smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](C)[C@H]([N-]S(=O)(=O)CC1(CC(=O)[O-])CC1)C(F)(F)F ZINC001594921370 982469322 /nfs/dbraw/zinc/46/93/22/982469322.db2.gz QCMSOODKAQMJES-SCZZXKLOSA-N -2 0 331.356 2.138 20 0 EEADRL CC[C@H](C)C[C@H](C)NC(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001594934904 982583929 /nfs/dbraw/zinc/58/39/29/982583929.db2.gz RKFROBXERUPADN-QZXIYUMKSA-N -2 0 340.420 2.018 20 0 EEADRL CCOC(=O)C(C)(C)ONC(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001596512131 984284143 /nfs/dbraw/zinc/28/41/43/984284143.db2.gz HHZSDQBFRUCNAV-UHFFFAOYSA-N -2 0 349.343 2.261 20 0 EEADRL CCOc1ccc(S(=O)(=O)C=C([O-])c2ccc(C(=O)[O-])o2)cc1 ZINC001597134743 986867998 /nfs/dbraw/zinc/86/79/98/986867998.db2.gz YSGFPNHBULXXEX-UHFFFAOYSA-N -2 0 338.337 2.033 20 0 EEADRL C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)c1ccccc1 ZINC001589462372 986916887 /nfs/dbraw/zinc/91/68/87/986916887.db2.gz OJJQUVYLKXEBSU-NOZJJQNGSA-N -2 0 341.323 2.120 20 0 EEADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C(C)(C)c1cccc2ccccc21 ZINC001589495961 987076960 /nfs/dbraw/zinc/07/69/60/987076960.db2.gz UCTBWPSQMYAXNF-LLVKDONJSA-N -2 0 349.408 2.037 20 0 EEADRL CCc1cccc(CC)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])n(C)n1 ZINC001597587268 988410892 /nfs/dbraw/zinc/41/08/92/988410892.db2.gz VLIPOOJIANNXNW-UHFFFAOYSA-N -2 0 337.401 2.044 20 0 EEADRL CCc1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)s1 ZINC001597660774 988728223 /nfs/dbraw/zinc/72/82/23/988728223.db2.gz DMHUVFTURSKHQT-UHFFFAOYSA-N -2 0 330.387 2.414 20 0 EEADRL CCc1ncsc1[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001597711750 988970924 /nfs/dbraw/zinc/97/09/24/988970924.db2.gz CASGWXZLQLCNQS-UHFFFAOYSA-N -2 0 326.399 2.346 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)n1 ZINC001597790775 989315566 /nfs/dbraw/zinc/31/55/66/989315566.db2.gz IYLSDUKQCBLMKL-UHFFFAOYSA-N -2 0 330.749 2.389 20 0 EEADRL CCn1cnc(S(=O)(=O)[N-]c2c(C)sc(C)c2C(=O)[O-])c1 ZINC001597920256 989845773 /nfs/dbraw/zinc/84/57/73/989845773.db2.gz ABPCVWKVAMKRFT-UHFFFAOYSA-N -2 0 329.403 2.080 20 0 EEADRL CC(C)(C)c1ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])s1 ZINC001590798870 990625366 /nfs/dbraw/zinc/62/53/66/990625366.db2.gz GQKPNKJZNKXMAU-UHFFFAOYSA-N -2 0 347.458 2.216 20 0 EEADRL C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cc(Br)c(F)cc1[O-] ZINC001594159137 998591143 /nfs/dbraw/zinc/59/11/43/998591143.db2.gz PPZNSEYKYNDDQM-RNFRBKRXSA-N -2 0 346.152 2.229 20 0 EEADRL CO[C@H](CS(=O)(=O)[N-]c1nc(C(=O)[O-])c(C2CC2)s1)C(C)C ZINC001599059570 999255236 /nfs/dbraw/zinc/25/52/36/999255236.db2.gz PDUNLVDIRVTUSM-SECBINFHSA-N -2 0 348.446 2.131 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c(O)c1 ZINC000442846792 539957658 /nfs/dbraw/zinc/95/76/58/539957658.db2.gz KCHZVLWAIFYYHU-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL CSc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000021520933 212227899 /nfs/dbraw/zinc/22/78/99/212227899.db2.gz CYXFDXZGLUXYOX-UHFFFAOYSA-N -2 0 326.399 2.246 20 0 EEADRL CN(CCCCNC(=O)c1ccccc1O)C(=O)c1ccccc1O ZINC000120853911 292258397 /nfs/dbraw/zinc/25/83/97/292258397.db2.gz WGDYFZQKMCTZIV-UHFFFAOYSA-N -2 0 342.395 2.380 20 0 EEADRL CNS(=O)(=O)c1cc(C(=O)Nc2cc(-c3ccccc3)on2)co1 ZINC000132154574 292397965 /nfs/dbraw/zinc/39/79/65/292397965.db2.gz PZQIPRUWQZQRJB-UHFFFAOYSA-N -2 0 347.352 2.095 20 0 EEADRL Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000105388440 159301544 /nfs/dbraw/zinc/30/15/44/159301544.db2.gz ARSJDHDNCIOKRG-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL CC(=O)N(C)c1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000345017573 161264588 /nfs/dbraw/zinc/26/45/88/161264588.db2.gz DKCQRXAFQPEEJO-UHFFFAOYSA-N -2 0 348.380 2.168 20 0 EEADRL CCc1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)cn1 ZINC000269475897 268687821 /nfs/dbraw/zinc/68/78/21/268687821.db2.gz MRXAUBNZHIADLT-UHFFFAOYSA-N -2 0 347.396 2.027 20 0 EEADRL Cc1cc(S(=O)(=O)NC[C@H]2CCC(F)(F)C2)sc1C(=O)[O-] ZINC000280389501 269358689 /nfs/dbraw/zinc/35/86/89/269358689.db2.gz MYZQETZPVINEDY-QMMMGPOBSA-N -2 0 339.385 2.468 20 0 EEADRL Cc1cc(C(=O)NCC2CCCCCC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000333199186 312111324 /nfs/dbraw/zinc/11/13/24/312111324.db2.gz QNCUEHQLFHBHGZ-UHFFFAOYSA-N -2 0 330.388 2.445 20 0 EEADRL CC[C@H](CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C)OC ZINC000421153276 314054792 /nfs/dbraw/zinc/05/47/92/314054792.db2.gz LUDHSVUPAYHVHD-GFCCVEGCSA-N -2 0 345.417 2.339 20 0 EEADRL CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC000436878299 315008417 /nfs/dbraw/zinc/00/84/17/315008417.db2.gz FJHJGLQJDUQXPS-UHFFFAOYSA-N -2 0 349.364 2.402 20 0 EEADRL COc1cc(OC)c([N-]S(=O)(=O)c2ccsc2)c(C(=O)[O-])c1 ZINC000551910122 318479710 /nfs/dbraw/zinc/47/97/10/318479710.db2.gz JVQVFRSVNDEPOK-UHFFFAOYSA-N -2 0 343.382 2.264 20 0 EEADRL CCc1onc(C)c1[N-]S(=O)(=O)c1cc(F)c(C)c(C(=O)[O-])c1 ZINC000567612991 319397045 /nfs/dbraw/zinc/39/70/45/319397045.db2.gz HJTCJBZPZMUJLF-UHFFFAOYSA-N -2 0 342.348 2.492 20 0 EEADRL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000399562471 323558126 /nfs/dbraw/zinc/55/81/26/323558126.db2.gz FWMWHZBSSOIRTI-CPCISQLKSA-N -2 0 339.335 2.128 20 0 EEADRL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000063911773 462681431 /nfs/dbraw/zinc/68/14/31/462681431.db2.gz FQPCSHSSACKJGD-UHFFFAOYSA-N -2 0 346.317 2.294 20 0 EEADRL COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000064479073 462706027 /nfs/dbraw/zinc/70/60/27/462706027.db2.gz XWQDLDMADMHEJO-UHFFFAOYSA-N -2 0 346.364 2.374 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC000066582884 462907156 /nfs/dbraw/zinc/90/71/56/462907156.db2.gz WUKKBNJAXFCIPY-UHFFFAOYSA-N -2 0 329.765 2.055 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cn(C)nc2C(C)C)cc1C(=O)[O-] ZINC000281006186 464297284 /nfs/dbraw/zinc/29/72/84/464297284.db2.gz NXIJISBZPQCZLJ-UHFFFAOYSA-N -2 0 337.401 2.351 20 0 EEADRL CCc1oncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000337874604 465646719 /nfs/dbraw/zinc/64/67/19/465646719.db2.gz TYZPNBZPPGZREK-UHFFFAOYSA-N -2 0 328.321 2.184 20 0 EEADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)CCC(F)(F)F ZINC000555588074 468485500 /nfs/dbraw/zinc/48/55/00/468485500.db2.gz NQVKMYFOWVIQNK-UHFFFAOYSA-N -2 0 345.270 2.227 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(Cl)cnc2N)ccc1C(=O)[O-] ZINC000362112686 466566483 /nfs/dbraw/zinc/56/64/83/466566483.db2.gz SCHIBRGDIBMNSU-UHFFFAOYSA-N -2 0 341.776 2.125 20 0 EEADRL O=C([O-])[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000316012167 466567437 /nfs/dbraw/zinc/56/74/37/466567437.db2.gz FVTDZVJRGXNXSY-KCJUWKMLSA-N -2 0 337.319 2.026 20 0 EEADRL O=C([O-])C[C@H]([N-]S(=O)(=O)CC(F)(F)F)c1ccc(Cl)cc1 ZINC000563080828 469163844 /nfs/dbraw/zinc/16/38/44/469163844.db2.gz MTZZXQJQRGUUSD-VIFPVBQESA-N -2 0 345.726 2.338 20 0 EEADRL Cn1ccc2c1cccc2[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000588833896 469169235 /nfs/dbraw/zinc/16/92/35/469169235.db2.gz WQSWSBIBGPHCFY-UHFFFAOYSA-N -2 0 333.369 2.016 20 0 EEADRL Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000738479373 578016601 /nfs/dbraw/zinc/01/66/01/578016601.db2.gz NRUYSKWFEWQOHD-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2c(C)nn(C(C)C)c2C)c(C(=O)[O-])[nH]1 ZINC000738462311 578016086 /nfs/dbraw/zinc/01/60/86/578016086.db2.gz KRTNCZJIVZNCCK-UHFFFAOYSA-N -2 0 340.405 2.216 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)ccc1O ZINC000740088398 576358188 /nfs/dbraw/zinc/35/81/88/576358188.db2.gz VQKUWHFTTGPLIU-UHFFFAOYSA-N -2 0 343.744 2.250 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2n[nH]c3ccccc32)c1C(=O)[O-] ZINC000738747284 578025611 /nfs/dbraw/zinc/02/56/11/578025611.db2.gz RJRXCEYZOMPZIV-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL Cc1ccsc1S(=O)(=O)[N-]c1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC000738798351 578027140 /nfs/dbraw/zinc/02/71/40/578027140.db2.gz IHUFYLBPSRWKDH-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000738799413 578027200 /nfs/dbraw/zinc/02/72/00/578027200.db2.gz WGLBQINJKGPAGL-UHFFFAOYSA-N -2 0 347.352 2.273 20 0 EEADRL O=C([O-])c1cc(Cl)cc(NC(=O)C(=O)[N-]OCc2ccccc2)c1 ZINC000739454049 578054230 /nfs/dbraw/zinc/05/42/30/578054230.db2.gz OGIYSPWMNXFWGP-UHFFFAOYSA-N -2 0 348.742 2.225 20 0 EEADRL O=C([O-])CCc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000739765353 578067010 /nfs/dbraw/zinc/06/70/10/578067010.db2.gz CNBJOVVVUNGBAW-UHFFFAOYSA-N -2 0 349.364 2.203 20 0 EEADRL CC(C)C[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000736403518 578201422 /nfs/dbraw/zinc/20/14/22/578201422.db2.gz GYJYMWYKPDALCW-GFCCVEGCSA-N -2 0 341.429 2.403 20 0 EEADRL CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1CCCCC(=O)[O-] ZINC000736750416 578221831 /nfs/dbraw/zinc/22/18/31/578221831.db2.gz KLELZIJSOZFNRS-OAHLLOKOSA-N -2 0 332.356 2.366 20 0 EEADRL CC[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)C(C)C ZINC000736892241 578228349 /nfs/dbraw/zinc/22/83/49/578228349.db2.gz LMRMROQVQQSLLY-NSHDSACASA-N -2 0 327.402 2.262 20 0 EEADRL CCCc1c(C(=O)[N-]S(=O)(=O)CC(C)(C)C)[nH]c(C)c1C(=O)[O-] ZINC000737043660 578234801 /nfs/dbraw/zinc/23/48/01/578234801.db2.gz LOMCPEGYAYXHBN-UHFFFAOYSA-N -2 0 344.433 2.080 20 0 EEADRL O=C([O-])c1cccc(CNC(=O)C[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000821369619 598181508 /nfs/dbraw/zinc/18/15/08/598181508.db2.gz VZXIFDFOCOVVQS-HNNXBMFYSA-N -2 0 327.336 2.260 20 0 EEADRL O=C([O-])c1ccccc1CCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000821377528 598197847 /nfs/dbraw/zinc/19/78/47/598197847.db2.gz LQCXWADSHIQXMZ-INIZCTEOSA-N -2 0 327.336 2.260 20 0 EEADRL O=C([O-])[C@H]1C[C@H]1C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000833181934 601186926 /nfs/dbraw/zinc/18/69/26/601186926.db2.gz UTRHVVTYFJGXLW-RITPCOANSA-N -2 0 334.553 2.467 20 0 EEADRL COc1cc(C(=O)[O-])cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1OC ZINC000831892776 600669511 /nfs/dbraw/zinc/66/95/11/600669511.db2.gz WFFCNCYDMVOGDO-WDEREUQCSA-N -2 0 349.339 2.008 20 0 EEADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000831945450 601200740 /nfs/dbraw/zinc/20/07/40/601200740.db2.gz HKKVBKNDNBNUPA-UHFFFAOYSA-N -2 0 348.789 2.304 20 0 EEADRL CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000829373056 601201745 /nfs/dbraw/zinc/20/17/45/601201745.db2.gz DFRZVAUZQAVJQR-UHFFFAOYSA-N -2 0 341.389 2.474 20 0 EEADRL Cc1nc(C)c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)s1 ZINC000088545614 601485513 /nfs/dbraw/zinc/48/55/13/601485513.db2.gz WFXPDODDQQPZFL-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)c[nH]1 ZINC000833303990 601576777 /nfs/dbraw/zinc/57/67/77/601576777.db2.gz FHMYHUDZLVSMTC-UHFFFAOYSA-N -2 0 333.325 2.169 20 0 EEADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@H](C(=O)[O-])C3CC3)n2)c1 ZINC000827129803 601758266 /nfs/dbraw/zinc/75/82/66/601758266.db2.gz UEMCBDIGWUILGY-HNNXBMFYSA-N -2 0 343.383 2.294 20 0 EEADRL O=C([O-])C1(CNC(=O)c2nn(-c3ccccc3F)cc2[O-])CCCC1 ZINC000833137077 601758596 /nfs/dbraw/zinc/75/85/96/601758596.db2.gz KQMBDKZLMZBCQF-UHFFFAOYSA-N -2 0 347.346 2.092 20 0 EEADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1 ZINC000833267586 601847930 /nfs/dbraw/zinc/84/79/30/601847930.db2.gz FEHPHPMUTBDBIS-UHFFFAOYSA-N -2 0 343.364 2.058 20 0 EEADRL COC(=O)c1csc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000831467246 602117877 /nfs/dbraw/zinc/11/78/77/602117877.db2.gz UGBNHGKDUHCSMK-UHFFFAOYSA-N -2 0 347.395 2.095 20 0 EEADRL O=C([O-])C1(O)CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CC1 ZINC000833785590 604747900 /nfs/dbraw/zinc/74/79/00/604747900.db2.gz GSCQJJLCXPMFPY-UHFFFAOYSA-N -2 0 349.770 2.251 20 0 EEADRL COc1ccc(C)nc1[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833730951 605012135 /nfs/dbraw/zinc/01/21/35/605012135.db2.gz MILVOSYTQYREGM-UHFFFAOYSA-N -2 0 336.369 2.039 20 0 EEADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000833741315 605126530 /nfs/dbraw/zinc/12/65/30/605126530.db2.gz HGDSKJUVUKLBLT-UHFFFAOYSA-N -2 0 329.403 2.402 20 0 EEADRL Cc1ccc(-c2ccc(C(=O)NCCOP(=O)([O-])[O-])cc2)o1 ZINC001191209183 1281250049 /nfs/dbraw/zinc/25/00/49/1281250049.db2.gz DHHYQDDMWARAFJ-UHFFFAOYSA-N -2 0 325.257 2.094 20 0 EEADRL O=C([O-])COc1ccc(S(=O)(=O)Nc2ccc([S-])cc2)cc1 ZINC001192713351 1282147360 /nfs/dbraw/zinc/14/73/60/1282147360.db2.gz YMZLQBPUHXJRNL-UHFFFAOYSA-N -2 0 339.394 2.240 20 0 EEADRL CCOC(=O)c1cc(NC(=O)c2cc(Cl)nc(Cl)c2[O-])[nH]n1 ZINC001193083910 1282303965 /nfs/dbraw/zinc/30/39/65/1282303965.db2.gz FPYAYPSPMMQNOX-UHFFFAOYSA-N -2 0 345.142 2.246 20 0 EEADRL COc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198746769 1285317292 /nfs/dbraw/zinc/31/72/92/1285317292.db2.gz LIHPORYFSRDFLG-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL O=C(NCCOP(=O)([O-])[O-])Nc1c(Cl)cccc1Cl ZINC001202109328 1289931973 /nfs/dbraw/zinc/93/19/73/1289931973.db2.gz XQMPZIJPAISUHR-UHFFFAOYSA-N -2 0 329.076 2.224 20 0 EEADRL O=P([O-])([O-])Oc1ccccc1-c1nc(-c2cc(F)ccn2)no1 ZINC001216746604 1297274576 /nfs/dbraw/zinc/27/45/76/1297274576.db2.gz ZEXLBTRSOIAYMY-UHFFFAOYSA-N -2 0 337.203 2.409 20 0 EEADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(CO)c2)c1 ZINC000315560937 1298457758 /nfs/dbraw/zinc/45/77/58/1298457758.db2.gz OFYPPMBZVVPNRG-UHFFFAOYSA-N -2 0 341.772 2.331 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccc3c2CS(=O)(=O)C3)c1 ZINC001242160460 1309622715 /nfs/dbraw/zinc/62/27/15/1309622715.db2.gz DUOCOWGQHWXDFA-UHFFFAOYSA-N -2 0 332.333 2.178 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(C(=O)NC3CC3)cn2)c1 ZINC001242159379 1309622996 /nfs/dbraw/zinc/62/29/96/1309622996.db2.gz NJACVIHYGQYFFA-UHFFFAOYSA-N -2 0 326.308 2.037 20 0 EEADRL CCOC(=O)c1c(F)cncc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242162841 1309623746 /nfs/dbraw/zinc/62/37/46/1309623746.db2.gz KPJGGVOOLXIVIG-UHFFFAOYSA-N -2 0 333.271 2.461 20 0 EEADRL CON(C)C(=O)c1cccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c1 ZINC001243132818 1309768150 /nfs/dbraw/zinc/76/81/50/1309768150.db2.gz KDKNWPNEQPEXBI-UHFFFAOYSA-N -2 0 329.308 2.383 20 0 EEADRL O=c1[n-][nH]c(=O)c2cccc([N-]S(=O)(=O)C=Cc3ccccc3)c12 ZINC001253038094 1317758328 /nfs/dbraw/zinc/75/83/28/1317758328.db2.gz JYHIXJPRUIZHAV-MDZDMXLPSA-N -2 0 343.364 2.454 20 0 EEADRL O=P([O-])([O-])OCCNC(F)(F)Sc1ccc(Cl)nc1 ZINC001157795308 1318866034 /nfs/dbraw/zinc/86/60/34/1318866034.db2.gz JVVKNJVDFKTVKQ-UHFFFAOYSA-N -2 0 334.668 2.076 20 0 EEADRL COc1cc(Cl)nc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001260184709 1319818426 /nfs/dbraw/zinc/81/84/26/1319818426.db2.gz YOUCTPKAMXRJHU-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)oc1Cl ZINC001602294559 1350487345 /nfs/dbraw/zinc/48/73/45/1350487345.db2.gz KRYZAVUPPNNVQN-LURJTMIESA-N -2 0 329.708 2.097 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3ccccc3n2)cn1 ZINC001608913639 1351792430 /nfs/dbraw/zinc/79/24/30/1351792430.db2.gz NPJCYJDAIJTSIN-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL O=C([O-])c1nccc2c1cccc2S(=O)(=O)[N-]c1ccc(F)cn1 ZINC001609000095 1351811486 /nfs/dbraw/zinc/81/14/86/1351811486.db2.gz JEDIHBZIBHKWFA-UHFFFAOYSA-N -2 0 347.327 2.268 20 0 EEADRL CCOc1cc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)ccc1C ZINC001610041334 1352148232 /nfs/dbraw/zinc/14/82/32/1352148232.db2.gz SPUJHRYWHDXQEG-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL CCc1[nH]c(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c(C)c1C(=O)[O-] ZINC001610053002 1352151124 /nfs/dbraw/zinc/15/11/24/1352151124.db2.gz OXWVJQDYEXYSET-RTXFEEFZSA-N -2 0 348.399 2.442 20 0 EEADRL O=C([O-])c1cncc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)c1 ZINC001610864240 1352287483 /nfs/dbraw/zinc/28/74/83/1352287483.db2.gz MMOZOGYMPMDVFU-UHFFFAOYSA-N -2 0 346.364 2.100 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cn2)c1 ZINC001610868022 1352288021 /nfs/dbraw/zinc/28/80/21/1352288021.db2.gz QVGBUDRWRVFBFX-UHFFFAOYSA-N -2 0 336.247 2.192 20 0 EEADRL Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c1O ZINC001600219144 1349995873 /nfs/dbraw/zinc/99/58/73/1349995873.db2.gz SBAYZRAHSNENNK-UHFFFAOYSA-N -2 0 342.760 2.248 20 0 EEADRL Cc1cc2c(cc1S(=O)(=O)[N-]c1sccc1C(=O)[O-])OCO2 ZINC001600308081 1350016722 /nfs/dbraw/zinc/01/67/22/1350016722.db2.gz WADIFLXZJSQBSG-UHFFFAOYSA-N -2 0 341.366 2.284 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ccc2[nH+]ccn2c1 ZINC001600654725 1350108680 /nfs/dbraw/zinc/10/86/80/1350108680.db2.gz NVXUGNZPFRHKEQ-UHFFFAOYSA-N -2 0 337.382 2.203 20 0 EEADRL O=C([O-])[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[O-])C1CCOCC1 ZINC001601394306 1350273169 /nfs/dbraw/zinc/27/31/69/1350273169.db2.gz KOMPGZKMFLOBEY-NSHDSACASA-N -2 0 348.182 2.309 20 0 EEADRL O=C([O-])[C@H](NC(=O)c1ccc2oc(=S)[n-]c2c1)c1ccccn1 ZINC001601402856 1350275708 /nfs/dbraw/zinc/27/57/08/1350275708.db2.gz ZENHZCDHEFXAQT-GFCCVEGCSA-N -2 0 329.337 2.067 20 0 EEADRL O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC001601581539 1350312174 /nfs/dbraw/zinc/31/21/74/1350312174.db2.gz JZLGWGRVMGDKEV-NTSWFWBYSA-N -2 0 334.553 2.467 20 0 EEADRL O=C([O-])c1cccc2[nH]c(NC(=O)c3n[n-]c4ccccc4c3=O)nc21 ZINC001601630982 1350323896 /nfs/dbraw/zinc/32/38/96/1350323896.db2.gz OGBWOFGVJCHCEZ-UHFFFAOYSA-N -2 0 349.306 2.162 20 0 EEADRL O=C([O-])C=Cc1ccc(S(=O)(=O)[N-]c2c[nH]nc2C2CC2)cc1 ZINC001601883111 1350389621 /nfs/dbraw/zinc/38/96/21/1350389621.db2.gz AKBUNYFKAUZUDB-FPYGCLRLSA-N -2 0 333.369 2.186 20 0 EEADRL O=C([O-])CC1(NC(=O)c2cccc(Br)c2[O-])CCC1 ZINC001601931557 1350400251 /nfs/dbraw/zinc/40/02/51/1350400251.db2.gz QDNRZIPYYMXOCS-UHFFFAOYSA-N -2 0 328.162 2.282 20 0 EEADRL O=C([O-])CCCCC(=O)N1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001601980365 1350410102 /nfs/dbraw/zinc/41/01/02/1350410102.db2.gz YMMLXQGYXDUMME-JTQLQIEISA-N -2 0 340.401 2.192 20 0 EEADRL O=C([O-])c1cccc(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC001602433172 1350518530 /nfs/dbraw/zinc/51/85/30/1350518530.db2.gz FBXAYIXXMGFIQQ-UHFFFAOYSA-N -2 0 339.756 2.157 20 0 EEADRL CC(=O)c1ccc(NC(=O)NC2(C(=O)[O-])CCC(C(=O)[O-])CC2)cc1 ZINC001603112150 1350642549 /nfs/dbraw/zinc/64/25/49/1350642549.db2.gz NRJSGRCEBNCOSA-UHFFFAOYSA-N -2 0 348.355 2.109 20 0 EEADRL C[C@@H](C(=O)[O-])[C@H](NS(=O)(=O)c1ccccc1[O-])c1ccccc1 ZINC001603191429 1350660075 /nfs/dbraw/zinc/66/00/75/1350660075.db2.gz RHAUERNRXHECSL-ABAIWWIYSA-N -2 0 335.381 2.133 20 0 EEADRL CC(C)=C[C@H]1[C@H](C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1(C)C ZINC001603706946 1350746859 /nfs/dbraw/zinc/74/68/59/1350746859.db2.gz PEEVLDKHQLLPAK-CMPLNLGQSA-N -2 0 341.385 2.021 20 0 EEADRL CC(C)Cc1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])cc1 ZINC001603848132 1350782075 /nfs/dbraw/zinc/78/20/75/1350782075.db2.gz ZHLUSMPHBPHXPC-VXGBXAGGSA-N -2 0 341.429 2.054 20 0 EEADRL CC1(C(=O)[O-])CN(C(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC001604502101 1350950248 /nfs/dbraw/zinc/95/02/48/1350950248.db2.gz MKFAXSPSCFIGRP-UHFFFAOYSA-N -2 0 348.580 2.355 20 0 EEADRL CC1=C(C)C[C@H](C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC001604614407 1350970104 /nfs/dbraw/zinc/97/01/04/1350970104.db2.gz FXGIPMDCRJPJRI-GFCCVEGCSA-N -2 0 337.397 2.326 20 0 EEADRL CO[C@H](C)c1cc(=O)n(-c2cc(C(=O)[O-])ccc2Br)[n-]1 ZINC001606659829 1351338747 /nfs/dbraw/zinc/33/87/47/1351338747.db2.gz NOKHWZDHTHHDGF-SSDOTTSWSA-N -2 0 341.161 2.275 20 0 EEADRL COc1cccc(C([O-])=CS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC001607303768 1351468999 /nfs/dbraw/zinc/46/89/99/1351468999.db2.gz RSXHEQXMRMHVEM-UHFFFAOYSA-N -2 0 334.349 2.050 20 0 EEADRL Cc1[nH]c(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c(C)c1C(=O)[O-] ZINC001607488496 1351503306 /nfs/dbraw/zinc/50/33/06/1351503306.db2.gz FFVDKYPUZXREGS-WOPDTQHZSA-N -2 0 334.372 2.188 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2scnc2C(=O)[O-])cccc1N(C)C ZINC001607554273 1351515048 /nfs/dbraw/zinc/51/50/48/1351515048.db2.gz OFJCSSXGBWMMNX-UHFFFAOYSA-N -2 0 341.414 2.017 20 0 EEADRL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c(C)c1 ZINC001607732145 1351548399 /nfs/dbraw/zinc/54/83/99/1351548399.db2.gz RDTWRUCQAYVCIX-UHFFFAOYSA-N -2 0 339.394 2.182 20 0 EEADRL Cc1ccc(NS(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1C(=O)[O-] ZINC001607809626 1351563701 /nfs/dbraw/zinc/56/37/01/1351563701.db2.gz XSXJFFGFZTZXGN-DGCLKSJQSA-N -2 0 341.385 2.078 20 0 EEADRL Cc1[nH]c(C(=O)[O-])cc1C([O-])=CS(=O)(=O)c1ccc(C)cc1C ZINC001607815640 1351564454 /nfs/dbraw/zinc/56/44/54/1351564454.db2.gz DRAHFESNBZGQMR-UHFFFAOYSA-N -2 0 335.381 2.295 20 0 EEADRL O=S(=O)([O-])c1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000244257322 1405705259 /nfs/dbraw/zinc/70/52/59/1405705259.db2.gz WKODZEKXWTZASG-UHFFFAOYSA-N -2 0 349.336 2.012 20 0 EEADRL O=P([O-])([O-])OCCNc1nc(-c2ccccc2)nc2[nH]ccc21 ZINC001168587084 790544695 /nfs/dbraw/zinc/54/46/95/790544695.db2.gz OIEUKAOCLBAOFT-UHFFFAOYSA-N -2 0 334.272 2.146 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N(CCC(=O)[O-])C(C)C)n1 ZINC000908965176 785884825 /nfs/dbraw/zinc/88/48/25/785884825.db2.gz YKIBRPWZZODBCD-UHFFFAOYSA-N -2 0 345.399 2.466 20 0 EEADRL Cc1ccc([C@@H]2C[C@H]2C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1C ZINC000910181032 786513913 /nfs/dbraw/zinc/51/39/13/786513913.db2.gz BRSILRMTYMHXCB-QXSJWSMHSA-N -2 0 345.395 2.183 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@H]2CCSc3ccccc32)C1 ZINC000910182722 786514512 /nfs/dbraw/zinc/51/45/12/786514512.db2.gz IYGGNJNGJIRYDN-KGYLQXTDSA-N -2 0 349.408 2.042 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)/C=C\c2ccc(Cl)cc2)C1 ZINC000910184096 786515757 /nfs/dbraw/zinc/51/57/57/786515757.db2.gz QTWAKBIKGPSSHD-XYJDCRHFSA-N -2 0 337.759 2.130 20 0 EEADRL CC(C)(C)c1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1 ZINC000910185352 786517472 /nfs/dbraw/zinc/51/74/72/786517472.db2.gz IAZBUJUREBASRF-GXTWGEPZSA-N -2 0 333.384 2.374 20 0 EEADRL CNC(=O)Cc1cccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176244868 798393045 /nfs/dbraw/zinc/39/30/45/798393045.db2.gz RTUJOEIGMIXIOD-UHFFFAOYSA-N -2 0 328.324 2.115 20 0 EEADRL COC(=O)c1cccc2[nH]c(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)nc21 ZINC001593897409 955833586 /nfs/dbraw/zinc/83/35/86/955833586.db2.gz NRWIXOVNRUGBJF-JTQLQIEISA-N -2 0 333.344 2.035 20 0 EEADRL O=C([O-])[C@@H]1CN(C(=O)c2cc(F)cc(Cl)c2[O-])C[C@H]1C1CC1 ZINC001574776578 957764393 /nfs/dbraw/zinc/76/43/93/957764393.db2.gz DDIZSJIXDIAODY-WDEREUQCSA-N -2 0 327.739 2.368 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c(Cl)n1 ZINC000193306344 959618736 /nfs/dbraw/zinc/61/87/36/959618736.db2.gz ZQDREJSUTZUXAF-UHFFFAOYSA-N -2 0 340.788 2.471 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)C[C@@H]2C[C@@H]2Cc2ccccc2)C1 ZINC001553010293 1125484237 /nfs/dbraw/zinc/48/42/37/1125484237.db2.gz GKZOHSMSGYRVMU-FXUDXRNXSA-N -2 0 345.395 2.032 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c(OC)c1 ZINC000314463526 963756442 /nfs/dbraw/zinc/75/64/42/963756442.db2.gz LZQHCRFZGLPKNF-UHFFFAOYSA-N -2 0 343.382 2.264 20 0 EEADRL C[C@@](CC(=O)[O-])(NC(=O)c1nn(-c2cccc(F)c2)cc1[O-])C1CC1 ZINC001592320107 977714114 /nfs/dbraw/zinc/71/41/14/977714114.db2.gz GAOINFXDDIQOGN-KRWDZBQOSA-N -2 0 347.346 2.090 20 0 EEADRL O=C([O-])C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C1CC1 ZINC000844786371 979398511 /nfs/dbraw/zinc/39/85/11/979398511.db2.gz AOQYZWIPABBFAM-VIFPVBQESA-N -2 0 339.747 2.150 20 0 EEADRL CCC1(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)CCC1 ZINC001595366647 980816352 /nfs/dbraw/zinc/81/63/52/980816352.db2.gz OEZJTFXBLCDXMJ-UHFFFAOYSA-N -2 0 345.804 2.423 20 0 EEADRL CCOCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cn2C)c1 ZINC001596949812 986104366 /nfs/dbraw/zinc/10/43/66/986104366.db2.gz KJCIJEBOYWZGRB-UHFFFAOYSA-N -2 0 338.385 2.061 20 0 EEADRL CCOCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC001596966484 986176299 /nfs/dbraw/zinc/17/62/99/986176299.db2.gz UZZYZEVLEISKAH-UHFFFAOYSA-N -2 0 325.342 2.315 20 0 EEADRL CCc1cc(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])ccc1C ZINC001597481205 987965864 /nfs/dbraw/zinc/96/58/64/987965864.db2.gz AFWSHXGWUJAAQF-GXTWGEPZSA-N -2 0 334.372 2.339 20 0 EEADRL CC(C)(CC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)C1CC1 ZINC001590621936 990304807 /nfs/dbraw/zinc/30/48/07/990304807.db2.gz VAMQCKKAFWTCPH-UHFFFAOYSA-N -2 0 325.386 2.016 20 0 EEADRL CC(C)(CCC(=O)[O-])NC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001590661056 990359902 /nfs/dbraw/zinc/35/99/02/990359902.db2.gz XSXZAGOGVORKNL-UHFFFAOYSA-N -2 0 330.287 2.428 20 0 EEADRL CC(C)(CCNC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)C(=O)[O-] ZINC001590679443 990391413 /nfs/dbraw/zinc/39/14/13/990391413.db2.gz ICJNKXWJUQDLRY-UHFFFAOYSA-N -2 0 333.344 2.489 20 0 EEADRL CC(C)(SCC(=O)[O-])C(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC001590906722 990869735 /nfs/dbraw/zinc/86/97/35/990869735.db2.gz ASHLOBPPABJLST-UHFFFAOYSA-N -2 0 343.426 2.470 20 0 EEADRL CC(C)Cn1[n-]c(CC(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1=O ZINC001591506893 992655504 /nfs/dbraw/zinc/65/55/04/992655504.db2.gz USLIWDDCQXCMNO-UHFFFAOYSA-N -2 0 345.399 2.031 20 0 EEADRL COCCN(CC(=O)[O-])C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC001599234087 997914958 /nfs/dbraw/zinc/91/49/58/997914958.db2.gz KOCNQXQHWNJRDT-UHFFFAOYSA-N -2 0 337.759 2.372 20 0 EEADRL COc1cc(C(=O)[O-])cc(NC(=O)c2cc(F)cc(F)c2[O-])c1O ZINC001599362606 998284358 /nfs/dbraw/zinc/28/43/58/998284358.db2.gz NPVLBPXEYCIWIE-UHFFFAOYSA-N -2 0 339.250 2.335 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c(O)c1 ZINC000350827643 539878598 /nfs/dbraw/zinc/87/85/98/539878598.db2.gz DPPNWTVXLDIOEX-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL CC(C)Oc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000296814484 294074005 /nfs/dbraw/zinc/07/40/05/294074005.db2.gz VCUNNLDFRVVJPL-UHFFFAOYSA-N -2 0 338.385 2.311 20 0 EEADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc(F)c2F)c1O ZINC000436825209 315002718 /nfs/dbraw/zinc/00/27/18/315002718.db2.gz KCXRGJWISXOMNS-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c1 ZINC000436893515 315009871 /nfs/dbraw/zinc/00/98/71/315009871.db2.gz NTQCMNSOSRBCBF-UHFFFAOYSA-N -2 0 333.365 2.380 20 0 EEADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-]C1(C(=O)[O-])CCC(C)(C)CC1 ZINC000543787148 318174403 /nfs/dbraw/zinc/17/44/03/318174403.db2.gz IRJROTPAWHQFML-MRVPVSSYSA-N -2 0 331.356 2.280 20 0 EEADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1ccccc1F ZINC000548246907 318367893 /nfs/dbraw/zinc/36/78/93/318367893.db2.gz DDNDCWIFQHWCKZ-XVKPBYJWSA-N -2 0 343.298 2.212 20 0 EEADRL CC(C)c1nc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cn1C ZINC000567021649 319340884 /nfs/dbraw/zinc/34/08/84/319340884.db2.gz SASCJOWBAXYOCX-UHFFFAOYSA-N -2 0 341.364 2.182 20 0 EEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(C)=O)c1 ZINC000013358822 462891881 /nfs/dbraw/zinc/89/18/81/462891881.db2.gz MIZDDAQNXNUDKF-UHFFFAOYSA-N -2 0 349.364 2.397 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c2c[nH]nc21 ZINC000072759647 463541353 /nfs/dbraw/zinc/54/13/53/463541353.db2.gz CVSBIXICPCHOLS-UHFFFAOYSA-N -2 0 335.341 2.272 20 0 EEADRL C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cn1 ZINC000187748928 464158486 /nfs/dbraw/zinc/15/84/86/464158486.db2.gz OXXLBASGHCLIJZ-QMMMGPOBSA-N -2 0 341.414 2.415 20 0 EEADRL CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c1 ZINC000338222091 465913308 /nfs/dbraw/zinc/91/33/08/465913308.db2.gz TYHBHANEVLHBRX-UHFFFAOYSA-N -2 0 327.337 2.102 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2sc(C)nc2C)c(C(=O)[O-])c1 ZINC000349073183 465951120 /nfs/dbraw/zinc/95/11/20/465951120.db2.gz GRHPIKJKAUETBR-UHFFFAOYSA-N -2 0 342.398 2.268 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])nc1C ZINC000315288174 466559444 /nfs/dbraw/zinc/55/94/44/466559444.db2.gz VNUNFGSYHFQGMA-UHFFFAOYSA-N -2 0 343.792 2.364 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c(O)c1 ZINC000315544348 466562656 /nfs/dbraw/zinc/56/26/56/466562656.db2.gz HVMHOUSNJHTSIU-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)s1 ZINC000362125042 466573393 /nfs/dbraw/zinc/57/33/93/466573393.db2.gz NEEFSQSODHNTNH-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)c(F)c1 ZINC000321259508 466620070 /nfs/dbraw/zinc/62/00/70/466620070.db2.gz YKKAIXGRTZSHPN-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000433530319 467337870 /nfs/dbraw/zinc/33/78/70/467337870.db2.gz NVFVJYMZONVETN-UHFFFAOYSA-N -2 0 337.353 2.290 20 0 EEADRL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccccc3O)c1)CCC2 ZINC000433800463 467354638 /nfs/dbraw/zinc/35/46/38/467354638.db2.gz DOCKWGRRMKIDGX-UHFFFAOYSA-N -2 0 333.365 2.380 20 0 EEADRL COC(=O)c1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000532110674 468098241 /nfs/dbraw/zinc/09/82/41/468098241.db2.gz AWNQIMWQQMVMQO-UHFFFAOYSA-N -2 0 347.395 2.095 20 0 EEADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cccc3n[nH]cc32)c1 ZINC000620889347 469939936 /nfs/dbraw/zinc/93/99/36/469939936.db2.gz JIILZHCCSFRVOQ-UHFFFAOYSA-N -2 0 347.352 2.076 20 0 EEADRL CO[C@@H](C)c1nc(=NC(=O)c2cc(SC)ccc2[O-])s[n-]1 ZINC000622019319 470149374 /nfs/dbraw/zinc/14/93/74/470149374.db2.gz SNMGQFIBOPHSFF-ZETCQYMHSA-N -2 0 325.415 2.347 20 0 EEADRL Cc1nn(C)c(C)c1-c1cc(=O)n(-c2ccc(C(=O)[O-])c(F)c2)[n-]1 ZINC000634632213 470271832 /nfs/dbraw/zinc/27/18/32/470271832.db2.gz LWCXWJJNVFQKJV-UHFFFAOYSA-N -2 0 330.319 2.015 20 0 EEADRL CO[C@H](CS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O)C1CCCC1 ZINC000656629030 471790283 /nfs/dbraw/zinc/79/02/83/471790283.db2.gz SNHSWXUMWZNOGL-CYBMUJFWSA-N -2 0 343.401 2.037 20 0 EEADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(O)c2)c1F ZINC000762462545 577701488 /nfs/dbraw/zinc/70/14/88/577701488.db2.gz JURXNDPOVSRETC-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL Cc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1 ZINC000756935779 577853467 /nfs/dbraw/zinc/85/34/67/577853467.db2.gz DPUKBLDAXMVAAU-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000321066619 597312915 /nfs/dbraw/zinc/31/29/15/597312915.db2.gz FDXDAQZXEMTCPM-UHFFFAOYSA-N -2 0 336.325 2.023 20 0 EEADRL COc1c(C)ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1C ZINC000387280021 599737220 /nfs/dbraw/zinc/73/72/20/599737220.db2.gz YKKKNLXSJUTAMF-UHFFFAOYSA-N -2 0 325.342 2.404 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2N2CCCC2)cc1C(=O)[O-] ZINC000392103559 600829031 /nfs/dbraw/zinc/82/90/31/600829031.db2.gz JZIPPRLMOPBGFM-UHFFFAOYSA-N -2 0 349.412 2.124 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)cc1C(=O)[O-] ZINC000833029173 601232243 /nfs/dbraw/zinc/23/22/43/601232243.db2.gz DWPNUIOWSCUUFI-UHFFFAOYSA-N -2 0 347.352 2.273 20 0 EEADRL CSC(C)(C)CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000133874742 601238854 /nfs/dbraw/zinc/23/88/54/601238854.db2.gz FTOZZJXIJAVNJD-UHFFFAOYSA-N -2 0 339.385 2.083 20 0 EEADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000833333010 601361970 /nfs/dbraw/zinc/36/19/70/601361970.db2.gz BNOOIXLNTVRBJL-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL C[C@H](CN(C)C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C(=O)[O-] ZINC000827443054 601387549 /nfs/dbraw/zinc/38/75/49/601387549.db2.gz XBNUJVGJRIZTMY-SECBINFHSA-N -2 0 337.763 2.024 20 0 EEADRL COc1cc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1F ZINC000832010654 602122296 /nfs/dbraw/zinc/12/22/96/602122296.db2.gz LATXNRRNLGSULN-UHFFFAOYSA-N -2 0 347.295 2.374 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2cnc(Cl)cc2C)cc1C(=O)[O-] ZINC000832886844 602159100 /nfs/dbraw/zinc/15/91/00/602159100.db2.gz NRDMCZDUKPJPED-UHFFFAOYSA-N -2 0 330.749 2.444 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2cc(CC(C)C)n[nH]2)cc1C(=O)[O-] ZINC000833027315 602212674 /nfs/dbraw/zinc/21/26/74/602212674.db2.gz QNFPEVDONZYFSI-UHFFFAOYSA-N -2 0 327.362 2.009 20 0 EEADRL CC(C)Oc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)[O-])c2)cc1 ZINC000833506869 605012106 /nfs/dbraw/zinc/01/21/06/605012106.db2.gz RQGJKDIXJMTUDA-UHFFFAOYSA-N -2 0 336.369 2.368 20 0 EEADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000833741429 605124625 /nfs/dbraw/zinc/12/46/25/605124625.db2.gz MJQXDPHRYREGER-UHFFFAOYSA-N -2 0 343.430 2.408 20 0 EEADRL COC(=O)CCS(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1[O-] ZINC001188392247 1279859839 /nfs/dbraw/zinc/85/98/39/1279859839.db2.gz CDVSZUUVXOVXGL-UHFFFAOYSA-N -2 0 328.173 2.004 20 0 EEADRL COc1cc(NC(=O)c2ccccc2OP(=O)([O-])[O-])c(C)cn1 ZINC001189873035 1280530838 /nfs/dbraw/zinc/53/08/38/1280530838.db2.gz ZKGYGTSQNWYDKZ-UHFFFAOYSA-N -2 0 338.256 2.122 20 0 EEADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2noc3cccnc32)cc1 ZINC001192100452 1281798681 /nfs/dbraw/zinc/79/86/81/1281798681.db2.gz QMNUTUFUCMLZMD-UHFFFAOYSA-N -2 0 347.352 2.041 20 0 EEADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cn(CC3CC3)cn2)cc1 ZINC001192114442 1281804809 /nfs/dbraw/zinc/80/48/09/1281804809.db2.gz YYLYRDFLFQXBNK-UHFFFAOYSA-N -2 0 349.412 2.111 20 0 EEADRL CCCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)on1 ZINC001195188971 1283473253 /nfs/dbraw/zinc/47/32/53/1283473253.db2.gz BCOIOGHQXZRVCK-UHFFFAOYSA-N -2 0 346.311 2.404 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nccc3cnccc32)cc1 ZINC001260222130 1319836431 /nfs/dbraw/zinc/83/64/31/1319836431.db2.gz MOLNXYXNKNLIFV-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL O=[P@@]([O-])(O)C1(Nc2ccc(Cl)c[n+]2[O-])Cc2ccccc2C1 ZINC001157158808 1318446138 /nfs/dbraw/zinc/44/61/38/1318446138.db2.gz BCFYJNRCTLUXMR-UHFFFAOYSA-N -2 0 340.703 2.058 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cccc3c2COC3)c1 ZINC001260215824 1319833672 /nfs/dbraw/zinc/83/36/72/1319833672.db2.gz BFXCAQVKPGSWHN-UHFFFAOYSA-N -2 0 337.328 2.355 20 0 EEADRL Cn1cc2c(cccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 ZINC001260214952 1319834282 /nfs/dbraw/zinc/83/42/82/1319834282.db2.gz CJNKBDTWMOAOMV-UHFFFAOYSA-N -2 0 349.343 2.211 20 0 EEADRL O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(F)c1[O-] ZINC001608485597 1351703123 /nfs/dbraw/zinc/70/31/23/1351703123.db2.gz KLYJCZFSOPRQNM-HNNXBMFYSA-N -2 0 342.326 2.438 20 0 EEADRL Cc1c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cn2)c2ccccc2n1C ZINC001600057788 1349963289 /nfs/dbraw/zinc/96/32/89/1349963289.db2.gz BNKBHRSBXGRYTQ-UHFFFAOYSA-N -2 0 345.380 2.381 20 0 EEADRL O=C([O-])[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N-]C(=O)C(F)(F)F ZINC001608541348 1351712602 /nfs/dbraw/zinc/71/26/02/1351712602.db2.gz TXYBPXFAMVMSAK-MRVPVSSYSA-N -2 0 345.195 2.259 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)cn1 ZINC001608913790 1351793097 /nfs/dbraw/zinc/79/30/97/1351793097.db2.gz FHVLJYQSUZMLLV-UHFFFAOYSA-N -2 0 345.336 2.236 20 0 EEADRL O=C([O-])c1ccsc1[N-]S(=O)(=O)c1cccc2c1OCCO2 ZINC001608957541 1351803270 /nfs/dbraw/zinc/80/32/70/1351803270.db2.gz HJZXXMHUZPLZSB-UHFFFAOYSA-N -2 0 341.366 2.018 20 0 EEADRL C[C@@H](CN(C)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)C(=O)[O-] ZINC001609741384 1352073799 /nfs/dbraw/zinc/07/37/99/1352073799.db2.gz UYUHVXCDLYMFTQ-LURJTMIESA-N -2 0 332.715 2.362 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2ccccc2)c(OC)c1C(=O)[O-] ZINC001610346284 1352208830 /nfs/dbraw/zinc/20/88/30/1352208830.db2.gz AABHMEFMBKMBQI-UHFFFAOYSA-N -2 0 337.353 2.203 20 0 EEADRL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])c1ccccc1 ZINC001610388659 1352214843 /nfs/dbraw/zinc/21/48/43/1352214843.db2.gz PHIXRZPIZZIYLK-SECBINFHSA-N -2 0 339.394 2.055 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1nnc(-c2ccco2)o1 ZINC001610441379 1352222870 /nfs/dbraw/zinc/22/28/70/1352222870.db2.gz DZENIAXSCRRWPG-UHFFFAOYSA-N -2 0 349.324 2.137 20 0 EEADRL O=C([O-])CCCCCCNC(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC001610769174 1352271561 /nfs/dbraw/zinc/27/15/61/1352271561.db2.gz VEUONGNLPJCJNL-UHFFFAOYSA-N -2 0 349.412 2.389 20 0 EEADRL O=C([O-])CCc1csc(NC(=O)NCc2ccc(C(=O)[O-])cc2)n1 ZINC001610778896 1352273279 /nfs/dbraw/zinc/27/32/79/1352273279.db2.gz XHUIJUDUSAGYIX-UHFFFAOYSA-N -2 0 349.368 2.180 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2noc(-c3ccccc3)n2)c1 ZINC001610849823 1352285269 /nfs/dbraw/zinc/28/52/69/1352285269.db2.gz AIIFAEOPMSRPNQ-UHFFFAOYSA-N -2 0 345.336 2.236 20 0 EEADRL C[C@H]1CCN(c2cccc(C(F)F)c2-c2nn[nH]n2)C[C@@H]1C(=O)[O-] ZINC001590273870 1349243258 /nfs/dbraw/zinc/24/32/58/1349243258.db2.gz BIOVAMNIBGLUIR-WPRPVWTQSA-N -2 0 337.330 2.351 20 0 EEADRL Cc1cc(NS(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])ccc1C(=O)[O-] ZINC001600281566 1350010052 /nfs/dbraw/zinc/01/00/52/1350010052.db2.gz HXLNOLIOMWDLBC-STQMWFEESA-N -2 0 341.385 2.078 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2scnc2C2CC2)oc1C(=O)[O-] ZINC001600300788 1350014581 /nfs/dbraw/zinc/01/45/81/1350014581.db2.gz FVGUSAKZZVXSJS-UHFFFAOYSA-N -2 0 328.371 2.421 20 0 EEADRL Cc1cccc(CO[N-]C(=O)Cn2cc(C(=O)[O-])c3ccccc32)n1 ZINC001600534632 1350075440 /nfs/dbraw/zinc/07/54/40/1350075440.db2.gz IZBRFOYQAUFAIK-UHFFFAOYSA-N -2 0 339.351 2.291 20 0 EEADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)c1C(=O)[O-] ZINC001600673808 1350114286 /nfs/dbraw/zinc/11/42/86/1350114286.db2.gz AZFWAPPLJMQEDS-UHFFFAOYSA-N -2 0 347.352 2.076 20 0 EEADRL O=C([O-])c1cc(NC(=O)c2ccc3oc(=O)nc-3[n-]2)cc2[nH]ccc21 ZINC001601586902 1350313534 /nfs/dbraw/zinc/31/35/34/1350313534.db2.gz YPDLWMPIYGHVJV-UHFFFAOYSA-N -2 0 338.279 2.360 20 0 EEADRL O=C([O-])CCCc1nnc(NC(=O)c2c3nc[nH]c3ccc2F)s1 ZINC001602003337 1350415629 /nfs/dbraw/zinc/41/56/29/1350415629.db2.gz DTFCFJVWGAXUJD-UHFFFAOYSA-N -2 0 349.347 2.213 20 0 EEADRL O=C([O-])CCN(CC(=O)[O-])C(=O)CCCc1ccc(Cl)cc1 ZINC001602004208 1350415832 /nfs/dbraw/zinc/41/58/32/1350415832.db2.gz UAGWHCVPOIJNSQ-UHFFFAOYSA-N -2 0 327.764 2.051 20 0 EEADRL O=C([O-])CCN(CC(=O)[O-])c1ncc(C(F)(F)F)cc1Cl ZINC001602004599 1350416501 /nfs/dbraw/zinc/41/65/01/1350416501.db2.gz HIJROAZUTMULDG-UHFFFAOYSA-N -2 0 326.658 2.120 20 0 EEADRL O=C([O-])Cn1ncc2ccc(NC(=O)Cc3ccc(O)c(F)c3)cc21 ZINC001602166590 1350456148 /nfs/dbraw/zinc/45/61/48/1350456148.db2.gz IFBMHKLIAXXJOP-UHFFFAOYSA-N -2 0 343.314 2.147 20 0 EEADRL O=C([O-])c1ccc(CNC(=O)c2n[n-]c3ccccc3c2=O)s1 ZINC001602343202 1350499824 /nfs/dbraw/zinc/49/98/24/1350499824.db2.gz MYYIAKDLRRXZEF-UHFFFAOYSA-N -2 0 329.337 2.025 20 0 EEADRL O=C([O-])c1cccc(C(=O)[N-]S(=O)(=O)/C=C/c2ccccc2)c1 ZINC001602433260 1350518555 /nfs/dbraw/zinc/51/85/55/1350518555.db2.gz LJKXOBCBJZLXDS-MDZDMXLPSA-N -2 0 331.349 2.115 20 0 EEADRL O=C([O-])c1coc(C(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC001602550795 1350543975 /nfs/dbraw/zinc/54/39/75/1350543975.db2.gz QJSLIYADBDCFHZ-UHFFFAOYSA-N -2 0 345.332 2.250 20 0 EEADRL C[C@H](C1CC1)n1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cn1 ZINC001604049634 1350838955 /nfs/dbraw/zinc/83/89/55/1350838955.db2.gz JHNHPOQKDRMGCD-MRVPVSSYSA-N -2 0 341.414 2.415 20 0 EEADRL Cc1ccc(-c2nn[nH]n2)cc1NC(=O)[C@H](CC(=O)[O-])CC(C)C ZINC001605794676 1351224486 /nfs/dbraw/zinc/22/44/86/1351224486.db2.gz GAWICEAPSRMFON-LBPRGKRZSA-N -2 0 331.376 2.251 20 0 EEADRL COc1cc(NC(=O)NC2CCC(C(=O)[O-])CC2)ccc1C(=O)[O-] ZINC001607176110 1351443379 /nfs/dbraw/zinc/44/33/79/1351443379.db2.gz HPRVEYUJCRUEFR-UHFFFAOYSA-N -2 0 336.344 2.158 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cnn(C3CCC3)c2)sc1C(=O)[O-] ZINC001607697529 1351541293 /nfs/dbraw/zinc/54/12/93/1351541293.db2.gz KIOZFJKNOARLLA-UHFFFAOYSA-N -2 0 341.414 2.477 20 0 EEADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1sc2cccc(F)c2c1Cl ZINC001628805324 1352543536 /nfs/dbraw/zinc/54/35/36/1352543536.db2.gz LHLSRPKXBDFYAB-UHFFFAOYSA-N -2 0 328.712 2.080 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)nc(C)n1 ZINC001188272648 1368292695 /nfs/dbraw/zinc/29/26/95/1368292695.db2.gz JYNFLHXTVKADIX-UHFFFAOYSA-N -2 0 341.776 2.246 20 0 EEADRL CCOC(=O)c1nc(NC(=O)c2c([O-])c(F)c(F)c(F)c2F)c[nH]1 ZINC001195290581 1368515039 /nfs/dbraw/zinc/51/50/39/1368515039.db2.gz KHLHQENNCDNDKJ-UHFFFAOYSA-N -2 0 347.224 2.101 20 0 EEADRL CC(C)Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])s1 ZINC000907732242 784833189 /nfs/dbraw/zinc/83/31/89/784833189.db2.gz UFKXEVARYPGXMX-ZYHUDNBSSA-N -2 0 339.413 2.337 20 0 EEADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(CCC(=O)[O-])C2CC2)n1 ZINC000908874066 785812413 /nfs/dbraw/zinc/81/24/13/785812413.db2.gz OFRNDLQSCQKNOG-UHFFFAOYSA-N -2 0 347.346 2.105 20 0 EEADRL CC[C@H](Cc1cccc(C)c1)C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910182472 786514338 /nfs/dbraw/zinc/51/43/38/786514338.db2.gz IQSJVKSQVHDIKB-PMPSAXMXSA-N -2 0 347.411 2.340 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@@H]2CCSc3ccccc32)C1 ZINC000910182724 786514679 /nfs/dbraw/zinc/51/46/79/786514679.db2.gz IYGGNJNGJIRYDN-RTXFEEFZSA-N -2 0 349.408 2.042 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cccc(Cl)c1Cl ZINC000910184827 786516562 /nfs/dbraw/zinc/51/65/62/786516562.db2.gz FVMPMJLFSRGEIQ-OIBJUYFYSA-N -2 0 346.166 2.383 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)CCc2cccc(Cl)c2)C1 ZINC000910187854 786520549 /nfs/dbraw/zinc/52/05/49/786520549.db2.gz HCMZNUHQMUPIHK-DGCLKSJQSA-N -2 0 339.775 2.049 20 0 EEADRL Cc1ccccc1[C@H](C)CC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910190317 786522879 /nfs/dbraw/zinc/52/28/79/786522879.db2.gz WETQMUSPJPPENR-UMVBOHGHSA-N -2 0 333.384 2.265 20 0 EEADRL CCCCc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1 ZINC000910192768 786524372 /nfs/dbraw/zinc/52/43/72/786524372.db2.gz UZEVGRVSWSWGKU-CABCVRRESA-N -2 0 333.384 2.419 20 0 EEADRL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000917735230 798340420 /nfs/dbraw/zinc/34/04/20/798340420.db2.gz UZKUMBJHGAZTPZ-UHFFFAOYSA-N -2 0 347.755 2.020 20 0 EEADRL O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000324131543 951060361 /nfs/dbraw/zinc/06/03/61/951060361.db2.gz IJTVMJQDRWRWHC-NSHDSACASA-N -2 0 339.269 2.235 20 0 EEADRL COC[C@@]1(C(=O)[O-])CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C1 ZINC001593964059 956525903 /nfs/dbraw/zinc/52/59/03/956525903.db2.gz WZIFKVKSTKYDMD-CQSZACIVSA-N -2 0 348.182 2.262 20 0 EEADRL O=C([O-])[C@@H](Cc1ccncc1)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC001594719999 956967986 /nfs/dbraw/zinc/96/79/86/956967986.db2.gz ZGUDOAHVCGGMHD-GFCCVEGCSA-N -2 0 338.722 2.005 20 0 EEADRL Cc1[nH]nc(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)c1[O-] ZINC001594441204 959271432 /nfs/dbraw/zinc/27/14/32/959271432.db2.gz UUGZOURCZJIJHZ-UHFFFAOYSA-N -2 0 329.356 2.142 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cc(C(C)C)[nH]n1 ZINC000226480042 959887480 /nfs/dbraw/zinc/88/74/80/959887480.db2.gz BBCXHZVTYRUCOD-UHFFFAOYSA-N -2 0 329.403 2.402 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cnccc2N2CCCC2)c1 ZINC001260184479 960696554 /nfs/dbraw/zinc/69/65/54/960696554.db2.gz NIHPYUYICDLKQD-UHFFFAOYSA-N -2 0 347.396 2.181 20 0 EEADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cncc(F)c2)c1 ZINC000313935329 963692752 /nfs/dbraw/zinc/69/27/52/963692752.db2.gz WGHADIFXUIORJJ-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])ccc1Cl ZINC000863965052 969312283 /nfs/dbraw/zinc/31/22/83/969312283.db2.gz DAZSAWFPEIHSDR-UHFFFAOYSA-N -2 0 333.793 2.098 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)c1 ZINC000319691227 970561048 /nfs/dbraw/zinc/56/10/48/970561048.db2.gz WOIGAXQOPVXPBL-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL O=C([O-])CC[C@H]1C[C@@H](C(=O)Nc2ccc3[n-]c(=S)oc3c2)CO1 ZINC001606112081 973330113 /nfs/dbraw/zinc/33/01/13/973330113.db2.gz SPJPYMCEVSLIRL-SCZZXKLOSA-N -2 0 336.369 2.325 20 0 EEADRL CC[C@H](CC(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1)C(C)C ZINC001595029818 979161621 /nfs/dbraw/zinc/16/16/21/979161621.db2.gz GUIKGUXQXXIRQI-QGXCKBJSSA-N -2 0 325.405 2.083 20 0 EEADRL CC[C@](NC(=O)c1cc(F)cc2n[nH]nc21)(C(=O)[O-])c1ccccc1 ZINC001595265513 980275308 /nfs/dbraw/zinc/27/53/08/980275308.db2.gz YAYHHWHYRQWRDY-QGZVFWFLSA-N -2 0 342.330 2.217 20 0 EEADRL CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]OCCCC(=O)[O-] ZINC001594945181 982631414 /nfs/dbraw/zinc/63/14/14/982631414.db2.gz OIQMNSRQNFCBHO-NWDGAFQWSA-N -2 0 346.424 2.229 20 0 EEADRL CCCn1nccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001596125975 983463875 /nfs/dbraw/zinc/46/38/75/983463875.db2.gz PDFSLGXLPKNUEL-UHFFFAOYSA-N -2 0 345.327 2.070 20 0 EEADRL C/C(=C\C(C)(C)C)C(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001588956479 984704197 /nfs/dbraw/zinc/70/41/97/984704197.db2.gz QJVQXZHZRSLSAB-VQHVLOKHSA-N -2 0 329.374 2.084 20 0 EEADRL CC(=CCl)CS(=O)(=O)C(C)=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C ZINC001588991523 984915089 /nfs/dbraw/zinc/91/50/89/984915089.db2.gz XWGFILMPBIGPPV-ONRRBMGISA-N -2 0 347.820 2.458 20 0 EEADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)CC=CCl ZINC001599947230 985548974 /nfs/dbraw/zinc/54/89/74/985548974.db2.gz BTTLYHQJIJBMKK-MOVJSRMASA-N -2 0 333.793 2.068 20 0 EEADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)[C@@H](C)C(C)C ZINC001599948566 985570078 /nfs/dbraw/zinc/57/00/78/985570078.db2.gz PYFCEAIUYJOMNG-QWRGUYRKSA-N -2 0 329.418 2.360 20 0 EEADRL CC(=O)c1ccccc1[N-]S(=O)(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC001589316702 986114472 /nfs/dbraw/zinc/11/44/72/986114472.db2.gz YCQQFVPWGRVBGL-HNNXBMFYSA-N -2 0 347.392 2.499 20 0 EEADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001589452892 986854479 /nfs/dbraw/zinc/85/44/79/986854479.db2.gz NGWAKPYEWIDXSC-QSLWVIQJSA-N -2 0 345.461 2.148 20 0 EEADRL CC(C)(C(=O)[O-])n1cc([N-]S(=O)(=O)c2cccc(Cl)c2)cn1 ZINC001589671272 987668997 /nfs/dbraw/zinc/66/89/97/987668997.db2.gz WPIDLXZNVSHFQE-UHFFFAOYSA-N -2 0 343.792 2.157 20 0 EEADRL CC(C)(C(=O)[O-])n1ccc(NC(=O)c2cc(F)cc(Cl)c2[O-])n1 ZINC001589677792 987698961 /nfs/dbraw/zinc/69/89/61/987698961.db2.gz GYLYUFVVSLJQDZ-UHFFFAOYSA-N -2 0 341.726 2.453 20 0 EEADRL CCc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cnc2n1CCCC2 ZINC001597465959 987910094 /nfs/dbraw/zinc/91/00/94/987910094.db2.gz KVANWLHVNAKHQV-UHFFFAOYSA-N -2 0 349.412 2.281 20 0 EEADRL CCc1ccc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)cc1OC ZINC001597556910 988292600 /nfs/dbraw/zinc/29/26/00/988292600.db2.gz QQMIPCAKLNOVLH-UHFFFAOYSA-N -2 0 336.369 2.152 20 0 EEADRL CCc1nn(C)cc1S(=O)(=O)[N-]c1c(C)sc(C)c1C(=O)[O-] ZINC001597722874 989003010 /nfs/dbraw/zinc/00/30/10/989003010.db2.gz AIJLBKDHGJRPNK-UHFFFAOYSA-N -2 0 343.430 2.160 20 0 EEADRL C[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)C[C@H]1CC(=O)[O-] ZINC001599858245 989123501 /nfs/dbraw/zinc/12/35/01/989123501.db2.gz XYQNAEASLVMQBV-YIKOMLBNSA-N -2 0 346.383 2.052 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1O ZINC001597786170 989309606 /nfs/dbraw/zinc/30/96/06/989309606.db2.gz XUHPWABDXQCDJX-UHFFFAOYSA-N -2 0 329.305 2.186 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)nc1 ZINC001599597827 993772021 /nfs/dbraw/zinc/77/20/21/993772021.db2.gz ASDUGQBBPWHONJ-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL C[C@H](O[C@@H](C)C(=O)Nc1cccc2cc(C(=O)[O-])sc21)C(=O)[O-] ZINC001593602867 995765521 /nfs/dbraw/zinc/76/55/21/995765521.db2.gz MAINNFGXIIXDDR-YUMQZZPRSA-N -2 0 337.353 2.416 20 0 EEADRL COC(=O)c1cc(NC(=O)CC(C)(C)CC(=O)[O-])cc(C(=O)[O-])c1 ZINC001598938005 997907761 /nfs/dbraw/zinc/90/77/61/997907761.db2.gz KQGQFPFFSHUXJB-UHFFFAOYSA-N -2 0 337.328 2.001 20 0 EEADRL CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2occc2C(=O)[O-])c1 ZINC001599041215 999119200 /nfs/dbraw/zinc/11/92/00/999119200.db2.gz OXMDWGZZHXXAJA-VIFPVBQESA-N -2 0 325.342 2.486 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2ccc(F)c(OC)c2)cc1C(=O)[O-] ZINC000323546374 539753856 /nfs/dbraw/zinc/75/38/56/539753856.db2.gz NZOCPXUZUAZVNY-UHFFFAOYSA-N -2 0 342.348 2.155 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-n2cccn2)c1 ZINC000075582303 202382529 /nfs/dbraw/zinc/38/25/29/202382529.db2.gz DZAHZUBBQVDQGO-UHFFFAOYSA-N -2 0 347.352 2.273 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)c1 ZINC000044917536 204309086 /nfs/dbraw/zinc/30/90/86/204309086.db2.gz LELXLDBQCVRDDF-UHFFFAOYSA-N -2 0 343.364 2.371 20 0 EEADRL CCN(c1cccc(F)c1)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000360516079 164327159 /nfs/dbraw/zinc/32/71/59/164327159.db2.gz RGAPVTIMKHXEEZ-UHFFFAOYSA-N -2 0 339.344 2.445 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1O ZINC000436646258 314983761 /nfs/dbraw/zinc/98/37/61/314983761.db2.gz FUCIDDJYYCVOMZ-UHFFFAOYSA-N -2 0 347.270 2.309 20 0 EEADRL C[C@@H](CC[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)CC(=O)[O-] ZINC000581946856 324348439 /nfs/dbraw/zinc/34/84/39/324348439.db2.gz FMSJPNHYLWSJBZ-ZETCQYMHSA-N -2 0 341.763 2.397 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cnn(C(C)C)c2)sc1C(=O)[O-] ZINC000061683280 462596046 /nfs/dbraw/zinc/59/60/46/462596046.db2.gz QVXWEJFSHYBXAI-UHFFFAOYSA-N -2 0 329.403 2.333 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2ccc3nccnc3c2)sc1C(=O)[O-] ZINC000048382559 462905031 /nfs/dbraw/zinc/90/50/31/462905031.db2.gz PQWAVGHKCPUYMR-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL CCCC[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000037908975 463445030 /nfs/dbraw/zinc/44/50/30/463445030.db2.gz JRMQCTGYPNQMCL-JTQLQIEISA-N -2 0 325.308 2.026 20 0 EEADRL CCCC[C@H]([N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(=O)[O-] ZINC000263515824 464121433 /nfs/dbraw/zinc/12/14/33/464121433.db2.gz ZTKBYFRTSVOPAL-QMMMGPOBSA-N -2 0 343.298 2.165 20 0 EEADRL COc1ccccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000353501498 465936658 /nfs/dbraw/zinc/93/66/58/465936658.db2.gz ZMJWYZVARNDMLV-UHFFFAOYSA-N -2 0 326.312 2.005 20 0 EEADRL Cc1cc2cccnc2c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000350316397 466460305 /nfs/dbraw/zinc/46/03/05/466460305.db2.gz ZPYAJYLLKCPEHN-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1F ZINC000315800997 466565808 /nfs/dbraw/zinc/56/58/08/466565808.db2.gz DJXQUDAPLULKLZ-UHFFFAOYSA-N -2 0 329.305 2.235 20 0 EEADRL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000399562473 467454754 /nfs/dbraw/zinc/45/47/54/467454754.db2.gz FWMWHZBSSOIRTI-HQJQHLMTSA-N -2 0 339.335 2.128 20 0 EEADRL CCCCc1cc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)n[nH]1 ZINC000616801429 469507372 /nfs/dbraw/zinc/50/73/72/469507372.db2.gz PULSFAWTPAUPHL-UHFFFAOYSA-N -2 0 342.359 2.062 20 0 EEADRL CC(C)O[C@]1(CS(=O)(=O)[N-]c2cccc(Cl)c2[O-])CCOC1 ZINC000634789350 470313119 /nfs/dbraw/zinc/31/31/19/470313119.db2.gz JWSCSHCGOFJKQO-CQSZACIVSA-N -2 0 349.836 2.371 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)NC[C@H](C(=O)[O-])C(C)C)n1 ZINC000656232097 471642861 /nfs/dbraw/zinc/64/28/61/471642861.db2.gz UXAUJBIUHDNDPU-ZDUSSCGKSA-N -2 0 345.399 2.227 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2cc(F)ccc2F)sc1C(=O)[O-] ZINC000738363633 578010771 /nfs/dbraw/zinc/01/07/71/578010771.db2.gz NPHSVOAVDRVSPX-UHFFFAOYSA-N -2 0 334.325 2.229 20 0 EEADRL CSc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)nc1 ZINC000738210780 576733369 /nfs/dbraw/zinc/73/33/69/576733369.db2.gz ABAUBTHMODFFFF-UHFFFAOYSA-N -2 0 342.373 2.442 20 0 EEADRL Cc1cccc(O)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000776747892 577466994 /nfs/dbraw/zinc/46/69/94/577466994.db2.gz QATAIQSIDRZQQU-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)c1O ZINC000761978151 577692694 /nfs/dbraw/zinc/69/26/94/577692694.db2.gz YYVLEKAVXWKPSS-UHFFFAOYSA-N -2 0 346.723 2.079 20 0 EEADRL Cc1ccccc1S(=O)(=O)[N-]C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000738786728 578026871 /nfs/dbraw/zinc/02/68/71/578026871.db2.gz YEUWLYWZESEHDO-UHFFFAOYSA-N -2 0 347.392 2.131 20 0 EEADRL O=C([O-])N1CCC[C@@H](NC(=O)c2cccc(Br)c2[O-])C1 ZINC000739388893 578051664 /nfs/dbraw/zinc/05/16/64/578051664.db2.gz QXBFAJZRCOJTOZ-MRVPVSSYSA-N -2 0 343.177 2.027 20 0 EEADRL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1cccs1 ZINC000736215714 578188628 /nfs/dbraw/zinc/18/86/28/578188628.db2.gz LSCQOGLGCHEWFZ-SSDOTTSWSA-N -2 0 345.423 2.116 20 0 EEADRL COc1ccc(NC(=O)c2n[n-]c3ccccc3c2=O)c(C(=O)[O-])c1 ZINC000738033009 578277147 /nfs/dbraw/zinc/27/71/47/578277147.db2.gz HMLNDHIYKMHZFZ-UHFFFAOYSA-N -2 0 339.307 2.295 20 0 EEADRL O=C([O-])c1ccc(F)c(NC(=O)c2n[n-]c3ccccc3c2=O)c1 ZINC000238163457 600483249 /nfs/dbraw/zinc/48/32/49/600483249.db2.gz OXSSBCLSTMNKAT-UHFFFAOYSA-N -2 0 327.271 2.013 20 0 EEADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])n[nH]1 ZINC000228328774 600576278 /nfs/dbraw/zinc/57/62/78/600576278.db2.gz UEGUGNDDVMQATI-UHFFFAOYSA-N -2 0 329.403 2.268 20 0 EEADRL CCCc1nnc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)s1 ZINC000829573999 601503396 /nfs/dbraw/zinc/50/33/96/601503396.db2.gz MZOCGAWWKXGHPR-UHFFFAOYSA-N -2 0 345.377 2.129 20 0 EEADRL CC(C)c1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)s1 ZINC000827168432 601503497 /nfs/dbraw/zinc/50/34/97/601503497.db2.gz FNLXGYZJIRXPIS-UHFFFAOYSA-N -2 0 345.377 2.300 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cnc3ccsc3c2)c(C(=O)[O-])[nH]1 ZINC000832898961 601782902 /nfs/dbraw/zinc/78/29/02/601782902.db2.gz ACBQCSCRQMNAHK-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL C[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1ccc2ccccc2c1 ZINC000826009436 601843185 /nfs/dbraw/zinc/84/31/85/601843185.db2.gz XYBDNSJSYWUJHR-GFCCVEGCSA-N -2 0 349.408 2.254 20 0 EEADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1n[nH]c2ccccc21 ZINC000833293971 601847991 /nfs/dbraw/zinc/84/79/91/601847991.db2.gz KDONEACPODYVLI-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL CC1(C)CCC(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)CC1 ZINC000828060192 604880563 /nfs/dbraw/zinc/88/05/63/604880563.db2.gz KJZBQGDBDDIQCK-UHFFFAOYSA-N -2 0 345.442 2.468 20 0 EEADRL CCC[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)C(C)C ZINC000833648884 605055292 /nfs/dbraw/zinc/05/52/92/605055292.db2.gz ZONNLCNKOVYPNA-AWEZNQCLSA-N -2 0 341.429 2.403 20 0 EEADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cnoc2C2CC2)cc1C(=O)[O-] ZINC000840918602 684924638 /nfs/dbraw/zinc/92/46/38/684924638.db2.gz VZITWMMUQWGSQE-UHFFFAOYSA-N -2 0 340.332 2.499 20 0 EEADRL CC(C)c1cccc(S(=O)(=O)[N-]C(=O)[C@@]2(C(=O)[O-])CC2(C)C)c1 ZINC000863956765 1197935930 /nfs/dbraw/zinc/93/59/30/1197935930.db2.gz SRSSYKLDBMRIJX-MRXNPFEDSA-N -2 0 339.413 2.116 20 0 EEADRL CC(C)(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000863965677 1197939585 /nfs/dbraw/zinc/93/95/85/1197939585.db2.gz LKPIHPZAVMZLBY-LLVKDONJSA-N -2 0 347.820 2.033 20 0 EEADRL C[C@H](O)c1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)ccc1F ZINC000795386976 1212053296 /nfs/dbraw/zinc/05/32/96/1212053296.db2.gz JFAIOHGODOUPDR-ZETCQYMHSA-N -2 0 345.373 2.440 20 0 EEADRL CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185906231 1278841659 /nfs/dbraw/zinc/84/16/59/1278841659.db2.gz OUPPODWLSJIXMU-UHFFFAOYSA-N -2 0 348.380 2.452 20 0 EEADRL CC(=O)c1ccncc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192110561 1281802996 /nfs/dbraw/zinc/80/29/96/1281802996.db2.gz XMLJVYCWZSNNAT-UHFFFAOYSA-N -2 0 348.380 2.102 20 0 EEADRL Cc1nc2c([N-]S(=O)(=O)c3ccccc3C(=O)[O-])cccn2c1C ZINC001198750070 1285327237 /nfs/dbraw/zinc/32/72/37/1285327237.db2.gz MSQMAPMNRPRXKL-UHFFFAOYSA-N -2 0 345.380 2.450 20 0 EEADRL COC(=O)c1nc(-c2ccccn2)[n-]c(=O)c1O[C@@H](C)C1=CC=C[CH]1 ZINC001234893742 1305047562 /nfs/dbraw/zinc/04/75/62/1305047562.db2.gz HGSSXAWVOICXOD-NSHDSACASA-N -2 0 338.343 2.499 20 0 EEADRL COc1ccccc1CO[N-]C(=O)CSc1n[n-]c(=S)s1 ZINC000799097121 1305155172 /nfs/dbraw/zinc/15/51/72/1305155172.db2.gz YVESZNRKSXKYKK-UHFFFAOYSA-N -2 0 343.455 2.176 20 0 EEADRL COc1cnc2c(c1)ncnc2-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242161012 1309622578 /nfs/dbraw/zinc/62/25/78/1309622578.db2.gz SVRILPKPURPWSK-UHFFFAOYSA-N -2 0 325.280 2.097 20 0 EEADRL COC(=O)c1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c2nccn2c1 ZINC001242160618 1309622990 /nfs/dbraw/zinc/62/29/90/1309622990.db2.gz FVTRRGMRKKNIBA-UHFFFAOYSA-N -2 0 340.291 2.184 20 0 EEADRL CS(=O)(=O)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1F ZINC001242162138 1309623906 /nfs/dbraw/zinc/62/39/06/1309623906.db2.gz FIAKFDOICWINMF-UHFFFAOYSA-N -2 0 338.312 2.293 20 0 EEADRL CON(C)C(=O)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001242162704 1309624004 /nfs/dbraw/zinc/62/40/04/1309624004.db2.gz JWVHVJNATYZBGU-UHFFFAOYSA-N -2 0 329.308 2.383 20 0 EEADRL CCN(CC)C(=O)c1ccc(-c2ccc(P(=O)([O-])[O-])cc2)cn1 ZINC001243771378 1309861823 /nfs/dbraw/zinc/86/18/23/1309861823.db2.gz QZTQFKSPCZRBTO-UHFFFAOYSA-N -2 0 334.312 2.034 20 0 EEADRL O=C([O-])CCC(=O)Nc1ccc(-c2ccccc2S(=O)(=O)[O-])cc1 ZINC001244032076 1309901065 /nfs/dbraw/zinc/90/10/65/1309901065.db2.gz JYPYZGJIQLEJKM-UHFFFAOYSA-N -2 0 349.364 2.404 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3nnsc32)cc1 ZINC001260228622 1319839904 /nfs/dbraw/zinc/83/99/04/1319839904.db2.gz OXTNPSNFBNNCJD-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL COc1ccc(Nc2nc[n-]c(=O)c2Br)cc1C(=O)[O-] ZINC001209900864 1325091794 /nfs/dbraw/zinc/09/17/94/1325091794.db2.gz KJBNAUCZAOULMV-UHFFFAOYSA-N -2 0 340.133 2.395 20 0 EEADRL Cc1ccc([C@@H]([N-]S(=O)(=O)C2(C(=O)[O-])CCC2)C(F)(F)F)o1 ZINC001600383823 1350036066 /nfs/dbraw/zinc/03/60/66/1350036066.db2.gz ADRGIIFSLSTFNN-SECBINFHSA-N -2 0 341.307 2.118 20 0 EEADRL CCCC[C@](C)(F)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001605236171 1351112308 /nfs/dbraw/zinc/11/23/08/1351112308.db2.gz WONSXAUVJPWHER-LBPRGKRZSA-N -2 0 337.394 2.170 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2cc3c[nH]nc3cc2C)cc1C(=O)[O-] ZINC001607709179 1351543781 /nfs/dbraw/zinc/54/37/81/1351543781.db2.gz FTNLXKXBVXPGOK-UHFFFAOYSA-N -2 0 335.341 2.272 20 0 EEADRL O=C([O-])[C@H]1CCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@H](C(=O)[O-])C1 ZINC001608632418 1351730135 /nfs/dbraw/zinc/73/01/35/1351730135.db2.gz SGDJENFJJCBGHG-CPCISQLKSA-N -2 0 344.726 2.261 20 0 EEADRL O=C([O-])CC1(NC(=O)c2ncc(Br)cc2[O-])CCCC1 ZINC001608686661 1351741940 /nfs/dbraw/zinc/74/19/40/1351741940.db2.gz PNIDOGXNBUXXKG-UHFFFAOYSA-N -2 0 343.177 2.067 20 0 EEADRL O=C([O-])C[C@@H]1CCCN(c2cc(C(F)(F)F)c(C(=O)[O-])cn2)C1 ZINC001608694556 1351743299 /nfs/dbraw/zinc/74/32/99/1351743299.db2.gz GFNIBYMFVXFIFO-QMMMGPOBSA-N -2 0 332.278 2.490 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)c1 ZINC001608895804 1351789271 /nfs/dbraw/zinc/78/92/71/1351789271.db2.gz IDZGEJAACQHUQR-UHFFFAOYSA-N -2 0 341.282 2.287 20 0 EEADRL CCC[C@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001609958567 1352130316 /nfs/dbraw/zinc/13/03/16/1352130316.db2.gz BTFOSAZEIVWBON-QWRGUYRKSA-N -2 0 343.401 2.308 20 0 EEADRL CCc1nc(NC(=O)c2s[n-]c(=O)c2Cl)sc1C(=O)[O-] ZINC001610073186 1352156159 /nfs/dbraw/zinc/15/61/59/1352156159.db2.gz XMHKMSDNWPUODZ-UHFFFAOYSA-N -2 0 333.778 2.472 20 0 EEADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])n2)s1 ZINC001610452586 1352224552 /nfs/dbraw/zinc/22/45/52/1352224552.db2.gz IOWVKUWFWSWUGC-UHFFFAOYSA-N -2 0 326.399 2.188 20 0 EEADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])n2)c(C)c1 ZINC001610452351 1352224569 /nfs/dbraw/zinc/22/45/69/1352224569.db2.gz HFSBZOMZFLKSCE-UHFFFAOYSA-N -2 0 334.397 2.435 20 0 EEADRL Cc1[nH]c(C([O-])=CS(=O)(=O)Cc2cccc(C)c2)c(C)c1C(=O)[O-] ZINC001610522573 1352238080 /nfs/dbraw/zinc/23/80/80/1352238080.db2.gz XJJKEKZDOKXJJO-UHFFFAOYSA-N -2 0 349.408 2.436 20 0 EEADRL O=C([O-])c1c(Cl)cccc1S(=O)(=O)[N-]C(=O)C1CCCC1 ZINC001610806130 1352277888 /nfs/dbraw/zinc/27/78/88/1352277888.db2.gz INQLYJVAYSHTQV-UHFFFAOYSA-N -2 0 331.777 2.033 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cn2)cn1 ZINC001610840587 1352283244 /nfs/dbraw/zinc/28/32/44/1352283244.db2.gz QWWZETMQDHCXOC-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)c1 ZINC001610866736 1352287798 /nfs/dbraw/zinc/28/77/98/1352287798.db2.gz DBZIEOJXPOWYEX-UHFFFAOYSA-N -2 0 347.352 2.023 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cn(C)c(Cl)n2)ccc(F)c1C(=O)[O-] ZINC001600054585 1349962585 /nfs/dbraw/zinc/96/25/85/1349962585.db2.gz KVEWCYYRMBCIKE-UHFFFAOYSA-N -2 0 347.755 2.020 20 0 EEADRL Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cn3)cc2s1 ZINC001600727645 1350122067 /nfs/dbraw/zinc/12/20/67/1350122067.db2.gz DSKCYTZOAVSLBF-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(N(C)C)c1C ZINC001600837297 1350148132 /nfs/dbraw/zinc/14/81/32/1350148132.db2.gz SQQUDDOPPOQFIA-UHFFFAOYSA-N -2 0 338.385 2.461 20 0 EEADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccccc2[O-])[C@H]2CCCC[C@H]12 ZINC001601830526 1350375689 /nfs/dbraw/zinc/37/56/89/1350375689.db2.gz OGPCNIRLLXYIEP-UPJWGTAASA-N -2 0 339.413 2.046 20 0 EEADRL O=C([O-])[C@H]1Cc2ccc(O)cc2CN1C(=O)c1ccc(Cl)c([O-])c1 ZINC001601865288 1350385044 /nfs/dbraw/zinc/38/50/44/1350385044.db2.gz KPLHNBFAMPLTGS-CQSZACIVSA-N -2 0 347.754 2.403 20 0 EEADRL O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2cncc(Cl)n2)cc1 ZINC001601883621 1350389734 /nfs/dbraw/zinc/38/97/34/1350389734.db2.gz DKVXEAWZDDUBOL-ZZXKWVIFSA-N -2 0 339.760 2.029 20 0 EEADRL O=C([O-])CC1CC(NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1 ZINC001601945005 1350402831 /nfs/dbraw/zinc/40/28/31/1350402831.db2.gz HTQSOODJXDTTLF-UHFFFAOYSA-N -2 0 349.774 2.214 20 0 EEADRL O=C([O-])CCCCC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001601980192 1350410037 /nfs/dbraw/zinc/41/00/37/1350410037.db2.gz MLWHHEAPTAVIFA-CYBMUJFWSA-N -2 0 331.727 2.366 20 0 EEADRL O=C([O-])CCCO[N-]C(=O)Cc1csc(-c2cccs2)n1 ZINC001601995644 1350413374 /nfs/dbraw/zinc/41/33/74/1350413374.db2.gz SALBJGRBIQMPPI-UHFFFAOYSA-N -2 0 326.399 2.327 20 0 EEADRL O=C([O-])CCCc1nnc([N-]C(=O)c2ocnc2C(F)F)s1 ZINC001602003450 1350416044 /nfs/dbraw/zinc/41/60/44/1350416044.db2.gz SWYOAPGXQVDUMN-UHFFFAOYSA-N -2 0 332.288 2.123 20 0 EEADRL O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001602328463 1350495307 /nfs/dbraw/zinc/49/53/07/1350495307.db2.gz UUJUFMIWZIOHND-ZETCQYMHSA-N -2 0 346.261 2.342 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(n2)CCC3)cc1F ZINC001602402373 1350510870 /nfs/dbraw/zinc/51/08/70/1350510870.db2.gz YJCVDYSHKKUASF-UHFFFAOYSA-N -2 0 336.344 2.208 20 0 EEADRL O=C([O-])c1ccc2c(c1)OCCN(C(=O)c1c([O-])cccc1F)C2 ZINC001602424272 1350516399 /nfs/dbraw/zinc/51/63/99/1350516399.db2.gz VVUFFBLMDDEESC-UHFFFAOYSA-N -2 0 331.299 2.264 20 0 EEADRL O=C([O-])c1sccc1[N-]S(=O)(=O)c1ccnn1C1CCC1 ZINC001602597100 1350553869 /nfs/dbraw/zinc/55/38/69/1350553869.db2.gz MNHMTAMKOMAGJE-UHFFFAOYSA-N -2 0 327.387 2.169 20 0 EEADRL CC(=O)c1cccc(NC(=O)NC2(C(=O)[O-])CCC(C(=O)[O-])CC2)c1 ZINC001603118259 1350644801 /nfs/dbraw/zinc/64/48/01/1350644801.db2.gz CXPSYRWECIHICS-UHFFFAOYSA-N -2 0 348.355 2.109 20 0 EEADRL CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@@H](C(=O)[O-])C2CCCC2)C1 ZINC001603249556 1350671184 /nfs/dbraw/zinc/67/11/84/1350671184.db2.gz BEEUXFVKHPJJEM-STQMWFEESA-N -2 0 325.405 2.227 20 0 EEADRL CC(C)=C[C@@H]1[C@H](C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1(C)C ZINC001603706949 1350746318 /nfs/dbraw/zinc/74/63/18/1350746318.db2.gz PEEVLDKHQLLPAK-ZYHUDNBSSA-N -2 0 341.385 2.021 20 0 EEADRL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)Cc1cccc(C(=O)[O-])c1 ZINC001604469207 1350944605 /nfs/dbraw/zinc/94/46/05/1350944605.db2.gz ZHERXUNHQFTBTB-LBPRGKRZSA-N -2 0 347.392 2.135 20 0 EEADRL CC(C)(C(=O)[O-])[C@@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccccc1 ZINC001604499045 1350949579 /nfs/dbraw/zinc/94/95/79/1350949579.db2.gz NHQDJAGFJAFDAZ-SCLBCKFNSA-N -2 0 348.399 2.345 20 0 EEADRL CC(C)(C(=O)[O-])[C@H](NC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccccc1 ZINC001604499043 1350949790 /nfs/dbraw/zinc/94/97/90/1350949790.db2.gz NHQDJAGFJAFDAZ-FZKQIMNGSA-N -2 0 348.399 2.345 20 0 EEADRL C[C@@H]1CN(C(=O)Nc2cccc(CCC(=O)[O-])c2)CC[C@@H]1C(=O)[O-] ZINC001604776035 1351000607 /nfs/dbraw/zinc/00/06/07/1351000607.db2.gz FFSTYNRPUVUSEQ-RISCZKNCSA-N -2 0 334.372 2.278 20 0 EEADRL COc1ccc(Cl)cc1C(F)(F)C(=O)[N-]OCCCC(=O)[O-] ZINC001607265443 1351461583 /nfs/dbraw/zinc/46/15/83/1351461583.db2.gz WXTNPXLUKPLAFP-UHFFFAOYSA-N -2 0 337.706 2.353 20 0 EEADRL Cc1cc(F)c(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)cc1C(=O)[O-] ZINC001607663272 1351535412 /nfs/dbraw/zinc/53/54/12/1351535412.db2.gz ZPOUSEGGSDCTHL-UHFFFAOYSA-N -2 0 343.298 2.452 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cccc(OCC(=O)[O-])c2)c(C)o1 ZINC001607708131 1351543448 /nfs/dbraw/zinc/54/34/48/1351543448.db2.gz YPIGYDZKBZDTCE-UHFFFAOYSA-N -2 0 325.342 2.161 20 0 EEADRL Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)s1 ZINC001607731778 1351548368 /nfs/dbraw/zinc/54/83/68/1351548368.db2.gz GGPFTASEKAFTKS-UHFFFAOYSA-N -2 0 339.394 2.015 20 0 EEADRL Cc1nn(C)cc1S(=O)(=O)[N-]c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001608005832 1351602684 /nfs/dbraw/zinc/60/26/84/1351602684.db2.gz TZEIMNYUWBBFBF-UHFFFAOYSA-N -2 0 347.755 2.020 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cn(C)nc2C2CC2)c1C(=O)[O-] ZINC001608043019 1351612474 /nfs/dbraw/zinc/61/24/74/1351612474.db2.gz GPZCHKLZBPUXSE-UHFFFAOYSA-N -2 0 339.373 2.006 20 0 EEADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)/C=C/C2CCCC2)c1 ZINC001608284042 1351663049 /nfs/dbraw/zinc/66/30/49/1351663049.db2.gz YQPQIQIIXUJAPQ-CMDGGOBGSA-N -2 0 337.397 2.077 20 0 EEADRL O=C([O-])c1c(Cl)cccc1S(=O)(=O)[N-]C(=O)C[C@@H]1C=CCC1 ZINC001608292874 1351665044 /nfs/dbraw/zinc/66/50/44/1351665044.db2.gz YCICOTUUASOVPW-SECBINFHSA-N -2 0 343.788 2.199 20 0 EEADRL COC(C)(C)[C@@H]1CCCN1C(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189877183 1368381917 /nfs/dbraw/zinc/38/19/17/1368381917.db2.gz HXRHRVVCHOMBPK-ZDUSSCGKSA-N -2 0 343.316 2.188 20 0 EEADRL O=C(c1ccccc1OP(=O)([O-])[O-])N1CC[C@@H](c2cccnc2)C1 ZINC001189876961 1368382663 /nfs/dbraw/zinc/38/26/63/1368382663.db2.gz AXQITQOQZRJJEO-CYBMUJFWSA-N -2 0 348.295 2.183 20 0 EEADRL Cc1ccc(Cl)c(S(=O)(=O)NC[C@H](F)C(=O)[O-])c1Cl ZINC000906006088 783637304 /nfs/dbraw/zinc/63/73/04/783637304.db2.gz WJXPSEIMMZTDKU-ZETCQYMHSA-N -2 0 330.164 2.003 20 0 EEADRL CCN(CC(=O)[O-])C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000908951600 785855603 /nfs/dbraw/zinc/85/56/03/785855603.db2.gz WQHJVNOYNTUGFM-UHFFFAOYSA-N -2 0 331.372 2.248 20 0 EEADRL O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000908990731 785921033 /nfs/dbraw/zinc/92/10/33/785921033.db2.gz XTFROBXMRWFYCA-SNVBAGLBSA-N -2 0 345.754 2.281 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc3c(c2)CCC=C3)C1 ZINC000910181651 786513276 /nfs/dbraw/zinc/51/32/76/786513276.db2.gz DAJWOAHEUMFJKX-CABCVRRESA-N -2 0 329.352 2.036 20 0 EEADRL CC(C)(C)c1cccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1 ZINC000910183534 786515632 /nfs/dbraw/zinc/51/56/32/786515632.db2.gz MGSMLHPHTMROSG-OCCSQVGLSA-N -2 0 333.384 2.374 20 0 EEADRL Cc1n[nH]c2cc(NC(=O)c3cc(S(=O)(=O)[O-])ccc3[O-])ccc12 ZINC001148926421 792814705 /nfs/dbraw/zinc/81/47/05/792814705.db2.gz NDUQVPVTVSXSDK-UHFFFAOYSA-N -2 0 347.352 2.076 20 0 EEADRL O=C([O-])c1cc(Nc2cnc(OCC3CC3)nc2)cc(C(=O)[O-])c1 ZINC001176238915 798390482 /nfs/dbraw/zinc/39/04/82/798390482.db2.gz VIGMFLNZCGHOMM-UHFFFAOYSA-N -2 0 329.312 2.405 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2snc3cccnc32)cc1C(=O)[O-] ZINC001184670878 802104852 /nfs/dbraw/zinc/10/48/52/802104852.db2.gz XADXETOUUYTMJB-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c(F)cc1F ZINC000806566349 811924422 /nfs/dbraw/zinc/92/44/22/811924422.db2.gz BTWWCBLEZCLNEK-JTQLQIEISA-N -2 0 341.282 2.129 20 0 EEADRL O=C([O-])CCc1cccc(NC(=O)C[C@]2(C(=O)[O-])CCSC2)c1 ZINC001611459552 971063166 /nfs/dbraw/zinc/06/31/66/971063166.db2.gz MQRUAPFWTFDSEJ-MRXNPFEDSA-N -2 0 337.397 2.240 20 0 EEADRL C[C@H](NC(=O)CC1(C(=O)[O-])CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589094454 955971484 /nfs/dbraw/zinc/97/14/84/955971484.db2.gz RYQBACLLLVYJBD-SDDRHHMPSA-N -2 0 325.405 2.273 20 0 EEADRL C[C@H]1CCC[C@H](CCNS(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000134713519 958856299 /nfs/dbraw/zinc/85/62/99/958856299.db2.gz VZZJXUPTHDDIFS-VHSXEESVSA-N -2 0 332.447 2.336 20 0 EEADRL C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001573711863 959854165 /nfs/dbraw/zinc/85/41/65/959854165.db2.gz PNGUZMONSLHLLX-WDEREUQCSA-N -2 0 347.346 2.042 20 0 EEADRL Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1C#N ZINC000392304638 972468042 /nfs/dbraw/zinc/46/80/42/972468042.db2.gz BIKARKOYWGEDDB-UHFFFAOYSA-N -2 0 346.364 2.131 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nnc(C(C)C)o1 ZINC001185869264 960528027 /nfs/dbraw/zinc/52/80/27/960528027.db2.gz QNIKVVURJNEQJF-UHFFFAOYSA-N -2 0 325.346 2.000 20 0 EEADRL CC(C)[C@H](NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])C(=O)[O-] ZINC001588957912 962604777 /nfs/dbraw/zinc/60/47/77/962604777.db2.gz ANOLBIVUDHHZLD-HNNXBMFYSA-N -2 0 331.324 2.304 20 0 EEADRL COC(=O)c1cccc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])c1 ZINC000314210632 963726049 /nfs/dbraw/zinc/72/60/49/963726049.db2.gz KMIDSXLBMPECDW-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2nnc(C3CC3)o2)c1 ZINC000315375215 963891561 /nfs/dbraw/zinc/89/15/61/963891561.db2.gz FFCJMYUBNSFJGU-UHFFFAOYSA-N -2 0 343.748 2.099 20 0 EEADRL CCc1ncc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])s1 ZINC001610450808 970746385 /nfs/dbraw/zinc/74/63/85/970746385.db2.gz BZAMNBCFKSZHPZ-UHFFFAOYSA-N -2 0 326.399 2.133 20 0 EEADRL CC(C)c1cccc(N2CC(=O)C(C(=O)[N-]OCCCC(=O)[O-])=N2)c1 ZINC001591983569 976604281 /nfs/dbraw/zinc/60/42/81/976604281.db2.gz ONBFFRCUYCWEGB-UHFFFAOYSA-N -2 0 347.371 2.228 20 0 EEADRL CC(C)n1ccc([N-]S(=O)(=O)CC2(C(=O)[O-])CCCCC2)n1 ZINC001592142616 976989250 /nfs/dbraw/zinc/98/92/50/976989250.db2.gz IHKBHHSXDADLLT-UHFFFAOYSA-N -2 0 329.422 2.241 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2O)c(F)cc1F ZINC000833306189 979146875 /nfs/dbraw/zinc/14/68/75/979146875.db2.gz CTDOYZSEFBBQMF-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL CCC(CC)S(=O)(=O)[N-]C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001595121897 979498420 /nfs/dbraw/zinc/49/84/20/979498420.db2.gz ZJHNPMUZPKJUAH-UHFFFAOYSA-N -2 0 333.793 2.286 20 0 EEADRL CCC1CCC(NC(=O)Cc2ccccc2C(=O)[O-])(C(=O)[O-])CC1 ZINC001595422341 981041492 /nfs/dbraw/zinc/04/14/92/981041492.db2.gz RLHPYIBDYZMVMA-UHFFFAOYSA-N -2 0 333.384 2.467 20 0 EEADRL CCCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001595529472 981364484 /nfs/dbraw/zinc/36/44/84/981364484.db2.gz UQUQZZFJGJRRMV-UHFFFAOYSA-N -2 0 339.291 2.009 20 0 EEADRL CCC[C@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001595622971 981715599 /nfs/dbraw/zinc/71/55/99/981715599.db2.gz YYSDHMVNHRBYDI-QWRGUYRKSA-N -2 0 343.401 2.308 20 0 EEADRL CCCOc1ccccc1[N-]S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001595974348 983201096 /nfs/dbraw/zinc/20/10/96/983201096.db2.gz SLBRILYJSSRDOG-UHFFFAOYSA-N -2 0 336.369 2.369 20 0 EEADRL CC(=O)c1cc(F)c([N-]C(=O)c2cc(C(=O)[O-])on2)c(F)c1F ZINC001589271005 985967949 /nfs/dbraw/zinc/96/79/49/985967949.db2.gz KORXIFZALPMRSW-UHFFFAOYSA-N -2 0 328.202 2.245 20 0 EEADRL CCc1[nH]c(C(=O)Nc2cccc(CC(=O)[O-])c2)c(C)c1C(=O)[O-] ZINC001597374258 987561090 /nfs/dbraw/zinc/56/10/90/987561090.db2.gz IOXXPXREBGETRE-UHFFFAOYSA-N -2 0 330.340 2.463 20 0 EEADRL CC(C)[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001590970369 991103289 /nfs/dbraw/zinc/10/32/89/991103289.db2.gz WZNYHAISXLFONA-QMMMGPOBSA-N -2 0 333.793 2.135 20 0 EEADRL CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC001591428400 992516948 /nfs/dbraw/zinc/51/69/48/992516948.db2.gz GPCGYDZQSZMVQL-ZDUSSCGKSA-N -2 0 349.362 2.288 20 0 EEADRL CC1(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCCCCC1 ZINC001593755227 996402343 /nfs/dbraw/zinc/40/23/43/996402343.db2.gz OTLONVOQKIUVQG-UHFFFAOYSA-N -2 0 329.374 2.143 20 0 EEADRL CC1(C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CCCCC1 ZINC001593755418 996403150 /nfs/dbraw/zinc/40/31/50/996403150.db2.gz QRSXJUCZSGROFI-UHFFFAOYSA-N -2 0 339.413 2.301 20 0 EEADRL COc1cc(/C=C/c2ccc(C(=O)[O-])cn2)ccc1OCC(=O)[O-] ZINC001599399606 997191177 /nfs/dbraw/zinc/19/11/77/997191177.db2.gz JEYRHIZWASNFEE-GORDUTHDSA-N -2 0 329.308 2.422 20 0 EEADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001599335050 997819596 /nfs/dbraw/zinc/81/95/96/997819596.db2.gz RODJJECWXIDTNK-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL COC(=O)c1ccc(NC(=O)CC2(CC(=O)[O-])CCC2)cc1C(=O)[O-] ZINC001598979052 998637150 /nfs/dbraw/zinc/63/71/50/998637150.db2.gz RWGDTYGDOKKHKP-UHFFFAOYSA-N -2 0 349.339 2.145 20 0 EEADRL COC(C)(C)c1nsc([N-]c2cnn(C(C)(C)C(=O)[O-])c2)n1 ZINC001599035945 999083136 /nfs/dbraw/zinc/08/31/36/999083136.db2.gz SELHPFSIWCCRDL-UHFFFAOYSA-N -2 0 325.394 2.179 20 0 EEADRL Cc1nc(N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)sc1C(=O)[O-] ZINC001550695858 1122033495 /nfs/dbraw/zinc/03/34/95/1122033495.db2.gz FZEAYASYWNAREN-NWDGAFQWSA-N -2 0 332.381 2.454 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2cc3n[nH]cc3c(C)c2)cc1C(=O)[O-] ZINC000348890692 539858284 /nfs/dbraw/zinc/85/82/84/539858284.db2.gz WKHSGQSYSTUSQC-UHFFFAOYSA-N -2 0 348.384 2.192 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000267423276 256058698 /nfs/dbraw/zinc/05/86/98/256058698.db2.gz LEFPFMHQDAPPLH-UHFFFAOYSA-N -2 0 337.401 2.347 20 0 EEADRL CCC[C@@H](NC(=O)C(F)(F)c1c(F)cccc1F)c1nnn[n-]1 ZINC000270386854 256130022 /nfs/dbraw/zinc/13/00/22/256130022.db2.gz HGDRVBYDMQIVDU-SECBINFHSA-N -2 0 331.273 2.227 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)cc1O ZINC000360629173 164355294 /nfs/dbraw/zinc/35/52/94/164355294.db2.gz LRYLZGPEBWCEIN-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)C[C@H](CC(C)C)OC ZINC000421143950 314052186 /nfs/dbraw/zinc/05/21/86/314052186.db2.gz BDGYOCYTXUCLKD-LBPRGKRZSA-N -2 0 345.417 2.196 20 0 EEADRL COc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)ccc1F ZINC000436845400 315005619 /nfs/dbraw/zinc/00/56/19/315005619.db2.gz DKEYSPLVOGYDMH-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)Nc2cccc(F)c2F)c1 ZINC000436893838 315009929 /nfs/dbraw/zinc/00/99/29/315009929.db2.gz OTOJNCSHZPOKLU-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1F ZINC000548593947 318397474 /nfs/dbraw/zinc/39/74/74/318397474.db2.gz VPAAPQFXTGLDHR-BYPYZUCNSA-N -2 0 333.234 2.356 20 0 EEADRL CC(C)(C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000565646619 319200955 /nfs/dbraw/zinc/20/09/55/319200955.db2.gz HTVHFPREMCLBHQ-UHFFFAOYSA-N -2 0 327.736 2.007 20 0 EEADRL CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1O ZINC000580516268 324077412 /nfs/dbraw/zinc/07/74/12/324077412.db2.gz FYADXBUERWJYHR-UHFFFAOYSA-N -2 0 335.337 2.094 20 0 EEADRL Cc1noc2ncc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(C)c3)cc12 ZINC000350941430 465042525 /nfs/dbraw/zinc/04/25/25/465042525.db2.gz OASUWJIQYKXHDQ-UHFFFAOYSA-N -2 0 347.352 2.339 20 0 EEADRL CCc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000339069313 465062335 /nfs/dbraw/zinc/06/23/35/465062335.db2.gz AXJTZNNTNHXZLM-UHFFFAOYSA-N -2 0 342.348 2.492 20 0 EEADRL Cc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000054795378 463262081 /nfs/dbraw/zinc/26/20/81/463262081.db2.gz IVUTZWQSPLABDR-UHFFFAOYSA-N -2 0 335.337 2.192 20 0 EEADRL O=C(c1cc(F)cc(Cl)c1[O-])N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000332261924 466476055 /nfs/dbraw/zinc/47/60/55/466476055.db2.gz FDTONTKJVZDKFZ-SSDOTTSWSA-N -2 0 341.726 2.293 20 0 EEADRL CCCc1ccc([N-]S(=O)(=O)c2cnc(C)n2C)c(C(=O)[O-])c1 ZINC000629287658 469489992 /nfs/dbraw/zinc/48/99/92/469489992.db2.gz ZSNXQMHHYCNCKW-UHFFFAOYSA-N -2 0 337.401 2.180 20 0 EEADRL O=C([O-])CC1(NC(=O)c2nn(-c3ccccc3)cc2[O-])CCCCC1 ZINC000663119522 472364977 /nfs/dbraw/zinc/36/49/77/472364977.db2.gz LBRHPNIAKAAINP-UHFFFAOYSA-N -2 0 343.383 2.485 20 0 EEADRL Cn1ccnc1-c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000739042379 576048590 /nfs/dbraw/zinc/04/85/90/576048590.db2.gz HFZBMXUDCQEQLV-UHFFFAOYSA-N -2 0 347.352 2.179 20 0 EEADRL O=C(NCc1ccc(-c2nn[nH]n2)cc1F)c1cc(Cl)ccc1O ZINC000738101333 576503110 /nfs/dbraw/zinc/50/31/10/576503110.db2.gz VNIGZFRSCGCKFY-UHFFFAOYSA-N -2 0 347.737 2.295 20 0 EEADRL O=C([O-])Nc1ccc(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)cc1 ZINC000738661164 578023181 /nfs/dbraw/zinc/02/31/81/578023181.db2.gz PYOAOZNNPMZRMO-UHFFFAOYSA-N -2 0 340.295 2.372 20 0 EEADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(F)c(NC(=O)[O-])c1 ZINC000738823921 578027971 /nfs/dbraw/zinc/02/79/71/578027971.db2.gz RFBDBKODHBPKNS-UHFFFAOYSA-N -2 0 328.325 2.056 20 0 EEADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cccc(Cl)c2C)c1C(=O)[O-] ZINC000738827622 578028030 /nfs/dbraw/zinc/02/80/30/578028030.db2.gz JCRYVAHZQMXPMR-UHFFFAOYSA-N -2 0 329.765 2.179 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccn(Cc3ccccc3)n2)o1 ZINC000740187406 578084711 /nfs/dbraw/zinc/08/47/11/578084711.db2.gz IKPPOJILGPBURA-UHFFFAOYSA-N -2 0 347.352 2.023 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)c(C)s1 ZINC000037461828 600051131 /nfs/dbraw/zinc/05/11/31/600051131.db2.gz OUBDPSAAXJCVBQ-UHFFFAOYSA-N -2 0 332.428 2.249 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])sc1C ZINC000049099159 600054239 /nfs/dbraw/zinc/05/42/39/600054239.db2.gz QERHYJWTXIWQPX-UHFFFAOYSA-N -2 0 330.387 2.469 20 0 EEADRL Cc1noc(C)c1S(=O)(=O)[N-]c1cc(Cl)cc(C(=O)[O-])c1 ZINC000166564449 600637077 /nfs/dbraw/zinc/63/70/77/600637077.db2.gz HRYFSXDKXCZDHW-UHFFFAOYSA-N -2 0 330.749 2.444 20 0 EEADRL CCCn1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cn1 ZINC000829585295 600686910 /nfs/dbraw/zinc/68/69/10/600686910.db2.gz MIKVPSOSZLIYTM-UHFFFAOYSA-N -2 0 343.792 2.446 20 0 EEADRL Cc1cc2cccnc2c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)c1 ZINC000832903817 600982905 /nfs/dbraw/zinc/98/29/05/600982905.db2.gz YEKXIEFYLWSUOJ-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2cccc(Cl)c2O)cc1C(=O)[O-] ZINC000833029857 601234367 /nfs/dbraw/zinc/23/43/67/601234367.db2.gz NENWKDWKMWUTON-UHFFFAOYSA-N -2 0 331.733 2.446 20 0 EEADRL Cc1nc(C)c(S(=O)(=O)[N-]c2cccc(OCC(=O)[O-])c2)s1 ZINC000832996258 601250190 /nfs/dbraw/zinc/25/01/90/601250190.db2.gz WXGGSSCBGNPGSA-UHFFFAOYSA-N -2 0 342.398 2.024 20 0 EEADRL COc1ccc(C)nc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000832264783 601362907 /nfs/dbraw/zinc/36/29/07/601362907.db2.gz HRENDMKRYLXGIH-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL CCCCC[C@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(=O)[O-] ZINC000829339413 601760782 /nfs/dbraw/zinc/76/07/82/601760782.db2.gz ITEXAVJYCFJRRL-ZDUSSCGKSA-N -2 0 349.362 2.480 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2O)c(F)cc1F ZINC000833303986 602308649 /nfs/dbraw/zinc/30/86/49/602308649.db2.gz DQUADUUUWOZJDK-UHFFFAOYSA-N -2 0 347.270 2.309 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2ccc(N(C)C(=O)[O-])cc2)nc1C ZINC000833683790 604510985 /nfs/dbraw/zinc/51/09/85/604510985.db2.gz YHURCEFLZFRSDU-UHFFFAOYSA-N -2 0 338.389 2.126 20 0 EEADRL CC1(C)CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000833561887 604607728 /nfs/dbraw/zinc/60/77/28/604607728.db2.gz YSKVBIAXQUKWBE-SECBINFHSA-N -2 0 345.442 2.468 20 0 EEADRL C/C(=C/c1ccc(Cl)cc1)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000833387045 604782907 /nfs/dbraw/zinc/78/29/07/604782907.db2.gz UBGWOAGZGXZPHN-KTKRTIGZSA-N -2 0 345.804 2.054 20 0 EEADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)CC2CCCCC2)cc1F ZINC000833149036 604884565 /nfs/dbraw/zinc/88/45/65/604884565.db2.gz XJWXBIDGLYNYPR-UHFFFAOYSA-N -2 0 343.376 2.164 20 0 EEADRL CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cncc(C(=O)[O-])c2)cc1 ZINC000833467236 604911901 /nfs/dbraw/zinc/91/19/01/604911901.db2.gz UXKPKSJAQJKUOT-UHFFFAOYSA-N -2 0 348.380 2.419 20 0 EEADRL CC1(C)Cc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)ccc2O1 ZINC000833562179 605187040 /nfs/dbraw/zinc/18/70/40/605187040.db2.gz LPEJYIQUFIICJA-UHFFFAOYSA-N -2 0 337.353 2.492 20 0 EEADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000863955826 1197936511 /nfs/dbraw/zinc/93/65/11/1197936511.db2.gz ZLVCYRZWAXKFNR-NSHDSACASA-N -2 0 327.402 2.085 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2O)ccc1F ZINC001186190242 1278983923 /nfs/dbraw/zinc/98/39/23/1278983923.db2.gz JBPRWCULPVYWKH-UHFFFAOYSA-N -2 0 347.270 2.309 20 0 EEADRL O=C(Nc1c[nH]c(Cl)cc1=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189870835 1280530244 /nfs/dbraw/zinc/53/02/44/1280530244.db2.gz FCFHWAJIZWRJCJ-UHFFFAOYSA-N -2 0 344.647 2.164 20 0 EEADRL O=C(N[C@H]1CCc2c1cccc2O)c1ccccc1OP(=O)([O-])[O-] ZINC001189905576 1280544053 /nfs/dbraw/zinc/54/40/53/1280544053.db2.gz VVQJKDXAADDSTQ-ZDUSSCGKSA-N -2 0 349.279 2.281 20 0 EEADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cccn3ccnc23)cc1 ZINC001192110571 1281802720 /nfs/dbraw/zinc/80/27/20/1281802720.db2.gz YAEBVHBAMAUYJN-UHFFFAOYSA-N -2 0 345.380 2.152 20 0 EEADRL COC(=O)c1cc(C(=O)Nc2ccc3[n-]c(=S)sc3c2)n[n-]1 ZINC001194288868 1282981321 /nfs/dbraw/zinc/98/13/21/1282981321.db2.gz PHAAYZBILYLPFX-UHFFFAOYSA-N -2 0 334.382 2.347 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cnc2ccccc2n1 ZINC001198740955 1285314109 /nfs/dbraw/zinc/31/41/09/1285314109.db2.gz LAHGZDPYGANJAN-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL Cc1cc(C)c(-c2noc(-c3cc(S(=O)(=O)[O-])ccc3[O-])n2)cn1 ZINC001215454439 1296909763 /nfs/dbraw/zinc/90/97/63/1296909763.db2.gz ZZVRWPBKRMMCKN-UHFFFAOYSA-N -2 0 347.352 2.368 20 0 EEADRL Cc1cc(=O)n(-c2ccc(-c3cc(F)c(C(=O)[O-])c(F)c3)nn2)[n-]1 ZINC001239340077 1309086368 /nfs/dbraw/zinc/08/63/68/1309086368.db2.gz VMYSPWZVXQYGPE-UHFFFAOYSA-N -2 0 332.266 2.233 20 0 EEADRL O=C([O-])/C=C/c1cccc(-c2cccc3c2NC(=O)[N-]S3(=O)=O)c1 ZINC001240549989 1309358369 /nfs/dbraw/zinc/35/83/69/1309358369.db2.gz KWSCNVDXRPAAEZ-BQYQJAHWSA-N -2 0 344.348 2.275 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cc(N3CCSCC3)ncn2)c1 ZINC001242160502 1309623002 /nfs/dbraw/zinc/62/30/02/1309623002.db2.gz LKRJBJUKASMNKD-UHFFFAOYSA-N -2 0 345.380 2.093 20 0 EEADRL CC1(c2ccnc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2)OCCO1 ZINC001242161409 1309624212 /nfs/dbraw/zinc/62/42/12/1309624212.db2.gz ZPHJKEFPTSQQBK-UHFFFAOYSA-N -2 0 329.308 2.365 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cncc(N3CCCC3)c2)cc1 ZINC001260223553 1319837390 /nfs/dbraw/zinc/83/73/90/1319837390.db2.gz UPKQPRWZEARKDR-UHFFFAOYSA-N -2 0 347.396 2.181 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)no2)c1 ZINC001260183927 1319818941 /nfs/dbraw/zinc/81/89/41/1319818941.db2.gz IXMPWEZYJXHTKX-UHFFFAOYSA-N -2 0 345.336 2.236 20 0 EEADRL CC(C)n1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC001260210298 1319833097 /nfs/dbraw/zinc/83/30/97/1319833097.db2.gz FYJNUQYFJBACCK-UHFFFAOYSA-N -2 0 327.337 2.102 20 0 EEADRL COc1cc(C(C)=O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260228105 1319839764 /nfs/dbraw/zinc/83/97/64/1319839764.db2.gz AAJHZRAJGXUXJP-UHFFFAOYSA-N -2 0 349.364 2.397 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCC3)cc1C(=O)[O-] ZINC000385967533 1322656810 /nfs/dbraw/zinc/65/68/10/1322656810.db2.gz IBZAORIFONXSBW-UHFFFAOYSA-N -2 0 338.410 2.439 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])n2)cc1Cl ZINC001600483328 1350062340 /nfs/dbraw/zinc/06/23/40/1350062340.db2.gz ZXEWCWJBFRJIHO-UHFFFAOYSA-N -2 0 340.788 2.471 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCC[C@H](C)C2)oc1C(=O)[O-] ZINC001600298013 1350014368 /nfs/dbraw/zinc/01/43/68/1350014368.db2.gz XXWUKPZNQDEJNN-GXSJLCMTSA-N -2 0 343.401 2.308 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2O)c(C(=O)[O-])c1 ZINC001600483329 1350062010 /nfs/dbraw/zinc/06/20/10/1350062010.db2.gz ZXTZEOGOSHRAKQ-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL O=C([O-])c1cnc(S(=O)(=O)Cc2c(Cl)cccc2Cl)[n-]1 ZINC001602233284 1350472197 /nfs/dbraw/zinc/47/21/97/1350472197.db2.gz CIOGLVZHQMDIIA-UHFFFAOYSA-N -2 0 335.168 2.389 20 0 EEADRL CCc1cnc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])o1 ZINC001605839787 1351233220 /nfs/dbraw/zinc/23/32/20/1351233220.db2.gz GOLLGXKBNXRXME-UHFFFAOYSA-N -2 0 330.749 2.389 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc2c[nH]nc2cc1C ZINC001607708936 1351543653 /nfs/dbraw/zinc/54/36/53/1351543653.db2.gz BQGWQOAFGUTGSX-UHFFFAOYSA-N -2 0 335.341 2.272 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)[nH]n2)oc1C(=O)[O-] ZINC001607708276 1351544001 /nfs/dbraw/zinc/54/40/01/1351544001.db2.gz NCGSSSTTZRFWJB-UHFFFAOYSA-N -2 0 327.362 2.108 20 0 EEADRL O=C([O-])C=Cc1ccc(S(=O)(=O)[N-]c2n[nH]c3ccccc32)cc1 ZINC001608663265 1351737012 /nfs/dbraw/zinc/73/70/12/1351737012.db2.gz VFPNHNFAXBVLIN-JXMROGBWSA-N -2 0 343.364 2.462 20 0 EEADRL O=C([O-])c1cc(CN[C@@H](C(=O)[O-])c2ccsc2)n2c1CCCC2 ZINC001608843106 1351776857 /nfs/dbraw/zinc/77/68/57/1351776857.db2.gz RVAJDJPMQAARCJ-CQSZACIVSA-N -2 0 334.397 2.500 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)NCCc2ccccc2)oc1Cl ZINC001608861545 1351780705 /nfs/dbraw/zinc/78/07/05/1351780705.db2.gz YWMZDPAYLFIWFK-UHFFFAOYSA-N -2 0 329.761 2.152 20 0 EEADRL O=C([O-])c1ccc(CCNS(=O)(=O)c2ccc(C(F)F)o2)cc1 ZINC001608880369 1351784818 /nfs/dbraw/zinc/78/48/18/1351784818.db2.gz HYZNGLNNOIJGOS-UHFFFAOYSA-N -2 0 345.323 2.436 20 0 EEADRL O=C([O-])c1cncc(-c2ccc(C(=O)N3CCC[C@@H]3C(=O)[O-])cc2)c1 ZINC001608979039 1351807107 /nfs/dbraw/zinc/80/71/07/1351807107.db2.gz GMROSXOKFRNAEL-OAHLLOKOSA-N -2 0 340.335 2.136 20 0 EEADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CC1CCC(C(C)(C)C)CC1 ZINC001609642404 1352048396 /nfs/dbraw/zinc/04/83/96/1352048396.db2.gz QDIFSAOZNGXCKB-VOMCLLRMSA-N -2 0 333.450 2.148 20 0 EEADRL CN(C)c1cc(C(=O)[O-])ccc1NC(=O)NCCC(C)(C)C(=O)[O-] ZINC001610104333 1352162859 /nfs/dbraw/zinc/16/28/59/1352162859.db2.gz GZUVKLMLBKFMSK-UHFFFAOYSA-N -2 0 337.376 2.073 20 0 EEADRL COc1cccc(OC)c1S(=O)(=O)[N-]c1ccsc1C(=O)[O-] ZINC001610358739 1352210285 /nfs/dbraw/zinc/21/02/85/1352210285.db2.gz KHCGZFBFUUARKA-UHFFFAOYSA-N -2 0 343.382 2.264 20 0 EEADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc3ccccn3n2)c1C ZINC001600115057 1349973854 /nfs/dbraw/zinc/97/38/54/1349973854.db2.gz GXFHCOLSQBQAOR-UHFFFAOYSA-N -2 0 345.380 2.450 20 0 EEADRL Cc1oc(C(=O)[O-])cc1C(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC001600478119 1350061405 /nfs/dbraw/zinc/06/14/05/1350061405.db2.gz LCCFRKUEXWVWPN-UHFFFAOYSA-N -2 0 337.353 2.022 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]C(=O)c2cc(C(=O)[O-])co2)c1Cl ZINC001600551335 1350080291 /nfs/dbraw/zinc/08/02/91/1350080291.db2.gz QTZSTQIWBXTFAA-UHFFFAOYSA-N -2 0 343.744 2.058 20 0 EEADRL Nc1c(NC(=O)c2nn(-c3ccccc3)cc2[O-])cccc1C(=O)[O-] ZINC001601208464 1350231379 /nfs/dbraw/zinc/23/13/79/1350231379.db2.gz ATEKXEYNLSGKBI-UHFFFAOYSA-N -2 0 338.323 2.111 20 0 EEADRL O=C([O-])[C@H](NC(=O)c1s[n-]c(=O)c1Cl)c1cc(F)ccc1F ZINC001601395643 1350273774 /nfs/dbraw/zinc/27/37/74/1350273774.db2.gz DZFBNZVQYYZUGZ-MRVPVSSYSA-N -2 0 348.714 2.336 20 0 EEADRL O=C([O-])[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccc(O)cc1 ZINC001601396416 1350273781 /nfs/dbraw/zinc/27/37/81/1350273781.db2.gz UUAPWGBCLIALEV-LBPRGKRZSA-N -2 0 341.241 2.071 20 0 EEADRL O=C([O-])[C@@H](C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1)C1CCCC1 ZINC001601648565 1350327938 /nfs/dbraw/zinc/32/79/38/1350327938.db2.gz MMNWRQZEPDYXIG-ZIAGYGMSSA-N -2 0 337.347 2.001 20 0 EEADRL O=C([O-])C1(CS(=O)(=O)[N-]c2cccc(Cl)c2[O-])CCCC1 ZINC001601715691 1350346249 /nfs/dbraw/zinc/34/62/49/1350346249.db2.gz AMRRBQBBBCDVJX-UHFFFAOYSA-N -3 0 333.793 2.432 20 0 EEADRL O=C([O-])CC1(CC(=O)Nc2cc3c(cc2C(=O)[O-])OCO3)CCCC1 ZINC001601913329 1350395624 /nfs/dbraw/zinc/39/56/24/1350395624.db2.gz GEIGOONOEDITQZ-UHFFFAOYSA-N -2 0 349.339 2.477 20 0 EEADRL O=C([O-])CC[C@H]1CCCN(C(=O)NCC2(CC(=O)[O-])CCCC2)C1 ZINC001601975371 1350408760 /nfs/dbraw/zinc/40/87/60/1350408760.db2.gz GVJDAQSUVFRDKP-CYBMUJFWSA-N -2 0 340.420 2.308 20 0 EEADRL O=C([O-])CCC1CCN(C(=O)Nc2ccc(CC(=O)[O-])cc2)CC1 ZINC001601977917 1350409842 /nfs/dbraw/zinc/40/98/42/1350409842.db2.gz JMVFLICCOZXKPR-UHFFFAOYSA-N -2 0 334.372 2.422 20 0 EEADRL O=C([O-])c1ccc(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)c(F)c1 ZINC001602324733 1350494449 /nfs/dbraw/zinc/49/44/49/1350494449.db2.gz AMYFOZQRELKBKN-UHFFFAOYSA-N -2 0 343.270 2.120 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2cccc(OCCF)c2)c1 ZINC001602557754 1350546136 /nfs/dbraw/zinc/54/61/36/1350546136.db2.gz CZEPMTLVROFTGX-UHFFFAOYSA-N -2 0 329.305 2.127 20 0 EEADRL CC(C)C[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001603768602 1350762262 /nfs/dbraw/zinc/76/22/62/1350762262.db2.gz RTPYKKMBZQNLII-NSHDSACASA-N -2 0 327.402 2.013 20 0 EEADRL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cn1 ZINC001603951229 1350812728 /nfs/dbraw/zinc/81/27/28/1350812728.db2.gz NKYUAOZVNWJZHC-UHFFFAOYSA-N -2 0 342.398 2.429 20 0 EEADRL CC[C@@](C)(C(=O)[O-])N(CC1CC1)S(=O)(=O)c1cc([O-])cc(F)c1 ZINC001604888844 1351025361 /nfs/dbraw/zinc/02/53/61/1351025361.db2.gz HBBJUKXRYUNQPB-HNNXBMFYSA-N -2 0 345.392 2.185 20 0 EEADRL CCC[C@@H](NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C(=O)[O-] ZINC001605354077 1351143157 /nfs/dbraw/zinc/14/31/57/1351143157.db2.gz PMJGSVXIJHEFOA-LLVKDONJSA-N -2 0 337.763 2.214 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccc(N(C)C)nc2)sc1C(=O)[O-] ZINC001607696949 1351541673 /nfs/dbraw/zinc/54/16/73/1351541673.db2.gz SALFIBJRUGNWEQ-UHFFFAOYSA-N -2 0 341.414 2.017 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2noc3c2CCCC3)c1C(=O)[O-] ZINC001607863361 1351574218 /nfs/dbraw/zinc/57/42/18/1351574218.db2.gz XRVRWKHGAWTINL-UHFFFAOYSA-N -2 0 336.369 2.361 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1nc2ccc(F)cc2o1 ZINC001198730869 1368641374 /nfs/dbraw/zinc/64/13/74/1368641374.db2.gz ZBSFRPCZLRGEAK-UHFFFAOYSA-N -2 0 336.300 2.466 20 0 EEADRL O=P([O-])([O-])OCCNc1ncc2ccc(C(F)(F)F)cc2n1 ZINC001168587437 790542057 /nfs/dbraw/zinc/54/20/57/790542057.db2.gz QQEZQAFCCJTSTH-UHFFFAOYSA-N -2 0 337.194 2.170 20 0 EEADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000906987435 784302573 /nfs/dbraw/zinc/30/25/73/784302573.db2.gz KYKONDPOFFZRCV-AWEZNQCLSA-N -2 0 337.397 2.044 20 0 EEADRL CCCc1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])s1 ZINC000910182640 786514240 /nfs/dbraw/zinc/51/42/40/786514240.db2.gz JMVKRPNQTQZEIB-GXSJLCMTSA-N -2 0 325.386 2.091 20 0 EEADRL O=C(Nc1ccccc1[S-])c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148926292 792814302 /nfs/dbraw/zinc/81/43/02/792814302.db2.gz MBPDRSMGFWYCHJ-UHFFFAOYSA-N -3 0 325.367 2.180 20 0 EEADRL O=C([O-])c1cc(Nc2ccc3c(c2)CCNC3=O)cc(C(=O)[O-])c1 ZINC001176241888 798392424 /nfs/dbraw/zinc/39/24/24/798392424.db2.gz CMEGEAFKONWCQY-UHFFFAOYSA-N -2 0 326.308 2.113 20 0 EEADRL O=C([O-])c1cc(Nc2ccc3c(c2)C(=O)NCC3)cc(C(=O)[O-])c1 ZINC001176244198 798392854 /nfs/dbraw/zinc/39/28/54/798392854.db2.gz ICQRIGJNIMCLBD-UHFFFAOYSA-N -2 0 326.308 2.113 20 0 EEADRL Cc1[nH]c(=O)c(CNc2ccc(P(=O)([O-])[O-])cc2)c2c1CCCC2 ZINC001169404776 803725099 /nfs/dbraw/zinc/72/50/99/803725099.db2.gz YVWKZIYWTOFFEV-UHFFFAOYSA-N -2 0 348.339 2.390 20 0 EEADRL O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1)C1CCCC1 ZINC000863951910 939243451 /nfs/dbraw/zinc/24/34/51/939243451.db2.gz XDGZKNXCNUCWLM-GFCCVEGCSA-N -2 0 345.804 2.036 20 0 EEADRL CS(=O)(=O)[N-]c1ccccc1C(=O)OCc1cccc(C(=O)[O-])c1 ZINC001611078321 970881978 /nfs/dbraw/zinc/88/19/78/970881978.db2.gz CBWANOPZSPGPPN-UHFFFAOYSA-N -2 0 349.364 2.113 20 0 EEADRL O=C([O-])c1cncc(NC(=O)c2nn(-c3ccccc3F)cc2[O-])c1 ZINC001574822608 957923654 /nfs/dbraw/zinc/92/36/54/957923654.db2.gz ZDFFDSSNUBAFAK-UHFFFAOYSA-N -2 0 342.286 2.063 20 0 EEADRL CC(C)c1csc([N-]S(=O)(=O)c2scnc2C(=O)[O-])n1 ZINC000134697290 958853226 /nfs/dbraw/zinc/85/32/26/958853226.db2.gz MVLTWXWXZUVBLF-UHFFFAOYSA-N -2 0 333.416 2.222 20 0 EEADRL C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1cccc(Br)c1[O-] ZINC001594218217 959350124 /nfs/dbraw/zinc/35/01/24/959350124.db2.gz JMUQWGZOXZGAPV-GMSGAONNSA-N -2 0 328.162 2.232 20 0 EEADRL Cc1cnn(CC2CC2)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185879322 960530366 /nfs/dbraw/zinc/53/03/66/960530366.db2.gz MUDWSSAEYSCHLK-UHFFFAOYSA-N -2 0 349.412 2.409 20 0 EEADRL O=C([O-])c1sccc1S(=O)(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000315551695 963913726 /nfs/dbraw/zinc/91/37/26/963913726.db2.gz XDQBKZIXPMGOKY-UHFFFAOYSA-N -2 0 345.329 2.084 20 0 EEADRL O=C([O-])c1ccc(CNC(=O)c2cc(F)c(F)c([O-])c2F)cc1 ZINC000319936580 968001385 /nfs/dbraw/zinc/00/13/85/968001385.db2.gz DKFHLQBBDAIQHL-UHFFFAOYSA-N -2 0 325.242 2.438 20 0 EEADRL O=C([O-])[C@@H]1CC(C(=O)[N-]OC2CCCCC2)=NN1c1ccccc1 ZINC001605820735 972547456 /nfs/dbraw/zinc/54/74/56/972547456.db2.gz AOUPINVBMMKKLI-HNNXBMFYSA-N -2 0 331.372 2.086 20 0 EEADRL CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)CCCC(=O)[O-] ZINC001603672797 974053266 /nfs/dbraw/zinc/05/32/66/974053266.db2.gz UIYVGEQZMRFHBN-UHFFFAOYSA-N -2 0 337.401 2.390 20 0 EEADRL CC(C)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)no1 ZINC001591935622 976453707 /nfs/dbraw/zinc/45/37/07/976453707.db2.gz FZBQXPNQZIYMIJ-UHFFFAOYSA-N -2 0 328.321 2.436 20 0 EEADRL CC(C)n1cnc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)n1 ZINC001592145568 977004400 /nfs/dbraw/zinc/00/44/00/977004400.db2.gz NYEISONAFAKYKD-UHFFFAOYSA-N -2 0 344.780 2.011 20 0 EEADRL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(F)F ZINC001595310768 980469682 /nfs/dbraw/zinc/46/96/82/980469682.db2.gz MPDWWOWZDURYCL-MRVPVSSYSA-N -2 0 345.726 2.499 20 0 EEADRL CCC/C(C)=C/C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001595564821 981452999 /nfs/dbraw/zinc/45/29/99/981452999.db2.gz ACBYNHRQJMTZNE-PKNBQFBNSA-N -2 0 325.386 2.077 20 0 EEADRL CCC[C@@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001595622970 981715651 /nfs/dbraw/zinc/71/56/51/981715651.db2.gz YYSDHMVNHRBYDI-MNOVXSKESA-N -2 0 343.401 2.308 20 0 EEADRL CCN(C(=O)c1nn(-c2ccc(F)cc2C)cc1[O-])C(C)(C)C(=O)[O-] ZINC001596174676 983540992 /nfs/dbraw/zinc/54/09/92/983540992.db2.gz HZHBKRLRGHTGBK-UHFFFAOYSA-N -2 0 349.362 2.351 20 0 EEADRL C[C@@H](C(=O)[O-])C(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC001589452299 986848031 /nfs/dbraw/zinc/84/80/31/986848031.db2.gz KUWLMHUXPLVFMN-MRVPVSSYSA-N -2 0 334.353 2.091 20 0 EEADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)CCC1CCCCCC1 ZINC001589454396 986877802 /nfs/dbraw/zinc/87/78/02/986877802.db2.gz VPOGXZFPKYYRAU-VXGBXAGGSA-N -2 0 333.450 2.292 20 0 EEADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cc2c(cccc2Cl)s1 ZINC001589492594 987064205 /nfs/dbraw/zinc/06/42/05/987064205.db2.gz VIUSUBGXAYIDLC-LURJTMIESA-N -2 0 347.801 2.087 20 0 EEADRL C[C@@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)cc1 ZINC001589523150 987186197 /nfs/dbraw/zinc/18/61/97/987186197.db2.gz JXWRTJSEVFFUBG-LLVKDONJSA-N -2 0 349.412 2.208 20 0 EEADRL CC(C)(C(=O)N(CCC(=O)[O-])CC(=O)[O-])c1ccccc1Cl ZINC001589560649 987315667 /nfs/dbraw/zinc/31/56/67/987315667.db2.gz LFQFOTYEDKAHJR-UHFFFAOYSA-N -2 0 327.764 2.006 20 0 EEADRL CCc1nc(C)c([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)s1 ZINC001597661383 988731710 /nfs/dbraw/zinc/73/17/10/988731710.db2.gz PNKVZTKDTCRVEU-UHFFFAOYSA-N -2 0 342.398 2.219 20 0 EEADRL CCc1nn(C)cc1[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001597724151 989016779 /nfs/dbraw/zinc/01/67/79/989016779.db2.gz ZQDLFDQXTJETRI-UHFFFAOYSA-N -2 0 343.792 2.135 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c2ncccc12 ZINC001599598577 993781680 /nfs/dbraw/zinc/78/16/80/993781680.db2.gz CDCJDMPJRNRQGD-UHFFFAOYSA-N -2 0 348.336 2.335 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cc(O)ccc2C(=O)[O-])c(F)c1 ZINC001599617107 994030497 /nfs/dbraw/zinc/03/04/97/994030497.db2.gz ZREDEJKINKEEHH-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL CO[C@@H](CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cn1)C1CCCCC1 ZINC001599060751 999263278 /nfs/dbraw/zinc/26/32/78/999263278.db2.gz WQRYCGIUXAHRAL-ZDUSSCGKSA-N -2 0 342.417 2.117 20 0 EEADRL O=C([O-])CCCNC(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001608714645 1124108897 /nfs/dbraw/zinc/10/88/97/1124108897.db2.gz NESPOCQWLOZWRD-UHFFFAOYSA-N -2 0 345.149 2.134 20 0 EEADRL O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)[C@H]2CC[C@H]2C(=O)[O-])C1 ZINC001550906907 1124169652 /nfs/dbraw/zinc/16/96/52/1124169652.db2.gz PGSFNDIUPLNFOC-KWCYVHTRSA-N -2 0 331.368 2.168 20 0 EEADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000079705367 202446261 /nfs/dbraw/zinc/44/62/61/202446261.db2.gz DNTPZAHQSHIVIL-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2F)cc1 ZINC000185568296 160041472 /nfs/dbraw/zinc/04/14/72/160041472.db2.gz GPIUMLNKYKSPIC-UHFFFAOYSA-N -2 0 327.308 2.393 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2)c1 ZINC000341660696 161004053 /nfs/dbraw/zinc/00/40/53/161004053.db2.gz RYGJAGDFFJLEDZ-UHFFFAOYSA-N -2 0 343.364 2.371 20 0 EEADRL Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1F ZINC000342779918 161089940 /nfs/dbraw/zinc/08/99/40/161089940.db2.gz LMLQGTNTHHWHEU-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL Cc1cccc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)c1C(=O)[O-] ZINC000355440221 302005336 /nfs/dbraw/zinc/00/53/36/302005336.db2.gz QFIUSZGHUCVNNL-UHFFFAOYSA-N -2 0 335.385 2.027 20 0 EEADRL CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cc(C(C)=O)ccc1[O-] ZINC000421161842 314057586 /nfs/dbraw/zinc/05/75/86/314057586.db2.gz YBABMMBGLSMEFW-ZDUSSCGKSA-N -2 0 329.418 2.398 20 0 EEADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccc3c(c2)COC3)c1 ZINC000436657902 314985009 /nfs/dbraw/zinc/98/50/09/314985009.db2.gz SEVRKFAJHJAOEA-UHFFFAOYSA-N -2 0 349.364 2.230 20 0 EEADRL O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1cc(F)cc(Cl)c1[O-] ZINC000436983898 315019079 /nfs/dbraw/zinc/01/90/79/315019079.db2.gz AIHSRLIXZYWGBJ-UHFFFAOYSA-N -2 0 349.709 2.118 20 0 EEADRL O=C([O-])[C@H](CC(F)F)[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000566312666 319273783 /nfs/dbraw/zinc/27/37/83/319273783.db2.gz PNLXGKIXVSTMJX-LURJTMIESA-N -2 0 349.689 2.005 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N2CCCC[C@@H]2C(=O)[O-])n1 ZINC000569846569 319613996 /nfs/dbraw/zinc/61/39/96/319613996.db2.gz WQNHWHFBUKMCBN-CQSZACIVSA-N -2 0 343.383 2.220 20 0 EEADRL CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000347678805 465164511 /nfs/dbraw/zinc/16/45/11/465164511.db2.gz OGIOJJZZZXIHQC-UHFFFAOYSA-N -2 0 342.348 2.442 20 0 EEADRL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000297125132 465245886 /nfs/dbraw/zinc/24/58/86/465245886.db2.gz GUTGGIFFELIDDN-QMMMGPOBSA-N -2 0 325.308 2.026 20 0 EEADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2scnc2C2CC2)cc1 ZINC000535686200 468317547 /nfs/dbraw/zinc/31/75/47/468317547.db2.gz SMFYNBDZLHYYOG-UHFFFAOYSA-N -2 0 338.410 2.448 20 0 EEADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)c1 ZINC000078329276 463104092 /nfs/dbraw/zinc/10/40/92/463104092.db2.gz GTQQRNUUAUBFDX-UHFFFAOYSA-N -2 0 349.393 2.433 20 0 EEADRL COc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1O ZINC000351747879 465337198 /nfs/dbraw/zinc/33/71/98/465337198.db2.gz MJPSINTXILZRSN-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccccc2O)c1 ZINC000338122337 465832276 /nfs/dbraw/zinc/83/22/76/465832276.db2.gz AHPFLXISCCVEFD-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL COC(=O)c1ccccc1S(=O)(=O)[N-]c1cc(C)cc(C(=O)[O-])c1 ZINC000350482686 466512028 /nfs/dbraw/zinc/51/20/28/466512028.db2.gz TUKMDPBJJQWPKN-UHFFFAOYSA-N -2 0 349.364 2.281 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)ccc1C(=O)[O-] ZINC000323263626 466636826 /nfs/dbraw/zinc/63/68/26/466636826.db2.gz CTHAYJVTMXWZRL-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL Cc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000753775611 577793248 /nfs/dbraw/zinc/79/32/48/577793248.db2.gz YNRKSTHXARBFFK-UHFFFAOYSA-N -2 0 328.321 2.238 20 0 EEADRL Cc1nc([N-]S(=O)(=O)Cc2cccc(C)c2)sc1C(=O)[O-] ZINC000738717470 578024757 /nfs/dbraw/zinc/02/47/57/578024757.db2.gz LFXCTQVZXJDNIX-UHFFFAOYSA-N -2 0 326.399 2.400 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]C(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000738746316 578025588 /nfs/dbraw/zinc/02/55/88/578025588.db2.gz WTYYHVHMOZQRGT-UHFFFAOYSA-N -2 0 347.392 2.131 20 0 EEADRL O=C([O-])CCCNC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000739677781 578063942 /nfs/dbraw/zinc/06/39/42/578063942.db2.gz NVCDBRPEJLSHBV-UHFFFAOYSA-N -2 0 336.569 2.403 20 0 EEADRL C[C@H](CN(Cc1ccccc1)C(=O)c1ccc(C(=O)[O-])nc1)C(=O)[O-] ZINC000736583121 578213105 /nfs/dbraw/zinc/21/31/05/578213105.db2.gz KNBIWBFJJULNLX-GFCCVEGCSA-N -2 0 342.351 2.143 20 0 EEADRL O=C([O-])Cc1csc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)n1 ZINC000314124833 600050649 /nfs/dbraw/zinc/05/06/49/600050649.db2.gz PUYYPJMZLXBMBY-UHFFFAOYSA-N -2 0 338.410 2.060 20 0 EEADRL C[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000828233514 600938050 /nfs/dbraw/zinc/93/80/50/600938050.db2.gz QCDRQQZZWWEGDN-RKDXNWHRSA-N -2 0 331.415 2.078 20 0 EEADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000097895521 600981794 /nfs/dbraw/zinc/98/17/94/600981794.db2.gz MYGPYBRMUVFBRS-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL CSc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)nc1 ZINC000832786121 600982883 /nfs/dbraw/zinc/98/28/83/600982883.db2.gz XQXWZELAIZIFIC-UHFFFAOYSA-N -2 0 330.412 2.364 20 0 EEADRL CCc1cnc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)s1 ZINC000830299255 600985532 /nfs/dbraw/zinc/98/55/32/600985532.db2.gz MPMLAOQZTRTYLE-UHFFFAOYSA-N -2 0 342.398 2.213 20 0 EEADRL COCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000831821565 601232067 /nfs/dbraw/zinc/23/20/67/601232067.db2.gz BDHJCBGVFRPQHE-UHFFFAOYSA-N -2 0 325.342 2.233 20 0 EEADRL CCc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)no1 ZINC000830224949 601363462 /nfs/dbraw/zinc/36/34/62/601363462.db2.gz YHMWADMPNVGKDN-UHFFFAOYSA-N -2 0 330.749 2.389 20 0 EEADRL O=C([O-])c1cccn2cc(COC(=O)c3cc(F)c([O-])c(F)c3)nc12 ZINC000833353758 601447051 /nfs/dbraw/zinc/44/70/51/601447051.db2.gz PZXXACVYMVZHLU-UHFFFAOYSA-N -2 0 348.261 2.373 20 0 EEADRL Cc1nc([N-]S(=O)(=O)Cc2cccc(F)c2)sc1C(=O)[O-] ZINC000833003671 601474458 /nfs/dbraw/zinc/47/44/58/601474458.db2.gz VPSQBZGGNCZKNN-UHFFFAOYSA-N -2 0 330.362 2.231 20 0 EEADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1sc(C)nc1C ZINC000831950901 601486138 /nfs/dbraw/zinc/48/61/38/601486138.db2.gz XZPGUOPFMXHNLN-UHFFFAOYSA-N -2 0 348.427 2.329 20 0 EEADRL CCCCC[C@H](NC(=O)CSc1n[n-]c(=S)s1)C(=O)[O-] ZINC000829320546 601746911 /nfs/dbraw/zinc/74/69/11/601746911.db2.gz BQJYKXYQUALVSV-ZETCQYMHSA-N -2 0 335.476 2.069 20 0 EEADRL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])n(C)c1 ZINC000832004550 601784205 /nfs/dbraw/zinc/78/42/05/601784205.db2.gz RXBBPYTZPUVYSJ-UHFFFAOYSA-N -2 0 344.776 2.186 20 0 EEADRL CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000831493527 601840035 /nfs/dbraw/zinc/84/00/35/601840035.db2.gz NGTZZRRXDLSVLQ-QMMMGPOBSA-N -2 0 342.398 2.350 20 0 EEADRL Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)s1 ZINC000122517262 602118208 /nfs/dbraw/zinc/11/82/08/602118208.db2.gz YTUQAFRRCOZNOU-UHFFFAOYSA-N -2 0 343.430 2.477 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)nc1C ZINC000317315549 604508699 /nfs/dbraw/zinc/50/86/99/604508699.db2.gz VMCCIMUUUVUYCA-UHFFFAOYSA-N -2 0 343.792 2.364 20 0 EEADRL COCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)cc1 ZINC000833726157 605042624 /nfs/dbraw/zinc/04/26/24/605042624.db2.gz TUJBJGDPVQFKCA-UHFFFAOYSA-N -2 0 327.383 2.394 20 0 EEADRL CCC[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)C(C)C ZINC000833647282 605054494 /nfs/dbraw/zinc/05/44/94/605054494.db2.gz ACLWBAKPVULQRP-SECBINFHSA-N -2 0 333.431 2.324 20 0 EEADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000833741228 605124561 /nfs/dbraw/zinc/12/45/61/605124561.db2.gz CSPSQEIHWRYSSX-UHFFFAOYSA-N -2 0 339.394 2.490 20 0 EEADRL C[C@H](CCNS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000129264645 1201767569 /nfs/dbraw/zinc/76/75/69/1201767569.db2.gz YQIKRNWVGNGHDT-SSDOTTSWSA-N -2 0 326.201 2.383 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)nc(F)c1 ZINC001185877983 1278844963 /nfs/dbraw/zinc/84/49/63/1278844963.db2.gz XHKVDDWYRRODIG-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL O=C(Nc1cccc2nccn21)c1ccccc1OP(=O)([O-])[O-] ZINC001189861627 1280522788 /nfs/dbraw/zinc/52/27/88/1280522788.db2.gz XGHDHFLRLDGDGB-UHFFFAOYSA-N -2 0 333.240 2.058 20 0 EEADRL CCn1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC001193974999 1282801514 /nfs/dbraw/zinc/80/15/14/1282801514.db2.gz QPYPVJKRHVTDAA-UHFFFAOYSA-N -2 0 347.755 2.195 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc(Cl)n1 ZINC001198740200 1285312601 /nfs/dbraw/zinc/31/26/01/1285312601.db2.gz ATOCHVSFPYXDLG-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1O ZINC001198790328 1285336988 /nfs/dbraw/zinc/33/69/88/1285336988.db2.gz SBOJQJSUXLUIRL-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL CC(C)(C)c1nccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])n1 ZINC001198750780 1285337053 /nfs/dbraw/zinc/33/70/53/1285337053.db2.gz TZGSGEQEUBZERH-UHFFFAOYSA-N -2 0 335.385 2.273 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2cncc(F)c2)cc1C(=O)[O-] ZINC000323698104 1302469022 /nfs/dbraw/zinc/46/90/22/1302469022.db2.gz STJJSKMNRJLQCI-UHFFFAOYSA-N -2 0 340.332 2.118 20 0 EEADRL Cc1cnn(C2CCC2)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260223661 1319837050 /nfs/dbraw/zinc/83/70/50/1319837050.db2.gz WLAWIQNMPJFMDO-UHFFFAOYSA-N -2 0 335.385 2.416 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2ccc(F)c(C)c2C(=O)[O-])nc1C ZINC000842588746 1315727512 /nfs/dbraw/zinc/72/75/12/1315727512.db2.gz YQXDNCFKBDOEFA-UHFFFAOYSA-N -2 0 341.364 2.158 20 0 EEADRL O=S(=O)([O-])c1cccc([N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC001259068639 1319428905 /nfs/dbraw/zinc/42/89/05/1319428905.db2.gz YLVSUYUZRXRWNG-UHFFFAOYSA-N -2 0 349.336 2.012 20 0 EEADRL O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(F)c1[O-] ZINC001608486883 1351702882 /nfs/dbraw/zinc/70/28/82/1351702882.db2.gz KLYJCZFSOPRQNM-OAHLLOKOSA-N -2 0 342.326 2.438 20 0 EEADRL O=C([O-])CCCc1nc(CN2CC[C@H](C(=O)[O-])c3ccccc32)no1 ZINC001608718943 1351748808 /nfs/dbraw/zinc/74/88/08/1351748808.db2.gz JUOBLJNIEJNAJT-LBPRGKRZSA-N -2 0 345.355 2.055 20 0 EEADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)CC2CCCCC2)s1 ZINC001608875350 1351784153 /nfs/dbraw/zinc/78/41/53/1351784153.db2.gz JFHDYPQLOSUZTP-UHFFFAOYSA-N -2 0 331.415 2.086 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)C2CCCCC2)cc1Cl ZINC001608910776 1351791987 /nfs/dbraw/zinc/79/19/87/1351791987.db2.gz JYRJJULCZZMARA-UHFFFAOYSA-N -2 0 345.804 2.423 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nnc(C3CC3)s2)cc1F ZINC001608914042 1351792868 /nfs/dbraw/zinc/79/28/68/1351792868.db2.gz UXTHQJQRNKOSAC-UHFFFAOYSA-N -2 0 343.361 2.054 20 0 EEADRL CCC[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001609955396 1352129155 /nfs/dbraw/zinc/12/91/55/1352129155.db2.gz RBNRLPWYKRVGIQ-LLVKDONJSA-N -2 0 327.402 2.157 20 0 EEADRL CCC[C@H](C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C)C(C)C ZINC001609951266 1352127492 /nfs/dbraw/zinc/12/74/92/1352127492.db2.gz QDCXMDPYLISWNR-JTQLQIEISA-N -2 0 331.390 2.163 20 0 EEADRL Cc1cccc(NS(=O)(=O)Cc2ccccc2C(=O)[O-])c1C(=O)[O-] ZINC001610523841 1352238393 /nfs/dbraw/zinc/23/83/93/1352238393.db2.gz JRUGWOMYXBFBPD-UHFFFAOYSA-N -2 0 349.364 2.333 20 0 EEADRL O=C([O-])CCCCCNC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001610771507 1352272003 /nfs/dbraw/zinc/27/20/03/1352272003.db2.gz VTTZCGPNZSRZKO-UHFFFAOYSA-N -2 0 330.287 2.430 20 0 EEADRL CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589761109 1349032383 /nfs/dbraw/zinc/03/23/83/1349032383.db2.gz XPOXBUZVRGHIEO-UHFFFAOYSA-N -2 0 349.372 2.048 20 0 EEADRL Cc1cc(Cl)cc(C)c1S(=O)(=O)[N-]c1nn(C)cc1C(=O)[O-] ZINC001600218932 1349995645 /nfs/dbraw/zinc/99/56/45/1349995645.db2.gz HCPFXQATPLJYMZ-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2ccc3c(C)nn(C)c3c2)oc1C(=O)[O-] ZINC001600301246 1350014549 /nfs/dbraw/zinc/01/45/49/1350014549.db2.gz USPKHDLTARQWBL-UHFFFAOYSA-N -2 0 349.368 2.282 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2c(C)cccc2O)c1C(=O)[O-] ZINC001600543084 1350078086 /nfs/dbraw/zinc/07/80/86/1350078086.db2.gz HGQUQWQWQHQDDX-UHFFFAOYSA-N -2 0 325.342 2.409 20 0 EEADRL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)c1 ZINC001600624420 1350100581 /nfs/dbraw/zinc/10/05/81/1350100581.db2.gz AIKMVYSFFIIERX-UHFFFAOYSA-N -2 0 345.380 2.381 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cc2c(cn1)CCC2 ZINC001600655263 1350109206 /nfs/dbraw/zinc/10/92/06/1350109206.db2.gz VGEVGYSDLTYVTN-UHFFFAOYSA-N -2 0 338.410 2.439 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)CC1(C)CCCCC1 ZINC001600834473 1350147519 /nfs/dbraw/zinc/14/75/19/1350147519.db2.gz RJCOZYUWFQRIGA-UHFFFAOYSA-N -2 0 343.401 2.452 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)C2=CCCCC2)cc1Cl ZINC001601562507 1350306896 /nfs/dbraw/zinc/30/68/96/1350306896.db2.gz RETKWIUAJBFXII-UHFFFAOYSA-N -2 0 343.788 2.344 20 0 EEADRL O=C([O-])C1CC2(C1)CN(C(=O)c1sccc1Cl)C[C@H]2C(=O)[O-] ZINC001601777944 1350362800 /nfs/dbraw/zinc/36/28/00/1350362800.db2.gz BAQPZRJQWAMBBQ-PSVZYIBISA-N -2 0 343.788 2.039 20 0 EEADRL O=C([O-])[C@H]1CCCC[C@H]1S(=O)(=O)[N-]CC(F)(F)c1ccccc1 ZINC001601809832 1350369347 /nfs/dbraw/zinc/36/93/47/1350369347.db2.gz JGUBEOLXBHYJOA-QWHCGFSZSA-N -2 0 347.383 2.341 20 0 EEADRL O=C([O-])CCCON=C([O-])Nc1nnc(Cc2ccccc2)s1 ZINC001601994966 1350413146 /nfs/dbraw/zinc/41/31/46/1350413146.db2.gz PINVTPUVKVDYGU-UHFFFAOYSA-N -2 0 336.373 2.047 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccc(C3CCC3)cc2)on1 ZINC001602296692 1350487542 /nfs/dbraw/zinc/48/75/42/1350487542.db2.gz OGFSXVRLYASRPO-UHFFFAOYSA-N -2 0 336.369 2.119 20 0 EEADRL O=C([O-])c1ccc(/C=C\C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)o1 ZINC001602331430 1350495941 /nfs/dbraw/zinc/49/59/41/1350495941.db2.gz CEWUIQZYNHUQFV-HCNKHXEJSA-N -2 0 347.367 2.483 20 0 EEADRL CCOC(=O)c1[n-]c(NC(=O)c2cc(C(=O)[O-])oc2C)nc1Cl ZINC001605562237 1351190734 /nfs/dbraw/zinc/19/07/34/1351190734.db2.gz DONOAGUMWIAYGV-UHFFFAOYSA-N -2 0 341.707 2.092 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2ccc(OC(F)F)nc2)cc1C(=O)[O-] ZINC001608056710 1351615679 /nfs/dbraw/zinc/61/56/79/1351615679.db2.gz DWGOAGSPAHOFKA-UHFFFAOYSA-N -2 0 348.283 2.083 20 0 EEADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](CC1CCCCC1)C(=O)[O-] ZINC001647343973 1353238580 /nfs/dbraw/zinc/23/85/80/1353238580.db2.gz MZRGSPVHCFNMBS-SCZZXKLOSA-N -2 0 331.356 2.280 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])sc2C)cn1 ZINC001605699070 1404750589 /nfs/dbraw/zinc/75/05/89/1404750589.db2.gz OLOBRKBOZVRSEZ-UHFFFAOYSA-N -2 0 342.398 2.349 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCc2ccc(Cl)s2)C1 ZINC000910190275 786522268 /nfs/dbraw/zinc/52/22/68/786522268.db2.gz VTXCNLFJDIWEJE-WPRPVWTQSA-N -2 0 345.804 2.111 20 0 EEADRL COc1cc(Nc2nc[n-]c(=O)c2Br)ccc1C(=O)[O-] ZINC001174684727 797833072 /nfs/dbraw/zinc/83/30/72/797833072.db2.gz XAPOIVDSDKGKAZ-UHFFFAOYSA-N -2 0 340.133 2.395 20 0 EEADRL O=C([O-])c1cc(Nc2ccnn2Cc2ccccn2)cc(C(=O)[O-])c1 ZINC001176238578 798390731 /nfs/dbraw/zinc/39/07/31/798390731.db2.gz JIQQIHJVKDXHSP-UHFFFAOYSA-N -2 0 338.323 2.466 20 0 EEADRL O=C([O-])c1cc(Nc2cccc(S(=O)(=O)[O-])c2)cc(C(=O)[O-])c1 ZINC001176241647 798392399 /nfs/dbraw/zinc/39/23/99/798392399.db2.gz PWVZMHWZHVMTKN-UHFFFAOYSA-N -3 0 337.309 2.073 20 0 EEADRL COC(=O)c1c(O)cccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176243778 798392562 /nfs/dbraw/zinc/39/25/62/798392562.db2.gz DHTQMBZTCQZVNV-UHFFFAOYSA-N -2 0 331.280 2.319 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)C2=Cc3ccccc3OC2)c(O)c1 ZINC000788748543 807684230 /nfs/dbraw/zinc/68/42/30/807684230.db2.gz VJSKLXPVDASTQM-UHFFFAOYSA-N -2 0 347.348 2.266 20 0 EEADRL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC000863955805 939244494 /nfs/dbraw/zinc/24/44/94/939244494.db2.gz YSJJOXVXLCZEOI-BXUZGUMPSA-N -2 0 339.413 2.085 20 0 EEADRL O=C([O-])CCc1cccc(NC(=O)C[C@@]2(C(=O)[O-])CCSC2)c1 ZINC001611459551 971062690 /nfs/dbraw/zinc/06/26/90/971062690.db2.gz MQRUAPFWTFDSEJ-INIZCTEOSA-N -2 0 337.397 2.240 20 0 EEADRL O=C([O-])c1cncc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c1 ZINC000081673979 957780869 /nfs/dbraw/zinc/78/08/69/957780869.db2.gz CDOPLXXGKJUESL-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001573711859 959854457 /nfs/dbraw/zinc/85/44/57/959854457.db2.gz PNGUZMONSLHLLX-MNOVXSKESA-N -2 0 347.346 2.042 20 0 EEADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198778564 960584643 /nfs/dbraw/zinc/58/46/43/960584643.db2.gz GYXQHMPUCGRALX-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL CC(C)[C@@H](NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C(=O)[O-] ZINC001588951223 962577866 /nfs/dbraw/zinc/57/78/66/962577866.db2.gz VQAWCOULOZBDFJ-GFCCVEGCSA-N -2 0 337.763 2.070 20 0 EEADRL N#Cc1ccc(S(=O)(=O)[N-]c2cccc(CCC(=O)[O-])c2)s1 ZINC000389031596 968159891 /nfs/dbraw/zinc/15/98/91/968159891.db2.gz OOQHHFOFXCCSTQ-UHFFFAOYSA-N -2 0 336.394 2.438 20 0 EEADRL N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)c(Cl)c1 ZINC000317375171 970352786 /nfs/dbraw/zinc/35/27/86/970352786.db2.gz JBJXFTLSDZHGOE-UHFFFAOYSA-N -2 0 337.744 2.106 20 0 EEADRL CC(C)([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)C(F)(F)F ZINC000393870438 972653116 /nfs/dbraw/zinc/65/31/16/972653116.db2.gz WZOAZWDSABNSJR-UHFFFAOYSA-N -2 0 329.271 2.143 20 0 EEADRL C[C@H](CNC(=O)Nc1cccc(SCCC(=O)[O-])c1)C(=O)[O-] ZINC001592683736 979113882 /nfs/dbraw/zinc/11/38/82/979113882.db2.gz XKAWZLJVRSTXAI-SECBINFHSA-N -2 0 326.374 2.096 20 0 EEADRL CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)n[nH]1 ZINC001595578178 981498132 /nfs/dbraw/zinc/49/81/32/981498132.db2.gz ANCOHXBUBZXYDV-MRVPVSSYSA-N -2 0 327.362 2.405 20 0 EEADRL CCOc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)nc1 ZINC001597076056 986607620 /nfs/dbraw/zinc/60/76/20/986607620.db2.gz JRSZDYQBAPTWOV-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2s[n-]c(=O)c2Cl)C1 ZINC001589611833 987469415 /nfs/dbraw/zinc/46/94/15/987469415.db2.gz AEPVNHIGSURELT-SSDOTTSWSA-N -2 0 332.809 2.465 20 0 EEADRL CCc1[nH]c(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c(C)c1C(=O)[O-] ZINC001597364780 987535728 /nfs/dbraw/zinc/53/57/28/987535728.db2.gz YVKYOOGRKQSGGZ-SFHVURJKSA-N -2 0 344.367 2.314 20 0 EEADRL CCc1cc(Cl)cnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC001597477004 987945606 /nfs/dbraw/zinc/94/56/06/987945606.db2.gz QCQOZBKOIYJJTB-UHFFFAOYSA-N -2 0 343.792 2.135 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(C(C)C)n1 ZINC001597792033 989328916 /nfs/dbraw/zinc/32/89/16/989328916.db2.gz VPERPSIEQDQDIA-UHFFFAOYSA-N -2 0 327.362 2.118 20 0 EEADRL CO[N-]C(=O)C(=O)Nc1c(-c2ccc(C)cc2)csc1C(=O)[O-] ZINC001599320533 997573104 /nfs/dbraw/zinc/57/31/04/997573104.db2.gz JLAMNAPIOPMIOX-UHFFFAOYSA-N -2 0 334.353 2.038 20 0 EEADRL CO[C@H]1CCOc2c([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cccc21 ZINC001599127179 997873695 /nfs/dbraw/zinc/87/36/95/997873695.db2.gz GOEHRRMNUFWJBA-LBPRGKRZSA-N -2 0 343.401 2.009 20 0 EEADRL CC(C)C[C@H](C[N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000262391754 201204452 /nfs/dbraw/zinc/20/44/52/201204452.db2.gz ZYVXZFFRGJROGL-MRVPVSSYSA-N -2 0 339.335 2.129 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1C(=O)[O-] ZINC000438720871 242045088 /nfs/dbraw/zinc/04/50/88/242045088.db2.gz ZCGYYSJFNVPKHB-UHFFFAOYSA-N -3 0 341.366 2.254 20 0 EEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)cccc1O ZINC000346415186 161370382 /nfs/dbraw/zinc/37/03/82/161370382.db2.gz WIQQKHYVLGYDAG-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cccc3c2OCO3)sc1C(=O)[O-] ZINC000359861305 164186899 /nfs/dbraw/zinc/18/68/99/164186899.db2.gz WWNGRQJSZAJXTL-UHFFFAOYSA-N -2 0 341.366 2.284 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2sc(C)nc2C)ccc1C(=O)[O-] ZINC000432761471 314722542 /nfs/dbraw/zinc/72/25/42/314722542.db2.gz UOIXQGJQYLCYEC-UHFFFAOYSA-N -2 0 342.398 2.268 20 0 EEADRL Cc1cc(C(=O)Nc2ccc(O)c(Cl)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000436630328 314981432 /nfs/dbraw/zinc/98/14/32/314981432.db2.gz MNFZOFYSDJLBAJ-UHFFFAOYSA-N -2 0 346.730 2.356 20 0 EEADRL COc1ccsc1S(=O)(=O)N[C@H]1CCCC[C@@]1(C)C(=O)[O-] ZINC000547574354 318300667 /nfs/dbraw/zinc/30/06/67/318300667.db2.gz OEZJCBPAQGIODC-GXFFZTMASA-N -2 0 333.431 2.069 20 0 EEADRL CCc1ncc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccccc2)s1 ZINC000574665847 320046349 /nfs/dbraw/zinc/04/63/49/320046349.db2.gz YSVCONCOFGKOTQ-NSHDSACASA-N -2 0 340.426 2.200 20 0 EEADRL O=C([O-])[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000013469623 462894218 /nfs/dbraw/zinc/89/42/18/462894218.db2.gz NHADPFZBCHSBDP-LBPRGKRZSA-N -2 0 330.296 2.497 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000043587033 463648103 /nfs/dbraw/zinc/64/81/03/463648103.db2.gz WQFVPJXFTYVSCY-UHFFFAOYSA-N -2 0 339.300 2.023 20 0 EEADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cncc(Cl)c2)c1 ZINC000350299501 466452401 /nfs/dbraw/zinc/45/24/01/466452401.db2.gz HALNJHYTUVUYBD-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL Cc1noc2ncc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3C)cc12 ZINC000338880033 466454422 /nfs/dbraw/zinc/45/44/22/466454422.db2.gz HKBCCNLJCXMTAT-UHFFFAOYSA-N -2 0 347.352 2.339 20 0 EEADRL COCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000314964926 466556435 /nfs/dbraw/zinc/55/64/35/466556435.db2.gz AGFKOWFSXUBCRK-UHFFFAOYSA-N -2 0 325.342 2.233 20 0 EEADRL O=C([O-])c1cc(NS(=O)(=O)CCC2CCC2)cc(C(=O)[O-])c1 ZINC000318829460 466592207 /nfs/dbraw/zinc/59/22/07/466592207.db2.gz AYANCEJLZNZBOC-UHFFFAOYSA-N -2 0 327.358 2.015 20 0 EEADRL COCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000321521129 466623071 /nfs/dbraw/zinc/62/30/71/466623071.db2.gz CUYIBQGLXHVFNC-UHFFFAOYSA-N -2 0 339.344 2.471 20 0 EEADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000322040421 466629650 /nfs/dbraw/zinc/62/96/50/466629650.db2.gz JFMJAZABVVOLRF-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL CC(=O)c1ccsc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000427343201 467152228 /nfs/dbraw/zinc/15/22/28/467152228.db2.gz ALCKDGVNBLVMOE-UHFFFAOYSA-N -2 0 325.367 2.450 20 0 EEADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cnc3ccccc3c2)c1O ZINC000436525889 467543280 /nfs/dbraw/zinc/54/32/80/467543280.db2.gz HFBLXMAUJOLFNE-UHFFFAOYSA-N -2 0 344.348 2.439 20 0 EEADRL CCn1nccc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000471944948 467982355 /nfs/dbraw/zinc/98/23/55/467982355.db2.gz UHZVDTXFQRMVJE-UHFFFAOYSA-N -2 0 329.765 2.055 20 0 EEADRL CC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1O ZINC000647918348 471016518 /nfs/dbraw/zinc/01/65/18/471016518.db2.gz AWCRFFRTPFYVEU-UHFFFAOYSA-N -2 0 349.364 2.402 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)nn1C ZINC000747794029 576311392 /nfs/dbraw/zinc/31/13/92/576311392.db2.gz ACWHOKBCNKYKFU-UHFFFAOYSA-N -2 0 347.755 2.020 20 0 EEADRL O=C([O-])c1ccc(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)s1 ZINC000740115305 578081208 /nfs/dbraw/zinc/08/12/08/578081208.db2.gz QZPIMEQNCCRJRH-UHFFFAOYSA-N -2 0 331.309 2.042 20 0 EEADRL C[C@H](C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1cccs1 ZINC000736217523 578187807 /nfs/dbraw/zinc/18/78/07/578187807.db2.gz XTZRUURJJZLEHU-VIFPVBQESA-N -2 0 339.394 2.055 20 0 EEADRL CC[C@@H](CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1ccc(C)cc1 ZINC000736892994 578228399 /nfs/dbraw/zinc/22/83/99/578228399.db2.gz RJTQPOOANGHEQN-ZDUSSCGKSA-N -2 0 341.429 2.190 20 0 EEADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@H]3C(=O)[O-])n2)cc1 ZINC000236859276 597513950 /nfs/dbraw/zinc/51/39/50/597513950.db2.gz IAGRXZPFQACNBL-AWEZNQCLSA-N -2 0 343.383 2.391 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(OCC(=O)[O-])c2)c(F)c1 ZINC000405025044 599850275 /nfs/dbraw/zinc/85/02/75/599850275.db2.gz ZPLVTGDIDWWMQH-UHFFFAOYSA-N -2 0 339.344 2.398 20 0 EEADRL COC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1C(=O)[O-] ZINC000831327754 600689432 /nfs/dbraw/zinc/68/94/32/600689432.db2.gz NYXOQLCCZNWGRK-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)n(C)n1 ZINC000830224238 601360825 /nfs/dbraw/zinc/36/08/25/601360825.db2.gz JDAYSQMPUZVQLD-UHFFFAOYSA-N -2 0 337.401 2.098 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N[C@@H](CC(=O)[O-])C2CC2)n1 ZINC000830269683 601563561 /nfs/dbraw/zinc/56/35/61/601563561.db2.gz BXCOZYISXFTJIG-ZDUSSCGKSA-N -2 0 343.383 2.123 20 0 EEADRL CCc1cnc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])s1 ZINC000830299618 601847762 /nfs/dbraw/zinc/84/77/62/601847762.db2.gz UXWPOTIUYJBLRT-UHFFFAOYSA-N -2 0 330.362 2.344 20 0 EEADRL C[C@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000828221756 602383220 /nfs/dbraw/zinc/38/32/20/602383220.db2.gz XNAMOYGJFRDMQN-DTWKUNHWSA-N -2 0 331.415 2.078 20 0 EEADRL C[C@@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000828221444 602384963 /nfs/dbraw/zinc/38/49/63/602384963.db2.gz PDKYOCKEDVCQGH-GHMZBOCLSA-N -2 0 325.386 2.016 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2cc(C)c(C(=O)[O-])s2)nc1C ZINC000050265456 604509029 /nfs/dbraw/zinc/50/90/29/604509029.db2.gz ZNPQNPFINDXYSA-UHFFFAOYSA-N -2 0 329.403 2.080 20 0 EEADRL CC(C)(C)/C=C/C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833422479 605118134 /nfs/dbraw/zinc/11/81/34/605118134.db2.gz IRVFDLLAIOQKTA-VOTSOKGWSA-N -2 0 345.804 2.445 20 0 EEADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833671268 605188013 /nfs/dbraw/zinc/18/80/13/605188013.db2.gz VQWDTTQYKYNBRO-UHFFFAOYSA-N -3 0 339.325 2.039 20 0 EEADRL Cc1noc2ncc([N-]S(=O)(=O)c3ccc(C)cc3C(=O)[O-])cc12 ZINC000833751083 605189199 /nfs/dbraw/zinc/18/91/99/605189199.db2.gz NXGFVFTTWJTCEA-UHFFFAOYSA-N -2 0 347.352 2.339 20 0 EEADRL C[C@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833610954 605486386 /nfs/dbraw/zinc/48/63/86/605486386.db2.gz YZBHARMWXQHPII-WPRPVWTQSA-N -2 0 345.804 2.279 20 0 EEADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ncccc2C2CC2)cc1 ZINC001192685496 1282104292 /nfs/dbraw/zinc/10/42/92/1282104292.db2.gz PXELSTQCOOOKCE-UHFFFAOYSA-N -2 0 348.380 2.223 20 0 EEADRL Cc1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)n1C ZINC001193974101 1282798878 /nfs/dbraw/zinc/79/88/78/1282798878.db2.gz ISMVFDAHTQKSFT-UHFFFAOYSA-N -2 0 347.755 2.020 20 0 EEADRL CCOC(=O)CS(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1[O-] ZINC001195974508 1283827746 /nfs/dbraw/zinc/82/77/46/1283827746.db2.gz CBRKDHZVZXJMOF-UHFFFAOYSA-N -2 0 328.173 2.004 20 0 EEADRL COc1cc(NS(=O)(=O)c2ccccc2C(=O)[O-])ccc1[S-] ZINC001198790183 1285337498 /nfs/dbraw/zinc/33/74/98/1285337498.db2.gz PMVKQWANGJXQAT-UHFFFAOYSA-N -2 0 339.394 2.483 20 0 EEADRL O=C1[N-]S(=O)(=O)c2cc(Nc3ccc(Cl)c([O-])c3F)ccc21 ZINC001214803930 1296597850 /nfs/dbraw/zinc/59/78/50/1296597850.db2.gz KTBINKFJVYPBHF-UHFFFAOYSA-N -2 0 342.735 2.360 20 0 EEADRL COc1ccc(-c2noc(-c3cc(S(=O)(=O)[O-])ccc3[O-])n2)cc1 ZINC001215454253 1296909625 /nfs/dbraw/zinc/90/96/25/1296909625.db2.gz QAAPMSCBBZAKOK-UHFFFAOYSA-N -2 0 348.336 2.365 20 0 EEADRL CC(C)NC(=O)COc1cccc(-c2ccc(P(=O)([O-])[O-])cc2)c1 ZINC001243891191 1309878554 /nfs/dbraw/zinc/87/85/54/1309878554.db2.gz HRMXWWFZZDDRCS-UHFFFAOYSA-N -2 0 349.323 2.060 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2csc3nccnc23)cc1 ZINC001260221756 1319836727 /nfs/dbraw/zinc/83/67/27/1319836727.db2.gz RIBPUGDJYHTMJD-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL Cc1ccc(CS(=O)(=O)[N-]c2cccc(C(=O)N(C)C)c2[O-])cc1 ZINC001259265519 1319502707 /nfs/dbraw/zinc/50/27/07/1319502707.db2.gz LVXXAQHOYRZSGJ-UHFFFAOYSA-N -2 0 348.424 2.344 20 0 EEADRL Cc1ccccc1CS(=O)(=O)[N-]c1cccc(C(=O)N(C)C)c1[O-] ZINC001260023791 1319775236 /nfs/dbraw/zinc/77/52/36/1319775236.db2.gz UTSXPTCELZRLEL-UHFFFAOYSA-N -2 0 348.424 2.344 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccnn2CC2CCC2)c1 ZINC001260184545 1319818728 /nfs/dbraw/zinc/81/87/28/1319818728.db2.gz QEOIVSSBBBCEMX-UHFFFAOYSA-N -2 0 335.385 2.182 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc3cnncc32)c1 ZINC001260189459 1319819245 /nfs/dbraw/zinc/81/92/45/1319819245.db2.gz BZNNUOVZEKCTRQ-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL COc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)ccc(F)c1F ZINC001260191148 1319822935 /nfs/dbraw/zinc/82/29/35/1319822935.db2.gz ZTDVBIPFOPZQFL-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL O=C([O-])c1ncsc1S(=O)(=O)NCC1CCCCCCC1 ZINC001602583118 1350551031 /nfs/dbraw/zinc/55/10/31/1350551031.db2.gz OTLILCXKLOQLQL-UHFFFAOYSA-N -2 0 332.447 2.480 20 0 EEADRL COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001607169433 1351441999 /nfs/dbraw/zinc/44/19/99/1351441999.db2.gz GNTRBHFQPPHBIV-UHFFFAOYSA-N -2 0 333.268 2.065 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)CC1 ZINC001608632798 1351730262 /nfs/dbraw/zinc/73/02/62/1351730262.db2.gz ZEJWMMZUWIOPQH-YRGRVCCFSA-N -2 0 331.368 2.483 20 0 EEADRL O=C([O-])CCCCNC(=O)Nc1cc(C(=O)[O-])ccc1N1CCCC1 ZINC001608713161 1351747202 /nfs/dbraw/zinc/74/72/02/1351747202.db2.gz YWVLVGNZAJLNAK-UHFFFAOYSA-N -2 0 349.387 2.361 20 0 EEADRL O=C([O-])c1ccc(CNC(=O)[C@]2(C(=O)[O-])CC=CCC2)nc1C1CC1 ZINC001608883418 1351786280 /nfs/dbraw/zinc/78/62/80/1351786280.db2.gz MIACERYEVUBLME-SFHVURJKSA-N -2 0 344.367 2.085 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnc3ccsc3c2)nc1 ZINC001608905241 1351790885 /nfs/dbraw/zinc/79/08/85/1351790885.db2.gz JTCZELSZLRIUJY-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)c1 ZINC001608990537 1351809708 /nfs/dbraw/zinc/80/97/08/1351809708.db2.gz CQUDVZQMOPKJLS-UHFFFAOYSA-N -2 0 345.716 2.161 20 0 EEADRL C[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC001609852625 1352102181 /nfs/dbraw/zinc/10/21/81/1352102181.db2.gz OSXSOJYBDMTFHE-YPMHNXCESA-N -2 0 339.413 2.157 20 0 EEADRL CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(F)(F)F ZINC001609901899 1352115216 /nfs/dbraw/zinc/11/52/16/1352115216.db2.gz VOJLPNKTAPKIRZ-HZGVNTEJSA-N -2 0 329.296 2.233 20 0 EEADRL CCc1noc(C)c1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC001610078178 1352157529 /nfs/dbraw/zinc/15/75/29/1352157529.db2.gz UCUJDDOGZSUTEI-UHFFFAOYSA-N -2 0 346.386 2.115 20 0 EEADRL COc1ccc(C)nc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC001610326570 1352206395 /nfs/dbraw/zinc/20/63/95/1352206395.db2.gz NWHYKGRUSXCXFH-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL Cc1nc2ccc(S(=O)(=O)[N-]c3cncc(C(=O)[O-])c3)cc2s1 ZINC001610560499 1352244872 /nfs/dbraw/zinc/24/48/72/1352244872.db2.gz MFBCFSIFNWVTJG-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nccc3ccncc32)c(F)c1 ZINC001610840150 1352283284 /nfs/dbraw/zinc/28/32/84/1352283284.db2.gz LKEMJAIXLINFTL-UHFFFAOYSA-N -2 0 347.327 2.268 20 0 EEADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]c1ccc(C2CCC2)cn1 ZINC001610871790 1352288694 /nfs/dbraw/zinc/28/86/94/1352288694.db2.gz VSZMCJHMSISAOC-UHFFFAOYSA-N -2 0 339.398 2.305 20 0 EEADRL O=S(=O)([N-]c1cc(F)cc(Cl)c1)c1ccc(-c2nnn[n-]2)o1 ZINC001593444700 1349799772 /nfs/dbraw/zinc/79/97/72/1349799772.db2.gz BGBRHCMNDSTXQG-UHFFFAOYSA-N -2 0 343.727 2.053 20 0 EEADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)N[C@H](CC3CC3)C(=O)[O-])n2)c1 ZINC001600426996 1350048845 /nfs/dbraw/zinc/04/88/45/1350048845.db2.gz QWGDMLIHQHBKTQ-GFCCVEGCSA-N -2 0 347.346 2.009 20 0 EEADRL Cc1ccc(NS(=O)(=O)Cc2ccccc2C(=O)[O-])cc1C(=O)[O-] ZINC001600463753 1350057931 /nfs/dbraw/zinc/05/79/31/1350057931.db2.gz MSFGZTDNQLUKDK-UHFFFAOYSA-N -2 0 349.364 2.333 20 0 EEADRL Cc1ccncc1S(=O)(=O)[N-]c1nc(C(=O)[O-])c(C2CC2)s1 ZINC001600607767 1350096330 /nfs/dbraw/zinc/09/63/30/1350096330.db2.gz QHYKPAHJZBTSNQ-UHFFFAOYSA-N -2 0 339.398 2.223 20 0 EEADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)CCC2CCCC2)cc1 ZINC001601263941 1350244590 /nfs/dbraw/zinc/24/45/90/1350244590.db2.gz YHVNVIWNUXEXOP-UHFFFAOYSA-N -2 0 339.413 2.301 20 0 EEADRL O=C([O-])c1cc(NC(=O)NC2CCC(C(=O)[O-])CC2)c(F)cc1F ZINC001601581878 1350312033 /nfs/dbraw/zinc/31/20/33/1350312033.db2.gz CNJHALRSPWLFFI-UHFFFAOYSA-N -2 0 342.298 2.428 20 0 EEADRL O=C([O-])CC[C@@H]1CCCN(C(=O)NCCc2ccc(C(=O)[O-])cc2)C1 ZINC001601976025 1350409366 /nfs/dbraw/zinc/40/93/66/1350409366.db2.gz CLSBDWVMAAKNSZ-AWEZNQCLSA-N -2 0 348.399 2.214 20 0 EEADRL O=C([O-])[C@@H]1CN(C(=O)c2ccc(F)cc2[O-])C[C@H]1c1ccc(O)cc1 ZINC001602185918 1350460781 /nfs/dbraw/zinc/46/07/81/1350460781.db2.gz PEMWNDZYRXEIMB-LSDHHAIUSA-N -2 0 345.326 2.177 20 0 EEADRL O=C([O-])/C(=C\c1cc(C(=O)[O-])c(Cl)s1)CN1CCC(=O)CC1 ZINC001602647248 1350565459 /nfs/dbraw/zinc/56/54/59/1350565459.db2.gz YSGDNOGGUUXDIL-YVMONPNESA-N -2 0 343.788 2.233 20 0 EEADRL C/C(=C\C1CCC(C)CC1)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC001602960059 1350611856 /nfs/dbraw/zinc/61/18/56/1350611856.db2.gz MIGGDDHLZFGENE-ZRDIBKRKSA-N -2 0 331.434 2.070 20 0 EEADRL CC(C)CC1(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])CCCC1 ZINC001603782667 1350766285 /nfs/dbraw/zinc/76/62/85/1350766285.db2.gz METOXXONYRWSOX-UHFFFAOYSA-N -2 0 333.450 2.150 20 0 EEADRL CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nn2)cc1 ZINC001603848995 1350781990 /nfs/dbraw/zinc/78/19/90/1350781990.db2.gz HJBIXNNKILCUFN-UHFFFAOYSA-N -2 0 335.385 2.174 20 0 EEADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@H](C)CC(=O)[O-])n2)c1 ZINC001604004022 1350827515 /nfs/dbraw/zinc/82/75/15/1350827515.db2.gz CQEIPYJRJKCOER-LLVKDONJSA-N -2 0 331.372 2.294 20 0 EEADRL CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001604955349 1351038937 /nfs/dbraw/zinc/03/89/37/1351038937.db2.gz FOJOFJOKOYQUDR-MRVPVSSYSA-N -2 0 328.752 2.071 20 0 EEADRL CC[C@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001605163289 1351092409 /nfs/dbraw/zinc/09/24/09/1351092409.db2.gz KESYMVCRSSHZDH-GXTWGEPZSA-N -2 0 339.413 2.157 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1n[nH]c(C(C)C)c1C ZINC001605884990 1351246118 /nfs/dbraw/zinc/24/61/18/1351246118.db2.gz IKYBRFVERABMHA-UHFFFAOYSA-N -2 0 341.389 2.496 20 0 EEADRL COc1ccc(NC(=O)c2cc(C)cc(C=O)c2[O-])c(C(=O)[O-])c1 ZINC001607276096 1351463911 /nfs/dbraw/zinc/46/39/11/1351463911.db2.gz ZRXRSIGETXYJSO-UHFFFAOYSA-N -2 0 329.308 2.472 20 0 EEADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2N)s1 ZINC001607621556 1351527324 /nfs/dbraw/zinc/52/73/24/1351527324.db2.gz HACKUXWURMSARU-UHFFFAOYSA-N -2 0 326.399 2.446 20 0 EEADRL Cc1cccc(CS(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])s2)c1 ZINC001607853245 1351571961 /nfs/dbraw/zinc/57/19/61/1351571961.db2.gz DVBQQGHRFNQQGT-UHFFFAOYSA-N -2 0 339.394 2.015 20 0 EEADRL Cc1cc(C[N-]S(=O)(=O)[C@@H](C)C(F)(F)F)ccc1C(=O)[O-] ZINC000837293678 1372778339 /nfs/dbraw/zinc/77/83/39/1372778339.db2.gz GUTGEROXHMFDEY-QMMMGPOBSA-N -2 0 325.308 2.063 20 0 EEADRL CN(C1CCC(F)(F)CC1)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000906988378 784303292 /nfs/dbraw/zinc/30/32/92/784303292.db2.gz XBZBEKAYHFLORO-UHFFFAOYSA-N -2 0 349.355 2.289 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)nn1C(C)C ZINC000817358410 784737520 /nfs/dbraw/zinc/73/75/20/784737520.db2.gz ZRUSRMLBWZNIOB-UHFFFAOYSA-N -2 0 341.364 2.411 20 0 EEADRL O=C([O-])CCc1cccc(NC(=O)C(=O)[N-]OC2CCCCC2)c1 ZINC000817880839 785041694 /nfs/dbraw/zinc/04/16/94/785041694.db2.gz KBRHFXWACQKLMD-UHFFFAOYSA-N -2 0 334.372 2.023 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)C1 ZINC000910185740 786517528 /nfs/dbraw/zinc/51/75/28/786517528.db2.gz YABSYHQNHFNLIP-NJVJYBDUSA-N -2 0 337.416 2.369 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc3ccccc3c2)C1 ZINC000910185767 786517932 /nfs/dbraw/zinc/51/79/32/786517932.db2.gz LCSLEKRLNHLZAN-CABCVRRESA-N -2 0 327.336 2.230 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCc2cc(Cl)cs2)C1 ZINC000910191181 786522613 /nfs/dbraw/zinc/52/26/13/786522613.db2.gz YBRAZCYJCAIMNJ-KWQFWETISA-N -2 0 345.804 2.111 20 0 EEADRL CC(C)c1cccnc1NC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148916870 792782952 /nfs/dbraw/zinc/78/29/52/792782952.db2.gz FVGMLVSYFPSOTE-UHFFFAOYSA-N -2 0 336.369 2.410 20 0 EEADRL COC(=O)/C=C/c1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc1 ZINC001176238558 798390398 /nfs/dbraw/zinc/39/03/98/798390398.db2.gz QKNTXUNOZQWKTK-HWKANZROSA-N -2 0 342.307 2.408 20 0 EEADRL CC(C)(CCC(=O)[O-])NC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001602938486 971903921 /nfs/dbraw/zinc/90/39/21/971903921.db2.gz ISQVXSVXAKBQPI-UHFFFAOYSA-N -2 0 335.335 2.090 20 0 EEADRL O=C([O-])C1(NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])CCCCC1 ZINC001594721708 956976476 /nfs/dbraw/zinc/97/64/76/956976476.db2.gz YZOODFCBDYPISA-UHFFFAOYSA-N -2 0 347.346 2.234 20 0 EEADRL Cc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)s1 ZINC000035650897 957214887 /nfs/dbraw/zinc/21/48/87/957214887.db2.gz JTNPOHNNVSYTQH-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL C[C@H](C(=O)[O-])N(C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C1CC1 ZINC001588590966 959340836 /nfs/dbraw/zinc/34/08/36/959340836.db2.gz DFYOSNGLVCFAMW-SECBINFHSA-N -2 0 349.774 2.309 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c(O)c1 ZINC001195227481 960569780 /nfs/dbraw/zinc/56/97/80/960569780.db2.gz PNEKIVHTYNIZDK-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000320542100 970676181 /nfs/dbraw/zinc/67/61/81/970676181.db2.gz PAJNVIQNNQCKFV-UHFFFAOYSA-N -2 0 336.325 2.402 20 0 EEADRL CN(CCCC(=O)[O-])C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001604161860 972577608 /nfs/dbraw/zinc/57/76/08/972577608.db2.gz WZZXUJVGHHJOPX-UHFFFAOYSA-N -2 0 337.763 2.168 20 0 EEADRL C[C@@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2c(Cl)cnn2C)cc1 ZINC000396342589 972856117 /nfs/dbraw/zinc/85/61/17/972856117.db2.gz ABHIFLQZFSRFLO-MRVPVSSYSA-N -2 0 343.792 2.062 20 0 EEADRL CC(C)c1occc1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001592102683 976873139 /nfs/dbraw/zinc/87/31/39/976873139.db2.gz QUDMVYDJLFFFCG-UHFFFAOYSA-N -2 0 337.353 2.220 20 0 EEADRL CC(C)n1cnc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2Cl)c1 ZINC001592145741 977005977 /nfs/dbraw/zinc/00/59/77/977005977.db2.gz TWARRDYEQVDNLZ-UHFFFAOYSA-N -2 0 344.780 2.011 20 0 EEADRL C[C@H](CC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1)c1ccccc1 ZINC001592227000 977423033 /nfs/dbraw/zinc/42/30/33/977423033.db2.gz KIWKIGJZVUYSLR-AOLYHKMPSA-N -2 0 345.395 2.204 20 0 EEADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@@]2(C)CC2(F)F)c1F ZINC000871983439 980021689 /nfs/dbraw/zinc/02/16/89/980021689.db2.gz FIPZMWMIGWUEFZ-GFCCVEGCSA-N -2 0 337.319 2.156 20 0 EEADRL CCC[C@@H](C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC001595536047 981380094 /nfs/dbraw/zinc/38/00/94/981380094.db2.gz NDZYVCQLYNKJCR-JOYOIKCWSA-N -2 0 347.820 2.143 20 0 EEADRL CCC[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C(=O)[O-] ZINC001596002090 983259750 /nfs/dbraw/zinc/25/97/50/983259750.db2.gz CVGFCEQGXVNKDO-LLVKDONJSA-N -2 0 337.763 2.214 20 0 EEADRL CCOC(=O)CCc1c(C)[n-]n(-c2ccc(F)c(C(=O)[O-])c2)c1=O ZINC001596602341 984561802 /nfs/dbraw/zinc/56/18/02/984561802.db2.gz UOZBFAKUQGVAPL-NSHDSACASA-N -2 0 336.319 2.206 20 0 EEADRL C[C@H](C(=O)[O-])N(C(=O)c1nn(-c2ccccc2F)cc1[O-])C1CCC1 ZINC001589478457 986995457 /nfs/dbraw/zinc/99/54/57/986995457.db2.gz JZXDIBRFLNAVSS-SNVBAGLBSA-N -2 0 347.346 2.185 20 0 EEADRL CC[C@H](C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001594737555 987281726 /nfs/dbraw/zinc/28/17/26/987281726.db2.gz YOUPRBJGNZRCCY-HNNXBMFYSA-N -2 0 347.392 2.384 20 0 EEADRL CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)C1 ZINC001589605806 987451495 /nfs/dbraw/zinc/45/14/95/987451495.db2.gz PUTIRDGEYUFFDZ-IOCXFXADSA-N -2 0 335.356 2.340 20 0 EEADRL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2coc(/C=C\C(=O)[O-])c2)C1 ZINC001589612022 987471440 /nfs/dbraw/zinc/47/14/40/987471440.db2.gz OJIVBENGWSEEST-FOQNGQEVSA-N -2 0 335.356 2.340 20 0 EEADRL CC(C)(C)CCCCC(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001589771734 988124293 /nfs/dbraw/zinc/12/42/93/988124293.db2.gz DTFSPBGGRLYXFR-UHFFFAOYSA-N -2 0 348.446 2.253 20 0 EEADRL CSCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC001599803273 988212460 /nfs/dbraw/zinc/21/24/60/988212460.db2.gz SUDNEBMYSDSVCX-UHFFFAOYSA-N -2 0 338.410 2.444 20 0 EEADRL CN(C(=O)c1cc(F)cc(F)c1[O-])c1nc(CC(=O)[O-])cs1 ZINC001598078173 990385906 /nfs/dbraw/zinc/38/59/06/990385906.db2.gz YTBOWKHUYGMIHH-UHFFFAOYSA-N -2 0 328.296 2.031 20 0 EEADRL CC(C)(NC(=O)c1c([O-])cc(F)cc1F)c1cc(C(=O)[O-])on1 ZINC001590858517 990747286 /nfs/dbraw/zinc/74/72/86/990747286.db2.gz GPXYFVDBPGKQJC-UHFFFAOYSA-N -2 0 326.255 2.022 20 0 EEADRL COCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cn1 ZINC001599293160 997095720 /nfs/dbraw/zinc/09/57/20/997095720.db2.gz LZASBEHXDKZLQI-UHFFFAOYSA-N -2 0 336.369 2.035 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c(C)cc1C ZINC001599445665 998004941 /nfs/dbraw/zinc/00/49/41/998004941.db2.gz VTNGDVPRYGZGLE-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)no2)c(=O)c1CC(=O)[O-] ZINC001594113088 998218886 /nfs/dbraw/zinc/21/88/86/998218886.db2.gz CWFNNRYSLGZFDG-JTQLQIEISA-N -2 0 334.719 2.203 20 0 EEADRL COc1ccc(-c2nnc([N-]C(=O)c3cc(C(=O)[O-])no3)s2)cc1 ZINC001599471180 998452874 /nfs/dbraw/zinc/45/28/74/998452874.db2.gz AOBIFACYWYUUIA-UHFFFAOYSA-N -2 0 346.324 2.152 20 0 EEADRL CO[C@H](CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccn1)C1CCCCC1 ZINC001599055436 999226103 /nfs/dbraw/zinc/22/61/03/999226103.db2.gz GGAWOGYTXQLSGP-CYBMUJFWSA-N -2 0 342.417 2.117 20 0 EEADRL C[C@H](C(=O)[O-])[C@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)c1ccccc1 ZINC000274984061 539703041 /nfs/dbraw/zinc/70/30/41/539703041.db2.gz JYYORAJMOPICOM-QXEWZRGKSA-N -2 0 339.335 2.319 20 0 EEADRL CN(c1ccc2cc[nH]c2c1)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000355882963 153185811 /nfs/dbraw/zinc/18/58/11/153185811.db2.gz SIACEYYGAUYCAZ-UHFFFAOYSA-N -2 0 346.364 2.397 20 0 EEADRL CCc1onc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000340129366 160900644 /nfs/dbraw/zinc/90/06/44/160900644.db2.gz NSHHFFDBQCXHDJ-UHFFFAOYSA-N -2 0 328.321 2.184 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c(F)c1 ZINC000358859426 164001707 /nfs/dbraw/zinc/00/17/07/164001707.db2.gz PVIBHEOJWXORTE-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000362305567 164637305 /nfs/dbraw/zinc/63/73/05/164637305.db2.gz NOUMZBUTRNDEEH-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cn(C)nc2C2CC2)c1C ZINC000291186111 275279510 /nfs/dbraw/zinc/27/95/10/275279510.db2.gz SWMRUJWUZRQOMP-UHFFFAOYSA-N -2 0 349.412 2.413 20 0 EEADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c1 ZINC000436994395 315021532 /nfs/dbraw/zinc/02/15/32/315021532.db2.gz MOWWCHSIIUTNRH-UHFFFAOYSA-N -2 0 343.744 2.250 20 0 EEADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c1 ZINC000436994087 315021607 /nfs/dbraw/zinc/02/16/07/315021607.db2.gz ANMYORRQZGUENJ-UHFFFAOYSA-N -2 0 332.337 2.373 20 0 EEADRL Cn1ncc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C(=O)[O-] ZINC000538089986 318032063 /nfs/dbraw/zinc/03/20/63/318032063.db2.gz NFDXPPGISRWTPI-UHFFFAOYSA-N -2 0 337.401 2.217 20 0 EEADRL C[C@@H](CCC[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000568001836 319443759 /nfs/dbraw/zinc/44/37/59/319443759.db2.gz JMFMXLRMFWPSCM-ZETCQYMHSA-N -2 0 341.763 2.397 20 0 EEADRL CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000577453717 320255794 /nfs/dbraw/zinc/25/57/94/320255794.db2.gz JIABUHBYMBKBON-UHFFFAOYSA-N -2 0 349.364 2.446 20 0 EEADRL O=C([O-])c1ccc(NS(=O)(=O)CCOC(F)(F)F)cc1Cl ZINC000578105063 320294180 /nfs/dbraw/zinc/29/41/80/320294180.db2.gz IQHHAQYUPKKULE-UHFFFAOYSA-N -2 0 347.698 2.316 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2c(F)cccc2F)ccc1C(=O)[O-] ZINC000336871367 465064879 /nfs/dbraw/zinc/06/48/79/465064879.db2.gz FKWAYRUBAGDABS-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL CC[C@@H](C)c1ncc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cn1 ZINC000358492021 465156168 /nfs/dbraw/zinc/15/61/68/465156168.db2.gz FQWKPYXQYJWCJK-LLVKDONJSA-N -2 0 349.412 2.418 20 0 EEADRL CC(C)c1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cn1 ZINC000358496318 465157894 /nfs/dbraw/zinc/15/78/94/465157894.db2.gz KQKOHOMRPPOXES-UHFFFAOYSA-N -2 0 339.348 2.238 20 0 EEADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(CCCC(=O)[O-])cc1 ZINC000134621656 463063539 /nfs/dbraw/zinc/06/35/39/463063539.db2.gz JUDGDDBLCZFKHY-UHFFFAOYSA-N -2 0 337.401 2.235 20 0 EEADRL Cc1cc(C(=O)Nc2ccc3c(c2)CCC3)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000151498937 463541552 /nfs/dbraw/zinc/54/15/52/463541552.db2.gz AMRBPJBITSZBAO-UHFFFAOYSA-N -2 0 336.351 2.073 20 0 EEADRL CCCC[C@H](NS(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-] ZINC000262317076 464000706 /nfs/dbraw/zinc/00/07/06/464000706.db2.gz PMKHBUIVLZBOFI-QMMMGPOBSA-N -2 0 340.323 2.022 20 0 EEADRL CCC[C@H](NC(=O)c1cc(Cl)c(O)c(OCC)c1)c1nnn[n-]1 ZINC000186854485 464074341 /nfs/dbraw/zinc/07/43/41/464074341.db2.gz LBPDWNXSENAUHS-JTQLQIEISA-N -2 0 339.783 2.229 20 0 EEADRL CC(C)c1nc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)cn1C ZINC000654777286 471172237 /nfs/dbraw/zinc/17/22/37/471172237.db2.gz UIAHTYFIBDLNMQ-UHFFFAOYSA-N -2 0 341.364 2.182 20 0 EEADRL Cc1cc2cc([N-]S(=O)(=O)c3n[nH]c(C)c3C(=O)[O-])ccc2[nH]1 ZINC000738478282 578016600 /nfs/dbraw/zinc/01/66/00/578016600.db2.gz HIFKBAWFRGLQQB-UHFFFAOYSA-N -2 0 334.357 2.007 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]C(=O)c2cccc(NC(=O)[O-])c2)c1 ZINC000738743373 577184113 /nfs/dbraw/zinc/18/41/13/577184113.db2.gz DNCMPYWVUOBFQL-UHFFFAOYSA-N -2 0 334.353 2.204 20 0 EEADRL O=C([O-])CCc1nnc([N-]C(=O)c2cc(-c3ccccc3)no2)s1 ZINC000739777824 578067477 /nfs/dbraw/zinc/06/74/77/578067477.db2.gz PTCAYFMLFCUVIJ-UHFFFAOYSA-N -2 0 344.352 2.463 20 0 EEADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cccc2n[nH]cc21 ZINC000740144382 578082671 /nfs/dbraw/zinc/08/26/71/578082671.db2.gz NDRXRUAGTCSQFM-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL CC(C)C[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736403844 578201314 /nfs/dbraw/zinc/20/13/14/578201314.db2.gz LJWBKOSZZSGUMR-VIFPVBQESA-N -2 0 333.431 2.324 20 0 EEADRL C[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000736624843 578215376 /nfs/dbraw/zinc/21/53/76/578215376.db2.gz BQAFFCAMYPZINW-LBPRGKRZSA-N -2 0 347.392 2.069 20 0 EEADRL CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1 ZINC000736892520 578228347 /nfs/dbraw/zinc/22/83/47/578228347.db2.gz UZZYHRZSVMCSGL-LLVKDONJSA-N -2 0 337.401 2.282 20 0 EEADRL CCc1cc2c(C[N@@H+]3CCC[C@H](C(=O)[O-])C3)cc(=O)oc2cc1O ZINC000737251804 578246212 /nfs/dbraw/zinc/24/62/12/578246212.db2.gz GKPSYKRZIQCCNV-LBPRGKRZSA-N -2 0 331.368 2.358 20 0 EEADRL CCc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])n(C)n1 ZINC000737252914 578246258 /nfs/dbraw/zinc/24/62/58/578246258.db2.gz WZFNONVXDUAZRK-UHFFFAOYSA-N -2 0 343.792 2.135 20 0 EEADRL CC(C)[C@@H](CNS(=O)(=O)c1ccc(C(=O)[O-])o1)c1cccnc1 ZINC000826688045 601260222 /nfs/dbraw/zinc/26/02/22/601260222.db2.gz STBVRQDBAIDGGT-GFCCVEGCSA-N -2 0 338.385 2.091 20 0 EEADRL Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])n(C)c1 ZINC000832935677 601784604 /nfs/dbraw/zinc/78/46/04/601784604.db2.gz IPLZTGXHGNWFJW-UHFFFAOYSA-N -2 0 328.777 2.486 20 0 EEADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(F)cc1O ZINC000833294571 602201759 /nfs/dbraw/zinc/20/17/59/602201759.db2.gz KLRCXKLXULVLIT-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL COC[C@](C)(NC(=O)c1cc(Cl)c2ccccc2c1[O-])C(=O)[O-] ZINC000833721841 604730931 /nfs/dbraw/zinc/73/09/31/604730931.db2.gz UJJCFATVHOISLG-INIZCTEOSA-N -2 0 337.759 2.418 20 0 EEADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000833741952 605127489 /nfs/dbraw/zinc/12/74/89/605127489.db2.gz XNCZBFLIQBZJDF-UHFFFAOYSA-N -3 0 341.366 2.254 20 0 EEADRL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)C1CCCCC1 ZINC000314555912 683845602 /nfs/dbraw/zinc/84/56/02/683845602.db2.gz LGVUVLYQHHRCFS-LBPRGKRZSA-N -2 0 333.356 2.277 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c1 ZINC000140030627 1176520242 /nfs/dbraw/zinc/52/02/42/1176520242.db2.gz OYPQCVPIMWXJPU-UHFFFAOYSA-N -4 0 330.248 2.146 20 0 EEADRL Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000863956886 1197936281 /nfs/dbraw/zinc/93/62/81/1197936281.db2.gz IACDFGGGNAYTQS-SNVBAGLBSA-N -2 0 347.820 2.200 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C)ccc1Cl ZINC000863965844 1197939680 /nfs/dbraw/zinc/93/96/80/1197939680.db2.gz NKILSDJYHRCBNJ-NSHDSACASA-N -2 0 347.820 2.200 20 0 EEADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1c(C)cccc1C ZINC000863964682 1197940013 /nfs/dbraw/zinc/94/00/13/1197940013.db2.gz ZSXQMXZUNYHUMA-UHFFFAOYSA-N -2 0 341.429 2.140 20 0 EEADRL COc1cncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1C ZINC001185876409 1278825460 /nfs/dbraw/zinc/82/54/60/1278825460.db2.gz QWHVPIWDIJMBAL-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nccc3cnccc32)ccc1F ZINC001186144409 1278968617 /nfs/dbraw/zinc/96/86/17/1278968617.db2.gz RKVZHOCLJMMHLQ-UHFFFAOYSA-N -2 0 347.327 2.268 20 0 EEADRL Cc1nc(Cl)cc(NC(=O)c2ccccc2OP(=O)([O-])[O-])n1 ZINC001189861294 1280523009 /nfs/dbraw/zinc/52/30/09/1280523009.db2.gz QSQDFEXQGSDGLJ-UHFFFAOYSA-N -2 0 343.663 2.162 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cnc1F ZINC001195195037 1283487411 /nfs/dbraw/zinc/48/74/11/1283487411.db2.gz OKYKLCMIZJQYNF-UHFFFAOYSA-N -2 0 346.286 2.306 20 0 EEADRL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)[N-]c3nnco3)cc2)c1 ZINC001196061263 1283875588 /nfs/dbraw/zinc/87/55/88/1283875588.db2.gz VIUARJAESUCQAX-UHFFFAOYSA-N -2 0 345.336 2.236 20 0 EEADRL CCOC(=O)[C@H]1CCC[C@H]1Oc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234338953 1304884636 /nfs/dbraw/zinc/88/46/36/1304884636.db2.gz MKLBPAFHNISFRF-QWHCGFSZSA-N -2 0 330.273 2.269 20 0 EEADRL NC(=S)c1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc(C2CC2)n1 ZINC001242160847 1309622683 /nfs/dbraw/zinc/62/26/83/1309622683.db2.gz SFUDXBDNXRTQCY-UHFFFAOYSA-N -2 0 343.364 2.052 20 0 EEADRL COC(=O)c1nc(SC)ncc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242160682 1309622788 /nfs/dbraw/zinc/62/27/88/1309622788.db2.gz HWKKNCJRWYCVSS-UHFFFAOYSA-N -2 0 348.336 2.049 20 0 EEADRL O=C([O-])Cc1cccc(-c2cc(C(F)(F)F)c(C(=O)[O-])nn2)c1 ZINC001242264082 1309640388 /nfs/dbraw/zinc/64/03/88/1309640388.db2.gz SIYDEYKIOJLTDB-UHFFFAOYSA-N -2 0 326.230 2.488 20 0 EEADRL O=C1[N-]S(=O)(=O)c2ccc(-c3cc(Cl)c([O-])cc3F)cc21 ZINC001245670278 1310155991 /nfs/dbraw/zinc/15/59/91/1310155991.db2.gz VIZIBGWEXRAIKM-UHFFFAOYSA-N -2 0 327.720 2.284 20 0 EEADRL Cc1nc2c([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)cccn2c1C ZINC001260184976 1319819549 /nfs/dbraw/zinc/81/95/49/1319819549.db2.gz LBYLNDSDROVTJH-UHFFFAOYSA-N -2 0 345.380 2.450 20 0 EEADRL O=C([O-])Cc1c[nH]c2cc(Cl)c(N[C@H]3SC(=O)[N-]C3=O)cc12 ZINC001163673882 1321189176 /nfs/dbraw/zinc/18/91/76/1321189176.db2.gz GYBUEKYROVSNSV-LBPRGKRZSA-N -2 0 339.760 2.169 20 0 EEADRL Cc1c(F)cc(C(=O)[O-])cc1Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001210010167 1325127859 /nfs/dbraw/zinc/12/78/59/1325127859.db2.gz IWVRSIIEVDUCFL-UHFFFAOYSA-N -2 0 346.314 2.390 20 0 EEADRL O=C([O-])C12CC(C(=O)OCc3cc(=O)[nH]c(-c4ccccc4)n3)(C1)C2 ZINC001608581868 1351719863 /nfs/dbraw/zinc/71/98/63/1351719863.db2.gz HVZBLAVKOCTVSU-UHFFFAOYSA-N -2 0 340.335 2.147 20 0 EEADRL O=C([O-])[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])CC2)c2ccccc21 ZINC001608597098 1351722629 /nfs/dbraw/zinc/72/26/29/1351722629.db2.gz CTMJHJNNPCFECO-GVARAGBVSA-N -2 0 331.368 2.307 20 0 EEADRL O=C([O-])[C@@H]1CCCCCN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC001608628905 1351729065 /nfs/dbraw/zinc/72/90/65/1351729065.db2.gz HVNXVGJLNNQJGP-ZDUSSCGKSA-N -2 0 347.346 2.186 20 0 EEADRL O=C([O-])c1ccc(NC(=O)c2c[n-]n3c2nccc3=O)c2ccccc12 ZINC001608902769 1351790620 /nfs/dbraw/zinc/79/06/20/1351790620.db2.gz XRVBBNNJIDJVCS-UHFFFAOYSA-N -2 0 348.318 2.126 20 0 EEADRL O=C([O-])c1cccc2c1CN(C(=O)c1s[n-]c(=O)c1Cl)CC2 ZINC001608942493 1351799695 /nfs/dbraw/zinc/79/96/95/1351799695.db2.gz WIMQJCQJWJUMMN-UHFFFAOYSA-N -2 0 338.772 2.399 20 0 EEADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc2sccc2c1 ZINC001609638685 1352048207 /nfs/dbraw/zinc/04/82/07/1352048207.db2.gz JOISHVSGRJMGQM-RKDXNWHRSA-N -2 0 341.410 2.070 20 0 EEADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)OCC3(CC(=O)[O-])CC3)n2)c1 ZINC001610502881 1352234815 /nfs/dbraw/zinc/23/48/15/1352234815.db2.gz RQRLVPIVBYJOEL-UHFFFAOYSA-N -2 0 348.330 2.437 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2c(C(=O)[O-])ccc3ccccc32)cn1 ZINC001610606894 1352253233 /nfs/dbraw/zinc/25/32/33/1352253233.db2.gz LLZGISYAARJLSW-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL O=C([O-])CCCNC(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC001610769829 1352271551 /nfs/dbraw/zinc/27/15/51/1352271551.db2.gz RZZVKVDBRVTDQN-UHFFFAOYSA-N -2 0 334.250 2.390 20 0 EEADRL C[C@@H]1CCN(c2cccc(C(F)F)c2-c2nn[nH]n2)C[C@@H]1C(=O)[O-] ZINC001590273866 1349242927 /nfs/dbraw/zinc/24/29/27/1349242927.db2.gz BIOVAMNIBGLUIR-SCZZXKLOSA-N -2 0 337.330 2.351 20 0 EEADRL Cc1cc(NS(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])ccc1C(=O)[O-] ZINC001600281565 1350010242 /nfs/dbraw/zinc/01/02/42/1350010242.db2.gz HXLNOLIOMWDLBC-QWHCGFSZSA-N -2 0 341.385 2.078 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)C2(C)CCCCC2)oc1C(=O)[O-] ZINC001600295956 1350013657 /nfs/dbraw/zinc/01/36/57/1350013657.db2.gz ATGDNYUECSDBKK-UHFFFAOYSA-N -2 0 329.374 2.062 20 0 EEADRL Cc1ccc(C)c(S(=O)(=O)[N-]c2cnn(C(C)(C)C(=O)[O-])c2)c1 ZINC001600391826 1350038333 /nfs/dbraw/zinc/03/83/33/1350038333.db2.gz PBSWIRUOLMMZEN-UHFFFAOYSA-N -2 0 337.401 2.120 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cnc3n2CCCC3)c(C(=O)[O-])c1 ZINC001600464086 1350057751 /nfs/dbraw/zinc/05/77/51/1350057751.db2.gz UYJKHZYKFNTOEF-UHFFFAOYSA-N -2 0 335.385 2.027 20 0 EEADRL O=C([O-])CC1(NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])CCC1 ZINC001601933749 1350400870 /nfs/dbraw/zinc/40/08/70/1350400870.db2.gz WPQRZRPANKZUGO-UHFFFAOYSA-N -2 0 349.774 2.359 20 0 EEADRL O=C([O-])CCCc1nnc(NC(=O)c2nccc3cccnc32)s1 ZINC001602003230 1350415623 /nfs/dbraw/zinc/41/56/23/1350415623.db2.gz JNBPPBBMKZLMLX-UHFFFAOYSA-N -2 0 343.368 2.141 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)c1 ZINC001602557800 1350546119 /nfs/dbraw/zinc/54/61/19/1350546119.db2.gz FCFLVFXLBCUGKE-UHFFFAOYSA-N -2 0 347.295 2.423 20 0 EEADRL CC(C)[C@H]([N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)C(F)(F)F ZINC001603980944 1350818544 /nfs/dbraw/zinc/81/85/44/1350818544.db2.gz VXLIUYQUQXHHCT-NSHDSACASA-N -2 0 339.335 2.391 20 0 EEADRL C[C@@H](S[C@H](C)C(=O)Nc1cc(F)cc(C(=O)[O-])c1F)C(=O)[O-] ZINC001604449370 1350940291 /nfs/dbraw/zinc/94/02/91/1350940291.db2.gz QLVDUIHNOSXHRA-PHDIDXHHSA-N -2 0 333.312 2.196 20 0 EEADRL CC[C@@H](CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1ccccc1 ZINC001604980907 1351044925 /nfs/dbraw/zinc/04/49/25/1351044925.db2.gz PKLMSURTZWVFKV-LBPRGKRZSA-N -2 0 341.429 2.127 20 0 EEADRL CCC(CC)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001605014646 1351055114 /nfs/dbraw/zinc/05/51/14/1351055114.db2.gz RPBLXGFEUBQSLF-MRVPVSSYSA-N -2 0 333.431 2.324 20 0 EEADRL CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1cc(C(=O)[O-])nn1C ZINC001605127937 1351082783 /nfs/dbraw/zinc/08/27/83/1351082783.db2.gz JEKPBUQICSJVKD-HNNXBMFYSA-N -2 0 331.372 2.156 20 0 EEADRL CCC1(C(=O)N2C[C@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)CCCCC1 ZINC001605130770 1351083594 /nfs/dbraw/zinc/08/35/94/1351083594.db2.gz YXRGSOOGIXUDLF-YNAXMUEKSA-N -2 0 337.416 2.371 20 0 EEADRL CCCC1(C(=O)[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)CCC1 ZINC001605221437 1351108184 /nfs/dbraw/zinc/10/81/84/1351108184.db2.gz SKACSDVJPLYECV-UHFFFAOYSA-N -2 0 329.374 2.062 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(C(C)C)nc1 ZINC001605885544 1351246549 /nfs/dbraw/zinc/24/65/49/1351246549.db2.gz VVNGXLVKKQVOJY-UHFFFAOYSA-N -2 0 339.373 2.254 20 0 EEADRL COCCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001606925173 1351378093 /nfs/dbraw/zinc/37/80/93/1351378093.db2.gz SLHOLWHWNGTHCX-UHFFFAOYSA-N -2 0 339.369 2.276 20 0 EEADRL Cc1nc2ccc(S(=O)(=O)[N-]c3cnccc3C(=O)[O-])cc2o1 ZINC001607973280 1351595924 /nfs/dbraw/zinc/59/59/24/1351595924.db2.gz JAMHAXNJAXEUCF-UHFFFAOYSA-N -2 0 333.325 2.030 20 0 EEADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)C[C@H]2C=CCCC2)cc1 ZINC001608292097 1351664596 /nfs/dbraw/zinc/66/45/96/1351664596.db2.gz MVUZTVCQZKBACK-LBPRGKRZSA-N -2 0 337.397 2.077 20 0 EEADRL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-][C@H](c1ccnc(F)c1)C1CC1 ZINC001180176885 800286653 /nfs/dbraw/zinc/28/66/53/800286653.db2.gz QKNZQYMQMBFPJS-VIFPVBQESA-N -2 0 338.232 2.143 20 0 EEADRL CN(C)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000321885359 970821046 /nfs/dbraw/zinc/82/10/46/970821046.db2.gz COIKQHFHTWGAJL-UHFFFAOYSA-N -2 0 338.360 2.391 20 0 EEADRL O=C([O-])CC[C@H]1CCCCN1C(=O)CSc1n[n-]c(=S)s1 ZINC001595008081 951229007 /nfs/dbraw/zinc/22/90/07/951229007.db2.gz CUIXVJJJQFWVLD-MRVPVSSYSA-N -2 0 347.487 2.165 20 0 EEADRL O=C([O-])C1(NC(=O)c2cc(Br)cc(F)c2[O-])CCCC1 ZINC001594719794 956965576 /nfs/dbraw/zinc/96/55/76/956965576.db2.gz BXULOABDXSTFAY-UHFFFAOYSA-N -2 0 346.152 2.421 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)s1 ZINC000038058541 957352753 /nfs/dbraw/zinc/35/27/53/957352753.db2.gz VPPMPVMYIRLZJK-UHFFFAOYSA-N -2 0 328.327 2.155 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)ccc1Cl ZINC000232198511 960252773 /nfs/dbraw/zinc/25/27/73/960252773.db2.gz XOHFCFDOGFURTA-UHFFFAOYSA-N -2 0 331.733 2.441 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000314668148 963787106 /nfs/dbraw/zinc/78/71/06/963787106.db2.gz GCPMWRVKGBAWKE-UHFFFAOYSA-N -3 0 341.366 2.254 20 0 EEADRL Cc1cccc([C@@H](NC(=O)c2s[n-]c(=O)c2Cl)C(=O)[O-])c1 ZINC001594398850 970220007 /nfs/dbraw/zinc/22/00/07/970220007.db2.gz GDYGXCOMXVAPBO-SECBINFHSA-N -2 0 326.761 2.366 20 0 EEADRL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nc2)c(Cl)c1 ZINC000317268409 970344754 /nfs/dbraw/zinc/34/47/54/970344754.db2.gz NIUHWEBMOCJLKO-UHFFFAOYSA-N -2 0 337.744 2.106 20 0 EEADRL CCCc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)n[nH]1 ZINC000319524732 970545105 /nfs/dbraw/zinc/54/51/05/970545105.db2.gz LTCDZJQMQWVSFJ-UHFFFAOYSA-N -2 0 327.337 2.000 20 0 EEADRL CC(C)c1ccsc1C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-] ZINC001592003579 976663091 /nfs/dbraw/zinc/66/30/91/976663091.db2.gz XUMBIQXZZTYOSF-RKDXNWHRSA-N -2 0 333.431 2.040 20 0 EEADRL C[C@@H](NC(=O)CC1(CC(=O)[O-])CCC1)c1ncc(C(=O)[O-])s1 ZINC001593014134 980252624 /nfs/dbraw/zinc/25/26/24/980252624.db2.gz FFJVYCOPYIVHOH-MRVPVSSYSA-N -2 0 326.374 2.054 20 0 EEADRL CCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001595586401 981532034 /nfs/dbraw/zinc/53/20/34/981532034.db2.gz YDSVYSMJEZFENT-MRVPVSSYSA-N -2 0 349.355 2.294 20 0 EEADRL CCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC001595586441 981532848 /nfs/dbraw/zinc/53/28/48/981532848.db2.gz ZNMOFIDBFARLFV-LLVKDONJSA-N -2 0 327.402 2.324 20 0 EEADRL CCOCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1 ZINC001596950009 986105870 /nfs/dbraw/zinc/10/58/70/986105870.db2.gz PIWPAIVYXPELQB-UHFFFAOYSA-N -2 0 325.342 2.315 20 0 EEADRL CCn1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)cn1 ZINC001597896417 989761996 /nfs/dbraw/zinc/76/19/96/989761996.db2.gz HUGDKVBYEIMLSW-UHFFFAOYSA-N -2 0 337.401 2.066 20 0 EEADRL CC(C)[C@H](CNC(=O)Nc1ccc(OCCC(=O)[O-])cc1)C(=O)[O-] ZINC001590989520 991199979 /nfs/dbraw/zinc/19/99/79/991199979.db2.gz XLHTYKMESMNQEL-ZDUSSCGKSA-N -2 0 338.360 2.018 20 0 EEADRL CC(C)[C@H](CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)C(=O)[O-] ZINC001590989645 991202375 /nfs/dbraw/zinc/20/23/75/991202375.db2.gz ZIWOWDONNSPJNF-ZETCQYMHSA-N -2 0 330.287 2.141 20 0 EEADRL COc1ccc(-n2[n-]c(C)c(CC(=O)[O-])c2=O)c(Br)c1 ZINC001599586817 993624413 /nfs/dbraw/zinc/62/44/13/993624413.db2.gz XOAMECUDNDZULU-VIFPVBQESA-N -2 0 341.161 2.271 20 0 EEADRL COCc1ccccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000070156604 202308984 /nfs/dbraw/zinc/30/89/84/202308984.db2.gz LTHGAFFHRMRDBF-UHFFFAOYSA-N -2 0 327.383 2.394 20 0 EEADRL CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000075572506 202380678 /nfs/dbraw/zinc/38/06/78/202380678.db2.gz YVYGFHNLAWEPDU-UHFFFAOYSA-N -2 0 343.792 2.233 20 0 EEADRL O=C([O-])c1ccn(-c2ccccc2[N-]S(=O)(=O)c2ccccc2)n1 ZINC000069974691 203068019 /nfs/dbraw/zinc/06/80/19/203068019.db2.gz FAALJHQECBNMJM-UHFFFAOYSA-N -2 0 343.364 2.371 20 0 EEADRL COc1ncccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000042794506 204146178 /nfs/dbraw/zinc/14/61/78/204146178.db2.gz RLSZMQIYAWRRQZ-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL CCc1onc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000270464187 256138251 /nfs/dbraw/zinc/13/82/51/256138251.db2.gz XNAGJTXLBRIKRW-UHFFFAOYSA-N -2 0 342.348 2.492 20 0 EEADRL COc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC000345684239 161322674 /nfs/dbraw/zinc/32/26/74/161322674.db2.gz QCDJDXCEJOCAAE-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000349042569 161503272 /nfs/dbraw/zinc/50/32/72/161503272.db2.gz UUNDLLUAVRLAJA-SNVBAGLBSA-N -2 0 337.401 2.108 20 0 EEADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C3CC3)n(C)n2)cc1C(=O)[O-] ZINC000290564192 275218592 /nfs/dbraw/zinc/21/85/92/275218592.db2.gz SGQMBTSENYMMCM-UHFFFAOYSA-N -2 0 349.412 2.413 20 0 EEADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccn(C(C)C)n2)c1F ZINC000281182870 292739583 /nfs/dbraw/zinc/73/95/83/292739583.db2.gz QRYZBNHDLBWGFC-UHFFFAOYSA-N -2 0 341.364 2.411 20 0 EEADRL CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c1 ZINC000436996591 315021568 /nfs/dbraw/zinc/02/15/68/315021568.db2.gz UHJZOZLFGSULGU-UHFFFAOYSA-N -2 0 349.364 2.484 20 0 EEADRL O=C([O-])C[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3F)cc2[O-])C1 ZINC000565457781 319183885 /nfs/dbraw/zinc/18/38/85/319183885.db2.gz GISFEZWAJKZKDZ-NSHDSACASA-N -2 0 347.346 2.044 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000341265527 465082149 /nfs/dbraw/zinc/08/21/49/465082149.db2.gz AXEVLKJHJMJFBB-UHFFFAOYSA-N -2 0 349.364 2.121 20 0 EEADRL O=C([O-])[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000013469624 462894089 /nfs/dbraw/zinc/89/40/89/462894089.db2.gz NHADPFZBCHSBDP-GFCCVEGCSA-N -2 0 330.296 2.497 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2c[nH]c3ncccc23)cccc1C(=O)[O-] ZINC000068182801 463102287 /nfs/dbraw/zinc/10/22/87/463102287.db2.gz IEXLYGKLFLCHON-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1F ZINC000096744472 463298606 /nfs/dbraw/zinc/29/86/06/463298606.db2.gz LODXLNXVNLMMBC-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)oc32)c1 ZINC000357345402 465966800 /nfs/dbraw/zinc/96/68/00/465966800.db2.gz RYLVAJNSQPPLKM-UHFFFAOYSA-N -2 0 340.338 2.094 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cccc3c2OCCO3)cc1C(=O)[O-] ZINC000362125840 466574743 /nfs/dbraw/zinc/57/47/43/466574743.db2.gz PUKJGPZONARGLH-UHFFFAOYSA-N -2 0 349.364 2.265 20 0 EEADRL CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000320328302 466607187 /nfs/dbraw/zinc/60/71/87/466607187.db2.gz XXXMYVMUCLVSIJ-UHFFFAOYSA-N -2 0 338.341 2.045 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)c[nH]1 ZINC000471982689 467985049 /nfs/dbraw/zinc/98/50/49/467985049.db2.gz CQWUPQSWVPHGCF-UHFFFAOYSA-N -2 0 334.712 2.012 20 0 EEADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NC2(C(=O)[O-])CCCC2)n1 ZINC000532668833 468130205 /nfs/dbraw/zinc/13/02/05/468130205.db2.gz BVXUYNRHAKCVMF-UHFFFAOYSA-N -2 0 347.346 2.153 20 0 EEADRL O=c1[nH]c(-c2ccc(N3CCC(O)CC3)nc2)nc2ccc(O)cc12 ZINC000562292738 468931680 /nfs/dbraw/zinc/93/16/80/468931680.db2.gz AMACAHKAEABPEZ-UHFFFAOYSA-N -2 0 338.367 2.064 20 0 EEADRL CC(C)[C@H](C(=O)[O-])C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000647732650 470970685 /nfs/dbraw/zinc/97/06/85/470970685.db2.gz QXJHXZFRVWVVPW-HNNXBMFYSA-N -2 0 333.384 2.448 20 0 EEADRL CC(C)[C@@H](CNC(=O)N=c1[n-]nc(-c2ccccc2)s1)C(=O)[O-] ZINC000653534801 471654553 /nfs/dbraw/zinc/65/45/53/471654553.db2.gz YFDXHNIIQLKFMC-LLVKDONJSA-N -2 0 334.401 2.105 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cccc3c2OCCO3)cc(C(=O)[O-])c1 ZINC000507566130 485503935 /nfs/dbraw/zinc/50/39/35/485503935.db2.gz MYOMTBZDRWQUTJ-UHFFFAOYSA-N -2 0 349.364 2.265 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2cccc3c2ccn3C)cc1C(=O)[O-] ZINC000535765995 490616737 /nfs/dbraw/zinc/61/67/37/490616737.db2.gz UQXLGGGJGOAJFQ-UHFFFAOYSA-N -2 0 347.396 2.499 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)sc1C(=O)[O-] ZINC000738477801 578016564 /nfs/dbraw/zinc/01/65/64/578016564.db2.gz GHXYMOMYOHKDKM-UHFFFAOYSA-N -2 0 347.805 2.307 20 0 EEADRL Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1C(=O)[O-] ZINC000738736784 577182161 /nfs/dbraw/zinc/18/21/61/577182161.db2.gz WHGVNEHDMWRSSI-UHFFFAOYSA-N -3 0 341.366 2.254 20 0 EEADRL O=C(/C=C/C1CCCCC1)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000739210481 578044039 /nfs/dbraw/zinc/04/40/39/578044039.db2.gz SCTCXTXXGUMCLQ-VOTSOKGWSA-N -2 0 343.426 2.388 20 0 EEADRL O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000315194032 597313944 /nfs/dbraw/zinc/31/39/44/597313944.db2.gz KYLJDSNDPHSXPK-UHFFFAOYSA-N -2 0 327.308 2.393 20 0 EEADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCC[C@H]3C(=O)[O-])n2)c1 ZINC000820057503 597456120 /nfs/dbraw/zinc/45/61/20/597456120.db2.gz JEERCGPWFMVYFT-AWEZNQCLSA-N -2 0 343.383 2.391 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)F)o1 ZINC000314549100 599735015 /nfs/dbraw/zinc/73/50/15/599735015.db2.gz YQYVKHGZJRMLPC-UHFFFAOYSA-N -2 0 333.268 2.380 20 0 EEADRL CN(C)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000037047695 600105094 /nfs/dbraw/zinc/10/50/94/600105094.db2.gz ZCQFNVOROOMWQC-UHFFFAOYSA-N -2 0 326.399 2.313 20 0 EEADRL C/C(=C/C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)C(C)(C)C ZINC000825723912 600940964 /nfs/dbraw/zinc/94/09/64/600940964.db2.gz DJTPHGCCJLDRPR-FPLPWBNLSA-N -2 0 331.415 2.244 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c(OC)c1 ZINC000832413238 601231163 /nfs/dbraw/zinc/23/11/63/601231163.db2.gz LNGDANKOJHCYBK-UHFFFAOYSA-N -2 0 341.341 2.104 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000315889866 601357464 /nfs/dbraw/zinc/35/74/64/601357464.db2.gz PKVPJCFDHOWDDM-UHFFFAOYSA-N -3 0 341.366 2.254 20 0 EEADRL CCOc1cccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)n1 ZINC000830104639 601362417 /nfs/dbraw/zinc/36/24/17/601362417.db2.gz KNYFVEOJFGEKSC-DHZHZOJOSA-N -2 0 348.380 2.379 20 0 EEADRL CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)n1 ZINC000830104850 601362434 /nfs/dbraw/zinc/36/24/34/601362434.db2.gz WMIXOILDDXJAIT-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL Cc1nc(C)c([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])s1 ZINC000832995829 601487353 /nfs/dbraw/zinc/48/73/53/601487353.db2.gz KUBHVCFFSKAJTG-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1nnc(C(C)C)s1 ZINC000832867948 601503914 /nfs/dbraw/zinc/50/39/14/601503914.db2.gz HBBJROCUHOSXQJ-UHFFFAOYSA-N -2 0 341.414 2.469 20 0 EEADRL C[C@H]1CC/C(=C\C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000828201215 601546421 /nfs/dbraw/zinc/54/64/21/601546421.db2.gz QINGMTJAMYXMNE-GJSJWPQCSA-N -2 0 337.397 2.077 20 0 EEADRL CCCCC[C@@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])C(=O)[O-] ZINC000829339344 601760815 /nfs/dbraw/zinc/76/08/15/601760815.db2.gz HZBRROBTKBXGHQ-CYBMUJFWSA-N -2 0 331.372 2.341 20 0 EEADRL CC(C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)n[nH]1 ZINC000827113239 601851316 /nfs/dbraw/zinc/85/13/16/601851316.db2.gz YUGKOFNZZNKERV-UHFFFAOYSA-N -2 0 345.327 2.310 20 0 EEADRL O=C([O-])c1nscc1[N-]S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000833346311 602155629 /nfs/dbraw/zinc/15/56/29/602155629.db2.gz IAVVARLYYZXKRZ-AATRIKPKSA-N -2 0 328.346 2.393 20 0 EEADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)nc1 ZINC000833317839 602157859 /nfs/dbraw/zinc/15/78/59/602157859.db2.gz KUKSRTSIZBOXRM-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL Cc1scc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1C ZINC000833759065 605021341 /nfs/dbraw/zinc/02/13/41/605021341.db2.gz KSCCAYRLIBFAOZ-UHFFFAOYSA-N -2 0 345.423 2.243 20 0 EEADRL CC(C)(C)OCC[C@H](NC(=O)c1cccc(NC(=O)[O-])c1)C(=O)[O-] ZINC000833445730 605230596 /nfs/dbraw/zinc/23/05/96/605230596.db2.gz PABPOUCYTJZRGJ-LBPRGKRZSA-N -2 0 338.360 2.165 20 0 EEADRL CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CCC1 ZINC000863962359 1197939098 /nfs/dbraw/zinc/93/90/98/1197939098.db2.gz IKGOMHZBAJXBRV-CYBMUJFWSA-N -2 0 339.413 2.085 20 0 EEADRL CCCn1cc([N-]S(=O)(=O)c2ccc(CC)c(C(=O)[O-])c2)cn1 ZINC000137569525 1202489527 /nfs/dbraw/zinc/48/95/27/1202489527.db2.gz RZVAPOWXGJIOLG-UHFFFAOYSA-N -2 0 337.401 2.355 20 0 EEADRL Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000193497666 1210858652 /nfs/dbraw/zinc/85/86/52/1210858652.db2.gz IOEXPJNKARETEO-UHFFFAOYSA-N -2 0 340.788 2.471 20 0 EEADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ncc(F)cc2O)c1 ZINC001187553435 1279580525 /nfs/dbraw/zinc/58/05/25/1279580525.db2.gz QEHCRYMWXYXCMI-UHFFFAOYSA-N -2 0 346.723 2.079 20 0 EEADRL O=C(Nc1ccc2c(c1)OCO2)c1ccccc1OP(=O)([O-])[O-] ZINC001189860424 1280522691 /nfs/dbraw/zinc/52/26/91/1280522691.db2.gz GXHHQLRDUANILC-UHFFFAOYSA-N -2 0 337.224 2.139 20 0 EEADRL O=S(=O)([O-])c1c([N-]S(=O)(=O)CCCF)ccc2ccccc21 ZINC001189916417 1280549821 /nfs/dbraw/zinc/54/98/21/1280549821.db2.gz ZGUZTGGVHWZOOI-UHFFFAOYSA-N -2 0 347.389 2.188 20 0 EEADRL C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189913775 1280550313 /nfs/dbraw/zinc/55/03/13/1280550313.db2.gz AXTUYCXEUSUYRW-NXEZZACHSA-N -2 0 341.385 2.035 20 0 EEADRL Cc1cc(-c2noc(-c3cc(S(=O)(=O)[O-])ccc3[O-])n2)cnc1C ZINC001215454189 1296909842 /nfs/dbraw/zinc/90/98/42/1296909842.db2.gz NANIQXGASMEHIZ-UHFFFAOYSA-N -2 0 347.352 2.368 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1C(=O)[O-] ZINC000321177231 1300289253 /nfs/dbraw/zinc/28/92/53/1300289253.db2.gz ZDXNSPSWZPUWND-UHFFFAOYSA-N -2 0 340.357 2.189 20 0 EEADRL O=P([O-])([O-])Oc1ccc(OC[C@@H]2COc3ccccc3O2)cc1 ZINC001234339665 1304885631 /nfs/dbraw/zinc/88/56/31/1304885631.db2.gz RKTRQFOZJLJNCK-CYBMUJFWSA-N -2 0 338.252 2.377 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC001242162585 1309623764 /nfs/dbraw/zinc/62/37/64/1309623764.db2.gz HCJWOJFOUCPBLG-UHFFFAOYSA-N -2 0 328.259 2.069 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cn(CC3CCC3)cn2)cc1 ZINC001260223655 1319836405 /nfs/dbraw/zinc/83/64/05/1319836405.db2.gz WACUZKONTVJVOX-UHFFFAOYSA-N -2 0 335.385 2.182 20 0 EEADRL Cc1nccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259213144 1319487734 /nfs/dbraw/zinc/48/77/34/1319487734.db2.gz JBLVZOFOOPFGMN-UHFFFAOYSA-N -2 0 345.739 2.077 20 0 EEADRL O=C([O-])c1cncc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)c1 ZINC001602543654 1350542730 /nfs/dbraw/zinc/54/27/30/1350542730.db2.gz OVGFYNBNDLYSEQ-UHFFFAOYSA-N -2 0 344.295 2.182 20 0 EEADRL O=C([O-])c1cncc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)c1 ZINC001602543795 1350542822 /nfs/dbraw/zinc/54/28/22/1350542822.db2.gz UDJAZILHGHORKH-UHFFFAOYSA-N -2 0 348.380 2.369 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC2CCCC2)oc1C(=O)[O-] ZINC001607703329 1351542767 /nfs/dbraw/zinc/54/27/67/1351542767.db2.gz YYJFGAJZCWZZPA-JTQLQIEISA-N -2 0 343.401 2.308 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)oc1Cl ZINC001608861086 1351780337 /nfs/dbraw/zinc/78/03/37/1351780337.db2.gz OYPHDAIBHJZZHD-ZCFIWIBFSA-N -2 0 343.735 2.345 20 0 EEADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)CC1CCC(C)(C)CC1 ZINC001609639069 1352048139 /nfs/dbraw/zinc/04/81/39/1352048139.db2.gz QEZYAZZLMQLRKE-WDEREUQCSA-N -2 0 333.450 2.148 20 0 EEADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CC1CCC(C(C)(C)C)CC1 ZINC001609642403 1352048518 /nfs/dbraw/zinc/04/85/18/1352048518.db2.gz QDIFSAOZNGXCKB-UNXYVOJBSA-N -2 0 333.450 2.148 20 0 EEADRL CC(C)c1nc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])no1 ZINC001609721945 1352069111 /nfs/dbraw/zinc/06/91/11/1352069111.db2.gz VFAUGZQIQLYQBX-UHFFFAOYSA-N -2 0 345.764 2.345 20 0 EEADRL CCC/C(C)=C/C(=O)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001609954861 1352129211 /nfs/dbraw/zinc/12/92/11/1352129211.db2.gz UWVGMMJMRLFWOB-JXMROGBWSA-N -2 0 343.376 2.004 20 0 EEADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C2CC2)n1 ZINC001610289157 1352200427 /nfs/dbraw/zinc/20/04/27/1352200427.db2.gz LROGMBJOQBOVJZ-UHFFFAOYSA-N -2 0 348.380 2.467 20 0 EEADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)CC(C)(C)C ZINC001610400467 1352216778 /nfs/dbraw/zinc/21/67/78/1352216778.db2.gz YEWDLWXHVMPLDI-JTQLQIEISA-N -2 0 329.418 2.362 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)o2)cc1C(=O)[O-] ZINC001610586780 1352250007 /nfs/dbraw/zinc/25/00/07/1352250007.db2.gz FFCGLAOQDCSOKN-UHFFFAOYSA-N -2 0 349.324 2.137 20 0 EEADRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)c3ccoc3)nc2n1 ZINC001600107831 1349972735 /nfs/dbraw/zinc/97/27/35/1349972735.db2.gz QCRCNLDELJVNNJ-UHFFFAOYSA-N -2 0 339.354 2.092 20 0 EEADRL Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)n1 ZINC001600182373 1349987331 /nfs/dbraw/zinc/98/73/31/1349987331.db2.gz DCRVVCCKPJEPAL-UHFFFAOYSA-N -2 0 349.412 2.256 20 0 EEADRL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1F ZINC001600342692 1350024685 /nfs/dbraw/zinc/02/46/85/1350024685.db2.gz ZXUISWUFCILXEL-UHFFFAOYSA-N -2 0 343.357 2.013 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2cccnc2)on1 ZINC001600836958 1350148090 /nfs/dbraw/zinc/14/80/90/1350148090.db2.gz YEJJDTGEJOUPMJ-UHFFFAOYSA-N -2 0 349.324 2.137 20 0 EEADRL Cc1sc([N-]S(=O)(=O)c2cc(C(=O)[O-])cn2C)nc1C(C)C ZINC001600889236 1350160873 /nfs/dbraw/zinc/16/08/73/1350160873.db2.gz BBRGXEIFUNQLGA-UHFFFAOYSA-N -2 0 343.430 2.412 20 0 EEADRL O=C([O-])c1ncoc1CCC(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC001601297325 1350251540 /nfs/dbraw/zinc/25/15/40/1350251540.db2.gz VKGMOAOODWULJD-UHFFFAOYSA-N -2 0 342.311 2.040 20 0 EEADRL O=C([O-])[C@@H]1C[C@H](NC(=O)c2cccc(C(F)(F)F)c2[O-])[C@H]2C[C@H]21 ZINC001601573182 1350310304 /nfs/dbraw/zinc/31/03/04/1350310304.db2.gz HNVJPFGUCIEVCA-LOKLDPHHSA-N -2 0 329.274 2.250 20 0 EEADRL O=C([O-])C1CC2(C1)CN(C(=O)/C=C/C1CCCCC1)C[C@@H]2C(=O)[O-] ZINC001601784621 1350363802 /nfs/dbraw/zinc/36/38/02/1350363802.db2.gz VRAAFHHFOZGKPX-JUQGSMHSSA-N -2 0 335.400 2.147 20 0 EEADRL O=C([O-])CCC(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001601970687 1350408284 /nfs/dbraw/zinc/40/82/84/1350408284.db2.gz DCERNSZDWZBQQT-UHFFFAOYSA-N -2 0 334.097 2.090 20 0 EEADRL O=C([O-])CC[C@@H]1Cc2ccccc2N(Cc2cc(C(=O)[O-])no2)C1 ZINC001601979456 1350410342 /nfs/dbraw/zinc/41/03/42/1350410342.db2.gz SERGYNBWWZSEDV-LLVKDONJSA-N -2 0 330.340 2.417 20 0 EEADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2ccnn2C2CCC2)cc1 ZINC001602128593 1350445600 /nfs/dbraw/zinc/44/56/00/1350445600.db2.gz PTOMJIYLMDGGGV-UHFFFAOYSA-N -2 0 335.385 2.036 20 0 EEADRL O=C([O-])c1cc(CNC(=O)c2cccc(C(F)(F)F)c2[O-])ccn1 ZINC001602259069 1350479974 /nfs/dbraw/zinc/47/99/74/1350479974.db2.gz UEIYGDXDBVDIOV-UHFFFAOYSA-N -2 0 340.257 2.434 20 0 EEADRL O=C([O-])c1ccccc1CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC001602465573 1350525254 /nfs/dbraw/zinc/52/52/54/1350525254.db2.gz YTPDOSIPNLTSFN-ILXRZTDVSA-N -2 0 331.368 2.029 20 0 EEADRL O=C([O-])c1nscc1[N-]S(=O)(=O)/C=C\c1ccccc1F ZINC001602587213 1350552165 /nfs/dbraw/zinc/55/21/65/1350552165.db2.gz XNHDWRYWARKENX-WAYWQWQTSA-N -2 0 328.346 2.393 20 0 EEADRL CC(C)Cc1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])cc1 ZINC001603848130 1350781917 /nfs/dbraw/zinc/78/19/17/1350781917.db2.gz ZHLUSMPHBPHXPC-NWDGAFQWSA-N -2 0 341.429 2.054 20 0 EEADRL C[C@H](CCC[C@H](C)NS(=O)(=O)c1csc(C(=O)[O-])c1)C(=O)[O-] ZINC001604132968 1350868094 /nfs/dbraw/zinc/86/80/94/1350868094.db2.gz WFJZJLJRAUWMAI-BDAKNGLRSA-N -2 0 349.430 2.004 20 0 EEADRL CCc1ccsc1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001605836497 1351232804 /nfs/dbraw/zinc/23/28/04/1351232804.db2.gz HOQHXVCOHSFCFY-UHFFFAOYSA-N -2 0 345.423 2.189 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ncccc1Cl ZINC001605885530 1351246672 /nfs/dbraw/zinc/24/66/72/1351246672.db2.gz VJEZNPIGPNDJGK-UHFFFAOYSA-N -2 0 330.749 2.389 20 0 EEADRL COCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C)n1 ZINC001606955400 1351383720 /nfs/dbraw/zinc/38/37/20/1351383720.db2.gz CFUIFWUQQKFNMK-UHFFFAOYSA-N -2 0 336.369 2.035 20 0 EEADRL COCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccnc1C ZINC001606956798 1351384561 /nfs/dbraw/zinc/38/45/61/1351384561.db2.gz USUUSKHCXBHZRH-UHFFFAOYSA-N -2 0 336.369 2.035 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])c(O)c1 ZINC001607277366 1351463730 /nfs/dbraw/zinc/46/37/30/1351463730.db2.gz QMWRMXCKVNXFTQ-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL Cc1oc(S(=O)(=O)[N-][C@](C)(C2CC2)C(F)(F)F)cc1C(=O)[O-] ZINC001608057159 1351615708 /nfs/dbraw/zinc/61/57/08/1351615708.db2.gz XRHLBPCILWTQGN-LLVKDONJSA-N -2 0 341.307 2.296 20 0 EEADRL CCOc1ccc(S(=O)(=O)C=C([O-])c2cc(C(=O)[O-])co2)cc1 ZINC001605699863 1404750420 /nfs/dbraw/zinc/75/04/20/1404750420.db2.gz KBXMVZUHGUTZOU-UHFFFAOYSA-N -2 0 338.337 2.033 20 0 EEADRL O=P([O-])([O-])OCCNc1nc(Br)ccc1Cl ZINC001168591434 790755245 /nfs/dbraw/zinc/75/52/45/790755245.db2.gz QEAXCLMUBPOYCK-UHFFFAOYSA-N -2 0 331.490 2.019 20 0 EEADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000907024531 784331295 /nfs/dbraw/zinc/33/12/95/784331295.db2.gz FOLVCOJUJVWPML-JQWIXIFHSA-N -2 0 325.386 2.044 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(C(F)F)cc2)C1 ZINC000910186259 786518740 /nfs/dbraw/zinc/51/87/40/786518740.db2.gz PDEIMXQLFOPQIV-QWRGUYRKSA-N -2 0 327.283 2.014 20 0 EEADRL CC[C@H](CC1CCCC1)C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910188247 786520375 /nfs/dbraw/zinc/52/03/75/786520375.db2.gz KJDHTBYUANMWGZ-HZSPNIEDSA-N -2 0 325.405 2.369 20 0 EEADRL C[C@H](CC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000910188602 786521189 /nfs/dbraw/zinc/52/11/89/786521189.db2.gz MUMNLPMTIBWXRM-SCDSUCTJSA-N -2 0 337.347 2.096 20 0 EEADRL Cc1cc(Cl)cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1 ZINC000910190735 786522844 /nfs/dbraw/zinc/52/28/44/786522844.db2.gz CEYRLPKWDJNLFO-JOYOIKCWSA-N -2 0 325.748 2.038 20 0 EEADRL C[C@H](CCCc1ccccc1)C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910190726 786523043 /nfs/dbraw/zinc/52/30/43/786523043.db2.gz BWKHJVWTZLMCQK-KBMXLJTQSA-N -2 0 347.411 2.422 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc3cccnc32)s1 ZINC000821106083 786624053 /nfs/dbraw/zinc/62/40/53/786624053.db2.gz BXCWBJZDDODYEO-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL CCCN(C(=O)c1nn(-c2cccc(F)c2)cc1[O-])[C@@H](C)C(=O)[O-] ZINC000911709895 787649433 /nfs/dbraw/zinc/64/94/33/787649433.db2.gz XSMITVHHFUCQSQ-JTQLQIEISA-N -2 0 335.335 2.042 20 0 EEADRL COc1cc(C(=O)[O-])ccc1Nc1nc[n-]c(=O)c1Br ZINC001174675377 797829212 /nfs/dbraw/zinc/82/92/12/797829212.db2.gz ZGUPWDBLLJIETQ-UHFFFAOYSA-N -2 0 340.133 2.395 20 0 EEADRL O=C([O-])c1cc(Nc2nccnc2Br)cc(C(=O)[O-])c1 ZINC001176240273 798391029 /nfs/dbraw/zinc/39/10/29/798391029.db2.gz VQYZDWQBSYMBON-UHFFFAOYSA-N -2 0 338.117 2.379 20 0 EEADRL O=C([O-])c1cc(Nc2ccc3c(cnn3CCO)c2)cc(C(=O)[O-])c1 ZINC001176241617 798392450 /nfs/dbraw/zinc/39/24/50/798392450.db2.gz OHGYLDPQZCBOEV-UHFFFAOYSA-N -2 0 341.323 2.169 20 0 EEADRL CCn1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c2ccccc21 ZINC000823584096 798745286 /nfs/dbraw/zinc/74/52/86/798745286.db2.gz YXSNQRBSKWIOHG-ABAIWWIYSA-N -2 0 344.367 2.051 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2nccc3cnccc32)cc1C(=O)[O-] ZINC001184664243 802124638 /nfs/dbraw/zinc/12/46/38/802124638.db2.gz PHSGYESPRDRKDT-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL COc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC)c1 ZINC000322986160 970955574 /nfs/dbraw/zinc/95/55/74/970955574.db2.gz XIPTWGDUVSLFIL-UHFFFAOYSA-N -2 0 337.353 2.203 20 0 EEADRL Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000323446439 971006184 /nfs/dbraw/zinc/00/61/84/971006184.db2.gz DULKWDGIQOSNFX-UHFFFAOYSA-N -2 0 339.329 2.039 20 0 EEADRL O=C([O-])c1cccnc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000110992147 949227612 /nfs/dbraw/zinc/22/76/12/949227612.db2.gz WAEOUTFHRLXFRQ-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL Cc1cc(C(=O)[O-])cc(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)c1 ZINC001594289470 957814517 /nfs/dbraw/zinc/81/45/17/957814517.db2.gz YHMSJAIOIZWHRH-UHFFFAOYSA-N -2 0 338.323 2.436 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2ccn(C(C)(C)C(=O)[O-])n2)c(C)s1 ZINC001594330820 958216605 /nfs/dbraw/zinc/21/66/05/958216605.db2.gz SUYGCQNXORAMFA-UHFFFAOYSA-N -2 0 343.430 2.182 20 0 EEADRL Cn1nc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260221180 960711685 /nfs/dbraw/zinc/71/16/85/960711685.db2.gz BYJRCHYOGRVCDH-UHFFFAOYSA-N -2 0 337.401 2.217 20 0 EEADRL CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCCC(=O)[O-] ZINC001588835102 961760739 /nfs/dbraw/zinc/76/07/39/961760739.db2.gz DAIPGPAJVCMZTA-OAHLLOKOSA-N -2 0 327.402 2.085 20 0 EEADRL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cc(C)on1 ZINC000314190257 963723235 /nfs/dbraw/zinc/72/32/35/963723235.db2.gz GFGZSTLMHKZKIS-UHFFFAOYSA-N -2 0 346.748 2.144 20 0 EEADRL O=C([O-])CCCCCC[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000315078203 963854685 /nfs/dbraw/zinc/85/46/85/963854685.db2.gz JYQREOKCCLKJQJ-UHFFFAOYSA-N -2 0 339.335 2.417 20 0 EEADRL CC(C)n1cc(S(=O)(=O)[N-]c2cccc(CCC(=O)[O-])c2)cn1 ZINC001592130727 976960505 /nfs/dbraw/zinc/96/05/05/976960505.db2.gz HLFCIPPJPLWHDK-UHFFFAOYSA-N -2 0 337.401 2.282 20 0 EEADRL CC(C)n1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)n1 ZINC001592145528 977002995 /nfs/dbraw/zinc/00/29/95/977002995.db2.gz LSYVLAMHDYDWAS-UHFFFAOYSA-N -2 0 344.780 2.011 20 0 EEADRL C[C@](CNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)(C(=O)[O-])c1ccccc1 ZINC001592647741 978628760 /nfs/dbraw/zinc/62/87/60/978628760.db2.gz NOHZIJPXFFYWLT-ZJNRKIDTSA-N -2 0 333.384 2.036 20 0 EEADRL CCCc1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])sc1C ZINC001596055623 983359098 /nfs/dbraw/zinc/35/90/98/983359098.db2.gz UCTPFCFOICXFCO-WPRPVWTQSA-N -2 0 347.458 2.178 20 0 EEADRL CCCc1nc(C)c([N-]S(=O)(=O)c2occc2C(=O)[O-])s1 ZINC001596090178 983415399 /nfs/dbraw/zinc/41/53/99/983415399.db2.gz WVPSRGHJKIGVAQ-UHFFFAOYSA-N -2 0 330.387 2.496 20 0 EEADRL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F)C(F)(F)F ZINC001597351260 987494355 /nfs/dbraw/zinc/49/43/55/987494355.db2.gz XPAMAASOKXAXTC-JTQLQIEISA-N -2 0 343.298 2.452 20 0 EEADRL CCc1nn(C)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1CC ZINC001597466209 987910445 /nfs/dbraw/zinc/91/04/45/987910445.db2.gz MZBRLXOYPMBTSG-UHFFFAOYSA-N -2 0 337.401 2.044 20 0 EEADRL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nn2)cc1 ZINC001590501373 990118562 /nfs/dbraw/zinc/11/85/62/990118562.db2.gz YTFQRDIZBOBQKT-UHFFFAOYSA-N -2 0 335.385 2.273 20 0 EEADRL COc1ncccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001599737609 991797776 /nfs/dbraw/zinc/79/77/76/991797776.db2.gz OZSKPGDKLNGCAX-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])cc1 ZINC001593659445 996035390 /nfs/dbraw/zinc/03/53/90/996035390.db2.gz SVMSLTMRRDOUFJ-UTLUCORTSA-N -2 0 325.386 2.408 20 0 EEADRL COCC[C@H](NC(=O)c1cc(Cl)c2ccccc2c1[O-])C(=O)[O-] ZINC001599216039 997583975 /nfs/dbraw/zinc/58/39/75/997583975.db2.gz GGTBRFJOHSRZOD-ZDUSSCGKSA-N -2 0 337.759 2.418 20 0 EEADRL COc1c(OS(=O)(=O)c2cc(C(=O)[O-])n[n-]2)ccc2ccccc21 ZINC001599345853 998005038 /nfs/dbraw/zinc/00/50/38/998005038.db2.gz ZUIZCCYSZXDYKF-UHFFFAOYSA-N -2 0 348.336 2.037 20 0 EEADRL Cc1[n-]n(-c2cc(Br)ccc2F)c(=O)c1CC(=O)[O-] ZINC001594114767 998240764 /nfs/dbraw/zinc/24/07/64/998240764.db2.gz IGLAIWAAOAEZCX-QMMMGPOBSA-N -2 0 329.125 2.402 20 0 EEADRL COc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C(=O)[O-] ZINC001599459218 998242165 /nfs/dbraw/zinc/24/21/65/998242165.db2.gz HECIGWBDRRMRCL-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000064467704 214788094 /nfs/dbraw/zinc/78/80/94/214788094.db2.gz QWHVTNJWULZUEJ-UHFFFAOYSA-N -2 0 349.364 2.281 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)cc1C(=O)[O-] ZINC000324099208 539753474 /nfs/dbraw/zinc/75/34/74/539753474.db2.gz CHOYKFLVIOEWAW-UHFFFAOYSA-N -2 0 336.369 2.037 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)cc1C(=O)[O-] ZINC000348910907 539859039 /nfs/dbraw/zinc/85/90/39/539859039.db2.gz XDLZNFSNKQACHF-UHFFFAOYSA-N -2 0 347.396 2.499 20 0 EEADRL O=C([O-])[C@]12CCC[C@H]1CN(C(=O)c1ccc3[n-]c(=S)oc3c1)C2 ZINC000282034066 292805408 /nfs/dbraw/zinc/80/54/08/292805408.db2.gz ZKUQTRWZAPQGRG-QFYYESIMSA-N -2 0 332.381 2.443 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2CCO3)cs1 ZINC000358501829 465162153 /nfs/dbraw/zinc/16/21/53/465162153.db2.gz YOWFEELOLPQZHI-UHFFFAOYSA-N -2 0 325.367 2.182 20 0 EEADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000096744473 463298026 /nfs/dbraw/zinc/29/80/26/463298026.db2.gz MPBGSHAWUHRKCV-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H](CC(C)C)C(=O)[O-])n1 ZINC000185337642 463804854 /nfs/dbraw/zinc/80/48/54/463804854.db2.gz MCGVRZCYVDTAAS-LBPRGKRZSA-N -2 0 349.362 2.255 20 0 EEADRL O=C([O-])C1CCC([N-]S(=O)(=O)c2c(F)cc(F)cc2F)CC1 ZINC000261937559 463905251 /nfs/dbraw/zinc/90/52/51/463905251.db2.gz KROAJXCGKXXTEF-UHFFFAOYSA-N -2 0 337.319 2.026 20 0 EEADRL Cn1cnc(S(=O)(=O)[N-]c2cc3ccccc3cc2C(=O)[O-])c1 ZINC000225524435 464169292 /nfs/dbraw/zinc/16/92/92/464169292.db2.gz XQCMSTYCDJAVAG-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL CSC1(CNS(=O)(=O)c2ccc(C(=O)[O-])cc2F)CCC1 ZINC000227938171 464188649 /nfs/dbraw/zinc/18/86/49/464188649.db2.gz BZOYYWHWTNWPEU-UHFFFAOYSA-N -2 0 333.406 2.088 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2F)cs1 ZINC000362303750 465644160 /nfs/dbraw/zinc/64/41/60/465644160.db2.gz BASALZULFNCOGP-UHFFFAOYSA-N -2 0 345.329 2.084 20 0 EEADRL Cc1cc(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)ccc1C(=O)[O-] ZINC000357103244 465775460 /nfs/dbraw/zinc/77/54/60/465775460.db2.gz IYGZGBYHKQKEGD-UHFFFAOYSA-N -2 0 349.364 2.121 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)[nH]c32)ccc1C(=O)[O-] ZINC000357344644 465967134 /nfs/dbraw/zinc/96/71/34/465967134.db2.gz PJCXVAAUQIVHDT-UHFFFAOYSA-N -2 0 347.352 2.076 20 0 EEADRL Cc1cscc1CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000362926232 466126666 /nfs/dbraw/zinc/12/66/66/466126666.db2.gz XXRAORIDOLZHOD-UHFFFAOYSA-N -2 0 330.369 2.044 20 0 EEADRL COC(=O)C1(CS(=O)(=O)Nc2cccc(O)c2F)CCCCC1 ZINC000555624502 468487239 /nfs/dbraw/zinc/48/72/39/468487239.db2.gz JXLLGKOAEQFDEL-UHFFFAOYSA-N -2 0 345.392 2.397 20 0 EEADRL CO[C@H](C)c1nc(=NC(=O)c2c[n-]c3c(C)cccc3c2=O)s[n-]1 ZINC000338926719 466490624 /nfs/dbraw/zinc/49/06/24/466490624.db2.gz SZGFCKMUZBPWOT-SECBINFHSA-N -2 0 344.396 2.070 20 0 EEADRL COCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000315191350 466558659 /nfs/dbraw/zinc/55/86/59/466558659.db2.gz KNRCJGYEACMTKQ-UHFFFAOYSA-N -2 0 325.342 2.233 20 0 EEADRL CCn1cnc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000321463443 466622139 /nfs/dbraw/zinc/62/21/39/466622139.db2.gz SAKQFCBOBGJDQO-UHFFFAOYSA-N -2 0 337.401 2.066 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc2c(c1)OCO2 ZINC000323622968 466639631 /nfs/dbraw/zinc/63/96/31/466639631.db2.gz OBSWCNUZUVFPMJ-UHFFFAOYSA-N -2 0 335.337 2.223 20 0 EEADRL O=C([O-])C1(CN=c2nc(C3CCCCC3)[n-]s2)CCOCC1 ZINC000647457979 470906531 /nfs/dbraw/zinc/90/65/31/470906531.db2.gz LMBYUWBMZRPQHL-UHFFFAOYSA-N -2 0 325.434 2.301 20 0 EEADRL Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1O ZINC000674755112 485796317 /nfs/dbraw/zinc/79/63/17/485796317.db2.gz RHGLIAQJLMGVHN-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2O)cc(F)c1F ZINC000765100944 577494932 /nfs/dbraw/zinc/49/49/32/577494932.db2.gz OOTJSZZWCOPKCX-UHFFFAOYSA-N -2 0 347.270 2.309 20 0 EEADRL CCc1ccc([N-]S(=O)(=O)c2cn(C)c(Cl)n2)c(C(=O)[O-])c1 ZINC000769832678 577585531 /nfs/dbraw/zinc/58/55/31/577585531.db2.gz MGJXWEQKLGSRQM-UHFFFAOYSA-N -2 0 343.792 2.135 20 0 EEADRL COc1ccc(O)c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000759170089 577638349 /nfs/dbraw/zinc/63/83/49/577638349.db2.gz ZFAUNSWPKNKWDL-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL Cc1ccc(C)c(CC(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000738572834 578019789 /nfs/dbraw/zinc/01/97/89/578019789.db2.gz GMXWHDIFGWQNSE-UHFFFAOYSA-N -2 0 347.392 2.049 20 0 EEADRL CC(=O)c1[nH]c(CC(=O)[N-]OCc2ccccc2)c(C(=O)[O-])c1C ZINC000736177449 578185844 /nfs/dbraw/zinc/18/58/44/578185844.db2.gz LTNPADOMPSUPGO-UHFFFAOYSA-N -2 0 330.340 2.014 20 0 EEADRL CC(C)n1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000736540577 578210240 /nfs/dbraw/zinc/21/02/40/578210240.db2.gz JKFCTKAFPFRAKZ-UHFFFAOYSA-N -2 0 345.327 2.241 20 0 EEADRL C[C@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000736540534 578210273 /nfs/dbraw/zinc/21/02/73/578210273.db2.gz IZYLDUDQBGVLNQ-MRVPVSSYSA-N -2 0 341.414 2.415 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnn(Cc3ccccc3)c2)o1 ZINC000302885478 599738150 /nfs/dbraw/zinc/73/81/50/599738150.db2.gz TUAQUZJQVGNXSZ-UHFFFAOYSA-N -2 0 347.352 2.023 20 0 EEADRL CCCn1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])cn1 ZINC000829585329 600686744 /nfs/dbraw/zinc/68/67/44/600686744.db2.gz OYEYFSPNWGEESY-UHFFFAOYSA-N -2 0 343.792 2.446 20 0 EEADRL COCc1csc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)n1 ZINC000831827239 600983253 /nfs/dbraw/zinc/98/32/53/600983253.db2.gz SMBKSDGKKGGBHN-UHFFFAOYSA-N -2 0 342.398 2.097 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2ccc(OC(C)C)nc2)cc1C(=O)[O-] ZINC000833029327 601233336 /nfs/dbraw/zinc/23/33/36/601233336.db2.gz FNWZFDBWRORGCM-UHFFFAOYSA-N -2 0 340.357 2.269 20 0 EEADRL CC(C)[C@H](NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C(=O)[O-] ZINC000826717356 601388582 /nfs/dbraw/zinc/38/85/82/601388582.db2.gz QFFGKIUJFLSQDZ-LBPRGKRZSA-N -2 0 337.763 2.070 20 0 EEADRL CCCCc1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)s1 ZINC000829441216 601502414 /nfs/dbraw/zinc/50/24/14/601502414.db2.gz RFZHNNFTUUXLTO-UHFFFAOYSA-N -2 0 347.443 2.441 20 0 EEADRL CC(C)c1nnc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])s1 ZINC000827168439 601503360 /nfs/dbraw/zinc/50/33/60/601503360.db2.gz GCWUDZIIUIKQJK-UHFFFAOYSA-N -2 0 345.377 2.300 20 0 EEADRL CC(C)c1nnc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)s1 ZINC000827168800 601503470 /nfs/dbraw/zinc/50/34/70/601503470.db2.gz YCWQCGQHSNEIPK-UHFFFAOYSA-N -2 0 327.387 2.161 20 0 EEADRL Cn1cc([N-]S(=O)(=O)c2cnc3ccsc3c2)cc1C(=O)[O-] ZINC000833052575 601783796 /nfs/dbraw/zinc/78/37/96/601783796.db2.gz BBDMOMNZRYFVBX-UHFFFAOYSA-N -2 0 337.382 2.134 20 0 EEADRL Cc1ccc2cccc(S(=O)(=O)[N-]c3csnc3C(=O)[O-])c2n1 ZINC000832962246 602155916 /nfs/dbraw/zinc/15/59/16/602155916.db2.gz YWJRWCFTTQODAN-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL COc1ccc(O)c([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1 ZINC000832425218 602309943 /nfs/dbraw/zinc/30/99/43/602309943.db2.gz RIHMXPBDUDFMNK-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL C[C@@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000828221755 602383090 /nfs/dbraw/zinc/38/30/90/602383090.db2.gz XNAMOYGJFRDMQN-BDAKNGLRSA-N -2 0 331.415 2.078 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)nc1C ZINC000322426692 604509322 /nfs/dbraw/zinc/50/93/22/604509322.db2.gz NGVZRVQLKFNKFY-UHFFFAOYSA-N -2 0 337.401 2.029 20 0 EEADRL O=C([O-])c1cncc([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC000833339779 604708953 /nfs/dbraw/zinc/70/89/53/604708953.db2.gz NIDPEDJXEXCSNL-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1noc(C(C)C)n1 ZINC000833747802 605304205 /nfs/dbraw/zinc/30/42/05/605304205.db2.gz KAQDTYRMMJKYIT-UHFFFAOYSA-N -2 0 325.346 2.000 20 0 EEADRL O=C(N=c1nc(-c2ccccc2)[n-]s1)c1cc2c(cc1[O-])OCO2 ZINC000436716571 694489889 /nfs/dbraw/zinc/48/98/89/694489889.db2.gz TYIOMPVPDXCMRM-UHFFFAOYSA-N -2 0 341.348 2.314 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c([C@H](C)O)c1 ZINC000795386157 1212027970 /nfs/dbraw/zinc/02/79/70/1212027970.db2.gz DBHGATLYLMBAMO-ZETCQYMHSA-N -2 0 343.332 2.279 20 0 EEADRL CCn1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC001187554394 1279580067 /nfs/dbraw/zinc/58/00/67/1279580067.db2.gz LSZAVORCWRVRRQ-UHFFFAOYSA-N -2 0 329.765 2.055 20 0 EEADRL CC(C)(C)[C@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ncc[nH]2)cc1 ZINC001190730256 1281036540 /nfs/dbraw/zinc/03/65/40/1281036540.db2.gz AXRYHFNGCWGHSV-LBPRGKRZSA-N -2 0 337.401 2.425 20 0 EEADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cncc(C3CC3)c2)cc1 ZINC001192685476 1282103668 /nfs/dbraw/zinc/10/36/68/1282103668.db2.gz OPVMTLSSHIWXNY-UHFFFAOYSA-N -2 0 348.380 2.223 20 0 EEADRL COc1cc(Nc2nc[n-]c(=O)c2Br)cc(C(=O)[O-])c1 ZINC001213588624 1296100357 /nfs/dbraw/zinc/10/03/57/1296100357.db2.gz CMLQZUFMPIZEMS-UHFFFAOYSA-N -2 0 340.133 2.395 20 0 EEADRL O=C(c1cccc(-c2ccc(P(=O)([O-])[O-])cc2)c1)N1CCCC1 ZINC001240062720 1309233349 /nfs/dbraw/zinc/23/33/49/1309233349.db2.gz PNQHCRCWLSDBEC-UHFFFAOYSA-N -2 0 331.308 2.393 20 0 EEADRL COC(=O)c1nc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc(C2CC2)n1 ZINC001242160140 1309622413 /nfs/dbraw/zinc/62/24/13/1309622413.db2.gz DXMBOFAQCXHENQ-UHFFFAOYSA-N -2 0 342.307 2.204 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccn(-c3cccnc3)c(=O)c2)c1 ZINC001242163812 1309624917 /nfs/dbraw/zinc/62/49/17/1309624917.db2.gz MQSXICGUMLNDIP-UHFFFAOYSA-N -2 0 336.303 2.296 20 0 EEADRL Cc1cc(C(=O)[O-])cc(-c2cccc3c2NC(=O)[N-]S3(=O)=O)c1 ZINC001243178376 1309777077 /nfs/dbraw/zinc/77/70/77/1309777077.db2.gz PBKMHKUBLGSXLG-UHFFFAOYSA-N -2 0 332.337 2.184 20 0 EEADRL O=S(=O)([O-])c1cccc2cc([N-]S(=O)(=O)C(F)F)ccc21 ZINC001259958024 1319755058 /nfs/dbraw/zinc/75/50/58/1319755058.db2.gz PIIZZLTZOUCZNI-UHFFFAOYSA-N -2 0 337.325 2.051 20 0 EEADRL Cc1cc(-c2ccccc2F)nnc1NCCOP(=O)([O-])[O-] ZINC001157795442 1318866458 /nfs/dbraw/zinc/86/64/58/1318866458.db2.gz DANGSBHHZXVCAV-UHFFFAOYSA-N -2 0 327.252 2.112 20 0 EEADRL COC(=O)CS(=O)(=O)[N-]c1cc(Cl)c(Cl)c(Cl)c1[O-] ZINC001259027171 1319417077 /nfs/dbraw/zinc/41/70/77/1319417077.db2.gz PHNMKVHUZMBFQW-UHFFFAOYSA-N -2 0 348.591 2.267 20 0 EEADRL Cc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c(F)c1 ZINC001260210543 1319832513 /nfs/dbraw/zinc/83/25/13/1319832513.db2.gz ZEKBABBNTKLNIK-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](NC(=O)c2cc(Br)cc(F)c2[O-])C1 ZINC001608488930 1351703599 /nfs/dbraw/zinc/70/35/99/1351703599.db2.gz CSGFGOJNUPFKQN-SVRRBLITSA-N -2 0 346.152 2.277 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)C1(CC(C)C)CCC1 ZINC001608038867 1351611775 /nfs/dbraw/zinc/61/17/75/1351611775.db2.gz VTNDFQJORYUYJB-UHFFFAOYSA-N -2 0 343.401 2.308 20 0 EEADRL O=C([O-])[C@@H]1C[C@H]1c1ccc(N2C(=O)N[C@@H](CC(F)(F)F)C2=O)cc1 ZINC001608814517 1351769962 /nfs/dbraw/zinc/76/99/62/1351769962.db2.gz XCYCXCXPBOHPIX-AXFHLTTASA-N -2 0 342.273 2.252 20 0 EEADRL O=C([O-])c1ncc([N-]S(=O)(=O)c2cccc(F)c2)cc1Cl ZINC001608997614 1351811121 /nfs/dbraw/zinc/81/11/21/1351811121.db2.gz ICLDHYYMDLMJSC-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL CC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)ccc1F ZINC001609628711 1352045140 /nfs/dbraw/zinc/04/51/40/1352045140.db2.gz RNWMMVZWOIPTHG-UHFFFAOYSA-N -2 0 341.316 2.429 20 0 EEADRL CC[C@H]([N-]S(=O)(=O)CC1(C(=O)[O-])CCCCC1)C(F)(F)F ZINC001610055003 1352150856 /nfs/dbraw/zinc/15/08/56/1352150856.db2.gz LIECDQGRDZWOEF-VIFPVBQESA-N -2 0 331.356 2.282 20 0 EEADRL C[C@H]1CCN(Cc2cc(C(=O)[O-])co2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC001610397613 1352216491 /nfs/dbraw/zinc/21/64/91/1352216491.db2.gz LSKMYZWEIOJYEE-AUTRQRHGSA-N -2 0 348.321 2.255 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCCC[C@@H]1C ZINC001610581333 1352248890 /nfs/dbraw/zinc/24/88/90/1352248890.db2.gz JZCVDROXPFJHBM-ONGXEEELSA-N -2 0 343.401 2.308 20 0 EEADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC001610822758 1352280940 /nfs/dbraw/zinc/28/09/40/1352280940.db2.gz YFGWIZPFOMPSEE-UHFFFAOYSA-N -2 0 345.785 2.218 20 0 EEADRL CC(C)(C)[C@@H](NC(=O)c1ccc(Cl)c([O-])c1)c1nc(=O)o[n-]1 ZINC001434121632 1341769269 /nfs/dbraw/zinc/76/92/69/1341769269.db2.gz XTJZQILQJNHCLO-JTQLQIEISA-N -2 0 325.752 2.239 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn2c1CCCC2 ZINC001600364644 1350030619 /nfs/dbraw/zinc/03/06/19/1350030619.db2.gz RQMJXALPCQWRLA-UHFFFAOYSA-N -2 0 335.385 2.027 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])c(N(C)C)n1 ZINC001600464019 1350057998 /nfs/dbraw/zinc/05/79/98/1350057998.db2.gz MNUOVCWHBRKNOM-UHFFFAOYSA-N -2 0 349.412 2.263 20 0 EEADRL Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])nc3)cc2o1 ZINC001600727815 1350122552 /nfs/dbraw/zinc/12/25/52/1350122552.db2.gz XNZBYWHYEUFBHR-UHFFFAOYSA-N -2 0 333.325 2.030 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)c2cccc(Cl)c2)s1 ZINC001601562343 1350306907 /nfs/dbraw/zinc/30/69/07/1350306907.db2.gz HRPWKQWWHTVZJD-UHFFFAOYSA-N -2 0 345.785 2.218 20 0 EEADRL O=C([O-])C1(CS(=O)(=O)[N-][C@H](C(F)F)C2CCCCC2)CCC1 ZINC001601712966 1350345394 /nfs/dbraw/zinc/34/53/94/1350345394.db2.gz NXWZPGGWVQPWSN-NSHDSACASA-N -2 0 339.404 2.375 20 0 EEADRL O=C([O-])C1CC2(C1)CN(C(=O)c1cscc1Cl)C[C@@H]2C(=O)[O-] ZINC001601778878 1350362464 /nfs/dbraw/zinc/36/24/64/1350362464.db2.gz FEHBRKLQAQVSAC-RCIBXWMZSA-N -2 0 343.788 2.039 20 0 EEADRL O=C([O-])CCN(CC(=O)[O-])Cc1csc(Nc2ccccc2)n1 ZINC001602004401 1350415930 /nfs/dbraw/zinc/41/59/30/1350415930.db2.gz BNVIMAWYZYJGQH-UHFFFAOYSA-N -2 0 335.385 2.248 20 0 EEADRL O=C([O-])c1cc(F)cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1F ZINC001602271380 1350482444 /nfs/dbraw/zinc/48/24/44/1350482444.db2.gz UOXITVLDQKQARF-BDAKNGLRSA-N -2 0 327.283 2.493 20 0 EEADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1noc(C2CC2)n1 ZINC001602363217 1350504321 /nfs/dbraw/zinc/50/43/21/1350504321.db2.gz NBUZXIFBRTVOJF-UHFFFAOYSA-N -2 0 343.748 2.099 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c1 ZINC001602365909 1350504937 /nfs/dbraw/zinc/50/49/37/1350504937.db2.gz HZPRHCHDDXPKET-UHFFFAOYSA-N -3 0 339.300 2.023 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnn(C3CCC3)c2)cc1F ZINC001602385794 1350508367 /nfs/dbraw/zinc/50/83/67/1350508367.db2.gz XJGOTMRGALRXAB-UHFFFAOYSA-N -2 0 339.348 2.246 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)C2CCC(F)(F)CC2)c1 ZINC001602451932 1350522312 /nfs/dbraw/zinc/52/23/12/1350522312.db2.gz UNCVFHZAFVUHPX-UHFFFAOYSA-N -2 0 347.339 2.015 20 0 EEADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)C[C@H]1CCCCC1(C)C ZINC001603186638 1350658795 /nfs/dbraw/zinc/65/87/95/1350658795.db2.gz AOVQITZKQYTOBM-QJPTWQEYSA-N -2 0 333.450 2.148 20 0 EEADRL CC[C@@H]1CCCC[C@H]1OCC(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001604098776 1350856171 /nfs/dbraw/zinc/85/61/71/1350856171.db2.gz DWENDNMNEWDSDY-IUODEOHRSA-N -2 0 345.403 2.262 20 0 EEADRL C[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1ncc(C(=O)[O-])s1 ZINC001604307414 1350912583 /nfs/dbraw/zinc/91/25/83/1350912583.db2.gz HIBZOLBGXZETAW-SCSAIBSYSA-N -2 0 346.286 2.455 20 0 EEADRL C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cc(Br)cc(F)c1[O-] ZINC001604633606 1350974073 /nfs/dbraw/zinc/97/40/73/1350974073.db2.gz BNRQYSPRHZLWHS-SVRRBLITSA-N -2 0 346.152 2.229 20 0 EEADRL CO[C@@H](CS(=O)(=O)[N-]c1nc(C(=O)[O-])c(C(C)C)s1)C1CC1 ZINC001606682712 1351341429 /nfs/dbraw/zinc/34/14/29/1351341429.db2.gz IWJUVIVMLBXOCB-VIFPVBQESA-N -2 0 348.446 2.131 20 0 EEADRL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)co1 ZINC001607579803 1351519441 /nfs/dbraw/zinc/51/94/41/1351519441.db2.gz ICGGSIISZAKQEW-UHFFFAOYSA-N -2 0 343.744 2.058 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]C(=O)/C=C/C(C)(C)C ZINC001607598531 1351522002 /nfs/dbraw/zinc/52/20/02/1351522002.db2.gz BEWYRIRGDUJKGC-BQYQJAHWSA-N -2 0 325.386 2.100 20 0 EEADRL Cc1cc([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])nn1[C@@H](C)C1CC1 ZINC001607695799 1351541524 /nfs/dbraw/zinc/54/15/24/1351541524.db2.gz RFUVYHNOMZTXOE-JTQLQIEISA-N -2 0 329.422 2.015 20 0 EEADRL Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001607717528 1351545430 /nfs/dbraw/zinc/54/54/30/1351545430.db2.gz OOOOIELUVSGXNU-NEPJUHHUSA-N -2 0 344.371 2.315 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccn2)ccc1Cl ZINC001188272992 1368292934 /nfs/dbraw/zinc/29/29/34/1368292934.db2.gz UXHPYSWWULVTBX-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL CCCSc1nc(Cl)cc(NCCOP(=O)([O-])[O-])n1 ZINC001168586583 790528483 /nfs/dbraw/zinc/52/84/83/790528483.db2.gz LUXPSGRKINBTKX-UHFFFAOYSA-N -2 0 327.730 2.153 20 0 EEADRL O=P([O-])([O-])OCCNc1cc2c(nn1)-c1ccccc1CCC2 ZINC001168590465 790715045 /nfs/dbraw/zinc/71/50/45/790715045.db2.gz ZXPCRAMOUOWGGH-UHFFFAOYSA-N -2 0 335.300 2.154 20 0 EEADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CCC3(CCCC3)C2)c1 ZINC000906882684 784208335 /nfs/dbraw/zinc/20/83/35/784208335.db2.gz ZMXWYMKOKJGFBF-UHFFFAOYSA-N -2 0 325.386 2.045 20 0 EEADRL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl)C(F)(F)F ZINC000906988020 784303618 /nfs/dbraw/zinc/30/36/18/784303618.db2.gz VUPIKKRNZJSXQX-SCSAIBSYSA-N -2 0 349.689 2.406 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(C3CCC3)cc2)C1 ZINC000910181940 786514826 /nfs/dbraw/zinc/51/48/26/786514826.db2.gz FVZSLBYSOGDTNP-GJZGRUSLSA-N -2 0 331.368 2.344 20 0 EEADRL CCCc1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])sc1C ZINC000910186847 786519593 /nfs/dbraw/zinc/51/95/93/786519593.db2.gz VPHXMKFQFZFSSD-NEPJUHHUSA-N -2 0 339.413 2.399 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2ccsc2C(F)F)C1 ZINC000923102739 788815589 /nfs/dbraw/zinc/81/55/89/788815589.db2.gz ODBBTTCOXILNFA-HTRCEHHLSA-N -2 0 333.312 2.076 20 0 EEADRL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-] ZINC000055587029 789200064 /nfs/dbraw/zinc/20/00/64/789200064.db2.gz FTWQJPCCQVAMKK-UHFFFAOYSA-N -2 0 347.755 2.020 20 0 EEADRL CN1C(=O)Cc2ccc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)cc21 ZINC001176241947 798392346 /nfs/dbraw/zinc/39/23/46/798392346.db2.gz GHNRERDNTBERHC-UHFFFAOYSA-N -2 0 326.308 2.346 20 0 EEADRL CC(C)Cc1ccc([C@@H](C)C(=O)NCCOP(=O)([O-])[O-])cc1 ZINC001180906599 800599962 /nfs/dbraw/zinc/59/99/62/800599962.db2.gz UMPIAROJPNIYNT-GFCCVEGCSA-N -2 0 329.333 2.214 20 0 EEADRL CCCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)n[nH]1 ZINC000322212500 970860646 /nfs/dbraw/zinc/86/06/46/970860646.db2.gz QCGOIGCYHURYOV-UHFFFAOYSA-N -2 0 341.364 2.309 20 0 EEADRL O=C([O-])CNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000323831023 971042981 /nfs/dbraw/zinc/04/29/81/971042981.db2.gz HYRCNAIKHRQRQC-UHFFFAOYSA-N -2 0 348.742 2.112 20 0 EEADRL O=C([O-])Cn1cc(NC(=O)c2cc(Cl)cc(Cl)c2[O-])cn1 ZINC001595148053 952123994 /nfs/dbraw/zinc/12/39/94/952123994.db2.gz QNZVZXBNPUTBER-UHFFFAOYSA-N -2 0 330.127 2.232 20 0 EEADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000863960277 955925998 /nfs/dbraw/zinc/92/59/98/955925998.db2.gz ZEWHBLNRIKUWKY-AWEZNQCLSA-N -2 0 335.381 2.002 20 0 EEADRL C[C@@H](NC(=O)CC1(C(=O)[O-])CCCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589094453 955971126 /nfs/dbraw/zinc/97/11/26/955971126.db2.gz RYQBACLLLVYJBD-GRYCIOLGSA-N -2 0 325.405 2.273 20 0 EEADRL CC(C)c1nc(S(=O)(=O)Oc2cc(C(=O)[O-])ccc2F)c[nH]1 ZINC001603107062 972183019 /nfs/dbraw/zinc/18/30/19/972183019.db2.gz JXEPZVXXEGYTFG-UHFFFAOYSA-N -2 0 328.321 2.138 20 0 EEADRL CC1(C(=O)[O-])CCN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])CC1 ZINC001589196430 956612004 /nfs/dbraw/zinc/61/20/04/956612004.db2.gz IWNBYZZYMNLKSM-UHFFFAOYSA-N -2 0 347.346 2.044 20 0 EEADRL C[C@H](CN(C)C(=O)c1cc(Br)c(F)cc1[O-])C(=O)[O-] ZINC001603152085 972252225 /nfs/dbraw/zinc/25/22/25/972252225.db2.gz OKVFZVGYKXBEAR-ZCFIWIBFSA-N -2 0 334.141 2.087 20 0 EEADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)NCCCCCC(=O)[O-])n2)c1 ZINC001594366013 958489362 /nfs/dbraw/zinc/48/93/62/958489362.db2.gz GGCXOBTZSIZBDV-UHFFFAOYSA-N -2 0 349.362 2.400 20 0 EEADRL Cn1nc(C(C)(C)C)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260184208 960696517 /nfs/dbraw/zinc/69/65/17/960696517.db2.gz WZZYDUKPVVPPJX-UHFFFAOYSA-N -2 0 337.401 2.217 20 0 EEADRL O=C([O-])COc1cccc([N-]S(=O)(=O)c2ccccc2F)c1 ZINC000314781452 963809363 /nfs/dbraw/zinc/80/93/63/963809363.db2.gz TWULWRCMXHZTSO-UHFFFAOYSA-N -2 0 325.317 2.090 20 0 EEADRL CC(C)c1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cn1 ZINC000794616908 978814687 /nfs/dbraw/zinc/81/46/87/978814687.db2.gz QKEMJZMHVZRQQH-UHFFFAOYSA-N -2 0 339.348 2.238 20 0 EEADRL CC[C@@H](C)C[C@H](NC(=O)c1ncc(Br)cc1[O-])C(=O)[O-] ZINC001594949524 982649930 /nfs/dbraw/zinc/64/99/30/982649930.db2.gz CQPHRFACTYKMJI-APPZFPTMSA-N -2 0 345.193 2.169 20 0 EEADRL CCCc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC001596068410 983381401 /nfs/dbraw/zinc/38/14/01/983381401.db2.gz BVEFTMWUDXXUDM-UHFFFAOYSA-N -2 0 347.392 2.456 20 0 EEADRL Cc1[nH]c(C([O-])=CS(=O)(=O)CCCC(C)C)c(C)c1C(=O)[O-] ZINC001599947549 985555076 /nfs/dbraw/zinc/55/50/76/985555076.db2.gz LEVHUIBYAFTVPW-UHFFFAOYSA-N -2 0 329.418 2.363 20 0 EEADRL CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)nc1 ZINC001589291166 986036789 /nfs/dbraw/zinc/03/67/89/986036789.db2.gz VMIZHGQCCRDMKQ-UHFFFAOYSA-N -2 0 334.353 2.092 20 0 EEADRL CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001589315989 986109797 /nfs/dbraw/zinc/10/97/97/986109797.db2.gz JJGXXMWVFWAAJJ-UHFFFAOYSA-N -2 0 325.367 2.450 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2sc(C)cc2C(=O)[O-])cn1 ZINC001597138039 986878732 /nfs/dbraw/zinc/87/87/32/986878732.db2.gz YTEXDIVFEMERLB-UHFFFAOYSA-N -2 0 342.398 2.349 20 0 EEADRL CCc1[nH]nc([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])c1C ZINC001597399800 987658664 /nfs/dbraw/zinc/65/86/64/987658664.db2.gz NKLRIMMUBWOGPR-UHFFFAOYSA-N -2 0 329.403 2.149 20 0 EEADRL CCc1nc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)sc1C ZINC001597685348 988831819 /nfs/dbraw/zinc/83/18/19/988831819.db2.gz JSTSPXWPBXPTMY-UHFFFAOYSA-N -2 0 340.426 2.442 20 0 EEADRL CC(C)(C)[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001590435439 989996638 /nfs/dbraw/zinc/99/66/38/989996638.db2.gz GADAYELXYYMIEG-CHWSQXEVSA-N -2 0 339.413 2.013 20 0 EEADRL CC1=CC[C@@](C)(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)CC1 ZINC001594113648 998228582 /nfs/dbraw/zinc/22/85/82/998228582.db2.gz PACJPAWUGAHHDR-CQSZACIVSA-N -2 0 343.426 2.388 20 0 EEADRL C[C@H]1CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C[C@@H]1C(=O)[O-] ZINC001594406380 999521746 /nfs/dbraw/zinc/52/17/46/999521746.db2.gz WVHVNQFRCGKITM-HPEDKQMDSA-N -2 0 346.383 2.449 20 0 EEADRL CC(C)Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cn1 ZINC000269086819 255527106 /nfs/dbraw/zinc/52/71/06/255527106.db2.gz MQVWRMLCBOHWDD-UHFFFAOYSA-N -2 0 341.364 2.177 20 0 EEADRL COc1ccc(O)c(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c1 ZINC000342785060 295166726 /nfs/dbraw/zinc/16/67/26/295166726.db2.gz SSMOYKOAXBKZSR-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N([C@H](C)C(=O)[O-])C2CC2)n1 ZINC000263555833 301307602 /nfs/dbraw/zinc/30/76/02/301307602.db2.gz OEOZUNAEOMSJES-SNVBAGLBSA-N -2 0 347.346 2.103 20 0 EEADRL O=C(c1cc(F)cc(Cl)c1[O-])N1CCCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000333255380 312119615 /nfs/dbraw/zinc/11/96/15/312119615.db2.gz LEAMLHTZYYLICD-SNVBAGLBSA-N -2 0 340.742 2.376 20 0 EEADRL C[C@H]1CCN(C(=O)N=c2nc(-c3ccccc3)[n-]s2)C[C@@H]1C(=O)[O-] ZINC000567385755 319375742 /nfs/dbraw/zinc/37/57/42/319375742.db2.gz OUFJAGRHGKLKPH-JQWIXIFHSA-N -2 0 346.412 2.202 20 0 EEADRL COc1ccc(OC)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000336851851 465051123 /nfs/dbraw/zinc/05/11/23/465051123.db2.gz DKSOKHUWVGNEMO-UHFFFAOYSA-N -2 0 343.382 2.264 20 0 EEADRL Cc1ccc2c(c1)CCN2S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000358552834 465189111 /nfs/dbraw/zinc/18/91/11/465189111.db2.gz BZANZPDXRFMONN-UHFFFAOYSA-N -2 0 333.365 2.150 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2CO)sc1C(=O)[O-] ZINC000337802220 465592937 /nfs/dbraw/zinc/59/29/37/465592937.db2.gz ZSSQQWBDEAKILK-UHFFFAOYSA-N -2 0 345.373 2.187 20 0 EEADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC2CC2)c1 ZINC000076082352 462803462 /nfs/dbraw/zinc/80/34/62/462803462.db2.gz RWRXWGAVMYSIJP-UHFFFAOYSA-N -2 0 349.412 2.355 20 0 EEADRL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1c[nH]c2ncccc12 ZINC000072008175 463479723 /nfs/dbraw/zinc/47/97/23/463479723.db2.gz TWDFPHQULOCHHS-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cn1 ZINC000187746945 464159050 /nfs/dbraw/zinc/15/90/50/464159050.db2.gz ZNBHGUSWRMURAN-NSHDSACASA-N -2 0 349.412 2.282 20 0 EEADRL C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cn1 ZINC000187747999 464159072 /nfs/dbraw/zinc/15/90/72/464159072.db2.gz MLNHJTLOPPDICM-JTQLQIEISA-N -2 0 335.385 2.353 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cccc3c2OCO3)cc1C(=O)[O-] ZINC000337751244 465557911 /nfs/dbraw/zinc/55/79/11/465557911.db2.gz JERPSWATMHWXRT-UHFFFAOYSA-N -2 0 335.337 2.223 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cccc3c2OCCO3)c(C(=O)[O-])c1 ZINC000357514106 466094940 /nfs/dbraw/zinc/09/49/40/466094940.db2.gz DNYTUJSUOOYMJE-UHFFFAOYSA-N -2 0 349.364 2.265 20 0 EEADRL Cc1cnc(N)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000347310425 466553807 /nfs/dbraw/zinc/55/38/07/466553807.db2.gz OSTJMUGXLGSYBQ-UHFFFAOYSA-N -2 0 341.776 2.125 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccccc1C(=O)[O-] ZINC000350729552 466590215 /nfs/dbraw/zinc/59/02/15/466590215.db2.gz LHRUAVONGJTNAI-UHFFFAOYSA-N -2 0 335.337 2.192 20 0 EEADRL Cc1cc(Cl)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1O ZINC000408513020 466669786 /nfs/dbraw/zinc/66/97/86/466669786.db2.gz DQSPIEAEBWHBNY-UHFFFAOYSA-N -2 0 344.776 2.192 20 0 EEADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NCCC(C)(C)C(=O)[O-])n1 ZINC000424228680 467009523 /nfs/dbraw/zinc/00/95/23/467009523.db2.gz IOXGLSOMSZWXLZ-UHFFFAOYSA-N -2 0 349.362 2.256 20 0 EEADRL CC(C)c1ncsc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000451102664 467247379 /nfs/dbraw/zinc/24/73/79/467247379.db2.gz KNLLQORPBJDAQK-UHFFFAOYSA-N -2 0 329.403 2.104 20 0 EEADRL CCc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000436778425 467554117 /nfs/dbraw/zinc/55/41/17/467554117.db2.gz RSKZPRNWIMURKA-UHFFFAOYSA-N -2 0 340.357 2.058 20 0 EEADRL C[C@H]([C@@H](NS(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-])C1CC1 ZINC000548990285 468164513 /nfs/dbraw/zinc/16/45/13/468164513.db2.gz FRLLSJDWAYLHCZ-JVXZTZIISA-N -2 0 335.784 2.257 20 0 EEADRL COC(C)(C)c1nc(=NC(=O)c2cc(Cl)ccc2[O-])s[n-]1 ZINC000634154078 470225987 /nfs/dbraw/zinc/22/59/87/470225987.db2.gz YPHIJJYDPGYBBA-UHFFFAOYSA-N -2 0 327.793 2.453 20 0 EEADRL Cc1c(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])CCCC3)cnn1C ZINC000644618230 470997198 /nfs/dbraw/zinc/99/71/98/470997198.db2.gz IXYJHFFJJXFKPA-UHFFFAOYSA-N -2 0 349.412 2.106 20 0 EEADRL O=C([O-])COc1cccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1 ZINC000656857948 471867693 /nfs/dbraw/zinc/86/76/93/471867693.db2.gz NVPJHUXUAQZPHF-CQDKDKBSSA-N -2 0 347.367 2.008 20 0 EEADRL CC(C)C[C@H](CNC(=O)c1ccc(OCC(=O)[O-])cc1)CC(=O)[O-] ZINC000663139532 472370558 /nfs/dbraw/zinc/37/05/58/472370558.db2.gz JDXDZDQSLUEBJN-LBPRGKRZSA-N -2 0 337.372 2.017 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)cnn1C ZINC000759101123 577637090 /nfs/dbraw/zinc/63/70/90/577637090.db2.gz HCZXAHUFVFUEKE-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2)cc1F ZINC000754759376 577812243 /nfs/dbraw/zinc/81/22/43/577812243.db2.gz RXNJMVBGQOJPIG-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL Cc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)cc2)o1 ZINC000738933798 578031573 /nfs/dbraw/zinc/03/15/73/578031573.db2.gz JWIFTVDBFPUAKW-UHFFFAOYSA-N -2 0 349.324 2.137 20 0 EEADRL Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1ccccc1C(=O)[O-] ZINC000736745132 578221426 /nfs/dbraw/zinc/22/14/26/578221426.db2.gz AOLTXPZMOWBAAA-HNNXBMFYSA-N -2 0 337.335 2.362 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N(CC(=O)[O-])C(C)C)n1 ZINC000820485743 598076226 /nfs/dbraw/zinc/07/62/26/598076226.db2.gz KZEJAJKOOOKAEC-UHFFFAOYSA-N -2 0 331.372 2.076 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2n[nH]c3cccc(F)c32)cc1 ZINC000833324204 601201318 /nfs/dbraw/zinc/20/13/18/601201318.db2.gz NOXXWMGJSGTYSZ-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL O=C([O-])C1(NC(=O)CSc2n[n-]c(=S)s2)CCCCCC1 ZINC000833116239 601274328 /nfs/dbraw/zinc/27/43/28/601274328.db2.gz OJIHZQXZEGDQEM-UHFFFAOYSA-N -2 0 347.487 2.213 20 0 EEADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)n1 ZINC000832890145 601289067 /nfs/dbraw/zinc/28/90/67/601289067.db2.gz QFISKGVHYZROOL-QGZVFWFLSA-N -2 0 347.346 2.009 20 0 EEADRL CCOc1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)n1 ZINC000830104811 601362507 /nfs/dbraw/zinc/36/25/07/601362507.db2.gz UVAKVGZMOMZRCS-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL Cc1nc(C)c(S(=O)(=O)[N-]c2nc(CCC(=O)[O-])cs2)s1 ZINC000832995817 604625318 /nfs/dbraw/zinc/62/53/18/604625318.db2.gz KSFWSQCYHMHMQM-UHFFFAOYSA-N -2 0 347.443 2.034 20 0 EEADRL CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833508128 604687148 /nfs/dbraw/zinc/68/71/48/604687148.db2.gz WGHDBYFDXWBXBM-UHFFFAOYSA-N -2 0 336.369 2.368 20 0 EEADRL CCC(=O)c1cccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000828580709 604806514 /nfs/dbraw/zinc/80/65/14/604806514.db2.gz QHFPNFBFRGSVKZ-UHFFFAOYSA-N -2 0 340.382 2.235 20 0 EEADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000320382199 685445258 /nfs/dbraw/zinc/44/52/58/685445258.db2.gz LCGRWSCZPPQRIZ-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000322180285 691560022 /nfs/dbraw/zinc/56/00/22/691560022.db2.gz OVBJFFKIGSHHEE-UHFFFAOYSA-N -2 0 340.288 2.233 20 0 EEADRL O=C([O-])C[C@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000905189120 694555870 /nfs/dbraw/zinc/55/58/70/694555870.db2.gz QZTSSCXFFBQTLG-SECBINFHSA-N -2 0 333.793 2.064 20 0 EEADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)CCC2CCCCC2)cc1 ZINC000863963056 1197939073 /nfs/dbraw/zinc/93/90/73/1197939073.db2.gz HZCNXIKKGJFEOS-UHFFFAOYSA-N -2 0 339.413 2.415 20 0 EEADRL N#Cc1ccc(C(=O)Nc2nc(Br)ccc2[O-])cc1[O-] ZINC000191143593 1210109277 /nfs/dbraw/zinc/10/92/77/1210109277.db2.gz CKKLKNJIWBGCSI-UHFFFAOYSA-N -2 0 334.129 2.379 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ncc1O ZINC001185877733 1278845015 /nfs/dbraw/zinc/84/50/15/1278845015.db2.gz SNOISBFPDNTMFT-UHFFFAOYSA-N -2 0 342.760 2.248 20 0 EEADRL Cc1cn2cccc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)c2n1 ZINC001186143306 1278968556 /nfs/dbraw/zinc/96/85/56/1278968556.db2.gz NAOBUJQOVDBPDT-UHFFFAOYSA-N -2 0 349.343 2.281 20 0 EEADRL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)n1 ZINC001188277429 1279825416 /nfs/dbraw/zinc/82/54/16/1279825416.db2.gz XIYIEJVAGRQDLA-UHFFFAOYSA-N -2 0 342.760 2.248 20 0 EEADRL COC(=O)c1cn2ccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)cc2n1 ZINC001242162448 1309624020 /nfs/dbraw/zinc/62/40/20/1309624020.db2.gz UNKGICXSJLNVMK-UHFFFAOYSA-N -2 0 340.291 2.184 20 0 EEADRL Cc1cc(C(=O)N(C)C)ncc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242163763 1309625139 /nfs/dbraw/zinc/62/51/39/1309625139.db2.gz KCFBQOJLXWJDOO-UHFFFAOYSA-N -2 0 328.324 2.155 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccn(C3CCOCC3)c2=O)c1 ZINC001242164515 1309625376 /nfs/dbraw/zinc/62/53/76/1309625376.db2.gz MAXUAXJICQTWIS-UHFFFAOYSA-N -2 0 343.335 2.263 20 0 EEADRL COc1ccc(OC)c(-c2cc(=O)n(-c3ccc(C(=O)[O-])cn3)[n-]2)c1 ZINC001245951074 1310194588 /nfs/dbraw/zinc/19/45/88/1310194588.db2.gz KMNMOTCGTUEQPR-UHFFFAOYSA-N -2 0 341.323 2.355 20 0 EEADRL COc1ccc(F)cc1-c1cc(=O)n(-c2ccc(C(=O)[O-])cn2)[n-]1 ZINC001245952806 1310196257 /nfs/dbraw/zinc/19/62/57/1310196257.db2.gz FYBDQUIJTHUMID-UHFFFAOYSA-N -2 0 329.287 2.486 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)no2)cc1 ZINC001260221764 1319836714 /nfs/dbraw/zinc/83/67/14/1319836714.db2.gz RSXXCUNFODNSPH-UHFFFAOYSA-N -2 0 345.336 2.236 20 0 EEADRL O=S(=O)([O-])c1cccc([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC001256306919 1318707152 /nfs/dbraw/zinc/70/71/52/1318707152.db2.gz RJGAOAANALXNHI-UHFFFAOYSA-N -2 0 347.801 2.388 20 0 EEADRL COC(=O)c1cscc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260183629 1319818060 /nfs/dbraw/zinc/81/80/60/1319818060.db2.gz XPDZMBBRLGXDNR-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL CC(C)(C)c1nccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n1 ZINC001260184982 1319819346 /nfs/dbraw/zinc/81/93/46/1319819346.db2.gz LNXHLNMZDNMNRQ-UHFFFAOYSA-N -2 0 335.385 2.273 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)oc32)c(C(=O)[O-])c1 ZINC001607821851 1351565544 /nfs/dbraw/zinc/56/55/44/1351565544.db2.gz JPKRABQDPBSFJH-UHFFFAOYSA-N -2 0 348.336 2.341 20 0 EEADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cnoc2C2CC2)cc1F ZINC001608783527 1351762123 /nfs/dbraw/zinc/76/21/23/1351762123.db2.gz WUJCZKJEJNFLGM-UHFFFAOYSA-N -2 0 340.332 2.119 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)c1 ZINC001608991389 1351809719 /nfs/dbraw/zinc/80/97/19/1351809719.db2.gz SWGNCHBOYXYQMD-UHFFFAOYSA-N -2 0 347.295 2.423 20 0 EEADRL CC(C)[C@H](C(=O)[N-]S(=O)(=O)CCC(=O)[O-])c1cccc(Cl)c1 ZINC001609683738 1352058681 /nfs/dbraw/zinc/05/86/81/1352058681.db2.gz ZFHOPCJLZQYQMF-ZDUSSCGKSA-N -2 0 347.820 2.000 20 0 EEADRL CC(C)[C@@H](C(=O)[N-]S(=O)(=O)CCC(=O)[O-])c1cccc(Cl)c1 ZINC001609683737 1352059045 /nfs/dbraw/zinc/05/90/45/1352059045.db2.gz ZFHOPCJLZQYQMF-CYBMUJFWSA-N -2 0 347.820 2.000 20 0 EEADRL CCC(CC)CC(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001609917100 1352119185 /nfs/dbraw/zinc/11/91/85/1352119185.db2.gz PUSDOVHSWCPDBX-UHFFFAOYSA-N -2 0 349.355 2.294 20 0 EEADRL CCC[C@@H](C(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1)C(C)C ZINC001609949709 1352127705 /nfs/dbraw/zinc/12/77/05/1352127705.db2.gz FBGCHWJOBOFKPG-CYBMUJFWSA-N -2 0 342.417 2.230 20 0 EEADRL CCOCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC001610036746 1352146858 /nfs/dbraw/zinc/14/68/58/1352146858.db2.gz BYNPRZXIXYURDD-UHFFFAOYSA-N -2 0 336.369 2.117 20 0 EEADRL CCc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cn(C)c(Cl)n2)s1 ZINC001610059547 1352151968 /nfs/dbraw/zinc/15/19/68/1352151968.db2.gz YKLUGBVHZIBQOQ-UHFFFAOYSA-N -2 0 349.821 2.196 20 0 EEADRL Cc1c(Cl)cc(NC(=O)C(=O)[N-]OCCCC(=O)[O-])cc1Cl ZINC001610415824 1352219270 /nfs/dbraw/zinc/21/92/70/1352219270.db2.gz GQKYWHVRCYRBPZ-UHFFFAOYSA-N -2 0 349.170 2.153 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2noc(C(C)C)n2)ccc1C(=O)[O-] ZINC001610478155 1352229238 /nfs/dbraw/zinc/22/92/38/1352229238.db2.gz RIEUQFXHOCXFEA-UHFFFAOYSA-N -2 0 325.346 2.000 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2cccc(C3CC3)n2)cc1C(=O)[O-] ZINC001610563976 1352245570 /nfs/dbraw/zinc/24/55/70/1352245570.db2.gz VEKDOSOJIZWURN-UHFFFAOYSA-N -2 0 333.369 2.161 20 0 EEADRL Cn1cc([N-]S(=O)(=O)c2ccccc2-c2ccno2)cc1C(=O)[O-] ZINC001610605355 1352252718 /nfs/dbraw/zinc/25/27/18/1352252718.db2.gz AWAJPYRMADNQFR-UHFFFAOYSA-N -2 0 347.352 2.179 20 0 EEADRL O=C([O-])C1(c2ccc(S(=O)(=O)[N-]c3ccccc3O)cc2)CC1 ZINC001610730051 1352265870 /nfs/dbraw/zinc/26/58/70/1352265870.db2.gz RPSPNWZUVXEJAM-UHFFFAOYSA-N -2 0 333.365 2.309 20 0 EEADRL O=C([O-])CCOc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC001610775793 1352272581 /nfs/dbraw/zinc/27/25/81/1352272581.db2.gz QNUFUXQYAJBQPQ-ZIAGYGMSSA-N -2 0 333.340 2.146 20 0 EEADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]c2cc(C(F)(F)F)[nH]n2)c1 ZINC001610847297 1352284715 /nfs/dbraw/zinc/28/47/15/1352284715.db2.gz LANLYHJVSZJMHH-UHFFFAOYSA-N -2 0 349.290 2.069 20 0 EEADRL O=C([O-])/C(=C\c1ccc(C(=O)[O-])cc1Cl)CN1CCC(=O)CC1 ZINC001610883248 1352290359 /nfs/dbraw/zinc/29/03/59/1352290359.db2.gz XJNAICJTPXEGHT-GHXNOFRVSA-N -2 0 337.759 2.171 20 0 EEADRL Cc1c(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cccc1C(=O)[O-] ZINC001600037038 1349959347 /nfs/dbraw/zinc/95/93/47/1349959347.db2.gz JATXFUMCQJAOBY-QWHCGFSZSA-N -2 0 332.356 2.268 20 0 EEADRL Cc1ccc(OC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)cc1C(=O)[O-] ZINC001600467510 1350058777 /nfs/dbraw/zinc/05/87/77/1350058777.db2.gz XINXPQSRABQZKO-UHFFFAOYSA-N -2 0 333.262 2.056 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cnc2ccccc2n1 ZINC001600654650 1350108950 /nfs/dbraw/zinc/10/89/50/1350108950.db2.gz LPMJSCUATFIDRW-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL O=C([O-])C1CC2(C1)C[C@@H](NC(=O)c1cccc(F)c1[O-])CCS2 ZINC001601445626 1350285044 /nfs/dbraw/zinc/28/50/44/1350285044.db2.gz LDOWNMSOZDADCB-MAXPVNGDSA-N -2 0 339.388 2.390 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC001601793255 1350365184 /nfs/dbraw/zinc/36/51/84/1350365184.db2.gz YWAYUYYHKDEXQZ-CPCISQLKSA-N -2 0 344.726 2.261 20 0 EEADRL O=C([O-])/C=C\c1ccc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)cc1 ZINC001601884740 1350390295 /nfs/dbraw/zinc/39/02/95/1350390295.db2.gz LTVSEUXMLZAOJC-UTCJRWHESA-N -2 0 343.311 2.177 20 0 EEADRL O=C([O-])C[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccncc1 ZINC001601903807 1350393830 /nfs/dbraw/zinc/39/38/30/1350393830.db2.gz GPKRQMKLVMVZIH-JTQLQIEISA-N -2 0 340.257 2.150 20 0 EEADRL O=C([O-])C[C@H]1CSCCN1C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001601967469 1350406975 /nfs/dbraw/zinc/40/69/75/1350406975.db2.gz FCRHYAPBMDTDMW-QMMMGPOBSA-N -2 0 349.330 2.443 20 0 EEADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cc(C3CC3)[nH]n2)c1F ZINC001602274272 1350483663 /nfs/dbraw/zinc/48/36/63/1350483663.db2.gz NATSVAWUUJVGCE-UHFFFAOYSA-N -2 0 343.311 2.064 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])cs1 ZINC001602297483 1350487816 /nfs/dbraw/zinc/48/78/16/1350487816.db2.gz LWGIQORPDIAQDA-UHFFFAOYSA-N -3 0 333.368 2.007 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)C2(C3CCC3)CCC2)s1 ZINC001602396046 1350509968 /nfs/dbraw/zinc/50/99/68/1350509968.db2.gz MKABYNPKBDJBMB-UHFFFAOYSA-N -2 0 343.426 2.222 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2n[nH]c3ccccc32)cc1F ZINC001602402216 1350511080 /nfs/dbraw/zinc/51/10/80/1350511080.db2.gz OKBXXILZFLAQBD-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL O=C([O-])c1cccc(CSc2nc(=O)cc([O-])n2C2CCCC2)n1 ZINC001602441896 1350520578 /nfs/dbraw/zinc/52/05/78/1350520578.db2.gz YDKZWTJLESNGKZ-UHFFFAOYSA-N -2 0 347.396 2.450 20 0 EEADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC001602486441 1350530104 /nfs/dbraw/zinc/53/01/04/1350530104.db2.gz CQQHGLOMVUPKEI-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]c1ccc2c3c(cccc31)CC2 ZINC001602506827 1350534094 /nfs/dbraw/zinc/53/40/94/1350534094.db2.gz AWYOICFRFABSQI-UHFFFAOYSA-N -2 0 343.364 2.161 20 0 EEADRL O=C([O-])c1cnc([N-]S(=O)(=O)c2ccccc2F)c(Cl)c1 ZINC001602535421 1350540737 /nfs/dbraw/zinc/54/07/37/1350540737.db2.gz CRJQBVVTIBSVRX-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])c1nccc2c1cccc2S(=O)(=O)[N-]c1cncc(F)c1 ZINC001602575804 1350549929 /nfs/dbraw/zinc/54/99/29/1350549929.db2.gz JCLBHEMRKOMCPU-UHFFFAOYSA-N -2 0 347.327 2.268 20 0 EEADRL C[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1ccc(Cl)cc1 ZINC001603173224 1350655655 /nfs/dbraw/zinc/65/56/55/1350655655.db2.gz HBRPFQDVNYKWNK-SECBINFHSA-N -2 0 347.820 2.000 20 0 EEADRL CC(C)([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(F)F ZINC001603686587 1350742265 /nfs/dbraw/zinc/74/22/65/1350742265.db2.gz TUZHMPRMFGRROG-UHFFFAOYSA-N -2 0 345.726 2.499 20 0 EEADRL CC[C@H](C)[C@H]([N-]S(=O)(=O)CC1(C(=O)[O-])CCC1)C(F)(F)F ZINC001604946887 1351036788 /nfs/dbraw/zinc/03/67/88/1351036788.db2.gz PDWHEERVFYOHHN-IUCAKERBSA-N -2 0 331.356 2.138 20 0 EEADRL CC[C@H](C)c1cccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC001604977875 1351043450 /nfs/dbraw/zinc/04/34/50/1351043450.db2.gz UFOVJONLFCHABC-NSHDSACASA-N -2 0 337.401 2.282 20 0 EEADRL CC[C@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001605164140 1351092863 /nfs/dbraw/zinc/09/28/63/1351092863.db2.gz RXCOQACSMDANCB-GWCFXTLKSA-N -2 0 325.386 2.016 20 0 EEADRL CCCOc1cncc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC001605356163 1351144059 /nfs/dbraw/zinc/14/40/59/1351144059.db2.gz XXNBTJMQICPLMR-UHFFFAOYSA-N -2 0 340.357 2.271 20 0 EEADRL COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cc(C)[nH]c1C(=O)[O-] ZINC001607012348 1351396758 /nfs/dbraw/zinc/39/67/58/1351396758.db2.gz USXOCEJAIAGITB-UHFFFAOYSA-N -2 0 338.385 2.448 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cnn(C2CCC2)c1 ZINC001607598371 1351521909 /nfs/dbraw/zinc/52/19/09/1351521909.db2.gz XTNKJHHCKIJOPN-UHFFFAOYSA-N -2 0 335.385 2.416 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2cc(O)ccc2C(=O)[O-])c1F ZINC001607863392 1351574316 /nfs/dbraw/zinc/57/43/16/1351574316.db2.gz ZQIZNCJUWLLEDA-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL O=C([O-])[C@@H](CC(F)(F)F)NC(=O)c1cc(F)cc(Cl)c1[O-] ZINC001608391015 1351684834 /nfs/dbraw/zinc/68/48/34/1351684834.db2.gz GJTOUDISFHNZMG-SSDOTTSWSA-N -2 0 329.633 2.320 20 0 EEADRL O=C([O-])[C@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])c1ccsc1 ZINC001608390974 1351685006 /nfs/dbraw/zinc/68/50/06/1351685006.db2.gz FMIBSSBJDYURHH-CYBMUJFWSA-N -2 0 343.364 2.195 20 0 EEADRL Cc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c(C)n1 ZINC001187548265 1368250364 /nfs/dbraw/zinc/25/03/64/1368250364.db2.gz OENUYBXSWQEOED-UHFFFAOYSA-N -2 0 341.776 2.246 20 0 EEADRL O=C([O-])C[C@H]1CCCN(C(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC000840992022 1369906144 /nfs/dbraw/zinc/90/61/44/1369906144.db2.gz WYBIGZMDUDYIDS-LBPRGKRZSA-N -2 0 334.372 2.171 20 0 EEADRL O=P([O-])([O-])OCCNc1cc(Cl)nc(-c2ccccc2)n1 ZINC001168586110 790516047 /nfs/dbraw/zinc/51/60/47/790516047.db2.gz FISUJEVKNQXYON-UHFFFAOYSA-N -2 0 329.680 2.318 20 0 EEADRL O=P([O-])([O-])OCCNc1ccc(Br)c2[nH]ccc21 ZINC001168592525 790826009 /nfs/dbraw/zinc/82/60/09/790826009.db2.gz TYARXOCSXCOVPP-UHFFFAOYSA-N -2 0 335.094 2.452 20 0 EEADRL O=C([O-])C(F)(F)C[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000905999006 783630898 /nfs/dbraw/zinc/63/08/98/783630898.db2.gz GFNVHUWFRWCAAP-UHFFFAOYSA-N -2 0 348.154 2.133 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000910186587 786518665 /nfs/dbraw/zinc/51/86/65/786518665.db2.gz SABSFOKJOKETLC-ONGXEEELSA-N -2 0 345.273 2.095 20 0 EEADRL Cc1ccc(CCCCC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1 ZINC000910190269 786522292 /nfs/dbraw/zinc/52/22/92/786522292.db2.gz VSQOXJCHBHSQEP-HZPDHXFCSA-N -2 0 347.411 2.484 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccsc2C(F)F)C1 ZINC000923102744 788815600 /nfs/dbraw/zinc/81/56/00/788815600.db2.gz ODBBTTCOXILNFA-SVRRBLITSA-N -2 0 333.312 2.076 20 0 EEADRL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccc(F)nc3)c1)CCC2 ZINC000165783850 789568885 /nfs/dbraw/zinc/56/88/85/789568885.db2.gz SGHKIKPCBIOGIY-UHFFFAOYSA-N -2 0 336.344 2.208 20 0 EEADRL COC(=O)c1ccc(N)c(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176241592 798392482 /nfs/dbraw/zinc/39/24/82/798392482.db2.gz NAJZSAGVTNDLLQ-UHFFFAOYSA-N -2 0 330.296 2.195 20 0 EEADRL Cc1cc(N)cc2sc(=N)n(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c21 ZINC001176245194 798393058 /nfs/dbraw/zinc/39/30/58/798393058.db2.gz VSBDQKULNAUMEZ-UHFFFAOYSA-N -2 0 343.364 2.458 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cncc(C3CC3)c2)cc1C(=O)[O-] ZINC001185275069 802432635 /nfs/dbraw/zinc/43/26/35/802432635.db2.gz DFEZTZBJTQNKEI-UHFFFAOYSA-N -2 0 348.380 2.467 20 0 EEADRL Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(O)c1 ZINC000806633071 811951537 /nfs/dbraw/zinc/95/15/37/811951537.db2.gz AGLPXVFGRVPVTQ-UHFFFAOYSA-N -2 0 342.760 2.248 20 0 EEADRL CN(CCCC(=O)[O-])C(=O)c1cc(Br)c(F)cc1[O-] ZINC001593746244 954389355 /nfs/dbraw/zinc/38/93/55/954389355.db2.gz WETBCTRQYRVBLD-UHFFFAOYSA-N -2 0 334.141 2.231 20 0 EEADRL O=C([O-])[C@H](C(=O)[N-]OCc1ccc(F)cc1Br)C1CC1 ZINC001605901133 972732943 /nfs/dbraw/zinc/73/29/43/972732943.db2.gz LSSHMCDMDLJCCA-NSHDSACASA-N -2 0 346.152 2.247 20 0 EEADRL CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(Br)cc(F)c1[O-] ZINC001603492181 973433881 /nfs/dbraw/zinc/43/38/81/973433881.db2.gz HSNGZJASNLZVNM-VIFPVBQESA-N -2 0 334.141 2.229 20 0 EEADRL CCC(CC)C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001595104234 979418638 /nfs/dbraw/zinc/41/86/38/979418638.db2.gz WXEUKNAZBLCSOA-UHFFFAOYSA-N -2 0 333.793 2.279 20 0 EEADRL C[C@@H](Cc1ccc(NC(=O)C(=O)c2ccc(O)cc2)cc1)C(=O)[O-] ZINC001592857070 979660915 /nfs/dbraw/zinc/66/09/15/979660915.db2.gz BKBMMWYGAQOJTO-NSHDSACASA-N -2 0 327.336 2.477 20 0 EEADRL C[C@H](Cc1ccc(NC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1)C(=O)[O-] ZINC001592871091 979722463 /nfs/dbraw/zinc/72/24/63/979722463.db2.gz AWXLDXXIBFOYGS-SCDSUCTJSA-N -2 0 334.372 2.325 20 0 EEADRL CCC1CCC(NS(=O)(=O)c2ccccc2[O-])(C(=O)[O-])CC1 ZINC001595431235 981051970 /nfs/dbraw/zinc/05/19/70/981051970.db2.gz NMFGIFVVADYZEJ-UHFFFAOYSA-N -2 0 327.402 2.094 20 0 EEADRL CCC[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC001595536048 981380190 /nfs/dbraw/zinc/38/01/90/981380190.db2.gz NDZYVCQLYNKJCR-SKDRFNHKSA-N -2 0 347.820 2.143 20 0 EEADRL CCCc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])n2)cc1 ZINC001596068787 983382096 /nfs/dbraw/zinc/38/20/96/983382096.db2.gz KNFHEKQLUFCEOX-UHFFFAOYSA-N -2 0 334.397 2.462 20 0 EEADRL CCN(C(=O)c1cccc(Br)c1[O-])C(C)(C)C(=O)[O-] ZINC001596169623 983533598 /nfs/dbraw/zinc/53/35/98/983533598.db2.gz IIHWCVYASIJRJC-UHFFFAOYSA-N -2 0 330.178 2.480 20 0 EEADRL CCO[C@@H]1C[C@](NC(=O)c2ccc(Cl)c([O-])c2)(C(=O)[O-])C1(C)C ZINC001596829276 985454274 /nfs/dbraw/zinc/45/42/74/985454274.db2.gz YDUPOXRYFDLBFL-WBMJQRKESA-N -2 0 341.791 2.434 20 0 EEADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)CC=CCl ZINC001599947233 985549385 /nfs/dbraw/zinc/54/93/85/985549385.db2.gz BTTLYHQJIJBMKK-XRVBUDJMSA-N -2 0 333.793 2.068 20 0 EEADRL C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001599871222 989352634 /nfs/dbraw/zinc/35/26/34/989352634.db2.gz SJVHFOXOPNBMCE-ZEWFUEFWSA-N -2 0 331.368 2.032 20 0 EEADRL CC(C)(C)c1nc([N-]S(=O)(=O)CC2(F)CC2)sc1C(=O)[O-] ZINC001590545819 990185667 /nfs/dbraw/zinc/18/56/67/990185667.db2.gz QDAPEBCRVLPQMM-UHFFFAOYSA-N -2 0 336.410 2.383 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)[O-])cn1 ZINC001599617030 994028802 /nfs/dbraw/zinc/02/88/02/994028802.db2.gz YADOOYHMLFEZLQ-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL CC1(C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])CCCCCC1 ZINC001593754962 996401197 /nfs/dbraw/zinc/40/11/97/996401197.db2.gz HXTAZCJGOPZROG-UHFFFAOYSA-N -2 0 346.430 2.007 20 0 EEADRL CC1(C)CCc2sc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)nc21 ZINC001593924287 996845413 /nfs/dbraw/zinc/84/54/13/996845413.db2.gz BEGSKJOCIHSHSH-UHFFFAOYSA-N -2 0 341.414 2.194 20 0 EEADRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001599579423 998502658 /nfs/dbraw/zinc/50/26/58/998502658.db2.gz DCTULECOXVEYFJ-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL C[C@@H]1CCCC[C@H]1CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001594364272 999376401 /nfs/dbraw/zinc/37/64/01/999376401.db2.gz XFVVOHIGCNNFDT-ZJUUUORDSA-N -2 0 345.442 2.468 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2c(C)cccc2OC)cc1C(=O)[O-] ZINC000435736910 539951531 /nfs/dbraw/zinc/95/15/31/539951531.db2.gz CJSBEHDUOILJLF-UHFFFAOYSA-N -2 0 338.385 2.324 20 0 EEADRL CCC(CC)(CNS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F)OC ZINC000291817250 275343058 /nfs/dbraw/zinc/34/30/58/275343058.db2.gz CAOBZSDVITXFMC-UHFFFAOYSA-N -2 0 347.408 2.316 20 0 EEADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1O ZINC000436993809 315021726 /nfs/dbraw/zinc/02/17/26/315021726.db2.gz HOZGQHAYJAXYEF-UHFFFAOYSA-N -2 0 349.364 2.216 20 0 EEADRL CC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)c1c(C)noc1C ZINC000577748489 320273536 /nfs/dbraw/zinc/27/35/36/320273536.db2.gz AJSFLQWYJMBVNO-SNVBAGLBSA-N -2 0 328.346 2.012 20 0 EEADRL COc1cc(CN=c2nc(C(F)(F)F)[n-]s2)ccc1C(=O)[O-] ZINC000521442932 468314679 /nfs/dbraw/zinc/31/46/79/468314679.db2.gz XGQKANVCYKVOCQ-UHFFFAOYSA-N -2 0 333.291 2.298 20 0 EEADRL O=C([O-])CCCCC[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000037908931 463444219 /nfs/dbraw/zinc/44/42/19/463444219.db2.gz PJWVFJYKFGZJEE-UHFFFAOYSA-N -2 0 325.308 2.027 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC000057819665 463520700 /nfs/dbraw/zinc/52/07/00/463520700.db2.gz BQBSDFIJUWTQAC-UHFFFAOYSA-N -2 0 339.300 2.023 20 0 EEADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(C(C)C)n1 ZINC000281164624 464354677 /nfs/dbraw/zinc/35/46/77/464354677.db2.gz PKYRDGWMTYPBCI-UHFFFAOYSA-N -2 0 341.364 2.411 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)cc1C(=O)[O-] ZINC000351823272 465382862 /nfs/dbraw/zinc/38/28/62/465382862.db2.gz QSNWTFNKCNOIBT-UHFFFAOYSA-N -2 0 346.364 2.383 20 0 EEADRL COCc1ccccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000353677015 466060205 /nfs/dbraw/zinc/06/02/05/466060205.db2.gz KVQQDGRXJQPLRR-UHFFFAOYSA-N -2 0 340.339 2.143 20 0 EEADRL CC(C)c1nn(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000314223133 466547682 /nfs/dbraw/zinc/54/76/82/466547682.db2.gz PEBUPAXRRGHCNG-UHFFFAOYSA-N -2 0 329.403 2.104 20 0 EEADRL Cc1noc2ncc(S(=O)(=O)[N-]c3ccccc3C(=O)[O-])cc12 ZINC000350729616 466590124 /nfs/dbraw/zinc/59/01/24/466590124.db2.gz MENYJCLIRHJTJD-UHFFFAOYSA-N -2 0 333.325 2.030 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3=O)cc1C(=O)[O-] ZINC000451077432 467241111 /nfs/dbraw/zinc/24/11/11/467241111.db2.gz KCRYHFIGYTVBIE-UHFFFAOYSA-N -2 0 348.380 2.136 20 0 EEADRL CCc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000433491820 467336240 /nfs/dbraw/zinc/33/62/40/467336240.db2.gz QRHRTKHEGXMRNA-UHFFFAOYSA-N -2 0 325.342 2.355 20 0 EEADRL COC(=O)c1csc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000531600476 468063954 /nfs/dbraw/zinc/06/39/54/468063954.db2.gz LUIAIFNLGMIQPS-UHFFFAOYSA-N -2 0 347.395 2.095 20 0 EEADRL C[C@H]([C@@H](NS(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-])C1CC1 ZINC000548992970 468164561 /nfs/dbraw/zinc/16/45/61/468164561.db2.gz JVBCMZKZNZMVNP-JVXZTZIISA-N -2 0 335.784 2.257 20 0 EEADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc2n(n1)CCCC2 ZINC000556799461 468576168 /nfs/dbraw/zinc/57/61/68/468576168.db2.gz BSDBKACCBUEYPX-UHFFFAOYSA-N -2 0 341.414 2.088 20 0 EEADRL CC(C)c1nc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])cn1C ZINC000562967718 469117245 /nfs/dbraw/zinc/11/72/45/469117245.db2.gz MOCMYALJPIOQTN-UHFFFAOYSA-N -2 0 341.364 2.182 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2c(O)cccc2F)c(F)c1 ZINC000608342051 469804735 /nfs/dbraw/zinc/80/47/35/469804735.db2.gz DDWGGQOJQSSHFF-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cnn(CC3CC3)c2)cc(C(=O)[O-])c1C ZINC000675439151 485982414 /nfs/dbraw/zinc/98/24/14/485982414.db2.gz OUTYBQILZNOAMZ-UHFFFAOYSA-N -2 0 349.412 2.409 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2n[nH]c3ccccc32)c1 ZINC000740143803 576364099 /nfs/dbraw/zinc/36/40/99/576364099.db2.gz KDRAGOQZXCGGJH-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL Cc1cc(NS(=O)(=O)Cc2ccccc2C(=O)[O-])ccc1C(=O)[O-] ZINC000738462284 576450656 /nfs/dbraw/zinc/45/06/56/576450656.db2.gz KEOHUHFGAJEZQK-UHFFFAOYSA-N -2 0 349.364 2.333 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cnn(C)c1C1CC1 ZINC000769870804 577586187 /nfs/dbraw/zinc/58/61/87/577586187.db2.gz NEDUVKGXMPRNOV-UHFFFAOYSA-N -2 0 335.385 2.105 20 0 EEADRL O=C([O-])CCCS(=O)(=O)[N-][C@@H](c1ccccc1)C(F)(F)F ZINC000738585428 578020118 /nfs/dbraw/zinc/02/01/18/578020118.db2.gz UYNSUZNTRQIDFM-NSHDSACASA-N -2 0 325.308 2.074 20 0 EEADRL O=C(/C=C\C1CCCCC1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000739210310 578044069 /nfs/dbraw/zinc/04/40/69/578044069.db2.gz OWKJOOQAOFOBJB-VURMDHGXSA-N -2 0 343.426 2.388 20 0 EEADRL O=C([O-])CC[C@H](NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])c1ccccc1 ZINC000739659219 578062965 /nfs/dbraw/zinc/06/29/65/578062965.db2.gz LCBZUYVGBTTYEJ-ZNMIVQPWSA-N -2 0 331.368 2.376 20 0 EEADRL CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1C ZINC000736169793 578184237 /nfs/dbraw/zinc/18/42/37/578184237.db2.gz XEFONTYYBVTDES-UHFFFAOYSA-N -2 0 338.341 2.045 20 0 EEADRL C[C@@](CC(=O)NC1CCC(C(=O)[O-])CC1)(C(=O)[O-])c1ccccc1 ZINC000820071708 598133224 /nfs/dbraw/zinc/13/32/24/598133224.db2.gz FEHICTFFEVEEFH-WFZFXDGQSA-N -2 0 333.384 2.179 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC(F)(F)O3)o1 ZINC000320272494 599735826 /nfs/dbraw/zinc/73/58/26/599735826.db2.gz FFQRRRUCSYLABY-UHFFFAOYSA-N -2 0 347.251 2.100 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cc(CO)ccc2C)c1C(=O)[O-] ZINC000832934225 600684340 /nfs/dbraw/zinc/68/43/40/600684340.db2.gz MYLUXCZSYAYPAF-UHFFFAOYSA-N -2 0 339.369 2.196 20 0 EEADRL O=C([O-])[C@H]1CN(C(=O)c2nn(-c3ccccc3)cc2[O-])c2ccccc21 ZINC000833192630 600717449 /nfs/dbraw/zinc/71/74/49/600717449.db2.gz POMWQJJIVGNBGU-AWEZNQCLSA-N -2 0 349.346 2.407 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2cnc3ccccc3c2)cc1C(=O)[O-] ZINC000320647683 600809172 /nfs/dbraw/zinc/80/91/72/600809172.db2.gz JNSHUURTAXSDJI-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL O=C([O-])[C@H]1CC12CCN(C(=O)c1ccc3[n-]c(=S)oc3c1)CC2 ZINC000833176941 600953134 /nfs/dbraw/zinc/95/31/34/600953134.db2.gz ADCPPWWYCPDEOR-SNVBAGLBSA-N -2 0 332.381 2.443 20 0 EEADRL O=C([O-])c1cc(NC(=O)CSc2n[n-]c(=S)s2)ccc1F ZINC000833116345 601273548 /nfs/dbraw/zinc/27/35/48/601273548.db2.gz RKLBTRKJJJJCGY-UHFFFAOYSA-N -2 0 345.402 2.395 20 0 EEADRL CCOc1cccc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])n1 ZINC000830104272 601362382 /nfs/dbraw/zinc/36/23/82/601362382.db2.gz DLVAYUZWTNCZNA-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(C)C)on1 ZINC000832204122 601362804 /nfs/dbraw/zinc/36/28/04/601362804.db2.gz FLLLIFDKSOAQLU-UHFFFAOYSA-N -2 0 340.357 2.306 20 0 EEADRL CSc1ccccc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000832790148 601831722 /nfs/dbraw/zinc/83/17/22/601831722.db2.gz HNEYYTQFVLOZNW-UHFFFAOYSA-N -2 0 330.412 2.364 20 0 EEADRL COc1c(C)cc(S(=O)(=O)[N-]c2csnc2C(=O)[O-])cc1C ZINC000831846593 602155720 /nfs/dbraw/zinc/15/57/20/602155720.db2.gz AIQNLLINNSSQFC-UHFFFAOYSA-N -2 0 342.398 2.268 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2cc(F)ccc2O)c1C(=O)[O-] ZINC000832972482 602308756 /nfs/dbraw/zinc/30/87/56/602308756.db2.gz DBEDBTFJLJKXRC-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cc(C)ccc2Cl)c1C(=O)[O-] ZINC000832935613 602322096 /nfs/dbraw/zinc/32/20/96/602322096.db2.gz UTIJYCOCHIMQDL-UHFFFAOYSA-N -2 0 329.765 2.179 20 0 EEADRL CC1(C)CCC(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000828060093 604883212 /nfs/dbraw/zinc/88/32/12/604883212.db2.gz FFRNXNYEMORUCV-UHFFFAOYSA-N -2 0 339.413 2.406 20 0 EEADRL O=C([O-])c1cncc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000320397171 604889489 /nfs/dbraw/zinc/88/94/89/604889489.db2.gz BIJLRLUDZOQUCR-UHFFFAOYSA-N -2 0 332.381 2.459 20 0 EEADRL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1CCC(C(=O)[O-])CC1 ZINC000833549709 605119933 /nfs/dbraw/zinc/11/99/33/605119933.db2.gz RXAGIUDGJUVCSO-LMWSTFAQSA-N -2 0 339.413 2.085 20 0 EEADRL Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)C)c1C ZINC000863953751 1197936218 /nfs/dbraw/zinc/93/62/18/1197936218.db2.gz XMQWFGCIFIGDED-CYBMUJFWSA-N -2 0 341.429 2.082 20 0 EEADRL Cc1cc(O)cnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187545624 1279578843 /nfs/dbraw/zinc/57/88/43/1279578843.db2.gz SIYYXBGNAMULHZ-UHFFFAOYSA-N -2 0 342.760 2.248 20 0 EEADRL COc1ccncc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188276848 1279825273 /nfs/dbraw/zinc/82/52/73/1279825273.db2.gz NIIVNWUGICUIJU-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL CC(C)Cn1cnc(NC(=O)c2ccccc2OP(=O)([O-])[O-])c1 ZINC001189872580 1280531768 /nfs/dbraw/zinc/53/17/68/1280531768.db2.gz WDCYURKYTUNBLT-UHFFFAOYSA-N -2 0 339.288 2.263 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cnccc1N1CCCC1 ZINC001198746872 1285317619 /nfs/dbraw/zinc/31/76/19/1285317619.db2.gz OJELSFLYFJLNHW-UHFFFAOYSA-N -2 0 347.396 2.181 20 0 EEADRL O=C(c1ccsc1)[C@H](Oc1nc(=O)[n-]c(=O)[nH]1)c1ccsc1 ZINC001227569504 1301893532 /nfs/dbraw/zinc/89/35/32/1301893532.db2.gz CCDFNZDMKMXHNN-SNVBAGLBSA-N -2 0 335.366 2.409 20 0 EEADRL COC(=O)CSc1cccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242160270 1309622886 /nfs/dbraw/zinc/62/28/86/1309622886.db2.gz GXARHEFKGQEJCG-UHFFFAOYSA-N -2 0 347.348 2.410 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(C(=O)N3CCCC3)cn2)c1 ZINC001242160643 1309623009 /nfs/dbraw/zinc/62/30/09/1309623009.db2.gz NBURXCNASWERJQ-UHFFFAOYSA-N -2 0 340.335 2.381 20 0 EEADRL COC(=O)COc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001242162696 1309623666 /nfs/dbraw/zinc/62/36/66/1309623666.db2.gz JGYSSGDGQLFIOS-UHFFFAOYSA-N -2 0 330.292 2.302 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(C(=O)N3CCCC3)nc2)c1 ZINC001242162946 1309623753 /nfs/dbraw/zinc/62/37/53/1309623753.db2.gz MRYKFEPFZKGLNS-UHFFFAOYSA-N -2 0 340.335 2.381 20 0 EEADRL CC(C)(C)OC(=O)Cn1cc(-c2c(C(=O)[O-])cccc2C(=O)[O-])cn1 ZINC001242788218 1309718057 /nfs/dbraw/zinc/71/80/57/1309718057.db2.gz RWRMJQBYMLRTCA-UHFFFAOYSA-N -2 0 346.339 2.288 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1-c1cccc2c1NC(=O)[N-]S2(=O)=O ZINC001243205809 1309779096 /nfs/dbraw/zinc/77/90/96/1309779096.db2.gz MWZWSUSGCCWMHY-UHFFFAOYSA-N -2 0 332.337 2.184 20 0 EEADRL CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1 ZINC001604865316 1351022083 /nfs/dbraw/zinc/02/20/83/1351022083.db2.gz XCHNVDGSYGCNPP-UHFFFAOYSA-N -2 0 339.325 2.077 20 0 EEADRL O=C([O-])[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)CCC2CCCCC2)C1 ZINC001608622391 1351727784 /nfs/dbraw/zinc/72/77/84/1351727784.db2.gz WLEZGLLOGKIFMK-KBPBESRZSA-N -2 0 345.461 2.294 20 0 EEADRL O=C([O-])[C@H]1CSCCN1C(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001608650433 1351733595 /nfs/dbraw/zinc/73/35/95/1351733595.db2.gz MNVFTACBIUGJIK-SECBINFHSA-N -2 0 336.196 2.341 20 0 EEADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)CCC2CCCCC2)s1 ZINC001608875461 1351783931 /nfs/dbraw/zinc/78/39/31/1351783931.db2.gz RBUAEUHJAJCXKG-UHFFFAOYSA-N -2 0 345.442 2.476 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnc3ccccc3c2)nc1 ZINC001608905414 1351790996 /nfs/dbraw/zinc/79/09/96/1351790996.db2.gz YMLBXSCCQRTZGD-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)C=C([O-])c2ccc(F)c(F)c2)cc1 ZINC001608908564 1351791768 /nfs/dbraw/zinc/79/17/68/1351791768.db2.gz IFJWMLSDCYUJKI-UHFFFAOYSA-N -2 0 340.303 2.320 20 0 EEADRL CC(C)[C@H]([N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001609717419 1352067671 /nfs/dbraw/zinc/06/76/71/1352067671.db2.gz OOKWAKOXSPCXON-NSHDSACASA-N -2 0 339.335 2.391 20 0 EEADRL CC(C)c1ccc([N-]S(=O)(=O)c2cnc3n2CCC3)c(C(=O)[O-])c1 ZINC001609720288 1352068102 /nfs/dbraw/zinc/06/81/02/1352068102.db2.gz ZPPJGUIMNZUEQH-UHFFFAOYSA-N -2 0 349.412 2.452 20 0 EEADRL CSc1ccncc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001610388229 1352214899 /nfs/dbraw/zinc/21/48/99/1352214899.db2.gz FLRWUAWBWRZMKH-UHFFFAOYSA-N -2 0 338.410 2.231 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)N[C@@H](C)CCCCC(=O)[O-] ZINC001610409045 1352218404 /nfs/dbraw/zinc/21/84/04/1352218404.db2.gz VFXRMLGONQEHPY-JTQLQIEISA-N -2 0 343.401 2.005 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC001610486313 1352231253 /nfs/dbraw/zinc/23/12/53/1352231253.db2.gz FGDXQKYORUDPGF-UHFFFAOYSA-N -2 0 332.278 2.089 20 0 EEADRL O=C([O-])CCOc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC001610775792 1352272525 /nfs/dbraw/zinc/27/25/25/1352272525.db2.gz QNUFUXQYAJBQPQ-UONOGXRCSA-N -2 0 333.340 2.146 20 0 EEADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)CC2CCCCC2)c(F)c1 ZINC001610822592 1352280645 /nfs/dbraw/zinc/28/06/45/1352280645.db2.gz QLUGGSQMNSFXRO-UHFFFAOYSA-N -2 0 343.376 2.164 20 0 EEADRL Cc1cc(C(=O)[O-])oc1C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001600130419 1349976185 /nfs/dbraw/zinc/97/61/85/1349976185.db2.gz AUCZIITUZOKFMQ-OLZOCXBDSA-N -2 0 343.335 2.227 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)nc(C)n1 ZINC001600282597 1350010482 /nfs/dbraw/zinc/01/04/82/1350010482.db2.gz CMLGQKTUGFWDCS-UHFFFAOYSA-N -2 0 339.348 2.040 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001600360308 1350030162 /nfs/dbraw/zinc/03/01/62/1350030162.db2.gz BWFASGMXERKCBT-WCQYABFASA-N -2 0 341.385 2.078 20 0 EEADRL Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC001600391339 1350038536 /nfs/dbraw/zinc/03/85/36/1350038536.db2.gz ZXXWCJORMYZTQT-UHFFFAOYSA-N -2 0 347.392 2.049 20 0 EEADRL Cc1cccc(C[C@@H](CNC(=O)[C@H](C(=O)[O-])C(C)(C)C)C(=O)[O-])c1 ZINC001600528194 1350073953 /nfs/dbraw/zinc/07/39/53/1350073953.db2.gz XONRQFKWEJPXQH-UONOGXRCSA-N -2 0 335.400 2.101 20 0 EEADRL Cc1c(Cl)c(C(=O)[O-])sc1S(=O)(=O)[N-]c1nccc(C)n1 ZINC001600600267 1350094479 /nfs/dbraw/zinc/09/44/79/1350094479.db2.gz AHXXXSFJQDALRS-UHFFFAOYSA-N -2 0 347.805 2.307 20 0 EEADRL Cc1ccsc1-c1nsc(NC([O-])=NOCCCC(=O)[O-])n1 ZINC001600607444 1350096538 /nfs/dbraw/zinc/09/65/38/1350096538.db2.gz ILTHATMJUXOURF-UHFFFAOYSA-N -2 0 342.402 2.493 20 0 EEADRL Cc1nc2ccc(S(=O)(=O)[N-]c3cnccc3C(=O)[O-])cc2s1 ZINC001600728098 1350122626 /nfs/dbraw/zinc/12/26/26/1350122626.db2.gz JFVSKABEQULFPA-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2ccc3ncsc3c2)cc1C(=O)[O-] ZINC001600747245 1350127193 /nfs/dbraw/zinc/12/71/93/1350127193.db2.gz RLVJDVAXCADGQP-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2cccc(Cl)c2O)cc1C(=O)[O-] ZINC001600747235 1350127258 /nfs/dbraw/zinc/12/72/58/1350127258.db2.gz RBNSOZYIWKHYPC-UHFFFAOYSA-N -2 0 342.760 2.248 20 0 EEADRL Cc1nn(C)cc1S(=O)(=O)[N-]c1c(C(=O)[O-])ccc2ccccc21 ZINC001600777691 1350134468 /nfs/dbraw/zinc/13/44/68/1350134468.db2.gz ORYAMCOHQOXNNT-UHFFFAOYSA-N -2 0 345.380 2.381 20 0 EEADRL O=C([O-])COc1ccc(C(=O)NC2(C(=O)[O-])CCCCCC2)cc1 ZINC001602082089 1350432550 /nfs/dbraw/zinc/43/25/50/1350432550.db2.gz YYOIFEHEIOKIRY-UHFFFAOYSA-N -2 0 335.356 2.057 20 0 EEADRL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2cnc3c(c2)CCCC3)c1 ZINC001602143664 1350449498 /nfs/dbraw/zinc/44/94/98/1350449498.db2.gz VBHZBHKXXWPSLU-UHFFFAOYSA-N -2 0 346.408 2.388 20 0 EEADRL O=C([O-])Cc1csc(NC(=O)c2ccc3oc(=S)[n-]c3c2)n1 ZINC001602153499 1350453022 /nfs/dbraw/zinc/45/30/22/1350453022.db2.gz VGCIXKALSDLSBH-UHFFFAOYSA-N -2 0 335.366 2.452 20 0 EEADRL O=C([O-])Cc1csc(NC(=O)c2ncc3ccccc3c2[O-])n1 ZINC001602154004 1350453260 /nfs/dbraw/zinc/45/32/60/1350453260.db2.gz DRCMPYOREGTOGD-UHFFFAOYSA-N -2 0 329.337 2.276 20 0 EEADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c1F ZINC001602273116 1350483153 /nfs/dbraw/zinc/48/31/53/1350483153.db2.gz IAYMPXHJHDBCMU-VIFPVBQESA-N -2 0 341.282 2.129 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnn2C2CCC2)cs1 ZINC001602297523 1350487500 /nfs/dbraw/zinc/48/75/00/1350487500.db2.gz PPDKTUPQNWLTEV-UHFFFAOYSA-N -2 0 327.387 2.169 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nccn2-c2ccccc2)s1 ZINC001602402778 1350511011 /nfs/dbraw/zinc/51/10/11/1350511011.db2.gz UOQUHLSSZLKDEO-UHFFFAOYSA-N -2 0 349.393 2.433 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2ccc([C@@H]3CCOC3)cc2)c1 ZINC001602557729 1350546139 /nfs/dbraw/zinc/54/61/39/1350546139.db2.gz CATJSJRHPCEHPK-LLVKDONJSA-N -2 0 337.353 2.283 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])c1 ZINC001602559552 1350546597 /nfs/dbraw/zinc/54/65/97/1350546597.db2.gz QSKHBFJKDMOFDN-UHFFFAOYSA-N -3 0 345.716 2.130 20 0 EEADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cc2sccc2s1 ZINC001603186896 1350658914 /nfs/dbraw/zinc/65/89/14/1350658914.db2.gz CVFZWXNIOPXPJB-RQJHMYQMSA-N -2 0 347.439 2.132 20 0 EEADRL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC001603253762 1350673229 /nfs/dbraw/zinc/67/32/29/1350673229.db2.gz XRQGENAGHGGEAL-CQSZACIVSA-N -2 0 348.399 2.417 20 0 EEADRL C[C@@]1([N-]C(=O)C(F)(F)F)CC[N@H+](Cc2ccc(/C=C\C(=O)[O-])o2)C1 ZINC001604589462 1350965802 /nfs/dbraw/zinc/96/58/02/1350965802.db2.gz PKOLDTSKNDLVQF-ZRUQZJFASA-N -2 0 346.305 2.020 20 0 EEADRL CC[C@@H](C)[C@@H]([N-]S(=O)(=O)CC1(C(=O)[O-])CCC1)C(F)(F)F ZINC001604946890 1351036695 /nfs/dbraw/zinc/03/66/95/1351036695.db2.gz PDWHEERVFYOHHN-RKDXNWHRSA-N -2 0 331.356 2.138 20 0 EEADRL Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1cc(C(=O)[O-])co1 ZINC001607718193 1351545997 /nfs/dbraw/zinc/54/59/97/1351545997.db2.gz ZTKNQBSACSMOOE-UHFFFAOYSA-N -2 0 328.284 2.029 20 0 EEADRL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001607862908 1351573707 /nfs/dbraw/zinc/57/37/07/1351573707.db2.gz FMOYNLPWFQCQHU-UHFFFAOYSA-N -2 0 345.327 2.463 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)CCC2CCC2)cc1Cl ZINC001608300875 1351666734 /nfs/dbraw/zinc/66/67/34/1351666734.db2.gz YZNSHBKLMLIVPN-UHFFFAOYSA-N -2 0 345.804 2.423 20 0 EEADRL Cc1cc(O)cc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1 ZINC001634960720 1352637254 /nfs/dbraw/zinc/63/72/54/1352637254.db2.gz RKMQHDOCINZZMC-UHFFFAOYSA-N -2 0 326.312 2.011 20 0 EEADRL COC(=O)c1ccc(C)cc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198780009 1368645825 /nfs/dbraw/zinc/64/58/25/1368645825.db2.gz XEMYYNQJLAKJON-UHFFFAOYSA-N -2 0 349.364 2.281 20 0 EEADRL Cc1cc(Nc2ccc(C(=O)NCC(=O)[O-])cc2)ccc1C(=O)[O-] ZINC001211663467 769867070 /nfs/dbraw/zinc/86/70/70/769867070.db2.gz KYESQQWXBIFLPU-UHFFFAOYSA-N -2 0 328.324 2.251 20 0 EEADRL CCOc1cc(C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)cc(Cl)c1O ZINC000909799959 786236418 /nfs/dbraw/zinc/23/64/18/786236418.db2.gz QGCGQBFHRUNRPI-PSASIEDQSA-N -2 0 327.764 2.380 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000910181760 786514494 /nfs/dbraw/zinc/51/44/94/786514494.db2.gz FEFYIAFYAZBKRI-KLHDSHLOSA-N -2 0 345.395 2.347 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)Cc2cccc3ccccc32)C1 ZINC000910186280 786518788 /nfs/dbraw/zinc/51/87/88/786518788.db2.gz PNYJTBSPEBCCKV-HOCLYGCPSA-N -2 0 341.363 2.159 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cc3c(s2)CCCC3)C1 ZINC000910186265 786518847 /nfs/dbraw/zinc/51/88/47/786518847.db2.gz PFTXGEZMNANPGM-MNOVXSKESA-N -2 0 337.397 2.017 20 0 EEADRL CCCc1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])sc1C ZINC000910186852 786519455 /nfs/dbraw/zinc/51/94/55/786519455.db2.gz VPHXMKFQFZFSSD-VXGBXAGGSA-N -2 0 339.413 2.399 20 0 EEADRL O=C(NCCOP(=O)([O-])[O-])c1ccc(Cl)cc1C(F)(F)F ZINC001148958269 792808222 /nfs/dbraw/zinc/80/82/22/792808222.db2.gz GFAGUUHOJKZVNQ-UHFFFAOYSA-N -2 0 347.613 2.198 20 0 EEADRL Cc1cc(O)cc(C)c1NC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148926848 792814033 /nfs/dbraw/zinc/81/40/33/792814033.db2.gz XWCUMGNAQNGWDJ-UHFFFAOYSA-N -2 0 337.353 2.214 20 0 EEADRL Nc1cnc(N(c2cc(C(=O)[O-])cc(C(=O)[O-])c2)C2CCC2)nc1 ZINC001176238056 798390465 /nfs/dbraw/zinc/39/04/65/798390465.db2.gz MEXRUXKFKXZTIR-UHFFFAOYSA-N -2 0 328.328 2.146 20 0 EEADRL C[C@@H]([N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-])c1cc(F)cc(F)c1 ZINC001180177011 800286901 /nfs/dbraw/zinc/28/69/01/800286901.db2.gz WNUQKKZJVOPVKO-RXMQYKEDSA-N -2 0 329.196 2.497 20 0 EEADRL O=C(Cc1csc2ccc(Cl)cc12)NCCOP(=O)([O-])[O-] ZINC001181425496 800779789 /nfs/dbraw/zinc/77/97/89/800779789.db2.gz IHZLCOKSDRALMX-UHFFFAOYSA-N -2 0 349.732 2.323 20 0 EEADRL O=C([O-])COc1ccc(OCC(=O)Nc2ccccc2[S-])cc1 ZINC001183908463 801803203 /nfs/dbraw/zinc/80/32/03/801803203.db2.gz VYIVXMGBMUDGHN-UHFFFAOYSA-N -2 0 333.365 2.456 20 0 EEADRL Cc1onc(OC(F)F)c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000788131912 807385915 /nfs/dbraw/zinc/38/59/15/807385915.db2.gz OCEWJTNSOCEPJG-UHFFFAOYSA-N -2 0 348.283 2.083 20 0 EEADRL O=C(c1cccc(Cl)c1[O-])N1CCc2ccc(-c3nn[nH]n3)cc21 ZINC000826474041 948373630 /nfs/dbraw/zinc/37/36/30/948373630.db2.gz YKACADLIDFPMNY-UHFFFAOYSA-N -2 0 341.758 2.429 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2F)nc1 ZINC001595238574 949431341 /nfs/dbraw/zinc/43/13/41/949431341.db2.gz WCQOWRKECFHGFP-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])[C@@H](NS(=O)(=O)c1cccc(Cl)c1[O-])c1ccccc1 ZINC001595161186 952197031 /nfs/dbraw/zinc/19/70/31/952197031.db2.gz DGICUQSRWOWLPH-LBPRGKRZSA-N -2 0 341.772 2.150 20 0 EEADRL O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)c1cccc(Cl)c1[O-])O2 ZINC001594748932 953405428 /nfs/dbraw/zinc/40/54/28/953405428.db2.gz DIETVLZPPCGQES-MAXPVNGDSA-N -2 0 339.775 2.188 20 0 EEADRL C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])C1 ZINC000874966424 956228942 /nfs/dbraw/zinc/22/89/42/956228942.db2.gz WLNSGWVSLCHNTD-SFHVURJKSA-N -2 0 343.335 2.402 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2c(C)csc2C(=O)[O-])nc1C ZINC000128323403 958657254 /nfs/dbraw/zinc/65/72/54/958657254.db2.gz GCQTUTXYASVUHX-UHFFFAOYSA-N -2 0 329.403 2.080 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)s1 ZINC000235941734 960533923 /nfs/dbraw/zinc/53/39/23/960533923.db2.gz STJGVJCQRMLOJM-UHFFFAOYSA-N -2 0 326.399 2.270 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c2cccnc12 ZINC000319626401 970554595 /nfs/dbraw/zinc/55/45/95/970554595.db2.gz OXUZBYOVUDEQEE-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL O=C([O-])[C@@H]1CCCN(C(=O)c2cc(Br)cc(F)c2[O-])C1 ZINC001606376337 973827509 /nfs/dbraw/zinc/82/75/09/973827509.db2.gz HYSRNNMDIHJSJU-SSDOTTSWSA-N -2 0 346.152 2.231 20 0 EEADRL C[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001592465671 978207689 /nfs/dbraw/zinc/20/76/89/978207689.db2.gz IWGNMNZLWKJTCO-NSHDSACASA-N -2 0 333.450 2.150 20 0 EEADRL O=C([O-])c1ccc(NC(=O)CSc2n[n-]c(=S)s2)cc1 ZINC000833115878 979086730 /nfs/dbraw/zinc/08/67/30/979086730.db2.gz GNTUXNDGTRGNKQ-UHFFFAOYSA-N -2 0 327.412 2.256 20 0 EEADRL Cc1cc(NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)ccc1C(=O)[O-] ZINC000836717919 979248469 /nfs/dbraw/zinc/24/84/69/979248469.db2.gz OWOAKMXKXGVLJN-NSHDSACASA-N -2 0 346.305 2.335 20 0 EEADRL O=C([O-])[C@@H]1CCN(C(=O)c2n[n-]c3ccccc3c2=O)[C@@H]2CCC[C@@H]21 ZINC000864175538 979815670 /nfs/dbraw/zinc/81/56/70/979815670.db2.gz LKLPBUFDAPPUGY-JTNHKYCSSA-N -2 0 341.367 2.051 20 0 EEADRL C[C@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1ncc(C(=O)[O-])s1 ZINC001593014459 980255306 /nfs/dbraw/zinc/25/53/06/980255306.db2.gz KZKQBBGFGWVWMH-QMMMGPOBSA-N -2 0 326.374 2.054 20 0 EEADRL CCN(CCC(=O)[O-])C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC001596308858 983737546 /nfs/dbraw/zinc/73/75/46/983737546.db2.gz MIFRLMLOPXUDKD-UHFFFAOYSA-N -2 0 331.324 2.402 20 0 EEADRL CC(C)[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])CC1 ZINC001589450680 986840619 /nfs/dbraw/zinc/84/06/19/986840619.db2.gz FDLAZQGCZLEEQI-FDYHWXHSSA-N -2 0 333.450 2.004 20 0 EEADRL CCc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC001597562378 988306435 /nfs/dbraw/zinc/30/64/35/988306435.db2.gz XJOBDLHOMFETEK-UHFFFAOYSA-N -2 0 339.394 2.127 20 0 EEADRL CCc1nc([N-]S(=O)(=O)c2ccc(F)cc2)sc1C(=O)[O-] ZINC001597685100 988826256 /nfs/dbraw/zinc/82/62/56/988826256.db2.gz BHOUQIALXOJKKU-UHFFFAOYSA-N -2 0 330.362 2.344 20 0 EEADRL C[C@@H]1CN(C(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])C[C@H]1C(=O)[O-] ZINC001599864609 989224131 /nfs/dbraw/zinc/22/41/31/989224131.db2.gz YDCLIFSGSJZWJJ-BXKDBHETSA-N -2 0 349.774 2.024 20 0 EEADRL CN(C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598104143 990480951 /nfs/dbraw/zinc/48/09/51/990480951.db2.gz GZBRIFWUKIIPJA-WVSHTKLVSA-N -2 0 349.774 2.167 20 0 EEADRL CC1(CC(=O)N2C[C@@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)CCCCC1 ZINC001593996356 997305597 /nfs/dbraw/zinc/30/55/97/997305597.db2.gz RIFVEPZJWZUXKK-XYEKJYRLSA-N -2 0 337.416 2.371 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3O)cc1 ZINC000368653652 304250460 /nfs/dbraw/zinc/25/04/60/304250460.db2.gz RXIGNNOSDAUDLL-AWEZNQCLSA-N -2 0 349.364 2.002 20 0 EEADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnoc1C1CC1 ZINC000414390783 313010379 /nfs/dbraw/zinc/01/03/79/313010379.db2.gz YUBSGKFGVQOVJD-UHFFFAOYSA-N -2 0 340.332 2.499 20 0 EEADRL COc1ccsc1S(=O)(=O)N[C@@H]1CCCC[C@]1(C)C(=O)[O-] ZINC000547574355 318300465 /nfs/dbraw/zinc/30/04/65/318300465.db2.gz OEZJCBPAQGIODC-MFKMUULPSA-N -2 0 333.431 2.069 20 0 EEADRL CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1O ZINC000576422288 320170887 /nfs/dbraw/zinc/17/08/87/320170887.db2.gz XUJJRHDPVMLCEG-UHFFFAOYSA-N -2 0 349.364 2.402 20 0 EEADRL CCC[C@@H](NC(=O)c1cc(Cl)c(O)c(OCC)c1)c1nnn[n-]1 ZINC000186854504 464073665 /nfs/dbraw/zinc/07/36/65/464073665.db2.gz LBPDWNXSENAUHS-SNVBAGLBSA-N -2 0 339.783 2.229 20 0 EEADRL COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)C1CC1 ZINC000554675260 468436562 /nfs/dbraw/zinc/43/65/62/468436562.db2.gz XOEMZZTWYPVMGW-SDBXPKJASA-N -2 0 347.820 2.126 20 0 EEADRL Cc1ccc(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)cc1C(=O)[O-] ZINC000357127732 465793937 /nfs/dbraw/zinc/79/39/37/465793937.db2.gz JUXVTLWDAKZKME-UHFFFAOYSA-N -2 0 349.364 2.121 20 0 EEADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000357534655 466110000 /nfs/dbraw/zinc/11/00/00/466110000.db2.gz DMQWMXDWFIVBRW-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL CN(CCC(=O)[O-])C(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000647221678 470861796 /nfs/dbraw/zinc/86/17/96/470861796.db2.gz PFRZUOHXSVQZRY-UHFFFAOYSA-N -2 0 336.569 2.355 20 0 EEADRL CC(C)c1nc(S(=O)(=O)[N-]c2cc(F)ccc2C(=O)[O-])cn1C ZINC000654767477 471168622 /nfs/dbraw/zinc/16/86/22/471168622.db2.gz RITJCTYSNYWMHL-UHFFFAOYSA-N -2 0 341.364 2.182 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N(CC)[C@@H](C)C(=O)[O-])n1 ZINC000659769269 471736320 /nfs/dbraw/zinc/73/63/20/471736320.db2.gz CCQWYVXKSHCQGM-NSHDSACASA-N -2 0 331.372 2.076 20 0 EEADRL CCc1nc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cn1CC1CC1 ZINC000663250644 472422356 /nfs/dbraw/zinc/42/23/56/472422356.db2.gz BSCRXFDNQOUSKW-UHFFFAOYSA-N -2 0 349.412 2.355 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2O)ccc1F ZINC000759165680 577638359 /nfs/dbraw/zinc/63/83/59/577638359.db2.gz RREIMSYLXDBGKZ-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2O)cc(F)c1F ZINC000751201797 577749238 /nfs/dbraw/zinc/74/92/38/577749238.db2.gz DBFZJQLUXPPARC-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1C(=O)[O-] ZINC000738828580 578028068 /nfs/dbraw/zinc/02/80/68/578028068.db2.gz GPIXSIHICQBVME-UHFFFAOYSA-N -2 0 339.373 2.004 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)o1 ZINC000324258976 599737263 /nfs/dbraw/zinc/73/72/63/599737263.db2.gz CWRUNRUWOACYAH-UHFFFAOYSA-N -2 0 347.352 2.023 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)c(C)c1 ZINC000020432066 600050926 /nfs/dbraw/zinc/05/09/26/600050926.db2.gz JYENANFBBUTVSP-UHFFFAOYSA-N -2 0 326.399 2.188 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(C(=O)[O-])[nH]1 ZINC000322679284 600176606 /nfs/dbraw/zinc/17/66/06/600176606.db2.gz LYAHEBSNCIBLKZ-UHFFFAOYSA-N -2 0 339.329 2.039 20 0 EEADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n[nH]1 ZINC000391385867 600576435 /nfs/dbraw/zinc/57/64/35/600576435.db2.gz ZAQYGYQMFDZQGG-UHFFFAOYSA-N -2 0 341.364 2.345 20 0 EEADRL Cc1cc(F)cc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000832887599 600941176 /nfs/dbraw/zinc/94/11/76/600941176.db2.gz OSVPJXSACYEXGH-UHFFFAOYSA-N -2 0 343.357 2.013 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2cc(C(C)(C)C)no2)cc1C(=O)[O-] ZINC000833027433 601230554 /nfs/dbraw/zinc/23/05/54/601230554.db2.gz SZLUKSKBBCAGKI-UHFFFAOYSA-N -2 0 328.346 2.373 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2nnc(C3CC3)s2)cc1C(=O)[O-] ZINC000832956499 601502894 /nfs/dbraw/zinc/50/28/94/601502894.db2.gz IBXQOHPBOCJOSD-UHFFFAOYSA-N -2 0 339.398 2.223 20 0 EEADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000833346687 601603200 /nfs/dbraw/zinc/60/32/00/601603200.db2.gz NFSFJCAOLMBMGJ-UHFFFAOYSA-N -2 0 338.288 2.059 20 0 EEADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)C[C@@H](C)C(=O)[O-])n2)c1 ZINC000827442148 601756498 /nfs/dbraw/zinc/75/64/98/601756498.db2.gz BKYJNRYVCVPBGI-GFCCVEGCSA-N -2 0 345.399 2.494 20 0 EEADRL CCCc1nnc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])s1 ZINC000829574159 601847804 /nfs/dbraw/zinc/84/78/04/601847804.db2.gz RUENPLXVCJFQFA-UHFFFAOYSA-N -2 0 345.377 2.129 20 0 EEADRL C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000827304501 602191775 /nfs/dbraw/zinc/19/17/75/602191775.db2.gz WGIGTVATBVEESA-GFCCVEGCSA-N -2 0 347.392 2.269 20 0 EEADRL COc1ccc(O)c([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000832425202 602309659 /nfs/dbraw/zinc/30/96/59/602309659.db2.gz QXPKVEJOSRQUAQ-WTKPLQERSA-N -2 0 349.364 2.299 20 0 EEADRL CCC(=CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)CC ZINC000828549806 602384772 /nfs/dbraw/zinc/38/47/72/602384772.db2.gz QZEFXVZLIUFVGY-UHFFFAOYSA-N -2 0 325.386 2.077 20 0 EEADRL CC1(C)Cc2cc(S(=O)(=O)[N-]c3cncc(C(=O)[O-])c3)ccc2O1 ZINC000833562247 604535800 /nfs/dbraw/zinc/53/58/00/604535800.db2.gz OZMUXETWKBNWOZ-UHFFFAOYSA-N -2 0 348.380 2.294 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2nnsc21 ZINC001185914263 1278865727 /nfs/dbraw/zinc/86/57/27/1278865727.db2.gz MYUZCUMOGMTQIH-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cnc3occc3c2)cc1 ZINC001192685740 1282103834 /nfs/dbraw/zinc/10/38/34/1282103834.db2.gz QCTANYBSDKEHIJ-UHFFFAOYSA-N -2 0 348.336 2.092 20 0 EEADRL O=C(Nc1cccc2c(=O)[nH][nH]c(=O)c12)c1ccc(F)c(F)c1[O-] ZINC001192810456 1282182410 /nfs/dbraw/zinc/18/24/10/1282182410.db2.gz KAZXMCYCPRJJRZ-UHFFFAOYSA-N -2 0 333.250 2.277 20 0 EEADRL Cc1cnccc1-c1noc(-c2cc(S(=O)(=O)[O-])ccc2[O-])n1 ZINC001215454192 1296909557 /nfs/dbraw/zinc/90/95/57/1296909557.db2.gz NBMXMBAQCBPLIE-UHFFFAOYSA-N -2 0 333.325 2.059 20 0 EEADRL O=C([O-])c1ccc(-n2[n-]c(-c3ccc4c(c3)OCCO4)cc2=O)nc1 ZINC001245945024 1310193633 /nfs/dbraw/zinc/19/36/33/1310193633.db2.gz SIYPQARZPZMIGC-UHFFFAOYSA-N -2 0 339.307 2.109 20 0 EEADRL CCOc1cncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC001260210261 1319833320 /nfs/dbraw/zinc/83/33/20/1319833320.db2.gz UJTADEJBNZGULM-UHFFFAOYSA-N -2 0 340.332 2.118 20 0 EEADRL O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1cc(F)cc(F)c1[O-] ZINC001161170947 1320408482 /nfs/dbraw/zinc/40/84/82/1320408482.db2.gz ORIOZQBCXRLOPC-UHFFFAOYSA-N -2 0 333.250 2.266 20 0 EEADRL O=C([O-])c1ccc(O)cc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001602388948 1350508910 /nfs/dbraw/zinc/50/89/10/1350508910.db2.gz RAEPUYWYEJCQKT-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2ccnn2C2CC2)cc1 ZINC001608662989 1351737277 /nfs/dbraw/zinc/73/72/77/1351737277.db2.gz NRQANUWLUXBEBN-FPYGCLRLSA-N -2 0 333.369 2.117 20 0 EEADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)C1(C2CCCCC2)CCCCC1 ZINC001608732361 1351751266 /nfs/dbraw/zinc/75/12/66/1351751266.db2.gz MAOVIOOFRJZTPQ-UHFFFAOYSA-N -2 0 345.461 2.438 20 0 EEADRL O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC001608819758 1351771310 /nfs/dbraw/zinc/77/13/10/1351771310.db2.gz OMHWJOFVKDGODR-FPMFFAJLSA-N -2 0 332.356 2.203 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCC(F)(F)C2)oc1Cl ZINC001608860271 1351780263 /nfs/dbraw/zinc/78/02/63/1351780263.db2.gz CWDUSJXLOOLNDL-YFKPBYRVSA-N -2 0 329.708 2.097 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]C2CC(Cl)(Cl)C2)oc1Cl ZINC001608860231 1351780456 /nfs/dbraw/zinc/78/04/56/1351780456.db2.gz BCROHUSRRGQZJT-UHFFFAOYSA-N -2 0 348.591 2.246 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(-c3cccnc3)on2)c1 ZINC001608938416 1351798470 /nfs/dbraw/zinc/79/84/70/1351798470.db2.gz JPKUTYKMMGMKEU-UHFFFAOYSA-N -2 0 345.336 2.236 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)C2CCC3(CC3)CC2)c1 ZINC001608938282 1351798629 /nfs/dbraw/zinc/79/86/29/1351798629.db2.gz XABQTZABLWGVEQ-UHFFFAOYSA-N -2 0 337.397 2.160 20 0 EEADRL O=C([O-])c1nc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)cs1 ZINC001608995338 1351810814 /nfs/dbraw/zinc/81/08/14/1351810814.db2.gz RXLVTIIYJOROGZ-SECBINFHSA-N -2 0 332.337 2.060 20 0 EEADRL CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1C ZINC001609625701 1352044478 /nfs/dbraw/zinc/04/44/78/1352044478.db2.gz WEQZLVGAGVVFMA-UHFFFAOYSA-N -2 0 338.341 2.045 20 0 EEADRL CCC(CC)(C(=O)[O-])C(=O)COC(=O)c1cc(F)c([O-])c(F)c1 ZINC001609914410 1352118544 /nfs/dbraw/zinc/11/85/44/1352118544.db2.gz UIKOROQDOAAHOE-UHFFFAOYSA-N -2 0 330.283 2.287 20 0 EEADRL CCc1cc(C2CC2)nc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n1 ZINC001610059100 1352151972 /nfs/dbraw/zinc/15/19/72/1352151972.db2.gz ROVDUYITFXEOLT-UHFFFAOYSA-N -2 0 347.396 2.415 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])c(O)c1 ZINC001610343099 1352208508 /nfs/dbraw/zinc/20/85/08/1352208508.db2.gz YMXQKBRSOIQXED-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL Cc1ccccc1CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])s1 ZINC001610533395 1352240312 /nfs/dbraw/zinc/24/03/12/1352240312.db2.gz WKTZQJKTCZYCOL-UHFFFAOYSA-N -2 0 339.394 2.015 20 0 EEADRL Cc1sc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC001610589765 1352250321 /nfs/dbraw/zinc/25/03/21/1352250321.db2.gz ISPWCVFTWGPJPX-UHFFFAOYSA-N -2 0 341.414 2.088 20 0 EEADRL O=C([O-])c1c2c(sc1[N-]S(=O)(=O)c1cccs1)COCC2 ZINC001610807358 1352278246 /nfs/dbraw/zinc/27/82/46/1352278246.db2.gz SWBYYIPARNGEMD-UHFFFAOYSA-N -2 0 345.423 2.381 20 0 EEADRL O=C([O-])c1cc(Cl)cc([N-]S(=O)(=O)C[C@@H]2CCCCO2)c1O ZINC001610810463 1352278823 /nfs/dbraw/zinc/27/88/23/1352278823.db2.gz ACTPWCMTLCOYEW-VIFPVBQESA-N -2 0 349.792 2.055 20 0 EEADRL Cc1c(NC(=O)NC[C@H](C(=O)[O-])C(C)C)ccc(F)c1C(=O)[O-] ZINC001600040885 1349960415 /nfs/dbraw/zinc/96/04/15/1349960415.db2.gz WAASOZXEEBAZOL-VIFPVBQESA-N -2 0 326.324 2.311 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cncc(F)c2)ccc(F)c1C(=O)[O-] ZINC001600054603 1349962705 /nfs/dbraw/zinc/96/27/05/1349962705.db2.gz MEKYUCIWKKKYKE-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL Cc1cc(NC(=O)c2ncc(Br)cc2[O-])c(C(=O)[O-])[nH]1 ZINC001600277021 1350008931 /nfs/dbraw/zinc/00/89/31/1350008931.db2.gz MTLZBFLJYZUFQM-UHFFFAOYSA-N -2 0 340.133 2.137 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)c(C)c1O ZINC001600464020 1350057717 /nfs/dbraw/zinc/05/77/17/1350057717.db2.gz MOARNSZASBCBBN-UHFFFAOYSA-N -2 0 336.369 2.211 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2nc(C3CC3)c(C(=O)[O-])s2)cn1 ZINC001600483828 1350062664 /nfs/dbraw/zinc/06/26/64/1350062664.db2.gz ZFUMCXYVMJFEBJ-UHFFFAOYSA-N -2 0 339.398 2.223 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cn(C)nc2C2CC2)c(C(=O)[O-])c1 ZINC001600483789 1350062967 /nfs/dbraw/zinc/06/29/67/1350062967.db2.gz SPVYONPVXWSGEO-UHFFFAOYSA-N -2 0 335.385 2.105 20 0 EEADRL Cc1cccc(-c2cncc(C(=O)N(CCC(=O)[O-])CC(=O)[O-])c2)c1 ZINC001600505979 1350069059 /nfs/dbraw/zinc/06/90/59/1350069059.db2.gz ASLNMTZUTBQQBK-UHFFFAOYSA-N -2 0 342.351 2.059 20 0 EEADRL Cn1ccc2cccc([N-]S(=O)(=O)c3cncc(C(=O)[O-])c3)c21 ZINC001600978333 1350181244 /nfs/dbraw/zinc/18/12/44/1350181244.db2.gz WRHBACYYYUJVJA-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C1 ZINC001601765174 1350359013 /nfs/dbraw/zinc/35/90/13/1350359013.db2.gz OGUJCOKBTCDZSS-VHSXEESVSA-N -2 0 349.770 2.106 20 0 EEADRL O=C([O-])C[C@H](NS(=O)(=O)c1cccc(Cl)c1[O-])C1CCCC1 ZINC001601910087 1350395253 /nfs/dbraw/zinc/39/52/53/1350395253.db2.gz XTGQXICMRHUQTQ-NSHDSACASA-N -2 0 347.820 2.357 20 0 EEADRL O=C([O-])COc1cccc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC001602092487 1350435552 /nfs/dbraw/zinc/43/55/52/1350435552.db2.gz DTHJJVXMJBHOLA-OAHLLOKOSA-N -2 0 343.335 2.347 20 0 EEADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cnn(C3CCCC3)c2)c1 ZINC001602447020 1350521390 /nfs/dbraw/zinc/52/13/90/1350521390.db2.gz IORPVJVWGFQTNE-UHFFFAOYSA-N -2 0 335.385 2.497 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cn2)c1 ZINC001602559284 1350546720 /nfs/dbraw/zinc/54/67/20/1350546720.db2.gz PEBXUGJJUCTLES-UHFFFAOYSA-N -2 0 337.140 2.480 20 0 EEADRL CC(C)[C@H](CNC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)C(=O)[O-] ZINC001603723407 1350750834 /nfs/dbraw/zinc/75/08/34/1350750834.db2.gz VDUXUMQCJDXWGR-LBPRGKRZSA-N -2 0 333.344 2.344 20 0 EEADRL C[C@@](CNC(=O)Cc1cccc(C(=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC001604174652 1350883203 /nfs/dbraw/zinc/88/32/03/1350883203.db2.gz SUPCATDQBJAELH-IBGZPJMESA-N -2 0 341.363 2.086 20 0 EEADRL CCC(CC)(CC(=O)[O-])NC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC001604992184 1351048273 /nfs/dbraw/zinc/04/82/73/1351048273.db2.gz IBLBDWKHUXSPQP-UHFFFAOYSA-N -2 0 349.362 2.480 20 0 EEADRL CSc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)nc1 ZINC001607410165 1351489960 /nfs/dbraw/zinc/48/99/60/1351489960.db2.gz YNJYLZWCOOKXGQ-UHFFFAOYSA-N -2 0 338.410 2.231 20 0 EEADRL Cc1c(NC(=O)NC[C@H](C(=O)[O-])C2CCC2)ccc(F)c1C(=O)[O-] ZINC001607542898 1351513310 /nfs/dbraw/zinc/51/33/10/1351513310.db2.gz SPELSXOVPBOEMX-JTQLQIEISA-N -2 0 338.335 2.455 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cnn1CC(C)C ZINC001607553140 1351514741 /nfs/dbraw/zinc/51/47/41/1351514741.db2.gz WNJTWVWMGXNVOE-UHFFFAOYSA-N -2 0 343.430 2.408 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cccc(CCC(=O)[O-])c2)sn1 ZINC001607708107 1351543388 /nfs/dbraw/zinc/54/33/88/1351543388.db2.gz WJNPSUWKFQQPTG-UHFFFAOYSA-N -2 0 326.399 2.270 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2ncsc2C2CC2)cc1C(=O)[O-] ZINC001607985484 1351598311 /nfs/dbraw/zinc/59/83/11/1351598311.db2.gz VRLUIBLFBLVUSM-UHFFFAOYSA-N -2 0 339.398 2.223 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cs1 ZINC001195205441 1368509533 /nfs/dbraw/zinc/50/95/33/1368509533.db2.gz INLJBJSCXFJZNJ-UHFFFAOYSA-N -2 0 334.325 2.229 20 0 EEADRL CCCCNC(=O)N[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000064375576 773571318 /nfs/dbraw/zinc/57/13/18/773571318.db2.gz BTFLEMWDKPVPQY-UHFFFAOYSA-N -2 0 340.232 2.286 20 0 EEADRL CC[C@H](C)[C@H](C)C(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000182933795 780072109 /nfs/dbraw/zinc/07/21/09/780072109.db2.gz RJTJFGBSUWLJLF-RYUDHWBXSA-N -2 0 330.388 2.021 20 0 EEADRL CC(C)c1cccc(-c2ccc(C(=O)[N-]n3c(=O)[n-][nH]c3=O)o2)c1 ZINC000816731079 784208929 /nfs/dbraw/zinc/20/89/29/784208929.db2.gz AFAMMXZXJNHRSC-UHFFFAOYSA-N -2 0 328.328 2.457 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)CC2CC(c3ccccc3)C2)C1 ZINC000910182734 786514838 /nfs/dbraw/zinc/51/48/38/786514838.db2.gz JGAJXSVPTWFXHB-IGDQZBHYSA-N -2 0 345.395 2.347 20 0 EEADRL CC(C)(C)c1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1 ZINC000910185353 786517462 /nfs/dbraw/zinc/51/74/62/786517462.db2.gz IAZBUJUREBASRF-JSGCOSHPSA-N -2 0 333.384 2.374 20 0 EEADRL CCc1ccc([C@H](C)C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1 ZINC000910187883 786520584 /nfs/dbraw/zinc/52/05/84/786520584.db2.gz HGUOMIBVAKLJAC-GLQYFDAESA-N -2 0 333.384 2.129 20 0 EEADRL CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(F)c(F)c1[O-] ZINC000844664039 789297684 /nfs/dbraw/zinc/29/76/84/789297684.db2.gz OMWGOJWZFDHSPT-JTQLQIEISA-N -2 0 337.344 2.144 20 0 EEADRL Cc1cn2c(cccc2[N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n1 ZINC001184653045 802118048 /nfs/dbraw/zinc/11/80/48/802118048.db2.gz JBDWUTOZBSWVTR-UHFFFAOYSA-N -2 0 345.380 2.450 20 0 EEADRL O=P([O-])([O-])OCCNc1ncc(Cl)nc1-c1ccccc1 ZINC001157795871 810429732 /nfs/dbraw/zinc/42/97/32/810429732.db2.gz OWWNJYLZJNJTAR-UHFFFAOYSA-N -2 0 329.680 2.318 20 0 EEADRL CC(C)n1cc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)cn1 ZINC000325535397 971225284 /nfs/dbraw/zinc/22/52/84/971225284.db2.gz GBQKPESWMGIYIF-UHFFFAOYSA-N -2 0 349.412 2.381 20 0 EEADRL CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001589673210 949952607 /nfs/dbraw/zinc/95/26/07/949952607.db2.gz BDUHKOHBCHAOTD-VHSXEESVSA-N -2 0 349.412 2.246 20 0 EEADRL CCC(=O)c1ccc([O-])c(NC(=O)C2(CC(=O)[O-])CCOCC2)c1 ZINC001589426877 954635167 /nfs/dbraw/zinc/63/51/67/954635167.db2.gz YRBWIVSHJXPCEA-UHFFFAOYSA-N -2 0 335.356 2.195 20 0 EEADRL O=Cc1ccc(-c2ccc(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)c([O-])c2)o1 ZINC000874967772 956232856 /nfs/dbraw/zinc/23/28/56/956232856.db2.gz MIKMVLAIIVRWGZ-NEPJUHHUSA-N -2 0 343.335 2.448 20 0 EEADRL C[C@]1(C(=O)[O-])CCN(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1 ZINC001589196468 956613714 /nfs/dbraw/zinc/61/37/14/956613714.db2.gz NCDYYJKTPURFMJ-INIZCTEOSA-N -2 0 349.774 2.168 20 0 EEADRL O=C([O-])[C@@H](NC(=O)c1cc(F)cc(F)c1[O-])c1ccc(F)cc1 ZINC001594716236 956930675 /nfs/dbraw/zinc/93/06/75/956930675.db2.gz ONRFKFHPVIKBGO-LBPRGKRZSA-N -2 0 325.242 2.365 20 0 EEADRL O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000391017617 972312645 /nfs/dbraw/zinc/31/26/45/972312645.db2.gz WKSLQHJYAGVNEA-LTMDPNIMSA-N -2 0 329.274 2.135 20 0 EEADRL Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1C ZINC000218607155 959788942 /nfs/dbraw/zinc/78/89/42/959788942.db2.gz FAIOTVCZZRUJGT-UHFFFAOYSA-N -2 0 329.765 2.179 20 0 EEADRL O=C([O-])c1coc(CNCc2ncc(Br)cc2[O-])c1 ZINC001571174442 962090716 /nfs/dbraw/zinc/09/07/16/962090716.db2.gz VZSKVOUEAVXLMX-UHFFFAOYSA-N -2 0 327.134 2.131 20 0 EEADRL CC(C)c1ccc(N2CC[C@H](C(=O)[N-]OCCCC(=O)[O-])C2=O)cc1 ZINC001591960359 976543717 /nfs/dbraw/zinc/54/37/17/976543717.db2.gz WHVYTXRLMSVRBT-OAHLLOKOSA-N -2 0 348.399 2.076 20 0 EEADRL CC(C)c1ccsc1C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-] ZINC001592003578 976662862 /nfs/dbraw/zinc/66/28/62/976662862.db2.gz XUMBIQXZZTYOSF-IUCAKERBSA-N -2 0 333.431 2.040 20 0 EEADRL C[C@](CC(=O)[O-])(NC(=O)c1nn(-c2cccc(F)c2)cc1[O-])C1CC1 ZINC001592320113 977713894 /nfs/dbraw/zinc/71/38/94/977713894.db2.gz GAOINFXDDIQOGN-QGZVFWFLSA-N -2 0 347.346 2.090 20 0 EEADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cn2C)c1C ZINC001595026882 979138071 /nfs/dbraw/zinc/13/80/71/979138071.db2.gz MJJZGHYUBQJQLW-SECBINFHSA-N -2 0 340.405 2.000 20 0 EEADRL CCC(CC)(CNC(=O)NCCc1ccc(C(=O)[O-])cc1)C(=O)[O-] ZINC001595067885 979331439 /nfs/dbraw/zinc/33/14/39/979331439.db2.gz JEINXZBKOOEVDZ-UHFFFAOYSA-N -2 0 336.388 2.118 20 0 EEADRL CC[C@@H](C)C[C@@H](NC(=O)c1nn(-c2ccccc2F)cc1[O-])C(=O)[O-] ZINC001594950364 982659564 /nfs/dbraw/zinc/65/95/64/982659564.db2.gz XWUQLRUILSCUCU-ZYHUDNBSSA-N -2 0 349.362 2.336 20 0 EEADRL CCCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)n[nH]1 ZINC001596058413 983365817 /nfs/dbraw/zinc/36/58/17/983365817.db2.gz KPNQQBNWZFIYSN-UHFFFAOYSA-N -2 0 341.364 2.309 20 0 EEADRL C[C@H]1CN(C(=O)c2c(O)cnc3c(F)cccc32)C[C@]1(C)C(=O)[O-] ZINC001599923654 985171226 /nfs/dbraw/zinc/17/12/26/985171226.db2.gz PXHIINFPBOBMAT-XYZCENFISA-N -2 0 332.331 2.262 20 0 EEADRL C[C@H]1CN(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CC[C@@H]1C(=O)[O-] ZINC001594478434 985504370 /nfs/dbraw/zinc/50/43/70/985504370.db2.gz BKKQICYSHJMNRL-CABZTGNLSA-N -2 0 338.335 2.027 20 0 EEADRL CCOc1ncc(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001597197939 987093656 /nfs/dbraw/zinc/09/36/56/987093656.db2.gz PSAWGGBBAOOUDS-UHFFFAOYSA-N -2 0 340.357 2.189 20 0 EEADRL C[C@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])cc1 ZINC001589511379 987138931 /nfs/dbraw/zinc/13/89/31/987138931.db2.gz BJIXSXDGPWBING-FASAMLHVSA-N -2 0 329.352 2.336 20 0 EEADRL CCn1ncc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)cc21 ZINC001597962259 989988587 /nfs/dbraw/zinc/98/85/87/989988587.db2.gz FFXRDVWXIDCPQC-UHFFFAOYSA-N -2 0 335.341 2.148 20 0 EEADRL CC(C)C[C@H](CNC(=O)NCc1ccc(C(=O)[O-])s1)CC(=O)[O-] ZINC001591448682 992553369 /nfs/dbraw/zinc/55/33/69/992553369.db2.gz RBMDXSWDSDDBGD-JTQLQIEISA-N -2 0 342.417 2.383 20 0 EEADRL C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)[N-]OCCCC(=O)[O-] ZINC001593612889 995817454 /nfs/dbraw/zinc/81/74/54/995817454.db2.gz ANMYAHMVRFKYQS-VIFPVBQESA-N -2 0 335.278 2.385 20 0 EEADRL CON(C(=O)c1ccc(Br)cc1[O-])[C@@H](C)CC(=O)[O-] ZINC001599311159 997416407 /nfs/dbraw/zinc/41/64/07/997416407.db2.gz JGGAGIRDGHPCBU-ZETCQYMHSA-N -2 0 332.150 2.022 20 0 EEADRL CO[C@@H]1CCC[C@H]([C@H](NC(=O)c2cccc(Cl)c2[O-])C(=O)[O-])C1 ZINC001599110762 997563112 /nfs/dbraw/zinc/56/31/12/997563112.db2.gz RJWURJBVYYFFAS-CWSCBRNRSA-N -2 0 341.791 2.434 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1-n1cccn1 ZINC000336877230 160566232 /nfs/dbraw/zinc/56/62/32/160566232.db2.gz OQFBNVUXGHDFKZ-UHFFFAOYSA-N -2 0 347.352 2.273 20 0 EEADRL COc1cc(F)c(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1F ZINC000344014342 161189908 /nfs/dbraw/zinc/18/99/08/161189908.db2.gz PJSHNHOCGZBIBZ-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL Cc1nn(C)cc1S(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-] ZINC000352439884 162135490 /nfs/dbraw/zinc/13/54/90/162135490.db2.gz XOVLIJJNAAWVER-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL C[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)s1)CC(=O)[O-] ZINC000290982582 275257725 /nfs/dbraw/zinc/25/77/25/275257725.db2.gz QFYMTYSRFPDMRQ-ZCFIWIBFSA-N -2 0 331.337 2.156 20 0 EEADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cccc3c2CCO3)c1 ZINC000436932859 315014498 /nfs/dbraw/zinc/01/44/98/315014498.db2.gz RAJFYFWNWNGRCG-UHFFFAOYSA-N -2 0 349.364 2.135 20 0 EEADRL Cc1c2cc(F)ccc2oc1S(=O)(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000548554759 318395828 /nfs/dbraw/zinc/39/58/28/318395828.db2.gz JPTUOYIPCWNLLT-LBPRGKRZSA-N -2 0 327.333 2.022 20 0 EEADRL Cc1c(F)cc(S(=O)(=O)[N-]c2ccn(C(C)C)n2)cc1C(=O)[O-] ZINC000566009580 319235068 /nfs/dbraw/zinc/23/50/68/319235068.db2.gz BMCOFTPTFUNOTN-UHFFFAOYSA-N -2 0 341.364 2.411 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)cc1C(=O)[O-] ZINC000355814233 465273155 /nfs/dbraw/zinc/27/31/55/465273155.db2.gz LSBMQTVWUBPESW-UHFFFAOYSA-N -2 0 335.385 2.027 20 0 EEADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000062639827 462622269 /nfs/dbraw/zinc/62/22/69/462622269.db2.gz VTAXNVAVFMOKKQ-UHFFFAOYSA-N -2 0 330.749 2.176 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2SC)cn1 ZINC000066578611 462906190 /nfs/dbraw/zinc/90/61/90/462906190.db2.gz ZXIKZOQGNXMDHQ-UHFFFAOYSA-N -2 0 341.414 2.124 20 0 EEADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000048807625 462939315 /nfs/dbraw/zinc/93/93/15/462939315.db2.gz HPWOGAIGRLAFHF-UHFFFAOYSA-N -2 0 329.765 2.179 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC)cc1 ZINC000096697652 463296014 /nfs/dbraw/zinc/29/60/14/463296014.db2.gz ZPPQFJLQJXZSCZ-UHFFFAOYSA-N -2 0 337.353 2.203 20 0 EEADRL COc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1O ZINC000351745703 465334607 /nfs/dbraw/zinc/33/46/07/465334607.db2.gz CEWAQCJAVVICJB-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1C ZINC000340126374 465789961 /nfs/dbraw/zinc/78/99/61/465789961.db2.gz AONXDEDXISQPTN-UHFFFAOYSA-N -2 0 336.369 2.035 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc(OC)c1 ZINC000321085162 466617420 /nfs/dbraw/zinc/61/74/20/466617420.db2.gz IVIAAPJVROIUMY-UHFFFAOYSA-N -2 0 341.341 2.104 20 0 EEADRL Cc1ccsc1-c1nc(=NC(=O)N(C)CCCC(=O)[O-])s[n-]1 ZINC000417801513 466938940 /nfs/dbraw/zinc/93/89/40/466938940.db2.gz WKDDIVYWNQXELG-UHFFFAOYSA-N -2 0 340.430 2.325 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cn(C)c(C(C)C)n2)cc1C(=O)[O-] ZINC000556702009 468550620 /nfs/dbraw/zinc/55/06/20/468550620.db2.gz ATFBXJADFYTGEY-UHFFFAOYSA-N -2 0 337.401 2.351 20 0 EEADRL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1ccsc1)OCCO2 ZINC000560420580 468803683 /nfs/dbraw/zinc/80/36/83/468803683.db2.gz AWHOLFVLKWAPOU-UHFFFAOYSA-N -2 0 341.366 2.018 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2n[nH]c3ccccc32)cc1C(=O)[O-] ZINC000738069494 577998260 /nfs/dbraw/zinc/99/82/60/577998260.db2.gz BDKMHCKJHWKUJD-UHFFFAOYSA-N -2 0 347.352 2.071 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cnn(CC3CC3)c2)ccc1C(=O)[O-] ZINC000777623381 577483327 /nfs/dbraw/zinc/48/33/27/577483327.db2.gz DQZTZFVNLUYZEC-UHFFFAOYSA-N -2 0 335.385 2.101 20 0 EEADRL CCn1cc([N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)cn1 ZINC000759094877 577636981 /nfs/dbraw/zinc/63/69/81/577636981.db2.gz OCFULTDNPGAMKR-UHFFFAOYSA-N -2 0 343.792 2.364 20 0 EEADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)/C=C\c2ccc(Cl)cc2)n1 ZINC000739919625 578073378 /nfs/dbraw/zinc/07/33/78/578073378.db2.gz COGXLWPYTWJNRI-VURMDHGXSA-N -2 0 341.776 2.034 20 0 EEADRL O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cnoc1 ZINC000740122354 578081638 /nfs/dbraw/zinc/08/16/38/578081638.db2.gz AGCPDPZDPMKRQF-UHFFFAOYSA-N -2 0 336.247 2.192 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])cc1C ZINC000321310115 600515339 /nfs/dbraw/zinc/51/53/39/600515339.db2.gz BHUFUPRMIZPCPL-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2ncc(C(C)(C)C)s2)cc1C(=O)[O-] ZINC000833056071 600830721 /nfs/dbraw/zinc/83/07/21/600830721.db2.gz WGJPKOPVRHEBJZ-UHFFFAOYSA-N -2 0 343.430 2.278 20 0 EEADRL C[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000828232325 600943528 /nfs/dbraw/zinc/94/35/28/600943528.db2.gz FXTFRDGFHBDTSC-MNOVXSKESA-N -2 0 325.386 2.016 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)s1 ZINC000833324470 600989348 /nfs/dbraw/zinc/98/93/48/600989348.db2.gz RMNCBUAXNOWFLN-UHFFFAOYSA-N -2 0 349.393 2.433 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2F)s1 ZINC000833320717 601224928 /nfs/dbraw/zinc/22/49/28/601224928.db2.gz BGNIOZBMVZEAGU-UHFFFAOYSA-N -2 0 345.329 2.084 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2cc3n[nH]cc3cc2C)cc1C(=O)[O-] ZINC000832906768 601234076 /nfs/dbraw/zinc/23/40/76/601234076.db2.gz WPRXZHXUQYUGMV-UHFFFAOYSA-N -2 0 335.341 2.272 20 0 EEADRL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)nc1 ZINC000830639546 601361061 /nfs/dbraw/zinc/36/10/61/601361061.db2.gz ISUDNVDNHZFLHJ-BJMVGYQFSA-N -2 0 347.396 2.046 20 0 EEADRL CCc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])no1 ZINC000830224595 601363536 /nfs/dbraw/zinc/36/35/36/601363536.db2.gz QWABXDDEJQODKK-UHFFFAOYSA-N -2 0 330.749 2.389 20 0 EEADRL CCCc1nnc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)s1 ZINC000829573851 601502506 /nfs/dbraw/zinc/50/25/06/601502506.db2.gz IPCCZTOOJVABBB-UHFFFAOYSA-N -2 0 341.414 2.298 20 0 EEADRL CC(C)(C)c1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)s1 ZINC000826528125 601502789 /nfs/dbraw/zinc/50/27/89/601502789.db2.gz KBKSOHBHNPKPHS-UHFFFAOYSA-N -2 0 341.414 2.335 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2nnc(C3CC3)s2)ccc1C(=O)[O-] ZINC000832904533 601502837 /nfs/dbraw/zinc/50/28/37/601502837.db2.gz QSARAOMJTWJJCM-UHFFFAOYSA-N -2 0 339.398 2.223 20 0 EEADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000833346359 601603190 /nfs/dbraw/zinc/60/31/90/601603190.db2.gz IRANUCYJQIHCER-UHFFFAOYSA-N -2 0 336.753 2.435 20 0 EEADRL CCCCC[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)C(=O)[O-] ZINC000829332880 601760831 /nfs/dbraw/zinc/76/08/31/601760831.db2.gz DHXPINRYGIVVEZ-LLVKDONJSA-N -2 0 349.412 2.387 20 0 EEADRL CC(C)c1csc([N-]S(=O)(=O)c2csnc2C(=O)[O-])n1 ZINC000827144654 601767280 /nfs/dbraw/zinc/76/72/80/601767280.db2.gz RKJBKMZIISILQV-UHFFFAOYSA-N -2 0 333.416 2.222 20 0 EEADRL CCCCc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)[nH]n1 ZINC000829431258 602103193 /nfs/dbraw/zinc/10/31/93/602103193.db2.gz ZCULHNVAOUGHPF-UHFFFAOYSA-N -2 0 329.403 2.313 20 0 EEADRL O=C([O-])c1csc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000833344054 602118465 /nfs/dbraw/zinc/11/84/65/602118465.db2.gz ZTFFCXVOMLQAIT-UHFFFAOYSA-N -2 0 341.366 2.018 20 0 EEADRL Cc1ccn(-c2ccccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)n1 ZINC000832982921 602309973 /nfs/dbraw/zinc/30/99/73/602309973.db2.gz XULIWSZRJZSTHB-UHFFFAOYSA-N -2 0 347.352 2.273 20 0 EEADRL O=C([O-])C1CCC(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000833772116 605118143 /nfs/dbraw/zinc/11/81/43/605118143.db2.gz HKITUGOIMFDNLX-UHFFFAOYSA-N -2 0 345.804 2.036 20 0 EEADRL CC(C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833468987 605118187 /nfs/dbraw/zinc/11/81/87/605118187.db2.gz OSGIPIQGKSFHNI-MRVPVSSYSA-N -2 0 333.793 2.135 20 0 EEADRL CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CCC1 ZINC000863962360 1197938258 /nfs/dbraw/zinc/93/82/58/1197938258.db2.gz IKGOMHZBAJXBRV-ZDUSSCGKSA-N -2 0 339.413 2.085 20 0 EEADRL COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1 ZINC000391088339 1253541966 /nfs/dbraw/zinc/54/19/66/1253541966.db2.gz NWQGYBALDFNCCI-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL Cc1nc2ccccn2c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185876557 1278845330 /nfs/dbraw/zinc/84/53/30/1278845330.db2.gz UUCJPVDKCZMACL-UHFFFAOYSA-N -2 0 345.380 2.450 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(F)c(F)c1 ZINC001185879147 1278846737 /nfs/dbraw/zinc/84/67/37/1278846737.db2.gz JJFZGFMTEIGYSI-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL Cn1nc(C2CC2)cc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192100161 1281797031 /nfs/dbraw/zinc/79/70/31/1281797031.db2.gz MBLZOQGRLYYBOP-UHFFFAOYSA-N -2 0 349.412 2.116 20 0 EEADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cnc(F)c(F)c2)cc1 ZINC001192116595 1281805940 /nfs/dbraw/zinc/80/59/40/1281805940.db2.gz VTXKHFGARWCTSP-UHFFFAOYSA-N -2 0 342.323 2.178 20 0 EEADRL O=S(=O)([O-])c1ccc([O-])c(-c2nc(-c3cccc(F)c3)no2)c1 ZINC001215454417 1296909537 /nfs/dbraw/zinc/90/95/37/1296909537.db2.gz YTPDVVPXPJTHBE-UHFFFAOYSA-N -2 0 336.300 2.495 20 0 EEADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(S(=O)(=O)[O-])c2)c1 ZINC001259637233 1319634859 /nfs/dbraw/zinc/63/48/59/1319634859.db2.gz LCMNEMGZNWHLSE-UHFFFAOYSA-N -2 0 345.373 2.182 20 0 EEADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]c1ccc2ccccc2n1 ZINC001602585277 1350551277 /nfs/dbraw/zinc/55/12/77/1350551277.db2.gz NXAZXUZDDZGATO-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL C[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)C(C)(C)C ZINC001604209131 1350893498 /nfs/dbraw/zinc/89/34/98/1350893498.db2.gz GBFHBIDTZZBANO-IJLUTSLNSA-N -2 0 333.450 2.006 20 0 EEADRL O=C([O-])c1ccc(OCCNC(=O)c2s[n-]c(=O)c2Cl)cc1 ZINC001608907351 1351791341 /nfs/dbraw/zinc/79/13/41/1351791341.db2.gz JJZXRIXYDOCVBK-UHFFFAOYSA-N -2 0 342.760 2.009 20 0 EEADRL O=C([O-])c1ccc2c(c1)N(C(=O)c1ccc3oc(=O)nc-3[n-]1)CCC2 ZINC001608923941 1351795470 /nfs/dbraw/zinc/79/54/70/1351795470.db2.gz AOCNPWLNZIJHBZ-UHFFFAOYSA-N -2 0 339.307 2.220 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2ccccc2N2CCCC2)c1 ZINC001608991487 1351809818 /nfs/dbraw/zinc/80/98/18/1351809818.db2.gz XSYYIIWCQAUCEA-UHFFFAOYSA-N -2 0 336.369 2.379 20 0 EEADRL CC[C@H](C)C[C@H](NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)C(=O)[O-] ZINC001609904430 1352115850 /nfs/dbraw/zinc/11/58/50/1352115850.db2.gz KHBXZJASFKFONR-NHYWBVRUSA-N -2 0 345.399 2.093 20 0 EEADRL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1C ZINC001609911635 1352117857 /nfs/dbraw/zinc/11/78/57/1352117857.db2.gz TXOHXYWPXVGLLP-SSDOTTSWSA-N -2 0 344.418 2.118 20 0 EEADRL CCC[C@@](C)(NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(=O)[O-] ZINC001609953377 1352128689 /nfs/dbraw/zinc/12/86/89/1352128689.db2.gz WJVMQWRSEOEDBC-MRXNPFEDSA-N -2 0 335.335 2.090 20 0 EEADRL CC[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC001610054224 1352151118 /nfs/dbraw/zinc/15/11/18/1352151118.db2.gz HIRQGYTWFZVBMU-HAQNSBGRSA-N -2 0 339.413 2.406 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)c1 ZINC001610867896 1352287786 /nfs/dbraw/zinc/28/77/86/1352287786.db2.gz PLXYYFJLCGCVLL-UHFFFAOYSA-N -2 0 333.268 2.380 20 0 EEADRL Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccnn2C2CCC2)s1 ZINC001600104261 1349971779 /nfs/dbraw/zinc/97/17/79/1349971779.db2.gz MMCZHBPZBZCVPQ-UHFFFAOYSA-N -2 0 341.414 2.477 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)c2cc(C)cc(C)c2)oc1C(=O)[O-] ZINC001600167495 1349984426 /nfs/dbraw/zinc/98/44/26/1349984426.db2.gz JYONEXXNGYHCBY-UHFFFAOYSA-N -2 0 337.353 2.022 20 0 EEADRL Cc1cc(NC(=O)C(=O)[N-]OC2CCCCC2)c(C(=O)[O-])s1 ZINC001600249897 1350002078 /nfs/dbraw/zinc/00/20/78/1350002078.db2.gz FALJMEPODQCQRM-UHFFFAOYSA-N -2 0 326.374 2.074 20 0 EEADRL Cc1ccc(NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)cc1C(=O)[O-] ZINC001600463666 1350057969 /nfs/dbraw/zinc/05/79/69/1350057969.db2.gz FIQRAOSTLMHRFM-UHFFFAOYSA-N -2 0 349.364 2.333 20 0 EEADRL Cn1ccc2cccc([N-]S(=O)(=O)c3ccc(O)c(C(=O)[O-])c3)c21 ZINC001600978380 1350181075 /nfs/dbraw/zinc/18/10/75/1350181075.db2.gz ZFYYBSJUERXYKR-UHFFFAOYSA-N -2 0 346.364 2.383 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)CCC2CCCC2)s1 ZINC001601263694 1350244794 /nfs/dbraw/zinc/24/47/94/1350244794.db2.gz DNYKVQWFCQPYPK-UHFFFAOYSA-N -2 0 331.415 2.222 20 0 EEADRL O=C([O-])C1CC2(C1)CN(c1ccnc(C(F)(F)F)c1)C[C@@H]2C(=O)[O-] ZINC001601782100 1350363578 /nfs/dbraw/zinc/36/35/78/1350363578.db2.gz QKCFZNLSMYGFPL-MHMQJKDYSA-N -2 0 344.289 2.102 20 0 EEADRL O=C([O-])CCN(CC(=O)[O-])C(=O)c1cc2cc(Cl)ccc2o1 ZINC001602004811 1350416452 /nfs/dbraw/zinc/41/64/52/1350416452.db2.gz MQIJRGNTAGXHAV-UHFFFAOYSA-N -2 0 325.704 2.088 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccc3ccccc3c2)on1 ZINC001602296671 1350487589 /nfs/dbraw/zinc/48/75/89/1350487589.db2.gz LZVGDJDKUMNTGL-UHFFFAOYSA-N -2 0 332.337 2.005 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2c[nH]nc2C2CC2)ccc1Cl ZINC001602297234 1350487888 /nfs/dbraw/zinc/48/78/88/1350487888.db2.gz QWIGPIXKPSPROK-UHFFFAOYSA-N -2 0 341.776 2.440 20 0 EEADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)C2(F)CCCCC2)c1 ZINC001602439134 1350520003 /nfs/dbraw/zinc/52/00/03/1350520003.db2.gz PEISGXNDKVLABS-UHFFFAOYSA-N -2 0 343.376 2.003 20 0 EEADRL O=C([O-])c1ccccc1C(=O)OCc1noc(-c2ccccc2O)n1 ZINC001602466854 1350525896 /nfs/dbraw/zinc/52/58/96/1350525896.db2.gz SPCBGIFSQPWEIA-UHFFFAOYSA-N -2 0 340.291 2.497 20 0 EEADRL O=C([O-])c1n[nH]c2ccc(NC(=O)[C@@]3(C(=O)[O-])CC=CCC3)cc21 ZINC001602567605 1350548501 /nfs/dbraw/zinc/54/85/01/1350548501.db2.gz TZMYDZSIZVNXQH-MRXNPFEDSA-N -2 0 329.312 2.011 20 0 EEADRL O=C([O-])[C@]12C[C@H]1CCCN2C(=O)c1cccc(Br)c1[O-] ZINC001602626606 1350561029 /nfs/dbraw/zinc/56/10/29/1350561029.db2.gz HNYWOSLFYDFTOK-CLAHSXSESA-N -2 0 340.173 2.234 20 0 EEADRL CC(C)(C)c1nc(NC(=O)C2(C(=O)[O-])CCC2)sc1C(=O)[O-] ZINC001603556901 1350719215 /nfs/dbraw/zinc/71/92/15/1350719215.db2.gz PDIPPEQSQQVFAW-UHFFFAOYSA-N -2 0 326.374 2.332 20 0 EEADRL CC(C)[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001603752759 1350757562 /nfs/dbraw/zinc/75/75/62/1350757562.db2.gz QBZUEDPMORAWOP-RKDXNWHRSA-N -2 0 345.804 2.135 20 0 EEADRL CC(C)c1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)no1 ZINC001604018789 1350830641 /nfs/dbraw/zinc/83/06/41/1350830641.db2.gz USAQIRPJXUDUKS-UHFFFAOYSA-N -2 0 345.764 2.345 20 0 EEADRL C[C@H]1CN(c2cc(C(F)(F)F)c(C(=O)[O-])cn2)CC[C@H]1C(=O)[O-] ZINC001604807860 1351010755 /nfs/dbraw/zinc/01/07/55/1351010755.db2.gz GIJLWLQPRWLKQR-JGVFFNPUSA-N -2 0 332.278 2.346 20 0 EEADRL CCCc1cc([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])n(C)n1 ZINC001605372514 1351146700 /nfs/dbraw/zinc/14/67/00/1351146700.db2.gz BRNWBNFOGPCHOE-UHFFFAOYSA-N -2 0 343.430 2.242 20 0 EEADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cn2)c1 ZINC001607264235 1351461266 /nfs/dbraw/zinc/46/12/66/1351461266.db2.gz VADQPFNZFVYOJS-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL C[C@]1(C(=O)[O-])[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001607482640 1351501162 /nfs/dbraw/zinc/50/11/62/1351501162.db2.gz CLRPWBBKZSXLFL-DLXUEXIISA-N -2 0 347.342 2.304 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)oc1C(=O)[O-] ZINC001607705083 1351543333 /nfs/dbraw/zinc/54/33/33/1351543333.db2.gz DNAJDIRRLHHHKK-FXPVBKGRSA-N -2 0 343.401 2.163 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cc3c(cc2C)OCO3)oc1C(=O)[O-] ZINC001607711831 1351544309 /nfs/dbraw/zinc/54/43/09/1351544309.db2.gz MTSDBGREPLKLHU-UHFFFAOYSA-N -2 0 339.325 2.124 20 0 EEADRL Cc1cccc(C[C@H](CNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)C(=O)[O-])c1 ZINC001607848459 1351570993 /nfs/dbraw/zinc/57/09/93/1351570993.db2.gz CEDVQGZYCCSDQR-DNVCBOLYSA-N -2 0 345.395 2.166 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC001607927817 1351587389 /nfs/dbraw/zinc/58/73/89/1351587389.db2.gz NSVKNCSAXSFYKV-UHFFFAOYSA-N -3 0 341.366 2.254 20 0 EEADRL O=C([O-])CCCCCCCNC(=O)c1n[n-]c2ccccc2c1=O ZINC000238111919 774722402 /nfs/dbraw/zinc/72/24/02/774722402.db2.gz KNYCLLLOQXCDMH-UHFFFAOYSA-N -2 0 331.372 2.078 20 0 EEADRL CCOC(=O)[C@@H](CC)c1ccc(NCCOP(=O)([O-])[O-])cc1 ZINC001168591615 790793797 /nfs/dbraw/zinc/79/37/97/790793797.db2.gz DUBCUGLDYLYUDQ-ZDUSSCGKSA-N -2 0 331.305 2.265 20 0 EEADRL Cc1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c(C)n1C(C)C ZINC000910187598 786520356 /nfs/dbraw/zinc/52/03/56/786520356.db2.gz FSOMMJJYTGYOCB-TZMCWYRMSA-N -2 0 336.388 2.076 20 0 EEADRL C[C@H](CC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])C1CCCCC1 ZINC000910188201 786520419 /nfs/dbraw/zinc/52/04/19/786520419.db2.gz JOIWUJCRFHQRKT-KWCYVHTRSA-N -2 0 325.405 2.369 20 0 EEADRL CC(C)[C@H]1CC[C@H](C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])CC1 ZINC000910192764 786524551 /nfs/dbraw/zinc/52/45/51/786524551.db2.gz UVKQPBLZKFPONT-XDQVBPFNSA-N -2 0 325.405 2.225 20 0 EEADRL O=C([O-])c1cc(Nc2ccc3nn(CCO)cc3c2)cc(C(=O)[O-])c1 ZINC001176242038 798392669 /nfs/dbraw/zinc/39/26/69/798392669.db2.gz KVWCZZJYLIZGOL-UHFFFAOYSA-N -2 0 341.323 2.169 20 0 EEADRL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cccc(Br)c2[O-])C1 ZINC001589274980 953458127 /nfs/dbraw/zinc/45/81/27/953458127.db2.gz OURCIVIILOLBAF-DTWKUNHWSA-N -2 0 342.189 2.338 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ncccc2Cl)c1 ZINC000231768729 960205206 /nfs/dbraw/zinc/20/52/06/960205206.db2.gz YQUCOQBARXYHTF-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc2c(s1)CCCC2 ZINC000315049871 963850442 /nfs/dbraw/zinc/85/04/42/963850442.db2.gz PCZGONKCRWLSSZ-UHFFFAOYSA-N -2 0 342.398 2.422 20 0 EEADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cccc(C)c2Cl)c1C(=O)[O-] ZINC000832970898 979062449 /nfs/dbraw/zinc/06/24/49/979062449.db2.gz LXFOHMVSBOZNHZ-UHFFFAOYSA-N -2 0 329.765 2.179 20 0 EEADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)c1C ZINC001595028767 979153341 /nfs/dbraw/zinc/15/33/41/979153341.db2.gz PSYHKZIVTZPIED-SECBINFHSA-N -2 0 338.389 2.057 20 0 EEADRL CCC[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC001595536046 981379861 /nfs/dbraw/zinc/37/98/61/981379861.db2.gz NDZYVCQLYNKJCR-CABZTGNLSA-N -2 0 347.820 2.143 20 0 EEADRL CCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001595631514 981840334 /nfs/dbraw/zinc/84/03/34/981840334.db2.gz SDTREQZXKFYQOZ-MRVPVSSYSA-N -2 0 349.355 2.294 20 0 EEADRL CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001595631897 981846320 /nfs/dbraw/zinc/84/63/20/981846320.db2.gz JDQLXPVNYNQUSY-VIFPVBQESA-N -2 0 333.431 2.468 20 0 EEADRL CC[C@@](C)(NC(=O)c1cc(Br)cc(F)c1[O-])C(=O)[O-] ZINC001594841557 982055376 /nfs/dbraw/zinc/05/53/76/982055376.db2.gz APVBGKXUGIXJFM-GFCCVEGCSA-N -2 0 334.141 2.277 20 0 EEADRL CCCn1cc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)cn1 ZINC001596115584 983445157 /nfs/dbraw/zinc/44/51/57/983445157.db2.gz BXBYIJMDQXQSOZ-UHFFFAOYSA-N -2 0 349.412 2.210 20 0 EEADRL CCOc1cccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)n1 ZINC001597161424 986968073 /nfs/dbraw/zinc/96/80/73/986968073.db2.gz DXZLEPTUENADMJ-UHFFFAOYSA-N -2 0 340.332 2.118 20 0 EEADRL CCC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cn2C)cc1 ZINC001594721006 987201993 /nfs/dbraw/zinc/20/19/93/987201993.db2.gz HFODIZCMRHCCCV-UHFFFAOYSA-N -2 0 336.369 2.117 20 0 EEADRL CSc1cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)ccn1 ZINC001599809968 988317832 /nfs/dbraw/zinc/31/78/32/988317832.db2.gz XRCOSMTZDHMRJX-UHFFFAOYSA-N -2 0 342.373 2.442 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)n1 ZINC001597604850 988484243 /nfs/dbraw/zinc/48/42/43/988484243.db2.gz UMHBJLVCKHHDJL-ZDUSSCGKSA-N -2 0 341.367 2.044 20 0 EEADRL CC(C)(CS(=O)(=O)[N-]C(=O)CC(C1CCC1)C1CCC1)C(=O)[O-] ZINC001590798313 990620594 /nfs/dbraw/zinc/62/05/94/990620594.db2.gz RIXOHBYFVFCJIT-UHFFFAOYSA-N -2 0 345.461 2.150 20 0 EEADRL CC(C)C[C@H](CNC(=O)Nc1nc(CCC(=O)[O-])cs1)C(=O)[O-] ZINC001591150951 991895590 /nfs/dbraw/zinc/89/55/90/991895590.db2.gz WQGHKGVBXRMIQS-SECBINFHSA-N -2 0 343.405 2.029 20 0 EEADRL CN(CCCC(=O)[O-])C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC001598474501 992065058 /nfs/dbraw/zinc/06/50/58/992065058.db2.gz AEGRYZYPSSHBBL-UHFFFAOYSA-N -2 0 331.324 2.402 20 0 EEADRL C[C@@H](NC(=O)c1ccc(C(=O)[O-])s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593159876 993988981 /nfs/dbraw/zinc/98/89/81/993988981.db2.gz QPEBWDBUIKDXQC-HRDYMLBCSA-N -2 0 325.386 2.312 20 0 EEADRL CC1(C(=O)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCCC1 ZINC001593755913 996405175 /nfs/dbraw/zinc/40/51/75/996405175.db2.gz ZTYUBMAFDYRLJC-UHFFFAOYSA-N -2 0 347.339 2.048 20 0 EEADRL CON(C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])[C@H](C)CC(=O)[O-] ZINC001599313197 997453229 /nfs/dbraw/zinc/45/32/29/997453229.db2.gz YGITUFZGEZXPCR-SNVBAGLBSA-N -2 0 347.323 2.332 20 0 EEADRL O=C(NCc1nc([O-])cc(=O)[nH]1)c1cc(-c2cccc(Cl)c2)no1 ZINC001470583087 1110508295 /nfs/dbraw/zinc/50/82/95/1110508295.db2.gz OBMNXPVPZLQCOG-UHFFFAOYSA-N -2 0 346.730 2.126 20 0 EEADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000067660037 215177896 /nfs/dbraw/zinc/17/78/96/215177896.db2.gz JENUBBHRSIYIGG-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2cccc(Cl)c2O)cc1C(=O)[O-] ZINC000348883428 539858190 /nfs/dbraw/zinc/85/81/90/539858190.db2.gz CCGMXGBENSIUCM-UHFFFAOYSA-N -2 0 344.776 2.366 20 0 EEADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cnn(CC3CC3)c2)cc1 ZINC000078938879 217152947 /nfs/dbraw/zinc/15/29/47/217152947.db2.gz IJIQQSMVDBAFOD-UHFFFAOYSA-N -2 0 349.412 2.111 20 0 EEADRL CCn1nc(C)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1C ZINC000265991309 248004580 /nfs/dbraw/zinc/00/45/80/248004580.db2.gz ASMGTMLHVPAUEX-UHFFFAOYSA-N -2 0 329.403 2.080 20 0 EEADRL CCn1nc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1C1CC1 ZINC000267416805 256057825 /nfs/dbraw/zinc/05/78/25/256057825.db2.gz JWHGUUQRPRIYLI-UHFFFAOYSA-N -2 0 335.385 2.279 20 0 EEADRL CCc1onc(C)c1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000270426961 256134344 /nfs/dbraw/zinc/13/43/44/256134344.db2.gz NBFNHETYNYHIEJ-UHFFFAOYSA-N -2 0 340.357 2.053 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1OCO2 ZINC000359839476 164181789 /nfs/dbraw/zinc/18/17/89/164181789.db2.gz XNECVUVOBDZGON-UHFFFAOYSA-N -2 0 335.337 2.223 20 0 EEADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cccc3c2OCO3)c1 ZINC000359836937 164181861 /nfs/dbraw/zinc/18/18/61/164181861.db2.gz TYJDLNQGRTZOMY-UHFFFAOYSA-N -2 0 339.300 2.053 20 0 EEADRL CCCc1nc(=NC(=O)c2nn(-c3ccccc3F)cc2[O-])s[n-]1 ZINC000439563829 315085907 /nfs/dbraw/zinc/08/59/07/315085907.db2.gz VZSRCJKVVNSMEJ-UHFFFAOYSA-N -2 0 347.375 2.195 20 0 EEADRL O=C([O-])[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000566311262 319273444 /nfs/dbraw/zinc/27/34/44/319273444.db2.gz BWIBSNVNFAHHGO-ZETCQYMHSA-N -2 0 349.689 2.163 20 0 EEADRL CC(C)c1nc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cn1C ZINC000583978975 324770792 /nfs/dbraw/zinc/77/07/92/324770792.db2.gz UZGTVGIXCOLYTO-UHFFFAOYSA-N -2 0 341.364 2.182 20 0 EEADRL COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000336850053 465051209 /nfs/dbraw/zinc/05/12/09/465051209.db2.gz LXNSSPKEUXCFEE-UHFFFAOYSA-N -2 0 344.776 2.484 20 0 EEADRL Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000047906146 462834831 /nfs/dbraw/zinc/83/48/31/462834831.db2.gz AODDDMIXYSDCJO-UHFFFAOYSA-N -2 0 335.337 2.192 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000014097356 462909702 /nfs/dbraw/zinc/90/97/02/462909702.db2.gz OUIDVPVSVPQFAI-UHFFFAOYSA-N -2 0 335.337 2.192 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)[nH]c32)cc1C(=O)[O-] ZINC000357347152 465968913 /nfs/dbraw/zinc/96/89/13/465968913.db2.gz YZNRSMQLCCYCSC-UHFFFAOYSA-N -2 0 347.352 2.076 20 0 EEADRL Cc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000357545306 466119965 /nfs/dbraw/zinc/11/99/65/466119965.db2.gz OLVXHMBXCVIOLU-UHFFFAOYSA-N -2 0 328.321 2.238 20 0 EEADRL Cc1cnc(N)c(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000350731026 466591194 /nfs/dbraw/zinc/59/11/94/466591194.db2.gz XUNQDIYHFSMKFH-LLVKDONJSA-N -2 0 349.412 2.036 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2OC(F)F)cc1C(=O)[O-] ZINC000319813262 466600396 /nfs/dbraw/zinc/60/03/96/466600396.db2.gz KVXMPKNBIRKLGA-UHFFFAOYSA-N -2 0 346.311 2.126 20 0 EEADRL Cc1cccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)c1C(=O)[O-] ZINC000321976097 466628189 /nfs/dbraw/zinc/62/81/89/466628189.db2.gz IONUNSGOEFQJAQ-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)cc1 ZINC000436783917 467554376 /nfs/dbraw/zinc/55/43/76/467554376.db2.gz VAVXZPPRLAPFQV-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cnoc2C2CC2)sc1C(=O)[O-] ZINC000516257731 468021856 /nfs/dbraw/zinc/02/18/56/468021856.db2.gz OGBJTQAFDWEJHQ-UHFFFAOYSA-N -2 0 328.371 2.421 20 0 EEADRL Cc1onc(N)c1S(=O)(=O)[N-]c1c(C(=O)[O-])cccc1C(C)C ZINC000582549553 468556487 /nfs/dbraw/zinc/55/64/87/468556487.db2.gz FTKBZIQDQVWUBS-UHFFFAOYSA-N -2 0 339.373 2.188 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)s1 ZINC000630422880 469840833 /nfs/dbraw/zinc/84/08/33/469840833.db2.gz IQDLCKRUCLJKOI-NWDGAFQWSA-N -2 0 338.410 2.440 20 0 EEADRL CC(C)(C)CC[C@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)C(=O)[O-] ZINC000647247596 470865935 /nfs/dbraw/zinc/86/59/35/470865935.db2.gz UAXXNBFYYJWOTO-LBPRGKRZSA-N -2 0 347.371 2.039 20 0 EEADRL C[C@@](CN=c1nc(C(F)(F)F)[n-]s1)(C(=O)[O-])c1ccccc1 ZINC000650776989 470964298 /nfs/dbraw/zinc/96/42/98/470964298.db2.gz PIYHAXHPVQCPJS-LBPRGKRZSA-N -2 0 331.319 2.433 20 0 EEADRL CC(C)C[C@H](CNC(=O)N1CCC[C@H](CC(=O)[O-])C1)CC(=O)[O-] ZINC000659415436 471615599 /nfs/dbraw/zinc/61/55/99/471615599.db2.gz KUOJJIMGLNNKRP-OLZOCXBDSA-N -2 0 328.409 2.020 20 0 EEADRL O=C([O-])C[C@@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C1 ZINC000663023797 472331028 /nfs/dbraw/zinc/33/10/28/472331028.db2.gz ZVQRWIDNSGTQRY-NSHDSACASA-N -2 0 347.346 2.044 20 0 EEADRL C[C@@](CNC(=O)[C@H](C(=O)[O-])C1CCCC1)(C(=O)[O-])c1ccccc1 ZINC000663120745 472365265 /nfs/dbraw/zinc/36/52/65/472365265.db2.gz RXAIPSJDEHBEQR-KDOFPFPSSA-N -2 0 333.384 2.036 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)cc(C(=O)[O-])c1 ZINC000507552179 485504076 /nfs/dbraw/zinc/50/40/76/485504076.db2.gz POLZOBOHLUSTRU-UHFFFAOYSA-N -3 0 339.325 2.094 20 0 EEADRL Cc1oncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000768284155 577553172 /nfs/dbraw/zinc/55/31/72/577553172.db2.gz DTMXZIHIUJFJQT-UHFFFAOYSA-N -2 0 334.712 2.275 20 0 EEADRL CCc1noc(C)c1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000754758712 577812231 /nfs/dbraw/zinc/81/22/31/577812231.db2.gz BATCEMJLPMSJOQ-UHFFFAOYSA-N -2 0 346.311 2.323 20 0 EEADRL CC(C)n1cc(S(=O)(=O)[N-]c2ccc(N(C)C(=O)[O-])cc2)cn1 ZINC000736532760 578209761 /nfs/dbraw/zinc/20/97/61/578209761.db2.gz NAYGDVZCDLPWHT-UHFFFAOYSA-N -2 0 338.389 2.379 20 0 EEADRL CCn1nc(C)c([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])c1C ZINC000737309920 578249635 /nfs/dbraw/zinc/24/96/35/578249635.db2.gz NISITJXMKOQVHS-UHFFFAOYSA-N -2 0 341.389 2.229 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)cc1F ZINC000037461805 600052811 /nfs/dbraw/zinc/05/28/11/600052811.db2.gz ZFTULZBEKYFFKE-UHFFFAOYSA-N -2 0 330.362 2.019 20 0 EEADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2n[nH]c3cccc(F)c32)c1 ZINC000833344229 601201282 /nfs/dbraw/zinc/20/12/82/601201282.db2.gz HKVNQBYNAGBETF-UHFFFAOYSA-N -2 0 341.345 2.263 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)cc1[N+](=O)[O-] ZINC000386577764 601357770 /nfs/dbraw/zinc/35/77/70/601357770.db2.gz ROKXXFYMJHIRLL-UHFFFAOYSA-N -2 0 342.354 2.464 20 0 EEADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(N(C)C)cn2)c1C ZINC000832868134 601361799 /nfs/dbraw/zinc/36/17/99/601361799.db2.gz FWMWPLOHDVSNRL-UHFFFAOYSA-N -2 0 349.412 2.263 20 0 EEADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])c1 ZINC000826924836 601386458 /nfs/dbraw/zinc/38/64/58/601386458.db2.gz QJIYQILIIBBDPG-UHFFFAOYSA-N -2 0 329.403 2.100 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2nnc(C(C)C)s2)ccc1C(=O)[O-] ZINC000832904653 601504023 /nfs/dbraw/zinc/50/40/23/601504023.db2.gz WZYKNJRXROKCKF-UHFFFAOYSA-N -2 0 341.414 2.469 20 0 EEADRL C[C@@H]1CC/C(=C/C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000828201218 601546218 /nfs/dbraw/zinc/54/62/18/601546218.db2.gz QINGMTJAMYXMNE-NASPGAHYSA-N -2 0 337.397 2.077 20 0 EEADRL O=C([O-])CC1([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)CCC1 ZINC000899556091 693790478 /nfs/dbraw/zinc/79/04/78/693790478.db2.gz GLLVXFAGHJVSQR-UHFFFAOYSA-N -2 0 339.747 2.294 20 0 EEADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000863956041 1197936402 /nfs/dbraw/zinc/93/64/02/1197936402.db2.gz HRBQPVBBZRZBNE-NSHDSACASA-N -2 0 347.458 2.207 20 0 EEADRL CC(C)(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC000863961564 1197937446 /nfs/dbraw/zinc/93/74/46/1197937446.db2.gz RQPQFEZUACPCHS-LLVKDONJSA-N -2 0 347.820 2.033 20 0 EEADRL Cc1ccc(F)c([N-]S(=O)(=O)c2ncn(C)c2Cl)c1C(=O)[O-] ZINC000090164047 1212294188 /nfs/dbraw/zinc/29/41/88/1212294188.db2.gz CDVILUJCEMOGGU-UHFFFAOYSA-N -2 0 347.755 2.020 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ncccc1OC(F)F ZINC001198746295 1285317083 /nfs/dbraw/zinc/31/70/83/1285317083.db2.gz BXYPXSOEIMPHPQ-UHFFFAOYSA-N -2 0 344.295 2.182 20 0 EEADRL Cc1ncccc1-c1noc(-c2cc(S(=O)(=O)[O-])ccc2[O-])n1 ZINC001215454147 1296909342 /nfs/dbraw/zinc/90/93/42/1296909342.db2.gz LIKOVSYVEQUFCV-UHFFFAOYSA-N -2 0 333.325 2.059 20 0 EEADRL Cc1cncc(-c2noc(-c3cc(S(=O)(=O)[O-])ccc3[O-])n2)c1 ZINC001215454246 1296909976 /nfs/dbraw/zinc/90/99/76/1296909976.db2.gz POVKKBHMYCPMPY-UHFFFAOYSA-N -2 0 333.325 2.059 20 0 EEADRL CC(C)Oc1cc2cc(S(=O)(=O)[O-])ccc2cc1S(=O)(=O)[O-] ZINC001234176198 1304781013 /nfs/dbraw/zinc/78/10/13/1304781013.db2.gz DWKFTKSYGBDKRK-UHFFFAOYSA-N -2 0 346.382 2.120 20 0 EEADRL COC(=O)[C@@H](Oc1ccc(OP(=O)([O-])[O-])cc1)c1ccccc1 ZINC001234341058 1304884690 /nfs/dbraw/zinc/88/46/90/1304884690.db2.gz WNAHUTOJUDTECV-AWEZNQCLSA-N -2 0 338.252 2.451 20 0 EEADRL O=C([O-])c1ccc(-c2cccc3c2NC(=O)[N-]S3(=O)=O)cc1F ZINC001241186660 1309456296 /nfs/dbraw/zinc/45/62/96/1309456296.db2.gz UIMKDFOYLHCSCR-UHFFFAOYSA-N -2 0 336.300 2.015 20 0 EEADRL COC(=O)c1cn2c(cccc2-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242162639 1309623931 /nfs/dbraw/zinc/62/39/31/1309623931.db2.gz ZEAOMVJDGJYYMV-UHFFFAOYSA-N -2 0 340.291 2.184 20 0 EEADRL O=C(NCCOP(=O)([O-])[O-])c1cccc2c1-c1ccccc1C2 ZINC001151388991 1316518784 /nfs/dbraw/zinc/51/87/84/1316518784.db2.gz LKDIMCZIRSOZRD-UHFFFAOYSA-N -2 0 333.280 2.097 20 0 EEADRL Cc1cncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)n1 ZINC001259212289 1319488223 /nfs/dbraw/zinc/48/82/23/1319488223.db2.gz KONWENMQSGLGGK-UHFFFAOYSA-N -2 0 345.739 2.077 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnsc2)c(F)cc1Cl ZINC001259213733 1319488803 /nfs/dbraw/zinc/48/88/03/1319488803.db2.gz JRPDGFYBHAETMZ-UHFFFAOYSA-N -2 0 336.753 2.435 20 0 EEADRL Cc1cccc(CS(=O)(=O)[N-]c2cccc(C(=O)N(C)C)c2[O-])c1 ZINC001259749661 1319660450 /nfs/dbraw/zinc/66/04/50/1319660450.db2.gz KBSRFGVDHFEZDO-UHFFFAOYSA-N -2 0 348.424 2.344 20 0 EEADRL COc1ncc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1Cl ZINC001260184173 1319817847 /nfs/dbraw/zinc/81/78/47/1319817847.db2.gz WINODWLXWMRSSJ-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL O=C([O-])Cc1cccc(NC(=O)c2ccc3oc(=S)[n-]c3c2)n1 ZINC001608786437 1351763108 /nfs/dbraw/zinc/76/31/08/1351763108.db2.gz LAIDIYXCUGEDBD-UHFFFAOYSA-N -2 0 329.337 2.391 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc3c(cn2)CCC3)cc1F ZINC001608913374 1351792375 /nfs/dbraw/zinc/79/23/75/1351792375.db2.gz IYZOTZXZCZUZMW-UHFFFAOYSA-N -2 0 336.344 2.208 20 0 EEADRL CC(C)[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-] ZINC001609684597 1352058831 /nfs/dbraw/zinc/05/88/31/1352058831.db2.gz RVVPHMXMCSHCKN-DGCLKSJQSA-N -2 0 333.450 2.148 20 0 EEADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)NCC3(C(=O)[O-])CC3)n2)cc1 ZINC001609719117 1352067663 /nfs/dbraw/zinc/06/76/63/1352067663.db2.gz VGRSKPSKCYOHKJ-UHFFFAOYSA-N -2 0 343.383 2.296 20 0 EEADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)NC3(C(=O)[O-])CC3)n2)c1 ZINC001609720500 1352068283 /nfs/dbraw/zinc/06/82/83/1352068283.db2.gz QFIMPSUZNCSSKO-UHFFFAOYSA-N -2 0 329.356 2.048 20 0 EEADRL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001609842037 1352098631 /nfs/dbraw/zinc/09/86/31/1352098631.db2.gz ZUBIHTPEZVCOGH-JGVFFNPUSA-N -2 0 342.298 2.238 20 0 EEADRL C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C[C@@H]1C ZINC001609844552 1352099126 /nfs/dbraw/zinc/09/91/26/1352099126.db2.gz HYORPLFDBSDELN-UTLUCORTSA-N -2 0 345.442 2.324 20 0 EEADRL CCC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC001609956279 1352129427 /nfs/dbraw/zinc/12/94/27/1352129427.db2.gz QNBIRCNWJCEBSY-AAEUAGOBSA-N -2 0 333.450 2.292 20 0 EEADRL COc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC001610288133 1352200433 /nfs/dbraw/zinc/20/04/33/1352200433.db2.gz DWPLTYJNDBJQDG-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])c(O)c1 ZINC001610342989 1352208516 /nfs/dbraw/zinc/20/85/16/1352208516.db2.gz DHKYHJBVVJKCHM-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC001610404368 1352217512 /nfs/dbraw/zinc/21/75/12/1352217512.db2.gz ZDCHTRVGQSOVPW-UHFFFAOYSA-N -2 0 341.327 2.073 20 0 EEADRL Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)[O-])cc2)c(C(=O)[O-])c1 ZINC001610511551 1352236076 /nfs/dbraw/zinc/23/60/76/1352236076.db2.gz KYIGFGVWXBGIKW-UHFFFAOYSA-N -2 0 349.364 2.217 20 0 EEADRL Cc1cnn(CC2CC2)c1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001610541581 1352241950 /nfs/dbraw/zinc/24/19/50/1352241950.db2.gz JFODYVHIHNTMJE-UHFFFAOYSA-N -2 0 349.412 2.029 20 0 EEADRL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)c1 ZINC001610796690 1352276056 /nfs/dbraw/zinc/27/60/56/1352276056.db2.gz GRCBREQJKPEYLQ-UHFFFAOYSA-N -2 0 343.364 2.058 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CC=CCC2)cc1Cl ZINC001610839144 1352283363 /nfs/dbraw/zinc/28/33/63/1352283363.db2.gz URCMUEKGCVECJG-VIFPVBQESA-N -2 0 343.788 2.199 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)n[nH]c1C1CC1 ZINC001600009076 1349954611 /nfs/dbraw/zinc/95/46/11/1349954611.db2.gz HVUIOPAKWYQMJF-UHFFFAOYSA-N -2 0 335.385 2.023 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2c3c(nn2C)CCCC3)cc(C(=O)[O-])c1 ZINC001600281728 1350009972 /nfs/dbraw/zinc/00/99/72/1350009972.db2.gz LQYAPOWINCCHNI-UHFFFAOYSA-N -2 0 349.412 2.106 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C3CC3)nn2C)c(C(=O)[O-])s1 ZINC001600282849 1350010620 /nfs/dbraw/zinc/01/06/20/1350010620.db2.gz NKEXYCZDINLBFX-UHFFFAOYSA-N -2 0 341.414 2.166 20 0 EEADRL Cc1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])c2ccccc12 ZINC001600342367 1350024717 /nfs/dbraw/zinc/02/47/17/1350024717.db2.gz RTPCXJAYWJAMOR-RYUDHWBXSA-N -2 0 349.408 2.317 20 0 EEADRL Cc1ccnc([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])c1 ZINC001600600433 1350094386 /nfs/dbraw/zinc/09/43/86/1350094386.db2.gz JFPQFDXJJGFJSN-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cccc2c1CCO2 ZINC001600654301 1350108107 /nfs/dbraw/zinc/10/81/07/1350108107.db2.gz CDRFREQIJHYCAM-UHFFFAOYSA-N -2 0 339.394 2.490 20 0 EEADRL Cc1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)s1 ZINC001600741456 1350125715 /nfs/dbraw/zinc/12/57/15/1350125715.db2.gz FXIDOCQYNNWVKX-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL Cc1oc(C(=O)[O-])cc1C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC001600824895 1350144930 /nfs/dbraw/zinc/14/49/30/1350144930.db2.gz AGYAQCIXKWYTGD-AWEZNQCLSA-N -2 0 329.308 2.110 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2nccc(C3CC3)n2)c1C(=O)[O-] ZINC001600838903 1350148538 /nfs/dbraw/zinc/14/85/38/1350148538.db2.gz VNEOPYJOUCSPLG-UHFFFAOYSA-N -2 0 337.357 2.063 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cnn(CC(C)C)c2)c1C(=O)[O-] ZINC001600838954 1350148728 /nfs/dbraw/zinc/14/87/28/1350148728.db2.gz XFGGZXZHIVUMST-UHFFFAOYSA-N -2 0 341.389 2.248 20 0 EEADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)CC1CCCCC1 ZINC001601253847 1350242447 /nfs/dbraw/zinc/24/24/47/1350242447.db2.gz LGUJZZJSTFDZQS-UHFFFAOYSA-N -2 0 331.415 2.222 20 0 EEADRL O=C([O-])[C@H](Cc1ccccc1O)NC(=O)c1cccc(Cl)c1[O-] ZINC001601423919 1350280818 /nfs/dbraw/zinc/28/08/18/1350280818.db2.gz UFZXZSQHCCBJFH-LBPRGKRZSA-N -2 0 335.743 2.177 20 0 EEADRL O=C([O-])CN(CCc1ccccc1)C(=O)c1c([O-])cc(F)cc1F ZINC001602055473 1350428199 /nfs/dbraw/zinc/42/81/99/1350428199.db2.gz CKROFVRPVCUEHJ-UHFFFAOYSA-N -2 0 335.306 2.440 20 0 EEADRL O=C([O-])c1cc(C(=O)[N-]c2nc(-c3ccc(F)cc3)ns2)on1 ZINC001602249382 1350476617 /nfs/dbraw/zinc/47/66/17/1350476617.db2.gz RWWXPQPQWXKYHM-UHFFFAOYSA-N -2 0 334.288 2.283 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccnn2CC2CCC2)s1 ZINC001602385609 1350507798 /nfs/dbraw/zinc/50/77/98/1350507798.db2.gz PXPFLWRRGNCJOG-UHFFFAOYSA-N -2 0 341.414 2.244 20 0 EEADRL O=C([O-])c1nscc1[N-]S(=O)(=O)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001602587196 1350552000 /nfs/dbraw/zinc/55/20/00/1350552000.db2.gz WQNYHAVAIGBTBN-GXSJLCMTSA-N -2 0 342.373 2.278 20 0 EEADRL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@H](C(=O)[O-])C2CCCC2)C1 ZINC001603249553 1350671841 /nfs/dbraw/zinc/67/18/41/1350671841.db2.gz BEEUXFVKHPJJEM-CHWSQXEVSA-N -2 0 325.405 2.227 20 0 EEADRL CC(C)(C)Cc1nnc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)o1 ZINC001603339247 1350690096 /nfs/dbraw/zinc/69/00/96/1350690096.db2.gz YLOYIQVZGUUYGS-UHFFFAOYSA-N -2 0 345.402 2.219 20 0 EEADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)C1 ZINC001604652698 1350977661 /nfs/dbraw/zinc/97/76/61/1350977661.db2.gz PYLIGNHRCOLQSQ-PWSUYJOCSA-N -2 0 349.387 2.025 20 0 EEADRL C[C@H]1CN(C(=O)Nc2cccc(CCC(=O)[O-])c2)CC[C@@H]1C(=O)[O-] ZINC001604776033 1351000856 /nfs/dbraw/zinc/00/08/56/1351000856.db2.gz FFSTYNRPUVUSEQ-FZMZJTMJSA-N -2 0 334.372 2.278 20 0 EEADRL CCC(CC)[C@@H](C)C(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001605011843 1351053397 /nfs/dbraw/zinc/05/33/97/1351053397.db2.gz WLCLMSLVHJWFQT-MHZQBYEGSA-N -2 0 325.405 2.083 20 0 EEADRL CCCC(CCC)C(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001605211914 1351105103 /nfs/dbraw/zinc/10/51/03/1351105103.db2.gz RMJMXRTZBZRINU-JZLYGMAVSA-N -2 0 325.405 2.227 20 0 EEADRL Cc1cc(C2CC2)nc([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)n1 ZINC001607634988 1351530103 /nfs/dbraw/zinc/53/01/03/1351530103.db2.gz WCAKSPPRTJYDGV-UHFFFAOYSA-N -2 0 347.396 2.303 20 0 EEADRL Cc1nc(-c2ccc(C(=O)N(CCC(=O)[O-])CC(=O)[O-])cc2)cs1 ZINC001607941100 1351589631 /nfs/dbraw/zinc/58/96/31/1351589631.db2.gz OVENSTXCJPOWTH-UHFFFAOYSA-N -2 0 348.380 2.120 20 0 EEADRL Cc1noc([N-]S(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)c1C ZINC001608027456 1351609718 /nfs/dbraw/zinc/60/97/18/1351609718.db2.gz TZTCCHHRRHBHIS-UHFFFAOYSA-N -2 0 338.385 2.454 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)sc1C ZINC000042301826 1352528128 /nfs/dbraw/zinc/52/81/28/1352528128.db2.gz TYZIEZJCRPOLMS-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL Cc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c(F)c1 ZINC001195202342 1368510125 /nfs/dbraw/zinc/51/01/25/1368510125.db2.gz YLYVQYOVXZBNGO-UHFFFAOYSA-N -2 0 346.286 2.306 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[O-])cc2)c1F ZINC001200798760 1373116136 /nfs/dbraw/zinc/11/61/36/1373116136.db2.gz NYMPCZVXEAKFHF-UHFFFAOYSA-N -2 0 345.373 2.182 20 0 EEADRL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)c1 ZINC000906987530 784302299 /nfs/dbraw/zinc/30/22/99/784302299.db2.gz ROVKATMSQJSICZ-QMMMGPOBSA-N -2 0 329.321 2.066 20 0 EEADRL Cc1cccc(CO[N-]C(=O)[C@]2(C(=O)[O-])C[C@H]2c2ccccc2)n1 ZINC000907848992 784904804 /nfs/dbraw/zinc/90/48/04/784904804.db2.gz AFVUGKBKZFOZTP-YJBOKZPZSA-N -2 0 326.352 2.196 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)CC[C@@H]2CCc3ccccc32)C1 ZINC000910182112 786514354 /nfs/dbraw/zinc/51/43/54/786514354.db2.gz ICGJVJNZGUOOLC-SQWLQELKSA-N -2 0 345.395 2.273 20 0 EEADRL CCn1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c2ccccc21 ZINC000823584099 798745106 /nfs/dbraw/zinc/74/51/06/798745106.db2.gz YXSNQRBSKWIOHG-XHDPSFHLSA-N -2 0 344.367 2.051 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cccn3ccnc23)cc1C(=O)[O-] ZINC001184664225 802124881 /nfs/dbraw/zinc/12/48/81/802124881.db2.gz OVYHSGDFGOBMEO-UHFFFAOYSA-N -2 0 331.353 2.142 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2nsc3ncccc23)cc1C(=O)[O-] ZINC001184667297 802125875 /nfs/dbraw/zinc/12/58/75/802125875.db2.gz IABQJXCYJAGTRQ-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL COc1c(O)cccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184703982 802138447 /nfs/dbraw/zinc/13/84/47/802138447.db2.gz QOCHVCTUOBEVPU-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1(CC(=O)[O-])CCC1 ZINC000863962029 955927097 /nfs/dbraw/zinc/92/70/97/955927097.db2.gz DTHZWPNIRQVQFY-CYBMUJFWSA-N -2 0 339.413 2.229 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1F ZINC000037290587 957267875 /nfs/dbraw/zinc/26/78/75/957267875.db2.gz JKPRMESXFRKDEI-UHFFFAOYSA-N -2 0 331.346 2.395 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cccc3n[nH]cc32)c1 ZINC000079725617 957761212 /nfs/dbraw/zinc/76/12/12/957761212.db2.gz BJZNIZGCXPDSOR-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000126859905 958604390 /nfs/dbraw/zinc/60/43/90/958604390.db2.gz NWBOFAQVTZNICG-UHFFFAOYSA-N -2 0 340.332 2.499 20 0 EEADRL CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198782359 960586162 /nfs/dbraw/zinc/58/61/62/960586162.db2.gz ILEWSYJYQLJNHP-UHFFFAOYSA-N -2 0 349.364 2.362 20 0 EEADRL CC(C)Oc1c(NC(=O)N(C)C[C@H](C)C(=O)[O-])cccc1C(=O)[O-] ZINC001591741552 975755869 /nfs/dbraw/zinc/75/58/69/975755869.db2.gz LQGJBGJTPPKCAH-JTQLQIEISA-N -2 0 338.360 2.356 20 0 EEADRL CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])n2)cc1 ZINC001591791171 975981975 /nfs/dbraw/zinc/98/19/75/975981975.db2.gz NFNIMJQFWWGTCL-UHFFFAOYSA-N -2 0 336.369 2.368 20 0 EEADRL C[C@H](CS(=O)(=O)[N-][C@H](c1cccc(Cl)c1)C(F)F)C(=O)[O-] ZINC001592808715 979484058 /nfs/dbraw/zinc/48/40/58/979484058.db2.gz URKOBGXUNCPNLA-GMSGAONNSA-N -2 0 341.763 2.286 20 0 EEADRL C[C@H](CS(=O)(=O)[N-][C@@H](c1cccc(Cl)c1)C(F)F)C(=O)[O-] ZINC001592808718 979485144 /nfs/dbraw/zinc/48/51/44/979485144.db2.gz URKOBGXUNCPNLA-XCBNKYQSSA-N -2 0 341.763 2.286 20 0 EEADRL CCCCc1nnc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)o1 ZINC001595799541 982614367 /nfs/dbraw/zinc/61/43/67/982614367.db2.gz XKIVHLUXBNMANB-UHFFFAOYSA-N -2 0 339.373 2.220 20 0 EEADRL C[C@H](C(=O)[O-])c1cccc([N-]S(=O)(=O)c2cnc(Cl)n2C)c1 ZINC001589540172 987240901 /nfs/dbraw/zinc/24/09/01/987240901.db2.gz RQCJITNDVARUKX-QMMMGPOBSA-N -2 0 343.792 2.062 20 0 EEADRL CCc1ccsc1C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001597626368 988576655 /nfs/dbraw/zinc/57/66/55/988576655.db2.gz PRMSOAACOXMTBO-UHFFFAOYSA-N -2 0 343.382 2.029 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C)c1C(F)F ZINC001597790786 989315516 /nfs/dbraw/zinc/31/55/16/989315516.db2.gz JOFWEAZDQAJXQN-UHFFFAOYSA-N -2 0 349.315 2.012 20 0 EEADRL CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC001591423136 992507403 /nfs/dbraw/zinc/50/74/03/992507403.db2.gz GKXONULUPTWGOM-LBPRGKRZSA-N -2 0 349.412 2.195 20 0 EEADRL CC(C)C[C@H](CNC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)CC(=O)[O-] ZINC001591448259 992550773 /nfs/dbraw/zinc/55/07/73/992550773.db2.gz GKRIBTQPMKBRQD-QWHCGFSZSA-N -2 0 340.420 2.020 20 0 EEADRL CN(Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)Cc1n[n-]c(=O)o1 ZINC001598534084 992828078 /nfs/dbraw/zinc/82/80/78/992828078.db2.gz SKHQHKGCTILTKH-UHFFFAOYSA-N -2 0 346.368 2.229 20 0 EEADRL COCc1ccnc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1 ZINC001599296562 997154544 /nfs/dbraw/zinc/15/45/44/997154544.db2.gz MUPXNYLROHLGBT-UHFFFAOYSA-N -2 0 336.369 2.035 20 0 EEADRL COc1cc(/C=C\c2ccc(C(=O)[O-])cn2)ccc1OCC(=O)[O-] ZINC001599399604 997190583 /nfs/dbraw/zinc/19/05/83/997190583.db2.gz JEYRHIZWASNFEE-DJWKRKHSSA-N -2 0 329.308 2.422 20 0 EEADRL CON(C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])[C@@H](C)CC(=O)[O-] ZINC001599313195 997451506 /nfs/dbraw/zinc/45/15/06/997451506.db2.gz YGITUFZGEZXPCR-JTQLQIEISA-N -2 0 347.323 2.332 20 0 EEADRL COc1cc(F)cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1 ZINC001599425974 997676691 /nfs/dbraw/zinc/67/66/91/997676691.db2.gz UTSBWXDAFJGWDO-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL Cc1[n-]n([C@H](C)CCc2ccc3c(c2)OCO3)c(=O)c1CC(=O)[O-] ZINC001594115086 998247328 /nfs/dbraw/zinc/24/73/28/998247328.db2.gz YENLTTUQTABGNQ-MFKMUULPSA-N -2 0 332.356 2.045 20 0 EEADRL CO[C@@H](CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccn1)C1CCCCC1 ZINC001599055437 999226285 /nfs/dbraw/zinc/22/62/85/999226285.db2.gz GGAWOGYTXQLSGP-ZDUSSCGKSA-N -2 0 342.417 2.117 20 0 EEADRL O=C([O-])[C@@H](C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)C1CCCC1 ZINC001549304331 1121197187 /nfs/dbraw/zinc/19/71/87/1121197187.db2.gz RNXMZYPCSMKIAF-BZUAXINKSA-N -2 0 345.395 2.204 20 0 EEADRL O=C([O-])c1ccc(CNC(=O)c2nn(-c3ccccc3)cc2[O-])cc1 ZINC000238140697 160228728 /nfs/dbraw/zinc/22/87/28/160228728.db2.gz PJRFWZWOVJZYNI-UHFFFAOYSA-N -2 0 337.335 2.206 20 0 EEADRL CCc1cc(O)ccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000360585401 164345342 /nfs/dbraw/zinc/34/53/42/164345342.db2.gz XLXFNMLOXMNBRK-UHFFFAOYSA-N -2 0 340.339 2.265 20 0 EEADRL COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cc(F)cc(Cl)c1[O-] ZINC000288261636 275040196 /nfs/dbraw/zinc/04/01/96/275040196.db2.gz PSTFKEQXWTUADX-UHFFFAOYSA-N -2 0 339.772 2.126 20 0 EEADRL COc1ccsc1S(=O)(=O)N[C@H]1CCCC[C@H]1CCC(=O)[O-] ZINC000297353150 294219833 /nfs/dbraw/zinc/21/98/33/294219833.db2.gz ZGXSNZCTZPBPQV-QWRGUYRKSA-N -2 0 347.458 2.459 20 0 EEADRL CC(C)C[C@H](C[N-]S(=O)(=O)c1c(F)cccc1F)CC(=O)[O-] ZINC000315862705 311590050 /nfs/dbraw/zinc/59/00/50/311590050.db2.gz HATNLYXFINQXRT-JTQLQIEISA-N -2 0 335.372 2.380 20 0 EEADRL C[C@H]1CCCN(C(=O)c2nn(-c3ccccc3F)cc2[O-])[C@H]1C(=O)[O-] ZINC000518755503 316743669 /nfs/dbraw/zinc/74/36/69/316743669.db2.gz AMSUXXKXQKKVBK-ZUZCIYMTSA-N -2 0 347.346 2.042 20 0 EEADRL CCn1nccc1S(=O)(=O)[N-]c1cc(Cl)ccc1C(=O)[O-] ZINC000548198203 318364530 /nfs/dbraw/zinc/36/45/30/318364530.db2.gz CVZJYSAZRSQJES-UHFFFAOYSA-N -2 0 329.765 2.055 20 0 EEADRL CC(C)c1nc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cn1C ZINC000563602623 319028611 /nfs/dbraw/zinc/02/86/11/319028611.db2.gz QHARPBMUSKIPHR-UHFFFAOYSA-N -2 0 341.364 2.182 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)cc1C(=O)[O-] ZINC000336877877 465071170 /nfs/dbraw/zinc/07/11/70/465071170.db2.gz YLKJOGWLLGGWHP-UHFFFAOYSA-N -2 0 347.352 2.179 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000013028714 462883570 /nfs/dbraw/zinc/88/35/70/462883570.db2.gz CVIMCSMDZNBWTC-UHFFFAOYSA-N -2 0 349.364 2.121 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)cn1 ZINC000134619222 463063338 /nfs/dbraw/zinc/06/33/38/463063338.db2.gz XROCXWFRHSIBFH-UHFFFAOYSA-N -2 0 337.401 2.111 20 0 EEADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)c1 ZINC000032595448 463383341 /nfs/dbraw/zinc/38/33/41/463383341.db2.gz KUOVZFGHXCVITI-UHFFFAOYSA-N -2 0 349.393 2.433 20 0 EEADRL CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000057125736 463455016 /nfs/dbraw/zinc/45/50/16/463455016.db2.gz ZWXBRJNRCRIDCM-UHFFFAOYSA-N -2 0 346.364 2.456 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccnc1OC(C)C ZINC000266746744 464807442 /nfs/dbraw/zinc/80/74/42/464807442.db2.gz BCHNYSXUMMMMMU-UHFFFAOYSA-N -2 0 340.357 2.269 20 0 EEADRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000314397288 466548948 /nfs/dbraw/zinc/54/89/48/466548948.db2.gz UATCYDJYOFSGLJ-UHFFFAOYSA-N -2 0 344.776 2.186 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c(OC)c1 ZINC000321263712 466620211 /nfs/dbraw/zinc/62/02/11/466620211.db2.gz ULFMIVBMFKSSBS-UHFFFAOYSA-N -2 0 341.341 2.104 20 0 EEADRL Cc1cc(C(=O)N2CCc3cccc(F)c32)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000428399873 467229428 /nfs/dbraw/zinc/22/94/28/467229428.db2.gz BSTYTAVFGDGJSE-UHFFFAOYSA-N -2 0 340.314 2.086 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cnn(CC3CC3)c2)sc1C(=O)[O-] ZINC000608343522 469804809 /nfs/dbraw/zinc/80/48/09/469804809.db2.gz CVSQMHXGMFCVST-UHFFFAOYSA-N -2 0 341.414 2.162 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1n[nH]c2ccccc21 ZINC000738546342 576568764 /nfs/dbraw/zinc/56/87/64/576568764.db2.gz VBPBVHPALRJWGT-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL COc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000759170052 577638370 /nfs/dbraw/zinc/63/83/70/577638370.db2.gz XRLIBFWESVSYRZ-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL CC(C)c1nc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])c(F)c2)c[nH]1 ZINC000747617868 577946955 /nfs/dbraw/zinc/94/69/55/577946955.db2.gz VYHGGZIPSFYDHF-UHFFFAOYSA-N -2 0 345.327 2.310 20 0 EEADRL Cc1noc(C)c1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000748691871 577965830 /nfs/dbraw/zinc/96/58/30/577965830.db2.gz XJHSTGDAACLQTG-UHFFFAOYSA-N -2 0 330.749 2.444 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)c1C(=O)[O-] ZINC000738968861 578033078 /nfs/dbraw/zinc/03/30/78/578033078.db2.gz FBLFCZRQDWGBRI-UHFFFAOYSA-N -2 0 337.357 2.063 20 0 EEADRL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])s1 ZINC000736722238 578220204 /nfs/dbraw/zinc/22/02/04/578220204.db2.gz BLIJFAODLVMUOY-VIFPVBQESA-N -2 0 339.394 2.267 20 0 EEADRL CC[C@H](CC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])C(C)C ZINC000736893297 578228392 /nfs/dbraw/zinc/22/83/92/578228392.db2.gz WMNOCHFGZHBYKV-SECBINFHSA-N -2 0 333.431 2.324 20 0 EEADRL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)C1CCCC1 ZINC000826008160 601141994 /nfs/dbraw/zinc/14/19/94/601141994.db2.gz DZZWGQQWPMKLLS-MRVPVSSYSA-N -2 0 331.415 2.078 20 0 EEADRL CCCCC[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000829339140 601404741 /nfs/dbraw/zinc/40/47/41/601404741.db2.gz DMMGPBYRZMTLFG-LLVKDONJSA-N -2 0 339.335 2.416 20 0 EEADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CC[C@@H](C(=O)[O-])C3)n2)c1 ZINC000817985874 601756233 /nfs/dbraw/zinc/75/62/33/601756233.db2.gz FUWVGHYHXXNTBT-CYBMUJFWSA-N -2 0 343.383 2.248 20 0 EEADRL Cn1cc([N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1C(=O)[O-] ZINC000833050925 601784875 /nfs/dbraw/zinc/78/48/75/601784875.db2.gz OXLAUDQBLJCXKE-UHFFFAOYSA-N -2 0 332.740 2.317 20 0 EEADRL CC(C)Oc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000827058528 601835610 /nfs/dbraw/zinc/83/56/10/601835610.db2.gz INICVCADQKPMRX-UHFFFAOYSA-N -2 0 342.398 2.429 20 0 EEADRL CC(C)c1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n[nH]1 ZINC000388258724 601850731 /nfs/dbraw/zinc/85/07/31/601850731.db2.gz ASFWXKXTKUPNHK-UHFFFAOYSA-N -2 0 327.337 2.171 20 0 EEADRL COc1ccsc1S(=O)(=O)[N-]c1ccc(OCC(=O)[O-])cc1 ZINC000832642972 602113312 /nfs/dbraw/zinc/11/33/12/602113312.db2.gz MARUQPODUSGCHM-UHFFFAOYSA-N -2 0 343.382 2.021 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2nc3c(cccc3C(=O)[O-])[nH]2)s1 ZINC000833751389 604625412 /nfs/dbraw/zinc/62/54/12/604625412.db2.gz WHGBFGPSSJLCLT-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL CC(C)Cc1cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)n[nH]1 ZINC000833491216 605166515 /nfs/dbraw/zinc/16/65/15/605166515.db2.gz MNYKQHRKSSDNBQ-UHFFFAOYSA-N -2 0 341.364 2.246 20 0 EEADRL CS(=O)(=O)[N-]c1ccccc1C(=O)OCc1ccccc1C(=O)[O-] ZINC000833737204 605495015 /nfs/dbraw/zinc/49/50/15/605495015.db2.gz DUXJYHJKEHUZMF-UHFFFAOYSA-N -2 0 349.364 2.113 20 0 EEADRL O=C([O-])/C=C/c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000012526216 1195508529 /nfs/dbraw/zinc/50/85/29/1195508529.db2.gz LLHLBRWBRCFWEK-XCVCLJGOSA-N -2 0 347.348 2.283 20 0 EEADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cccc3c2OCC3)cc1 ZINC001192141514 1281842631 /nfs/dbraw/zinc/84/26/31/1281842631.db2.gz VBEFPANFVXIINS-UHFFFAOYSA-N -2 0 347.392 2.440 20 0 EEADRL CCOC(=O)c1[nH]cnc1NC(=O)c1cc(Cl)nc(Cl)c1[O-] ZINC001193084228 1282303716 /nfs/dbraw/zinc/30/37/16/1282303716.db2.gz QWHPAQZKBXJASK-UHFFFAOYSA-N -2 0 345.142 2.246 20 0 EEADRL CC(C)c1nc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc(N(C)C)n1 ZINC001242159296 1309621923 /nfs/dbraw/zinc/62/19/23/1309621923.db2.gz LCMKOJMEFUTDTF-UHFFFAOYSA-N -2 0 330.344 2.124 20 0 EEADRL Cn1cnc(S(=O)(=O)[N-]c2ccc(Br)cc2[S-])c1 ZINC001259000771 1319408898 /nfs/dbraw/zinc/40/88/98/1319408898.db2.gz RLOWJTLLBSLXLI-UHFFFAOYSA-N -2 0 348.247 2.272 20 0 EEADRL Cc1nccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)n1 ZINC001259213060 1319488023 /nfs/dbraw/zinc/48/80/23/1319488023.db2.gz UEPRYSBFBHYUKX-UHFFFAOYSA-N -2 0 345.739 2.077 20 0 EEADRL Cc1ccsc1S(=O)(=O)[N-]c1cccc(S(=O)(=O)[O-])c1 ZINC001260067659 1319787621 /nfs/dbraw/zinc/78/76/21/1319787621.db2.gz WLWUAKKZDXKELX-UHFFFAOYSA-N -2 0 333.412 2.104 20 0 EEADRL O=C([O-])c1cccc2[nH]c(NC(=O)c3s[n-]c(=O)c3Cl)nc21 ZINC001608526055 1351710034 /nfs/dbraw/zinc/71/00/34/1351710034.db2.gz LNAQEVBRZVTSNM-UHFFFAOYSA-N -2 0 338.732 2.329 20 0 EEADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)NC2(C3CC3)CC2)c1F ZINC001602267111 1350481618 /nfs/dbraw/zinc/48/16/18/1350481618.db2.gz UPSDMVIFQBQPPN-UHFFFAOYSA-N -2 0 333.768 2.398 20 0 EEADRL O=C([O-])c1ccc(O)cc1[N-]S(=O)(=O)c1cccc2ncccc21 ZINC001602388537 1350508754 /nfs/dbraw/zinc/50/87/54/1350508754.db2.gz MPSLOZWSPCSWNC-UHFFFAOYSA-N -2 0 344.348 2.439 20 0 EEADRL CCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC001605806336 1351225847 /nfs/dbraw/zinc/22/58/47/1351225847.db2.gz PWEMXVLYQSKLDW-UHFFFAOYSA-N -2 0 339.394 2.127 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)oc1C ZINC001607660988 1351534858 /nfs/dbraw/zinc/53/48/58/1351534858.db2.gz HZXUYDTWTCZHNG-UHFFFAOYSA-N -2 0 328.321 2.238 20 0 EEADRL O=C([O-])C1CC2(C1)CN(c1ncccc1C(F)(F)F)C[C@@H]2C(=O)[O-] ZINC001608611561 1351725874 /nfs/dbraw/zinc/72/58/74/1351725874.db2.gz SYGALQPFNIBQMX-MHMQJKDYSA-N -2 0 344.289 2.102 20 0 EEADRL O=C([O-])[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)Nc1ccc(F)c(Cl)c1 ZINC001608632421 1351730008 /nfs/dbraw/zinc/73/00/08/1351730008.db2.gz SGDJENFJJCBGHG-WRWORJQWSA-N -2 0 344.726 2.261 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])o1 ZINC001608913321 1351792233 /nfs/dbraw/zinc/79/22/33/1351792233.db2.gz BAFGMCULABJSEC-UHFFFAOYSA-N -3 0 345.716 2.130 20 0 EEADRL O=C([O-])c1cccc(CC(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])c1 ZINC001608930431 1351797249 /nfs/dbraw/zinc/79/72/49/1351797249.db2.gz ZPZYWRLQFJMRJU-QGZVFWFLSA-N -2 0 339.347 2.138 20 0 EEADRL O=C([O-])c1cnc([N-]S(=O)(=O)c2csc3ccccc32)cn1 ZINC001608978473 1351807155 /nfs/dbraw/zinc/80/71/55/1351807155.db2.gz ZUVHIQIBOXMKNL-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL O=C([O-])c1cncc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)c1 ZINC001608982874 1351808011 /nfs/dbraw/zinc/80/80/11/1351808011.db2.gz CLINQCQBBHFEAI-UHFFFAOYSA-N -2 0 345.336 2.236 20 0 EEADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cccc2ccsc21 ZINC001609638871 1352048046 /nfs/dbraw/zinc/04/80/46/1352048046.db2.gz NLHVAHMGASWLAR-RKDXNWHRSA-N -2 0 341.410 2.070 20 0 EEADRL CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC001609629259 1352045460 /nfs/dbraw/zinc/04/54/60/1352045460.db2.gz BIPCCGUJKQJYSF-UHFFFAOYSA-N -2 0 341.366 2.155 20 0 EEADRL CCC[C@H](C(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1)C(C)C ZINC001609949710 1352127749 /nfs/dbraw/zinc/12/77/49/1352127749.db2.gz FBGCHWJOBOFKPG-ZDUSSCGKSA-N -2 0 342.417 2.230 20 0 EEADRL CN(C)c1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccs1 ZINC001610105555 1352162693 /nfs/dbraw/zinc/16/26/93/1352162693.db2.gz YBIUKONLSYHJOD-UHFFFAOYSA-N -2 0 326.399 2.313 20 0 EEADRL Cc1ccc(C2CC2)c(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])c1 ZINC001610497336 1352233522 /nfs/dbraw/zinc/23/35/22/1352233522.db2.gz LYEOCYANMGYKJM-MNOVXSKESA-N -2 0 339.413 2.041 20 0 EEADRL Cc1[nH]nc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)c1C ZINC001610550559 1352243048 /nfs/dbraw/zinc/24/30/48/1352243048.db2.gz INLYABJOJOAGOD-UHFFFAOYSA-N -2 0 343.792 2.487 20 0 EEADRL O=C([O-])c1c(F)ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1F ZINC001610807270 1352278214 /nfs/dbraw/zinc/27/82/14/1352278214.db2.gz TUNXAAVRFJRYFF-JGVFFNPUSA-N -2 0 325.267 2.269 20 0 EEADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cccc2c1OCO2 ZINC001610806770 1352278402 /nfs/dbraw/zinc/27/84/02/1352278402.db2.gz KWLOWKBOFWZQBW-UHFFFAOYSA-N -2 0 339.300 2.053 20 0 EEADRL CCn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)n1 ZINC001597911103 1349933409 /nfs/dbraw/zinc/93/34/09/1349933409.db2.gz HAGRBKDCBSVEBJ-UHFFFAOYSA-N -2 0 343.792 2.364 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc(C(=O)[O-])c1 ZINC001600283938 1350010743 /nfs/dbraw/zinc/01/07/43/1350010743.db2.gz FBWMCHXOGQTDMR-UHFFFAOYSA-N -3 0 341.366 2.254 20 0 EEADRL Cc1ccc([C@H](C)NC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1 ZINC001600368651 1350031596 /nfs/dbraw/zinc/03/15/96/1350031596.db2.gz PPOGUXIQQYLRMN-FPMFFAJLSA-N -2 0 334.372 2.015 20 0 EEADRL Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001600764894 1350130746 /nfs/dbraw/zinc/13/07/46/1350130746.db2.gz SRMBEOJCOOMOKV-UHFFFAOYSA-N -2 0 347.352 2.273 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2cnc(C(C)(C)C)nc2)cc1C(=O)[O-] ZINC001600856566 1350153408 /nfs/dbraw/zinc/15/34/08/1350153408.db2.gz FCNHCIBOWAHRPH-UHFFFAOYSA-N -2 0 339.373 2.175 20 0 EEADRL O=C([O-])c1ccc(F)c(NC(=O)C[C@@]2(C(=O)[O-])CCSC2)c1 ZINC001601245649 1350240788 /nfs/dbraw/zinc/24/07/88/1350240788.db2.gz UVCICKRAWGXNQU-AWEZNQCLSA-N -2 0 327.333 2.060 20 0 EEADRL O=C([O-])[C@@H]1CCN(C(=O)c2cccc(F)c2[O-])[C@H]([C@@H]2CCCO2)C1 ZINC001601827596 1350374506 /nfs/dbraw/zinc/37/45/06/1350374506.db2.gz PKLMXHWQEATTTB-SWHYSGLUSA-N -2 0 337.347 2.016 20 0 EEADRL O=C([O-])/C=C\c1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)co1 ZINC001601870837 1350385944 /nfs/dbraw/zinc/38/59/44/1350385944.db2.gz DXEATHONMRPLSF-CYSUXKILSA-N -2 0 347.367 2.483 20 0 EEADRL O=C([O-])CCC(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001601970769 1350408254 /nfs/dbraw/zinc/40/82/54/1350408254.db2.gz RXTOJFOSKYZICQ-OAHLLOKOSA-N -2 0 329.352 2.064 20 0 EEADRL O=C([O-])CCCNC(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001601991510 1350412772 /nfs/dbraw/zinc/41/27/72/1350412772.db2.gz TXOHLFYICOJDFL-LLVKDONJSA-N -2 0 348.277 2.152 20 0 EEADRL O=C([O-])CCc1ccc(NC(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC001602039852 1350424271 /nfs/dbraw/zinc/42/42/71/1350424271.db2.gz OACWMHSAVYHHQL-UHFFFAOYSA-N -2 0 334.372 2.469 20 0 EEADRL O=C([O-])c1ccc(NS(=O)(=O)c2ccccc2C(=O)[O-])cc1F ZINC001602385281 1350507786 /nfs/dbraw/zinc/50/77/86/1350507786.db2.gz CTGJGVLBEMAZJK-UHFFFAOYSA-N -2 0 339.300 2.023 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)N[C@H]2CCSc3ccccc32)c1 ZINC001602557008 1350545267 /nfs/dbraw/zinc/54/52/67/1350545267.db2.gz OHCRPYSWWNFSRF-NSHDSACASA-N -2 0 339.394 2.493 20 0 EEADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)C[C@@H]1CCCCC1(C)C ZINC001603186644 1350658269 /nfs/dbraw/zinc/65/82/69/1350658269.db2.gz AOVQITZKQYTOBM-TUAOUCFPSA-N -2 0 333.450 2.148 20 0 EEADRL C[C@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])[C@H](C(=O)[O-])C1 ZINC001604748918 1350996614 /nfs/dbraw/zinc/99/66/14/1350996614.db2.gz JJOSUWMPTKWARW-GWCFXTLKSA-N -2 0 347.346 2.042 20 0 EEADRL CC[C@](C)(NC(=O)c1nn(-c2cc(C)ccc2F)cc1[O-])C(=O)[O-] ZINC001604913320 1351030800 /nfs/dbraw/zinc/03/08/00/1351030800.db2.gz SNHTXUDAJUZJJG-INIZCTEOSA-N -2 0 335.335 2.009 20 0 EEADRL COCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(C)s1 ZINC001606955397 1351383562 /nfs/dbraw/zinc/38/35/62/1351383562.db2.gz CBZABDSQMDMOCM-UHFFFAOYSA-N -2 0 342.398 2.097 20 0 EEADRL COc1cc(C(=O)[O-])ccc1-n1nc(C)c(C[C@@H](C)C(=O)[O-])c1C ZINC001607109623 1351421990 /nfs/dbraw/zinc/42/19/90/1351421990.db2.gz DUHWLGJDXUPNDW-SECBINFHSA-N -2 0 332.356 2.459 20 0 EEADRL Cc1c(NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-])ccc(F)c1C(=O)[O-] ZINC001607538004 1351512218 /nfs/dbraw/zinc/51/22/18/1351512218.db2.gz FVYFXLZCPYSLAA-HTQZYQBOSA-N -2 0 329.349 2.366 20 0 EEADRL Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)OCO2 ZINC001607711649 1351544282 /nfs/dbraw/zinc/54/42/82/1351544282.db2.gz DBYSFENGXIWPCX-UHFFFAOYSA-N -2 0 341.366 2.284 20 0 EEADRL Cc1csc(NC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c1C(=O)[O-] ZINC001607931910 1351588408 /nfs/dbraw/zinc/58/84/08/1351588408.db2.gz BFAPURDYNXTAAE-APPZFPTMSA-N -2 0 326.374 2.329 20 0 EEADRL Cc1n[nH]c(C)c1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001607937836 1351589813 /nfs/dbraw/zinc/58/98/13/1351589813.db2.gz ZEZGDHXMWALXHT-UHFFFAOYSA-N -2 0 329.765 2.179 20 0 EEADRL COc1cccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1OC ZINC001198729961 1368641290 /nfs/dbraw/zinc/64/12/90/1368641290.db2.gz BQWOXTQWJFSNRB-UHFFFAOYSA-N -2 0 337.353 2.203 20 0 EEADRL O=P([O-])([O-])OCCNc1nccc2c1ncn2Cc1ccccc1 ZINC001168590208 790693373 /nfs/dbraw/zinc/69/33/73/790693373.db2.gz VXAFBZKNMHDRKV-UHFFFAOYSA-N -2 0 348.299 2.001 20 0 EEADRL O=P([O-])([O-])OCCNc1cc(F)c(OC(F)(F)F)c(F)c1 ZINC001168591486 790769948 /nfs/dbraw/zinc/76/99/48/790769948.db2.gz SHLZWGWFLQJXHI-UHFFFAOYSA-N -2 0 337.137 2.385 20 0 EEADRL CO[C@@H]1CCC[C@H]([C@H](NC(=O)c2ccc([O-])c(Cl)c2)C(=O)[O-])C1 ZINC000909906850 786337134 /nfs/dbraw/zinc/33/71/34/786337134.db2.gz HUIUSYGEMABZCB-PXWWUCIGSA-N -2 0 341.791 2.434 20 0 EEADRL CO[C@@H]1CCC[C@@H]([C@H](NC(=O)c2ccc([O-])c(Cl)c2)C(=O)[O-])C1 ZINC000909906851 786337350 /nfs/dbraw/zinc/33/73/50/786337350.db2.gz HUIUSYGEMABZCB-UDZFHETQSA-N -2 0 341.791 2.434 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2csc3c2CCCC3)C1 ZINC000910186683 786518713 /nfs/dbraw/zinc/51/87/13/786518713.db2.gz VAQKQGYCFPYAOM-BXKDBHETSA-N -2 0 337.397 2.017 20 0 EEADRL CC(C)(C)c1ccc(CC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1 ZINC000910187046 786519581 /nfs/dbraw/zinc/51/95/81/786519581.db2.gz YIWDUONFISCENE-HIFRSBDPSA-N -2 0 347.411 2.303 20 0 EEADRL C[C@H](CC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1ccccc1F ZINC000910188811 786521310 /nfs/dbraw/zinc/52/13/10/786521310.db2.gz NGOIDNPVQQKHEC-GYSYKLTISA-N -2 0 337.347 2.096 20 0 EEADRL Cn1nc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)cc1C(=O)[O-] ZINC000821090006 786595675 /nfs/dbraw/zinc/59/56/75/786595675.db2.gz PDTQUQPWTKDNQW-UHFFFAOYSA-N -2 0 343.430 2.278 20 0 EEADRL Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1ccc(Cl)c([O-])c1 ZINC001136754206 787842405 /nfs/dbraw/zinc/84/24/05/787842405.db2.gz MDNXWESSWOEUOX-UHFFFAOYSA-N -2 0 346.774 2.341 20 0 EEADRL O=C(Nc1ccc(C(F)F)nc1)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148916686 792782653 /nfs/dbraw/zinc/78/26/53/792782653.db2.gz BTAXHGVGFLAZNB-UHFFFAOYSA-N -2 0 344.295 2.224 20 0 EEADRL Cc1cc2ncc(C)c(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)n2n1 ZINC001176236490 798389833 /nfs/dbraw/zinc/38/98/33/798389833.db2.gz MZFPYVJNCSPGIF-UHFFFAOYSA-N -2 0 326.312 2.486 20 0 EEADRL O=P([O-])([O-])OCCNc1ccc(-c2ccccc2Cl)nn1 ZINC001157791003 810381370 /nfs/dbraw/zinc/38/13/70/810381370.db2.gz GMLBKZSSISTHBS-UHFFFAOYSA-N -2 0 329.680 2.318 20 0 EEADRL Cc1cncc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC000323106304 970967763 /nfs/dbraw/zinc/96/77/63/970967763.db2.gz NWHHAKTZGBDQJN-UHFFFAOYSA-N -2 0 332.381 2.307 20 0 EEADRL CC(C)(C)OC(=O)c1cc(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)[nH]n1 ZINC001602915557 971866735 /nfs/dbraw/zinc/86/67/35/971866735.db2.gz FZEYWWJJOVWIRW-LBPRGKRZSA-N -2 0 337.376 2.195 20 0 EEADRL C[C@@H](NC(=O)c1s[n-]c(=O)c1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603242751 972393644 /nfs/dbraw/zinc/39/36/44/972393644.db2.gz JTXJKRFTQGPCPJ-DSYKOEDSSA-N -2 0 332.809 2.367 20 0 EEADRL CCCc1cc([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])[nH]n1 ZINC000226480035 959887120 /nfs/dbraw/zinc/88/71/20/959887120.db2.gz SVJDZMTWRAOJAB-UHFFFAOYSA-N -2 0 329.403 2.231 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cncnc2)c(Cl)cc1Cl ZINC000231773250 960204688 /nfs/dbraw/zinc/20/46/88/960204688.db2.gz LMMZKDKDHPKTRQ-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL Cc1cnn(CC2CC2)c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260184483 960696463 /nfs/dbraw/zinc/69/64/63/960696463.db2.gz NMPDFGQYBNALMK-UHFFFAOYSA-N -2 0 335.385 2.101 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)ccc1[N+](=O)[O-] ZINC000315350561 963887908 /nfs/dbraw/zinc/88/79/08/963887908.db2.gz OWZBCKBNGMHEAV-UHFFFAOYSA-N -2 0 342.354 2.464 20 0 EEADRL CC(C)c1nc([N-]S(=O)(=O)c2cncc(F)c2)sc1C(=O)[O-] ZINC001592030559 976737553 /nfs/dbraw/zinc/73/75/53/976737553.db2.gz UVOXERIAESGWTD-UHFFFAOYSA-N -2 0 345.377 2.300 20 0 EEADRL CCC[C@@H](C)CCNC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001595573996 981489818 /nfs/dbraw/zinc/48/98/18/981489818.db2.gz NLNRECABVAYLED-GWUZIGMUSA-N -2 0 340.420 2.020 20 0 EEADRL CCCCc1cnc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)nc1 ZINC001595797920 982608932 /nfs/dbraw/zinc/60/89/32/982608932.db2.gz XXERAJJVKNOGCJ-UHFFFAOYSA-N -2 0 339.373 2.220 20 0 EEADRL CC[C@H](C)C[C@H](NC(=O)c1nn(-c2ccccc2F)cc1[O-])C(=O)[O-] ZINC001594950361 982659722 /nfs/dbraw/zinc/65/97/22/982659722.db2.gz XWUQLRUILSCUCU-JQWIXIFHSA-N -2 0 349.362 2.336 20 0 EEADRL CC[C@@H](C)CCCCC(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001594959295 982705728 /nfs/dbraw/zinc/70/57/28/982705728.db2.gz QFWXQELYZZUGMK-SECBINFHSA-N -2 0 348.446 2.253 20 0 EEADRL CCCOc1cccc([N-]S(=O)(=O)c2cccnc2C(=O)[O-])c1 ZINC001595969054 983187825 /nfs/dbraw/zinc/18/78/25/983187825.db2.gz KSOBXSTWDIJBLJ-UHFFFAOYSA-N -2 0 336.369 2.369 20 0 EEADRL CCCc1csc([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)n1 ZINC001596074855 983391331 /nfs/dbraw/zinc/39/13/31/983391331.db2.gz RCMRJTJSNNRIAG-UHFFFAOYSA-N -2 0 341.414 2.298 20 0 EEADRL CCOC(=O)CCc1c(C)[n-]n(-c2cccc(C(=O)[O-])c2F)c1=O ZINC001596602688 984563040 /nfs/dbraw/zinc/56/30/40/984563040.db2.gz YVTQUBJJBJATIA-SNVBAGLBSA-N -2 0 336.319 2.206 20 0 EEADRL CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1ncc(Br)cc1[O-] ZINC001589704907 987816037 /nfs/dbraw/zinc/81/60/37/987816037.db2.gz FYWCXTIWOZFJBA-VIFPVBQESA-N -2 0 345.193 2.169 20 0 EEADRL CCc1ccc(O)c([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)c1 ZINC001597556248 988287490 /nfs/dbraw/zinc/28/74/90/988287490.db2.gz JTDOUMDQRSBCPL-UHFFFAOYSA-N -2 0 325.342 2.355 20 0 EEADRL CCc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)s1 ZINC001597735446 989076677 /nfs/dbraw/zinc/07/66/77/989076677.db2.gz PNYDCXNEJLPDMP-UHFFFAOYSA-N -2 0 345.377 2.047 20 0 EEADRL CC(C)(CCNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)C(=O)[O-] ZINC001590679540 990392182 /nfs/dbraw/zinc/39/21/82/990392182.db2.gz YPMCIHFNRBBGEI-UHFFFAOYSA-N -2 0 330.287 2.285 20 0 EEADRL COc1ncc(C)cc1[N-]S(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC001599735782 991772577 /nfs/dbraw/zinc/77/25/77/991772577.db2.gz JQQAGEJCLDZTAC-UHFFFAOYSA-N -2 0 342.398 2.268 20 0 EEADRL COc1ccc(OC)c([N-]S(=O)(=O)CC2(C(=O)[O-])CCCC2)c1 ZINC001599604846 993870321 /nfs/dbraw/zinc/87/03/21/993870321.db2.gz QKZOLYOQHWDWMS-UHFFFAOYSA-N -2 0 343.401 2.091 20 0 EEADRL C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC001593659440 996035170 /nfs/dbraw/zinc/03/51/70/996035170.db2.gz SVMSLTMRRDOUFJ-AEJSXWLSSA-N -2 0 325.386 2.408 20 0 EEADRL COc1ccc(C(=O)[O-])c2c1CN(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)CC2 ZINC001599497073 997038497 /nfs/dbraw/zinc/03/84/97/997038497.db2.gz SMIZUMSDJLFQCP-AWEZNQCLSA-N -2 0 349.383 2.025 20 0 EEADRL COc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)cnc1Cl ZINC001599459931 998253697 /nfs/dbraw/zinc/25/36/97/998253697.db2.gz OOUIXMTVTLNTET-UHFFFAOYSA-N -2 0 348.789 2.304 20 0 EEADRL CC(C)[C@H]1CC[C@@H](C)C[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001594299328 999155726 /nfs/dbraw/zinc/15/57/26/999155726.db2.gz XRPRVKYMQBLCLL-GRYCIOLGSA-N -2 0 344.433 2.360 20 0 EEADRL C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@@H]2N1C(=O)c1cccc(Cl)c1[O-] ZINC001594336133 999290257 /nfs/dbraw/zinc/29/02/57/999290257.db2.gz HMHAZEDWKVCJKS-ZJNJWXDTSA-N -2 0 339.775 2.281 20 0 EEADRL CC(C)(C)n1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cn1 ZINC000175011279 539551287 /nfs/dbraw/zinc/55/12/87/539551287.db2.gz VGQQAKFITBMBJI-UHFFFAOYSA-N -2 0 337.401 2.066 20 0 EEADRL CCn1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1C1CC1 ZINC000267489207 256063851 /nfs/dbraw/zinc/06/38/51/256063851.db2.gz WCPXRCJZPDWYQR-UHFFFAOYSA-N -2 0 341.414 2.341 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c(F)c1 ZINC000358858303 164000933 /nfs/dbraw/zinc/00/09/33/164000933.db2.gz QKYICGUCIPHZEU-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cnn(C(F)F)c2)c1 ZINC000361777371 164500873 /nfs/dbraw/zinc/50/08/73/164500873.db2.gz SSMXVDNBWFQUEH-UHFFFAOYSA-N -2 0 349.290 2.225 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)cc1C(=O)[O-] ZINC000285160044 274686978 /nfs/dbraw/zinc/68/69/78/274686978.db2.gz SJLRDUVBXYZUQR-UHFFFAOYSA-N -2 0 335.385 2.027 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2cncc3ccccc32)cc1C(=O)[O-] ZINC000396505625 323554085 /nfs/dbraw/zinc/55/40/85/323554085.db2.gz BDJQHZJOZKYGIA-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL Cc1cc(NS(=O)(=O)c2csc(C(=O)[O-])c2)ccc1C(=O)[O-] ZINC000342972739 465424656 /nfs/dbraw/zinc/42/46/56/465424656.db2.gz RWFVDTDELOPRQJ-UHFFFAOYSA-N -2 0 341.366 2.254 20 0 EEADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C(F)F)c1 ZINC000361780033 466283488 /nfs/dbraw/zinc/28/34/88/466283488.db2.gz FQAZFXVYZIIXCH-UHFFFAOYSA-N -2 0 349.290 2.225 20 0 EEADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000350300825 466453935 /nfs/dbraw/zinc/45/39/35/466453935.db2.gz LLRWHWCLZABAPJ-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000436608181 467546877 /nfs/dbraw/zinc/54/68/77/467546877.db2.gz PSTWRSIQIQEEGC-UHFFFAOYSA-N -2 0 349.364 2.484 20 0 EEADRL C[C@@H]([C@@H](NS(=O)(=O)c1c(F)cccc1Cl)C(=O)[O-])C1CC1 ZINC000548990805 468164874 /nfs/dbraw/zinc/16/48/74/468164874.db2.gz USXXDVIGZJHPNZ-RDDDGLTNSA-N -2 0 335.784 2.257 20 0 EEADRL CCOC(=O)CCc1c(C)[n-]n(-c2cccc(C(=O)[O-])c2C)c1=O ZINC000601949049 469107963 /nfs/dbraw/zinc/10/79/63/469107963.db2.gz JLVGHNVWXRYSTN-ZDUSSCGKSA-N -2 0 332.356 2.375 20 0 EEADRL C[C@@H]1CN(C(=O)N=c2nc(-c3ccccc3)[n-]s2)CC[C@H]1C(=O)[O-] ZINC000630558355 469899039 /nfs/dbraw/zinc/89/90/39/469899039.db2.gz LKZGOWPZDLOODK-ZYHUDNBSSA-N -2 0 346.412 2.202 20 0 EEADRL CCC(CC)(CNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(=O)[O-] ZINC000663056607 472342446 /nfs/dbraw/zinc/34/24/46/472342446.db2.gz BVQAIJPVNHVSGW-UHFFFAOYSA-N -2 0 349.362 2.338 20 0 EEADRL C[C@](CNC(=O)[C@@H](C(=O)[O-])C1CCCC1)(C(=O)[O-])c1ccccc1 ZINC000663120744 472365301 /nfs/dbraw/zinc/36/53/01/472365301.db2.gz RXAIPSJDEHBEQR-KBXCAEBGSA-N -2 0 333.384 2.036 20 0 EEADRL O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1cc(F)c([O-])c(F)c1 ZINC000680817080 486054995 /nfs/dbraw/zinc/05/49/95/486054995.db2.gz LECXFJTWYUKBMR-UHFFFAOYSA-N -2 0 333.250 2.266 20 0 EEADRL COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000775295943 577434342 /nfs/dbraw/zinc/43/43/42/577434342.db2.gz VZRIINGOBUZALK-UHFFFAOYSA-N -2 0 344.776 2.186 20 0 EEADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2ccc(F)cc2O)c1 ZINC000756937024 577853412 /nfs/dbraw/zinc/85/34/12/577853412.db2.gz RQRAILTYLQHZOW-UHFFFAOYSA-N -2 0 347.270 2.309 20 0 EEADRL C[C@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000736541090 578210276 /nfs/dbraw/zinc/21/02/76/578210276.db2.gz QDUDRVKQRZXHIF-SNVBAGLBSA-N -2 0 335.385 2.353 20 0 EEADRL COc1cc(/C=C(\C(=O)[O-])c2ccncc2)ccc1OCC(=O)[O-] ZINC000737870746 578271602 /nfs/dbraw/zinc/27/16/02/578271602.db2.gz HLVCFBCPADUBIJ-JYRVWZFOSA-N -2 0 329.308 2.179 20 0 EEADRL COc1c(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1F ZINC000831851621 601232889 /nfs/dbraw/zinc/23/28/89/601232889.db2.gz AWFXNICDPYSSQK-UHFFFAOYSA-N -2 0 347.295 2.374 20 0 EEADRL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000827948307 601239917 /nfs/dbraw/zinc/23/99/17/601239917.db2.gz COOVFPZLOSDHRF-MRVWCRGKSA-N -2 0 339.413 2.085 20 0 EEADRL CC(C)Cc1nnc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)s1 ZINC000318900965 601348042 /nfs/dbraw/zinc/34/80/42/601348042.db2.gz JRIRFXBLSIUHSL-UHFFFAOYSA-N -2 0 341.414 2.236 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2nnc(C3CC3)s2)c1C(=O)[O-] ZINC000832972510 601502741 /nfs/dbraw/zinc/50/27/41/601502741.db2.gz DNDVQMJSANYMQJ-UHFFFAOYSA-N -2 0 339.398 2.223 20 0 EEADRL C[C@@H]1CC/C(=C\C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000828201220 601546227 /nfs/dbraw/zinc/54/62/27/601546227.db2.gz QINGMTJAMYXMNE-VSXLWIIGSA-N -2 0 337.397 2.077 20 0 EEADRL O=C([O-])CCC1CCN(C(=O)CSc2n[n-]c(=S)s2)CC1 ZINC000833224061 601816815 /nfs/dbraw/zinc/81/68/15/601816815.db2.gz DGPPJPCTEPLSLE-UHFFFAOYSA-N -2 0 347.487 2.022 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2csnc2C(=O)[O-])cc(C)c1F ZINC000832904306 602155614 /nfs/dbraw/zinc/15/56/14/602155614.db2.gz GBWIEWVICCICOS-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL CC(C)N(CCC(=O)[O-])C(=O)c1cccc(Br)c1[O-] ZINC000833497268 604711762 /nfs/dbraw/zinc/71/17/62/604711762.db2.gz ZDZRSJWQZXQTCB-UHFFFAOYSA-N -2 0 330.178 2.480 20 0 EEADRL C[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000833599871 605187931 /nfs/dbraw/zinc/18/79/31/605187931.db2.gz AFKHFDRCWBQRIZ-DTWKUNHWSA-N -2 0 345.804 2.279 20 0 EEADRL O=C([O-])C1(NC(=O)c2cc(F)c([O-])c(Cl)c2)CCSCC1 ZINC000909349204 686790630 /nfs/dbraw/zinc/79/06/30/686790630.db2.gz BWEOYROWPRDNKV-UHFFFAOYSA-N -2 0 333.768 2.265 20 0 EEADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)N3CCC[C@]3(C)C(=O)[O-])n2)c1 ZINC000909653559 687691062 /nfs/dbraw/zinc/69/10/62/687691062.db2.gz DHOAXCZIDHHSJB-QGZVFWFLSA-N -2 0 347.346 2.105 20 0 EEADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)[C@@H](c1ccccc1)C(C)C ZINC000863962532 1197938742 /nfs/dbraw/zinc/93/87/42/1197938742.db2.gz NXIPOANHSCQQDK-ZIAGYGMSSA-N -2 0 341.429 2.187 20 0 EEADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000863965835 1197939908 /nfs/dbraw/zinc/93/99/08/1197939908.db2.gz NHJDGEYROHJQAV-UHFFFAOYSA-N -2 0 347.820 2.177 20 0 EEADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ncncc2Cl)c1 ZINC001187545604 1279579349 /nfs/dbraw/zinc/57/93/49/1279579349.db2.gz QUYROEKGUYASOP-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL O=S(=O)(C[C@H]1CCCO1)[N-]c1cccc(C(F)(F)F)c1[O-] ZINC001193275378 1282417319 /nfs/dbraw/zinc/41/73/19/1282417319.db2.gz SLLSZYZHNOXMPE-MRVPVSSYSA-N -2 0 325.308 2.332 20 0 EEADRL COc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC001198701470 1285281950 /nfs/dbraw/zinc/28/19/50/1285281950.db2.gz AUGLADANRXIZBP-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cncc(N2CCCC2)c1 ZINC001198746714 1285317258 /nfs/dbraw/zinc/31/72/58/1285317258.db2.gz JQNPJRARLWVGKP-UHFFFAOYSA-N -2 0 347.396 2.181 20 0 EEADRL O=C(NCCOP(=O)([O-])[O-])Nc1ccc(Cl)cc1Cl ZINC001202087423 1289912156 /nfs/dbraw/zinc/91/21/56/1289912156.db2.gz WTZDBFKHQQSNSE-UHFFFAOYSA-N -2 0 329.076 2.224 20 0 EEADRL CN(C)S(=O)(=O)c1ccccc1-c1c(C(=O)[O-])cccc1C(=O)[O-] ZINC001236236864 1305541103 /nfs/dbraw/zinc/54/11/03/1305541103.db2.gz RAIZECRWIUMYKT-UHFFFAOYSA-N -2 0 349.364 2.000 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(-c3nn[nH]n3)c(F)c2)c1 ZINC001242163330 1309624363 /nfs/dbraw/zinc/62/43/63/1309624363.db2.gz UYERNBWFKOJGGW-UHFFFAOYSA-N -2 0 328.259 2.069 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cn(-c3ccccc3)c(=O)cn2)c1 ZINC001242163684 1309624974 /nfs/dbraw/zinc/62/49/74/1309624974.db2.gz GLEPTUWMAKZYAH-UHFFFAOYSA-N -2 0 336.303 2.296 20 0 EEADRL CN(C)C(=O)c1cccc([N-]S(=O)(=O)Cc2ccccc2)c1[O-] ZINC001252893732 1317714349 /nfs/dbraw/zinc/71/43/49/1317714349.db2.gz XGHAMEWCKAGBQS-UHFFFAOYSA-N -2 0 334.397 2.036 20 0 EEADRL CCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001605236002 1351112412 /nfs/dbraw/zinc/11/24/12/1351112412.db2.gz AFORZDZBSSCPJR-JTQLQIEISA-N -2 0 345.392 2.084 20 0 EEADRL O=C([O-])C1CC2(C1)CN(c1nc3ccccc3s1)C[C@@H]2C(=O)[O-] ZINC001608609543 1351725399 /nfs/dbraw/zinc/72/53/99/1351725399.db2.gz BUITVSYWMATBSI-IAZHFHGHSA-N -2 0 332.381 2.298 20 0 EEADRL O=C([O-])c1cncc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cn2)c1 ZINC001608983151 1351808051 /nfs/dbraw/zinc/80/80/51/1351808051.db2.gz QDHYLNAPPSLXRR-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C[C@@H]1C ZINC001609846417 1352100084 /nfs/dbraw/zinc/10/00/84/1352100084.db2.gz YPVMCNPILLBWIZ-WOPDTQHZSA-N -2 0 339.413 2.262 20 0 EEADRL Cc1cc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])nc3)ccc2[nH]1 ZINC001610479377 1352229337 /nfs/dbraw/zinc/22/93/37/1352229337.db2.gz UONKTISYNDEFBT-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL CC(C)[C@H](NS(=O)(=O)c1ccccc1[O-])c1nc(C2CC2)no1 ZINC000849373572 1339155448 /nfs/dbraw/zinc/15/54/48/1339155448.db2.gz SCIMHCPEGUEKDO-ZDUSSCGKSA-N -2 0 337.401 2.328 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nccc2ccncc21 ZINC001610579317 1352248613 /nfs/dbraw/zinc/24/86/13/1352248613.db2.gz VWVLLXIZBUZBDT-UHFFFAOYSA-N -2 0 333.325 2.030 20 0 EEADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)cn1 ZINC001610801525 1352276946 /nfs/dbraw/zinc/27/69/46/1352276946.db2.gz SXWPGCJWNNSFHU-UHFFFAOYSA-N -2 0 335.385 2.036 20 0 EEADRL O=C([N-]OC/C=C/Cl)C1(c2ccc(-c3nn[nH]n3)cc2)CCCC1 ZINC001593168872 1349743217 /nfs/dbraw/zinc/74/32/17/1349743217.db2.gz FQYZQUDUMBWTRC-XCVCLJGOSA-N -2 0 347.806 2.479 20 0 EEADRL Cc1cc(C)c([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)c(C)n1 ZINC001600163851 1349983375 /nfs/dbraw/zinc/98/33/75/1349983375.db2.gz XBOQWDJPWNQNAK-UHFFFAOYSA-N -2 0 335.385 2.209 20 0 EEADRL Cc1cc(C=O)c([O-])c(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001600186075 1349988236 /nfs/dbraw/zinc/98/82/36/1349988236.db2.gz PLPWNSBTTHOEAN-CQSZACIVSA-N -2 0 325.320 2.342 20 0 EEADRL Cc1cc([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])nn1-c1ccccc1 ZINC001600281520 1350010204 /nfs/dbraw/zinc/01/02/04/1350010204.db2.gz DESZZXVDESTGJX-UHFFFAOYSA-N -2 0 337.401 2.033 20 0 EEADRL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2csnc2C(=O)[O-])c1 ZINC001600624463 1350100741 /nfs/dbraw/zinc/10/07/41/1350100741.db2.gz CSXNWKMWTFNFFP-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2cnn([C@H](C)C3CC3)c2)cc1C(=O)[O-] ZINC001600856475 1350153382 /nfs/dbraw/zinc/15/33/82/1350153382.db2.gz AIQBTECMHMJDRF-MRVPVSSYSA-N -2 0 339.373 2.255 20 0 EEADRL O=C([O-])c1c(F)ccc(NC(=O)C[C@@]2(C(=O)[O-])CCSC2)c1F ZINC001601243377 1350239918 /nfs/dbraw/zinc/23/99/18/1350239918.db2.gz FDDKJSAGZXYSOZ-AWEZNQCLSA-N -2 0 345.323 2.200 20 0 EEADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)CC(C1CC1)C1CC1 ZINC001601244676 1350240463 /nfs/dbraw/zinc/24/04/63/1350240463.db2.gz VQUNSLIPKYEERH-UHFFFAOYSA-N -2 0 343.426 2.078 20 0 EEADRL O=C([O-])[C@H](NC(=O)c1s[n-]c(=O)c1Cl)c1ccccc1F ZINC001601402090 1350275629 /nfs/dbraw/zinc/27/56/29/1350275629.db2.gz PBENFQVUZYDUMT-MRVPVSSYSA-N -2 0 330.724 2.197 20 0 EEADRL O=C([O-])[C@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)c1cccnc1 ZINC001601403212 1350275856 /nfs/dbraw/zinc/27/58/56/1350275856.db2.gz JZCQUXQAOLNANK-GFCCVEGCSA-N -2 0 329.337 2.067 20 0 EEADRL O=C([O-])[C@H](CS(=O)(=O)[N-]c1cccc2c1OCO2)c1ccccc1 ZINC001601656498 1350329496 /nfs/dbraw/zinc/32/94/96/1350329496.db2.gz BNBQVLZRPVRZEO-GFCCVEGCSA-N -2 0 349.364 2.025 20 0 EEADRL O=C([O-])CC1(CC(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)CCCC1 ZINC001601913543 1350395787 /nfs/dbraw/zinc/39/57/87/1350395787.db2.gz MSXUNWYTRKIYCO-UHFFFAOYSA-N -2 0 345.355 2.394 20 0 EEADRL O=C([O-])CCc1ccc([N-]S(=O)(=O)c2cccc3c2OCC3)cc1 ZINC001602041006 1350424771 /nfs/dbraw/zinc/42/47/71/1350424771.db2.gz QANZLXRSJAPXGC-UHFFFAOYSA-N -2 0 347.392 2.440 20 0 EEADRL O=C([O-])c1ccc(/C=C/C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)o1 ZINC001602331432 1350495957 /nfs/dbraw/zinc/49/59/57/1350495957.db2.gz CEWUIQZYNHUQFV-NUWIJMFHSA-N -2 0 347.367 2.483 20 0 EEADRL O=C([O-])c1cnc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)cn1 ZINC001602535442 1350540692 /nfs/dbraw/zinc/54/06/92/1350540692.db2.gz DWZGUFMYOCFRCL-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL CC(=O)c1c(F)cccc1N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001603098385 1350639913 /nfs/dbraw/zinc/63/99/13/1350639913.db2.gz GZSKUZHCCMYRIO-VVHFOWEKSA-N -2 0 335.331 2.030 20 0 EEADRL CC(C)(CCC(=O)[O-])NC(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001603593251 1350727053 /nfs/dbraw/zinc/72/70/53/1350727053.db2.gz UCHIDGAEONZDDS-UHFFFAOYSA-N -2 0 343.405 2.270 20 0 EEADRL CC(C)[C@@H](CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)C(=O)[O-] ZINC001603722601 1350750562 /nfs/dbraw/zinc/75/05/62/1350750562.db2.gz OHUDIAYUQMDBHA-MRVPVSSYSA-N -2 0 330.287 2.141 20 0 EEADRL C[C@@H]1CCC[C@@H]1CC(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001604724082 1350991668 /nfs/dbraw/zinc/99/16/68/1350991668.db2.gz HMMRFAJCTGEOCI-DGCLKSJQSA-N -2 0 339.413 2.157 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C2CC2)nn1C ZINC001607744553 1351550803 /nfs/dbraw/zinc/55/08/03/1351550803.db2.gz IOCQPXSHXHVAAF-UHFFFAOYSA-N -2 0 335.385 2.105 20 0 EEADRL Cc1ccc([C@@H]([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])C(F)(F)F)o1 ZINC001607759244 1351553679 /nfs/dbraw/zinc/55/36/79/1351553679.db2.gz ALQHIRRJLMOOGW-SECBINFHSA-N -2 0 343.323 2.222 20 0 EEADRL Cc1ccccc1-c1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)o1 ZINC001607870322 1351575576 /nfs/dbraw/zinc/57/55/76/1351575576.db2.gz QDXFCBZTGWTOPL-UHFFFAOYSA-N -2 0 349.324 2.137 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cc(C2CC2)[nH]n1 ZINC001607928010 1351587542 /nfs/dbraw/zinc/58/75/42/1351587542.db2.gz RPTXJNUQVQCYKL-UHFFFAOYSA-N -2 0 327.387 2.156 20 0 EEADRL Cc1nc2sc3c(c2c(-n2[n-]cc(CC(=O)[O-])c2=O)n1)CCCC3 ZINC001607963021 1351594147 /nfs/dbraw/zinc/59/41/47/1351594147.db2.gz LPIBOCOOHRDXJU-SECBINFHSA-N -2 0 344.396 2.302 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2cc3c(cn2)CCCC3)cc1C(=O)[O-] ZINC001607985685 1351598611 /nfs/dbraw/zinc/59/86/11/1351598611.db2.gz SINCGWLLQIDAJA-UHFFFAOYSA-N -2 0 347.396 2.163 20 0 EEADRL CC(C)n1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC001195205650 1368510060 /nfs/dbraw/zinc/51/00/60/1368510060.db2.gz OEDJSJDVYCSZHD-UHFFFAOYSA-N -2 0 345.327 2.241 20 0 EEADRL Cc1cn2c(cccc2[N-]S(=O)(=O)c2ccccc2C(=O)[O-])n1 ZINC001198730568 1368641337 /nfs/dbraw/zinc/64/13/37/1368641337.db2.gz PFACBLGXNNEBFK-UHFFFAOYSA-N -2 0 331.353 2.142 20 0 EEADRL O=C([O-])CCS(=O)(=O)[N-][C@@H](c1cccc(Cl)c1)C(F)F ZINC001574882618 1403528022 /nfs/dbraw/zinc/52/80/22/1403528022.db2.gz TWBDDVHBOHVAHU-JTQLQIEISA-N -2 0 327.736 2.040 20 0 EEADRL Cc1c(Cl)cccc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910182741 786515454 /nfs/dbraw/zinc/51/54/54/786515454.db2.gz JGTVEDIHKFUEHX-CABZTGNLSA-N -2 0 325.748 2.038 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cccc3nnsc32)cc1C(=O)[O-] ZINC001184699226 802133556 /nfs/dbraw/zinc/13/35/56/802133556.db2.gz NKBHLUUDTARHPT-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1s[n-]c(=O)c1Cl ZINC001601869211 971087558 /nfs/dbraw/zinc/08/75/58/971087558.db2.gz BDBIFZLBNOPCEJ-JTQLQIEISA-N -2 0 338.772 2.326 20 0 EEADRL O=C([O-])C1CC2(C1)CC[C@H](CNC(=O)c1cccc(Cl)c1[O-])O2 ZINC001594748928 953405292 /nfs/dbraw/zinc/40/52/92/953405292.db2.gz DIETVLZPPCGQES-IAZHFHGHSA-N -2 0 339.775 2.188 20 0 EEADRL C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C(F)(F)F ZINC000389235057 972213385 /nfs/dbraw/zinc/21/33/85/972213385.db2.gz VSQQCIYIMCSRFK-SCSAIBSYSA-N -2 0 349.689 2.406 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2F)cn1 ZINC000128283612 958655044 /nfs/dbraw/zinc/65/50/44/958655044.db2.gz MRACZDXCXNUNLV-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL COc1cc(F)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000314194721 963723627 /nfs/dbraw/zinc/72/36/27/963723627.db2.gz LGHWBIPQFQOFFV-UHFFFAOYSA-N -2 0 331.346 2.395 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)n1 ZINC001603976669 974476216 /nfs/dbraw/zinc/47/62/16/974476216.db2.gz VSABAQSKZHHTJB-OLZOCXBDSA-N -2 0 343.383 2.123 20 0 EEADRL CC(C)c1nc([N-]S(=O)(=O)c2cscn2)sc1C(=O)[O-] ZINC001592030861 976739165 /nfs/dbraw/zinc/73/91/65/976739165.db2.gz ZHVIMZSLRGFWHS-UHFFFAOYSA-N -2 0 333.416 2.222 20 0 EEADRL CC[C@H](CC(F)F)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC001595041903 979230125 /nfs/dbraw/zinc/23/01/25/979230125.db2.gz GHYXKTLZCPRWOO-SECBINFHSA-N -2 0 349.355 2.180 20 0 EEADRL CC/C=C(\C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001595508326 981296229 /nfs/dbraw/zinc/29/62/29/981296229.db2.gz TXKDPTZWGBGFSN-XBXARRHUSA-N -2 0 331.777 2.199 20 0 EEADRL CCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001595631515 981840479 /nfs/dbraw/zinc/84/04/79/981840479.db2.gz SDTREQZXKFYQOZ-QMMMGPOBSA-N -2 0 349.355 2.294 20 0 EEADRL CCCC[C@@H]([N-]S(=O)(=O)c1onc(C2CC2)c1Cl)C(=O)[O-] ZINC001595642141 981970046 /nfs/dbraw/zinc/97/00/46/981970046.db2.gz IIDOGXVOXDAHHI-MRVPVSSYSA-N -2 0 336.797 2.127 20 0 EEADRL CC[C@H](C)CO[N-]C(=O)C(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC001594964528 982718951 /nfs/dbraw/zinc/71/89/51/982718951.db2.gz KSCXFZVMFODQDE-VIFPVBQESA-N -2 0 340.401 2.139 20 0 EEADRL CCOC(=O)c1[n-]c(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)nc1Cl ZINC001596691648 984807171 /nfs/dbraw/zinc/80/71/71/984807171.db2.gz NQZHMSJBKWXLJK-JGVFFNPUSA-N -2 0 343.767 2.069 20 0 EEADRL CCOc1ccncc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1C ZINC001597185629 987050410 /nfs/dbraw/zinc/05/04/10/987050410.db2.gz DNFQVBAYIIYQEH-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL CC[C@@H](NC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1ccccc1 ZINC001597286083 987365004 /nfs/dbraw/zinc/36/50/04/987365004.db2.gz KLEKEUULTMKYKH-MGPQQGTHSA-N -2 0 334.372 2.097 20 0 EEADRL CC(C)(C(=O)[O-])[C@H](NC(=O)NCCCCC(=O)[O-])c1ccccc1 ZINC001589593596 987408166 /nfs/dbraw/zinc/40/81/66/987408166.db2.gz GYVKFDUPSSJCQT-CQSZACIVSA-N -2 0 336.388 2.393 20 0 EEADRL CCc1cnc([N-]S(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)o1 ZINC001597632316 988603294 /nfs/dbraw/zinc/60/32/94/988603294.db2.gz RIODZXUSPNECJL-UHFFFAOYSA-N -2 0 338.385 2.400 20 0 EEADRL CCc1noc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1 ZINC001597746904 989120878 /nfs/dbraw/zinc/12/08/78/989120878.db2.gz YMVSKKLCVLAOTJ-UHFFFAOYSA-N -2 0 340.357 2.053 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(n1)CCC2 ZINC001597791210 989319798 /nfs/dbraw/zinc/31/97/98/989319798.db2.gz NMZOTBWPFINTFI-UHFFFAOYSA-N -2 0 336.369 2.225 20 0 EEADRL CCn1cnc(S(=O)(=O)[N-]c2cc(Cl)c(F)c(C(=O)[O-])c2)c1 ZINC001597920893 989849355 /nfs/dbraw/zinc/84/93/55/989849355.db2.gz PQUAWCBYJHXEJR-UHFFFAOYSA-N -2 0 347.755 2.195 20 0 EEADRL C[C@](NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])(C(=O)[O-])C1CC1 ZINC001593189300 994111908 /nfs/dbraw/zinc/11/19/08/994111908.db2.gz OSLNSYNTICOQCD-MRXNPFEDSA-N -2 0 349.774 2.214 20 0 EEADRL C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CC=CCC1 ZINC001593755533 996403729 /nfs/dbraw/zinc/40/37/29/996403729.db2.gz SRRMRYGYCGCKIR-MRXNPFEDSA-N -2 0 337.397 2.077 20 0 EEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C2CC2)ccn1 ZINC001599502931 997157910 /nfs/dbraw/zinc/15/79/10/997157910.db2.gz CWPOWNUHPPHDDR-UHFFFAOYSA-N -2 0 348.380 2.467 20 0 EEADRL COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001599420779 997591621 /nfs/dbraw/zinc/59/16/21/997591621.db2.gz HHYHJQWVTITZTR-UHFFFAOYSA-N -2 0 331.733 2.441 20 0 EEADRL C[C@]1(NC(=O)c2nn(-c3ccccc3)cc2[O-])CCCC[C@@H]1C(=O)[O-] ZINC001594061309 997848684 /nfs/dbraw/zinc/84/86/84/997848684.db2.gz UVFDVSTUJGPTIL-ACJLOTCBSA-N -2 0 343.383 2.341 20 0 EEADRL O=C([O-])CCCO[N-]C(=O)CSc1ccc(Br)cc1 ZINC001601995960 1118771794 /nfs/dbraw/zinc/77/17/94/1118771794.db2.gz XETCNDJBNREDLI-UHFFFAOYSA-N -2 0 348.218 2.454 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c(F)c1 ZINC000350730131 140949361 /nfs/dbraw/zinc/94/93/61/140949361.db2.gz PRJAFEWPLUVKDW-UHFFFAOYSA-N -3 0 339.300 2.023 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1F ZINC000360501339 164324024 /nfs/dbraw/zinc/32/40/24/164324024.db2.gz SIEVVOUBRALYIA-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cncc(OC)c1 ZINC000524173842 317009395 /nfs/dbraw/zinc/00/93/95/317009395.db2.gz KCUOAFCJGVKQTH-UHFFFAOYSA-N -2 0 336.369 2.152 20 0 EEADRL COc1ccsc1S(=O)(=O)N[C@H]1CCCC[C@]1(C)C(=O)[O-] ZINC000547574353 318300644 /nfs/dbraw/zinc/30/06/44/318300644.db2.gz OEZJCBPAQGIODC-GWCFXTLKSA-N -2 0 333.431 2.069 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)nc1C ZINC000548529432 318394559 /nfs/dbraw/zinc/39/45/59/318394559.db2.gz HMWAUJKGXAAOAE-UHFFFAOYSA-N -2 0 337.401 2.327 20 0 EEADRL O=C([O-])[C@H]1CCN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000566225153 319261893 /nfs/dbraw/zinc/26/18/93/319261893.db2.gz WNPJZKQVWJFAEH-LURJTMIESA-N -2 0 348.580 2.355 20 0 EEADRL COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000326640427 465042382 /nfs/dbraw/zinc/04/23/82/465042382.db2.gz UEFYDIALXVKZLN-UHFFFAOYSA-N -2 0 349.364 2.281 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)s1 ZINC000339070661 465063964 /nfs/dbraw/zinc/06/39/64/465063964.db2.gz DHYAVQZJYKIRFT-UHFFFAOYSA-N -2 0 342.398 2.106 20 0 EEADRL CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)c1C ZINC000076082331 462803669 /nfs/dbraw/zinc/80/36/69/462803669.db2.gz HMXPWRFXCCLPKC-UHFFFAOYSA-N -2 0 337.401 2.327 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cn(CC(C)C)cn2)ccc1C(=O)[O-] ZINC000170653914 463690027 /nfs/dbraw/zinc/69/00/27/463690027.db2.gz TXZQUSFMUZQGDX-UHFFFAOYSA-N -2 0 337.401 2.347 20 0 EEADRL O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1cc(F)c([O-])c(F)c1 ZINC000186756828 464062603 /nfs/dbraw/zinc/06/26/03/464062603.db2.gz KDQJWVAIUDNRRO-UHFFFAOYSA-N -2 0 333.250 2.266 20 0 EEADRL Cc1cc(C(=O)Nc2ncc(C(C)C)s2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000173314240 464237964 /nfs/dbraw/zinc/23/79/64/464237964.db2.gz ZOFQHDIQYFUTBU-UHFFFAOYSA-N -2 0 345.384 2.164 20 0 EEADRL Cc1cc(C(=O)N(Cc2ccco2)C(C)C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000266819822 464833557 /nfs/dbraw/zinc/83/35/57/464833557.db2.gz HQMXCPWRVLUKRU-UHFFFAOYSA-N -2 0 342.355 2.388 20 0 EEADRL C[C@H]([C@H](NS(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-])C1CC1 ZINC000554676758 468436586 /nfs/dbraw/zinc/43/65/86/468436586.db2.gz KISWJCGYQYNBQO-MADCSZMMSA-N -2 0 335.784 2.257 20 0 EEADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000350297992 466452193 /nfs/dbraw/zinc/45/21/93/466452193.db2.gz AXBNPRDUXGBMFZ-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL CC(C)Oc1ncccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000314631273 466553480 /nfs/dbraw/zinc/55/34/80/466553480.db2.gz IYMKHNPFLGWIOT-UHFFFAOYSA-N -2 0 342.398 2.429 20 0 EEADRL Cc1ccn(-c2ccccc2[N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n1 ZINC000366032626 467034832 /nfs/dbraw/zinc/03/48/32/467034832.db2.gz IVQLHLSGUWFING-UHFFFAOYSA-N -2 0 346.368 2.008 20 0 EEADRL O=C([O-])c1ccccc1CC[N-]S(=O)(=O)c1c(F)cccc1F ZINC000391370978 467420449 /nfs/dbraw/zinc/42/04/49/467420449.db2.gz QLLGXQKRWGOQLJ-UHFFFAOYSA-N -2 0 341.335 2.184 20 0 EEADRL CC[C@H](c1n[n-]c(=NC(=O)NC[C@H](C)C(=O)[O-])s1)c1ccccc1 ZINC000653538644 471656818 /nfs/dbraw/zinc/65/68/18/471656818.db2.gz BUWCYBCBLJDTGO-JQWIXIFHSA-N -2 0 348.428 2.344 20 0 EEADRL O=C([O-])C[C@H]1CCCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000663120722 472365730 /nfs/dbraw/zinc/36/57/30/472365730.db2.gz ROKNBOREIWRXCR-CYBMUJFWSA-N -2 0 347.346 2.186 20 0 EEADRL Cc1ccc(/C=C\S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)cc1 ZINC000738267030 578007053 /nfs/dbraw/zinc/00/70/53/578007053.db2.gz BVVRLXBGOUGBTM-SREVYHEPSA-N -2 0 338.410 2.491 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2n[nH]c3ccccc32)ccc1F ZINC000738678304 577093190 /nfs/dbraw/zinc/09/31/90/577093190.db2.gz HHKMLWPXVCAHPT-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL CCc1ccc([N-]S(=O)(=O)c2ncn(C)c2Cl)c(C(=O)[O-])c1 ZINC000732951098 577198241 /nfs/dbraw/zinc/19/82/41/577198241.db2.gz FHWPDMLYVNCOJA-UHFFFAOYSA-N -2 0 343.792 2.135 20 0 EEADRL CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)cc1 ZINC000776428328 577459696 /nfs/dbraw/zinc/45/96/96/577459696.db2.gz YBBFFBODWUCCKK-SNVBAGLBSA-N -2 0 337.401 2.433 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)nn1C ZINC000747794997 577950256 /nfs/dbraw/zinc/95/02/56/577950256.db2.gz SGYNRLDYBUXETC-UHFFFAOYSA-N -2 0 347.755 2.020 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ncccc2OC(F)F)c1 ZINC000738688099 578023837 /nfs/dbraw/zinc/02/38/37/578023837.db2.gz CFIACXVUNBQMSG-UHFFFAOYSA-N -2 0 344.295 2.182 20 0 EEADRL C[C@@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000736540402 578210243 /nfs/dbraw/zinc/21/02/43/578210243.db2.gz GTIYIZHHZLISNZ-JTQLQIEISA-N -2 0 335.385 2.353 20 0 EEADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000322304590 600514044 /nfs/dbraw/zinc/51/40/44/600514044.db2.gz VZZKIMCPYIGVBP-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL C[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000828233784 600941165 /nfs/dbraw/zinc/94/11/65/600941165.db2.gz SIYNOFYAOOWHFC-BDAKNGLRSA-N -2 0 331.415 2.078 20 0 EEADRL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000828804452 601268092 /nfs/dbraw/zinc/26/80/92/601268092.db2.gz NHAFIYYBXHRUQV-UHFFFAOYSA-N -2 0 339.335 2.416 20 0 EEADRL COc1ncc(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000225419957 601333512 /nfs/dbraw/zinc/33/35/12/601333512.db2.gz BIAILVRUFHSQKV-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL CC(C)n1nccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000386572319 601358470 /nfs/dbraw/zinc/35/84/70/601358470.db2.gz QGGGJHHVCFZABG-UHFFFAOYSA-N -2 0 327.337 2.102 20 0 EEADRL CC(C)c1nnc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)s1 ZINC000827168427 601503445 /nfs/dbraw/zinc/50/34/45/601503445.db2.gz FJIYBHLTCBINTD-UHFFFAOYSA-N -2 0 333.416 2.222 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nnc(C(C)C)s1 ZINC000832919209 601503933 /nfs/dbraw/zinc/50/39/33/601503933.db2.gz XRXRXJADJRIQCY-UHFFFAOYSA-N -2 0 341.414 2.469 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2csnc2C(=O)[O-])cc1 ZINC000830094711 601602375 /nfs/dbraw/zinc/60/23/75/601602375.db2.gz YTZNIBJVVLMALS-UHFFFAOYSA-N -2 0 328.371 2.041 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)NCCCCC(=O)[O-])n1 ZINC000830270720 601756596 /nfs/dbraw/zinc/75/65/96/601756596.db2.gz ZANHPBNTKQFDLI-UHFFFAOYSA-N -2 0 331.372 2.125 20 0 EEADRL O=C([O-])CCCc1csc([N-]S(=O)(=O)c2cccc(F)c2)n1 ZINC000316396208 601770546 /nfs/dbraw/zinc/77/05/46/601770546.db2.gz RXUUQDFKXKSDJE-UHFFFAOYSA-N -2 0 344.389 2.490 20 0 EEADRL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000830044791 601836961 /nfs/dbraw/zinc/83/69/61/601836961.db2.gz TWBTZIKMRXGILI-UHFFFAOYSA-N -2 0 342.398 2.349 20 0 EEADRL CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)n[nH]1 ZINC000829216208 601861709 /nfs/dbraw/zinc/86/17/09/601861709.db2.gz KEYALTMXBOHLHT-QMMMGPOBSA-N -2 0 327.362 2.405 20 0 EEADRL COc1cc(C)c(S(=O)(=O)[N-]c2csnc2C(=O)[O-])c(C)c1 ZINC000831967473 602155809 /nfs/dbraw/zinc/15/58/09/602155809.db2.gz ZTFKQRRAQWEQSO-UHFFFAOYSA-N -2 0 342.398 2.268 20 0 EEADRL COc1ccc(O)c([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])c1 ZINC000833733974 604747589 /nfs/dbraw/zinc/74/75/89/604747589.db2.gz XNMGJFXTCGEJSV-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL C[C@]1([N-]S(=O)(=O)c2c(F)cccc2F)CCCC[C@H]1C(=O)[O-] ZINC000833570383 604808879 /nfs/dbraw/zinc/80/88/79/604808879.db2.gz SEIAIPSYDNPXRY-XPTSAGLGSA-N -2 0 333.356 2.277 20 0 EEADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000871973452 1197999206 /nfs/dbraw/zinc/99/92/06/1197999206.db2.gz XGCQHJYDJCKIOL-POZPLHJXSA-N -2 0 331.340 2.130 20 0 EEADRL Cc1nn(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000172818551 1214720792 /nfs/dbraw/zinc/72/07/92/1214720792.db2.gz UVFAMCVCFPZUPV-UHFFFAOYSA-N -2 0 347.755 2.020 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc2ccccn2n1 ZINC001185879315 1278846761 /nfs/dbraw/zinc/84/67/61/1278846761.db2.gz MQGLHGPROQKTEG-UHFFFAOYSA-N -2 0 331.353 2.142 20 0 EEADRL Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1O ZINC001186187832 1278982573 /nfs/dbraw/zinc/98/25/73/1278982573.db2.gz AIBPJXUNJNFFMW-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL CC(C)(C)[C@@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ncc[nH]2)cc1 ZINC001190730254 1281036998 /nfs/dbraw/zinc/03/69/98/1281036998.db2.gz AXRYHFNGCWGHSV-GFCCVEGCSA-N -2 0 337.401 2.425 20 0 EEADRL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000400456934 1296676915 /nfs/dbraw/zinc/67/69/15/1296676915.db2.gz JLQYAAIIQZNNOZ-CPCISQLKSA-N -2 0 339.335 2.272 20 0 EEADRL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000400456935 1296677457 /nfs/dbraw/zinc/67/74/57/1296677457.db2.gz JLQYAAIIQZNNOZ-HQJQHLMTSA-N -2 0 339.335 2.272 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cnc(OC3CCOCC3)cn2)c1 ZINC001242163975 1309625191 /nfs/dbraw/zinc/62/51/91/1309625191.db2.gz VODQPOZUWUWWFS-UHFFFAOYSA-N -2 0 344.323 2.098 20 0 EEADRL Nc1cccc(-c2cc(=O)n(-c3cccc(S(=O)(=O)[O-])c3)[n-]2)c1 ZINC001245953292 1310196375 /nfs/dbraw/zinc/19/63/75/1310196375.db2.gz MCTYSIYGLFYRKE-UHFFFAOYSA-N -2 0 331.353 2.074 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nsc3ncccc23)cc1 ZINC001260222341 1319837326 /nfs/dbraw/zinc/83/73/26/1319837326.db2.gz XATHQSRZOQFHOX-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL CCc1nc2sc3c(c2c(NCCOP(=O)([O-])[O-])n1)CCC3 ZINC001157795658 1318866355 /nfs/dbraw/zinc/86/63/55/1318866355.db2.gz JVEGSPOKJVNDOY-UHFFFAOYSA-N -2 0 343.345 2.264 20 0 EEADRL CCOc1ncc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1F ZINC001260183819 1319818085 /nfs/dbraw/zinc/81/80/85/1319818085.db2.gz CCVJLJFMWCQXNZ-UHFFFAOYSA-N -2 0 340.332 2.118 20 0 EEADRL COc1ccc(C(C)=O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC001260227323 1319838027 /nfs/dbraw/zinc/83/80/27/1319838027.db2.gz BIDWPCDBZQUHCR-UHFFFAOYSA-N -2 0 349.364 2.397 20 0 EEADRL O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)C1 ZINC001608621329 1351727757 /nfs/dbraw/zinc/72/77/57/1351727757.db2.gz HHGQKMKQYGOMJX-LALPHHSUSA-N -2 0 331.368 2.088 20 0 EEADRL O=C([O-])CCCO[N-]C(=O)COc1ccc(Cl)c2cccnc12 ZINC001608716346 1351748125 /nfs/dbraw/zinc/74/81/25/1351748125.db2.gz IKWODKPCMXQQRV-UHFFFAOYSA-N -2 0 338.747 2.180 20 0 EEADRL O=C([O-])Cc1ccccc1-c1cccc(N2CC[C@H](C(=O)[O-])C2=O)c1 ZINC001608788490 1351764052 /nfs/dbraw/zinc/76/40/52/1351764052.db2.gz REQYILGNCIAUCL-INIZCTEOSA-N -2 0 339.347 2.418 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2c[nH]nc2-c2ccccc2)o1 ZINC001608913507 1351792487 /nfs/dbraw/zinc/79/24/87/1351792487.db2.gz WBAJIJRALBXZIB-UHFFFAOYSA-N -2 0 333.325 2.169 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nc3cc(F)ccc3[nH]2)s1 ZINC001608913757 1351792621 /nfs/dbraw/zinc/79/26/21/1351792621.db2.gz AURZWHUHBDKDLO-UHFFFAOYSA-N -2 0 341.345 2.263 20 0 EEADRL O=C([O-])c1cccc2c1OCCN(C(=O)c1cc(F)c([O-])c(F)c1)C2 ZINC001608942701 1351799404 /nfs/dbraw/zinc/79/94/04/1351799404.db2.gz QGZIAUXBOCOTPY-UHFFFAOYSA-N -2 0 349.289 2.403 20 0 EEADRL CC(C)(NC(=O)c1cc(F)c(F)c([O-])c1F)c1nocc1C(=O)[O-] ZINC001609679594 1352057371 /nfs/dbraw/zinc/05/73/71/1352057371.db2.gz CRAYAIZBGYXDJA-UHFFFAOYSA-N -2 0 344.245 2.161 20 0 EEADRL CCC/C(C)=C\C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001609954221 1352128611 /nfs/dbraw/zinc/12/86/11/1352128611.db2.gz CCIIYDLGIVSTRH-FLIBITNWSA-N -2 0 325.386 2.077 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc2c(cn1)CCC2 ZINC001610078172 1352157531 /nfs/dbraw/zinc/15/75/31/1352157531.db2.gz XGUVHISWQQRPIH-UHFFFAOYSA-N -2 0 336.369 2.225 20 0 EEADRL COCc1cc([N-]S(=O)(=O)c2ccsc2)cc(C(=O)[O-])c1 ZINC001610270875 1352197303 /nfs/dbraw/zinc/19/73/03/1352197303.db2.gz GQSQAWCZTDWICW-UHFFFAOYSA-N -2 0 327.383 2.394 20 0 EEADRL COc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1F ZINC001610291013 1352200545 /nfs/dbraw/zinc/20/05/45/1352200545.db2.gz FUMZYTIGCQSAFF-UHFFFAOYSA-N -2 0 329.305 2.235 20 0 EEADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1c(C)ccnc1C ZINC001610290042 1352200589 /nfs/dbraw/zinc/20/05/89/1352200589.db2.gz MCSOWVKIKJPQQH-UHFFFAOYSA-N -2 0 342.398 2.268 20 0 EEADRL O=C([O-])CC1(CNC(=O)c2cc(F)cc(Cl)c2[O-])CCOCC1 ZINC001610753855 1352268955 /nfs/dbraw/zinc/26/89/55/1352268955.db2.gz VARRAYBATXHOSQ-UHFFFAOYSA-N -2 0 345.754 2.186 20 0 EEADRL O=C(N[C@H](c1nnn[n-]1)c1ccccc1)c1cccc(Cl)c1[O-] ZINC001586100156 1348839923 /nfs/dbraw/zinc/83/99/23/1348839923.db2.gz MQMDNJQLVBMGBY-LBPRGKRZSA-N -2 0 329.747 2.078 20 0 EEADRL Cc1cc(CCCC(=O)N(CCC(=O)[O-])CC(=O)[O-])c(C)s1 ZINC001600188536 1349988079 /nfs/dbraw/zinc/98/80/79/1349988079.db2.gz OGSUZMOXXVRTFR-UHFFFAOYSA-N -2 0 327.402 2.076 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)C2(C)CCCCCC2)oc1C(=O)[O-] ZINC001600296198 1350013303 /nfs/dbraw/zinc/01/33/03/1350013303.db2.gz QJANNDSDWJRKEB-UHFFFAOYSA-N -2 0 343.401 2.452 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cnn([C@H](C)C3CC3)c2)oc1C(=O)[O-] ZINC001600301433 1350014590 /nfs/dbraw/zinc/01/45/90/1350014590.db2.gz HVVHFPOIDMFBLA-SECBINFHSA-N -2 0 339.373 2.255 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c2cccnc12 ZINC001600463966 1350057833 /nfs/dbraw/zinc/05/78/33/1350057833.db2.gz ITFOPHNQAFJYOD-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(OCC(=O)[O-])cc1 ZINC001600535995 1350076036 /nfs/dbraw/zinc/07/60/36/1350076036.db2.gz AVJCUBBNWIVRNH-UHFFFAOYSA-N -2 0 339.344 2.398 20 0 EEADRL Cc1cnn(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC001600635216 1350103220 /nfs/dbraw/zinc/10/32/20/1350103220.db2.gz AXSOTXQJAODRLS-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)cc1C(=O)[O-] ZINC001600746609 1350127083 /nfs/dbraw/zinc/12/70/83/1350127083.db2.gz AKUKLCTZJUPDNW-UHFFFAOYSA-N -2 0 346.286 2.306 20 0 EEADRL O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001601569254 1350309161 /nfs/dbraw/zinc/30/91/61/1350309161.db2.gz VVTHFZFHBFGMDE-OLZOCXBDSA-N -2 0 347.346 2.090 20 0 EEADRL O=C([O-])C1CC2(C1)CN(C(=O)[C@H]1CCC=CCCC1)C[C@H]2C(=O)[O-] ZINC001601777821 1350362501 /nfs/dbraw/zinc/36/25/01/1350362501.db2.gz AOINQXQNEWJERZ-FMHYQEOESA-N -2 0 335.400 2.147 20 0 EEADRL O=C([O-])C1CC2(C1)CN(c1ccnc3c(F)cccc13)C[C@@H]2C(=O)[O-] ZINC001601782149 1350363304 /nfs/dbraw/zinc/36/33/04/1350363304.db2.gz RWXXETKDCTUGAM-UNYNQTTQSA-N -2 0 344.342 2.376 20 0 EEADRL O=C([O-])[C@H]1CCc2sc([N-]S(=O)(=O)c3ccccc3)nc2C1 ZINC001601838968 1350377682 /nfs/dbraw/zinc/37/76/82/1350377682.db2.gz FKMRECYTLFXUNG-VIFPVBQESA-N -2 0 338.410 2.133 20 0 EEADRL O=C([O-])[C@@H]1CN(C(=O)c2cccc(F)c2[O-])c2ccc(F)cc2O1 ZINC001601847238 1350380147 /nfs/dbraw/zinc/38/01/47/1350380147.db2.gz XLMWSNHEQGYYIV-ZDUSSCGKSA-N -2 0 335.262 2.163 20 0 EEADRL O=C([O-])CCCCCCNC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC001601984908 1350411167 /nfs/dbraw/zinc/41/11/67/1350411167.db2.gz POPGTLKOISAIFM-UHFFFAOYSA-N -2 0 331.372 2.343 20 0 EEADRL O=C([O-])CCCCNC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC001601988585 1350411529 /nfs/dbraw/zinc/41/15/29/1350411529.db2.gz SOIYLXGGXSMQDF-UHFFFAOYSA-N -2 0 344.751 2.180 20 0 EEADRL O=C([O-])c1cc(NS(=O)(=O)CC2(C(=O)[O-])CCC2)ccc1Cl ZINC001602287658 1350486390 /nfs/dbraw/zinc/48/63/90/1350486390.db2.gz SQZPKPMSDMNXQC-UHFFFAOYSA-N -2 0 347.776 2.035 20 0 EEADRL O=C([O-])c1ccc(COC(=O)c2cc(F)cc3n[nH]nc32)c(F)c1 ZINC001602352908 1350502081 /nfs/dbraw/zinc/50/20/81/1350502081.db2.gz VXEZKZJSUWSLCR-UHFFFAOYSA-N -2 0 333.250 2.291 20 0 EEADRL O=C([O-])c1ccc2c(c1)CN(C(=O)NC1CCC(C(=O)[O-])CC1)C2 ZINC001602420313 1350515498 /nfs/dbraw/zinc/51/54/98/1350515498.db2.gz HSTLUVZOYQNQOA-UHFFFAOYSA-N -2 0 332.356 2.053 20 0 EEADRL O=C([O-])c1ccccc1CNC(=O)c1cc(F)c(F)c([O-])c1F ZINC001602472288 1350526804 /nfs/dbraw/zinc/52/68/04/1350526804.db2.gz RNQRQBNIRDDQLW-UHFFFAOYSA-N -2 0 325.242 2.438 20 0 EEADRL C[C@H](C(=O)[O-])N(C(=O)c1nn(-c2ccccc2)cc1[O-])C1CCC1 ZINC001603197473 1350660440 /nfs/dbraw/zinc/66/04/40/1350660440.db2.gz LMWMNZLVLOWTHN-LLVKDONJSA-N -2 0 329.356 2.046 20 0 EEADRL C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cn1 ZINC001604049635 1350838665 /nfs/dbraw/zinc/83/86/65/1350838665.db2.gz JHNHPOQKDRMGCD-QMMMGPOBSA-N -2 0 341.414 2.415 20 0 EEADRL C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1ccco1 ZINC001604068821 1350845842 /nfs/dbraw/zinc/84/58/42/1350845842.db2.gz XSZVZHSEKMETCA-QMMMGPOBSA-N -2 0 343.382 2.038 20 0 EEADRL C[C@]1([N-]C(=O)C(F)(F)F)CC[N@H+](Cc2ccc(/C=C/C(=O)[O-])o2)C1 ZINC001604589460 1350965949 /nfs/dbraw/zinc/96/59/49/1350965949.db2.gz PKOLDTSKNDLVQF-NNTXTVRGSA-N -2 0 346.305 2.020 20 0 EEADRL CCCc1c(C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)[nH]c(C)c1C(=O)[O-] ZINC001605363717 1351144360 /nfs/dbraw/zinc/14/43/60/1351144360.db2.gz BOYJQXVTPQLDPS-ONGXEEELSA-N -2 0 336.388 2.157 20 0 EEADRL CCN(CCC(=O)[O-])C(=O)c1cc(Br)cc(F)c1[O-] ZINC001605439583 1351158085 /nfs/dbraw/zinc/15/80/85/1351158085.db2.gz JYHFJYISRPXPBT-UHFFFAOYSA-N -2 0 334.141 2.231 20 0 EEADRL CCc1cc(C2CC2)nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)n1 ZINC001605796044 1351225021 /nfs/dbraw/zinc/22/50/21/1351225021.db2.gz DXZXUMGBMRAPOJ-UHFFFAOYSA-N -2 0 337.357 2.008 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c(N(C)C)n1 ZINC001607810848 1351563797 /nfs/dbraw/zinc/56/37/97/1351563797.db2.gz RHJMJIXNQYDIDO-UHFFFAOYSA-N -2 0 349.412 2.263 20 0 EEADRL O=C([O-])[C@H](CNC(=O)c1cccc(Cl)c1[O-])Cc1ccncc1 ZINC001608425203 1351692430 /nfs/dbraw/zinc/69/24/30/1351692430.db2.gz YLAMDJQGRQZBOT-NSHDSACASA-N -2 0 334.759 2.114 20 0 EEADRL COc1ccncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187548808 1368250573 /nfs/dbraw/zinc/25/05/73/1368250573.db2.gz ZMPKOVNYTMKCNF-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL CC(=O)[N-]S(=O)(=O)c1ccc(Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC001211601721 761052679 /nfs/dbraw/zinc/05/26/79/761052679.db2.gz HNCCSTZIRVCXTH-UHFFFAOYSA-N -2 0 348.380 2.262 20 0 EEADRL CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)nn1C ZINC000817353943 784692954 /nfs/dbraw/zinc/69/29/54/784692954.db2.gz XYJWBNXPODWWFZ-UHFFFAOYSA-N -2 0 337.401 2.098 20 0 EEADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N(CC(=O)[O-])C3CC3)n2)cc1 ZINC000908892370 785807254 /nfs/dbraw/zinc/80/72/54/785807254.db2.gz GOHDQHSORVOBIX-UHFFFAOYSA-N -2 0 343.383 2.391 20 0 EEADRL CO[C@@H]1CCC[C@H]([C@@H](NC(=O)c2ccc([O-])c(Cl)c2)C(=O)[O-])C1 ZINC000909906848 786337369 /nfs/dbraw/zinc/33/73/69/786337369.db2.gz HUIUSYGEMABZCB-DRCTWCGVSA-N -2 0 341.791 2.434 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)C2CC(c3ccc(F)cc3)C2)C1 ZINC000910180961 786513249 /nfs/dbraw/zinc/51/32/49/786513249.db2.gz AGWORHHVBLBNEU-XZNOPERXSA-N -2 0 349.358 2.096 20 0 EEADRL CC[C@H](Cc1ccccc1C)C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910182425 786514405 /nfs/dbraw/zinc/51/44/05/786514405.db2.gz HYURQHZYOVPVFX-FVQBIDKESA-N -2 0 347.411 2.340 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cccc(C(F)F)c2)C1 ZINC000910182434 786514454 /nfs/dbraw/zinc/51/44/54/786514454.db2.gz IDIFFAKLTPYMBR-QWRGUYRKSA-N -2 0 327.283 2.014 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(Cl)ccc1Cl ZINC000910184790 786516469 /nfs/dbraw/zinc/51/64/69/786516469.db2.gz FPLBRLVFNPISIR-WRWORJQWSA-N -2 0 346.166 2.383 20 0 EEADRL CC(C)(CC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000910188841 786521440 /nfs/dbraw/zinc/52/14/40/786521440.db2.gz NNPKWEAURKJYIN-GXTWGEPZSA-N -2 0 333.384 2.131 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc3sccc3c2)C1 ZINC000910192411 786523768 /nfs/dbraw/zinc/52/37/68/786523768.db2.gz PLXFBGVPRFSMBN-NEPJUHHUSA-N -2 0 333.365 2.291 20 0 EEADRL CCCN(C(=O)c1nn(-c2cccc(F)c2)cc1[O-])[C@H](C)C(=O)[O-] ZINC000911709897 787649322 /nfs/dbraw/zinc/64/93/22/787649322.db2.gz XSMITVHHFUCQSQ-SNVBAGLBSA-N -2 0 335.335 2.042 20 0 EEADRL O=C([O-])[C@@H](CC1CC1)[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000844801243 789379643 /nfs/dbraw/zinc/37/96/43/789379643.db2.gz OIEKZHHNWJREBQ-SECBINFHSA-N -2 0 339.747 2.150 20 0 EEADRL Nc1nc(Cl)cc2ncn(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c21 ZINC001176237407 798389936 /nfs/dbraw/zinc/38/99/36/798389936.db2.gz GNXLICOSKFRKKM-UHFFFAOYSA-N -2 0 332.703 2.053 20 0 EEADRL O=C([O-])c1cc(Nc2cncc(Br)n2)cc(C(=O)[O-])c1 ZINC001176236927 798390250 /nfs/dbraw/zinc/39/02/50/798390250.db2.gz BXBIQSUMLLYTHX-UHFFFAOYSA-N -2 0 338.117 2.379 20 0 EEADRL CC(C)([N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-])C(=O)c1ccccc1 ZINC001180176224 800285932 /nfs/dbraw/zinc/28/59/32/800285932.db2.gz RMTCHIPXIGGCEE-UHFFFAOYSA-N -2 0 335.253 2.119 20 0 EEADRL O=P([O-])([O-])c1ccc(NCc2ccccc2-n2cccn2)cc1 ZINC001168974285 803556891 /nfs/dbraw/zinc/55/68/91/803556891.db2.gz MSCJPHVLTIPYFV-UHFFFAOYSA-N -2 0 329.296 2.287 20 0 EEADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cnoc2C)cc1C(=O)[O-] ZINC000790398660 808692871 /nfs/dbraw/zinc/69/28/71/808692871.db2.gz KXIVHCFIPUKXKS-UHFFFAOYSA-N -2 0 346.748 2.144 20 0 EEADRL O=C([O-])CC[C@H]1C[C@@H](C(=O)Nc2cc(F)cc(Cl)c2[O-])CO1 ZINC001595003587 951168451 /nfs/dbraw/zinc/16/84/51/951168451.db2.gz FOSHARJNFRGSAZ-APPZFPTMSA-N -2 0 331.727 2.393 20 0 EEADRL O=C([O-])[C@@H]1CN(C(=O)c2s[n-]c(=O)c2Cl)Cc2ccccc21 ZINC001594953840 954970040 /nfs/dbraw/zinc/97/00/40/954970040.db2.gz PJMRCMIFXCDVQG-SECBINFHSA-N -2 0 338.772 2.326 20 0 EEADRL CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000863962374 955927382 /nfs/dbraw/zinc/92/73/82/955927382.db2.gz JDNWQPZYKNRASA-HZSPNIEDSA-N -2 0 339.413 2.085 20 0 EEADRL CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1(CC(=O)[O-])CCC1 ZINC000863962030 955927640 /nfs/dbraw/zinc/92/76/40/955927640.db2.gz DTHZWPNIRQVQFY-ZDUSSCGKSA-N -2 0 339.413 2.229 20 0 EEADRL C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)C(F)(F)F ZINC000389220616 972212688 /nfs/dbraw/zinc/21/26/88/972212688.db2.gz NBYWSANQVHBAIN-RXMQYKEDSA-N -2 0 331.699 2.267 20 0 EEADRL Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1cc(C(=O)[O-])ccn1 ZINC001594425343 959113074 /nfs/dbraw/zinc/11/30/74/959113074.db2.gz ZECXWLFTUXQUNZ-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001594219232 959353814 /nfs/dbraw/zinc/35/38/14/959353814.db2.gz IDKLDLINXTYYRF-BXKDBHETSA-N -2 0 349.774 2.309 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cccc2c1OCC[C@@H]2O ZINC001198782473 960587480 /nfs/dbraw/zinc/58/74/80/960587480.db2.gz JUXWVVDODBVSBI-ZDUSSCGKSA-N -2 0 349.364 2.002 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccn2)cc1F ZINC000314042002 963703407 /nfs/dbraw/zinc/70/34/07/963703407.db2.gz AGKPAMKTTIEAPK-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000314234818 963729354 /nfs/dbraw/zinc/72/93/54/963729354.db2.gz OHVUGPVMVTYEAY-UHFFFAOYSA-N -2 0 342.354 2.464 20 0 EEADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccccc1-n1cccn1 ZINC000319952440 970594236 /nfs/dbraw/zinc/59/42/36/970594236.db2.gz CHRCJNITDUSDBE-UHFFFAOYSA-N -2 0 349.393 2.433 20 0 EEADRL O=C([O-])[C@H]1CC(C(=O)[N-]OC2CCCCC2)=NN1c1ccccc1 ZINC001605820736 972547617 /nfs/dbraw/zinc/54/76/17/972547617.db2.gz AOUPINVBMMKKLI-OAHLLOKOSA-N -2 0 331.372 2.086 20 0 EEADRL CCC(CC)(CNC(=O)c1ncc(Br)cc1[O-])C(=O)[O-] ZINC001603542056 973596408 /nfs/dbraw/zinc/59/64/08/973596408.db2.gz NKRXRTRJFNLYGP-UHFFFAOYSA-N -2 0 345.193 2.171 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2OCO3)ccc1F ZINC000782261029 978792705 /nfs/dbraw/zinc/79/27/05/978792705.db2.gz HVOBXXGQQXCDRS-UHFFFAOYSA-N -2 0 339.300 2.053 20 0 EEADRL CC[C@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001594882851 982250920 /nfs/dbraw/zinc/25/09/20/982250920.db2.gz ZTVYLNCPEHAKHY-YUMQZZPRSA-N -2 0 349.355 2.150 20 0 EEADRL CCCN(C(=O)c1cccc(Br)c1[O-])[C@H](C)C(=O)[O-] ZINC001595830402 982718574 /nfs/dbraw/zinc/71/85/74/982718574.db2.gz QFMCTKJPRVQQQX-MRVPVSSYSA-N -2 0 330.178 2.480 20 0 EEADRL C[C@H]1CN(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CC[C@H]1C(=O)[O-] ZINC001594478435 985504583 /nfs/dbraw/zinc/50/45/83/985504583.db2.gz BKKQICYSHJMNRL-JOYOIKCWSA-N -2 0 338.335 2.027 20 0 EEADRL CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1cccc(F)c1[O-] ZINC001596912586 985920186 /nfs/dbraw/zinc/92/01/86/985920186.db2.gz VKTOKNCEBBOUGA-NSHDSACASA-N -2 0 327.352 2.121 20 0 EEADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC001589698394 987780779 /nfs/dbraw/zinc/78/07/79/987780779.db2.gz BCKPTIXEYAMACT-LBPRGKRZSA-N -2 0 334.372 2.020 20 0 EEADRL CSc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)ccn1 ZINC001599809769 988314535 /nfs/dbraw/zinc/31/45/35/988314535.db2.gz QLJHYZFQMFNOPM-UHFFFAOYSA-N -2 0 330.412 2.364 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2nc(C)c(C(=O)[O-])s2)c(F)c1 ZINC001599617873 994040861 /nfs/dbraw/zinc/04/08/61/994040861.db2.gz JUOFYTPPYOHAHT-UHFFFAOYSA-N -2 0 346.361 2.098 20 0 EEADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001593865085 996670844 /nfs/dbraw/zinc/67/08/44/996670844.db2.gz MVRJUFSECDWAQW-MRXNPFEDSA-N -2 0 337.397 2.444 20 0 EEADRL CO[C@@]1(C(=O)[O-])CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C1 ZINC001599074861 996840733 /nfs/dbraw/zinc/84/07/33/996840733.db2.gz MZRWNLDBDYGKSU-ZDUSSCGKSA-N -2 0 334.155 2.015 20 0 EEADRL COc1cc(C)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c1C ZINC001599393628 997084224 /nfs/dbraw/zinc/08/42/24/997084224.db2.gz GBVZZABHOZEJKM-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL COCc1cnc([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])s1 ZINC001599297710 997175298 /nfs/dbraw/zinc/17/52/98/997175298.db2.gz RXTATCRPDLAXAG-UHFFFAOYSA-N -2 0 348.427 2.158 20 0 EEADRL COc1cc(/C=C/c2ncncc2C(=O)[O-])ccc1OCCC(=O)[O-] ZINC001599399610 997190405 /nfs/dbraw/zinc/19/04/05/997190405.db2.gz JGYVWOPHYWYLIH-DUXPYHPUSA-N -2 0 344.323 2.207 20 0 EEADRL CO[C@@H]1CCC[C@H]([C@H](NC(=O)c2c([O-])cc(F)cc2F)C(=O)[O-])C1 ZINC001599109303 997537077 /nfs/dbraw/zinc/53/70/77/997537077.db2.gz QITDNZNWZMEUTP-HNXYLICVSA-N -2 0 343.326 2.059 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2cccnc2C(=O)[O-])c(C)cc1C ZINC001599445280 997998304 /nfs/dbraw/zinc/99/83/04/997998304.db2.gz CFTSBWSCFUFQBO-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL CC1=C(C)C[C@@H](C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])CC1 ZINC001594110284 998206711 /nfs/dbraw/zinc/20/67/11/998206711.db2.gz SYSBDXXUOLXXNN-JTQLQIEISA-N -2 0 343.426 2.388 20 0 EEADRL C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001594162569 998608553 /nfs/dbraw/zinc/60/85/53/998608553.db2.gz QXOWVUULRTZOGS-CABZTGNLSA-N -2 0 349.774 2.167 20 0 EEADRL Cc1cc2c(cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1)OCO2 ZINC000357718570 153304492 /nfs/dbraw/zinc/30/44/92/153304492.db2.gz BEHSVQAGHVSQDT-UHFFFAOYSA-N -2 0 341.366 2.284 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)N(C)c1ccccc1C(=O)[O-] ZINC000359659232 164146795 /nfs/dbraw/zinc/14/67/95/164146795.db2.gz GOEFYYRIJSWOIT-UHFFFAOYSA-N -2 0 349.364 2.217 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2O)sc1C(=O)[O-] ZINC000360606092 164349805 /nfs/dbraw/zinc/34/98/05/164349805.db2.gz ZVODJJVGASMBFV-UHFFFAOYSA-N -2 0 331.346 2.400 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)c(C)c1C(=O)[O-] ZINC000375646211 167173982 /nfs/dbraw/zinc/17/39/82/167173982.db2.gz BHKLBBQMVALWKR-UHFFFAOYSA-N -2 0 349.412 2.335 20 0 EEADRL COc1cc(OC)c([N-]S(=O)(=O)c2ccc(C)o2)c(C(=O)[O-])c1 ZINC000536905631 318011771 /nfs/dbraw/zinc/01/17/71/318011771.db2.gz OZLPQZDWLJSGRI-UHFFFAOYSA-N -2 0 341.341 2.104 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cn(C)nc1C(C)C ZINC000336877120 465070267 /nfs/dbraw/zinc/07/02/67/465070267.db2.gz XOJORWSNDBFNCF-UHFFFAOYSA-N -2 0 337.401 2.351 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000054795394 463262785 /nfs/dbraw/zinc/26/27/85/463262785.db2.gz HOUDCHWCISOLQV-UHFFFAOYSA-N -2 0 339.300 2.023 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)cc1 ZINC000170551973 463677819 /nfs/dbraw/zinc/67/78/19/463677819.db2.gz OHTHUMNSRQTDLH-UHFFFAOYSA-N -2 0 337.353 2.290 20 0 EEADRL CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000351746868 465335483 /nfs/dbraw/zinc/33/54/83/465335483.db2.gz HXTTZWVBJKUYIG-UHFFFAOYSA-N -2 0 342.348 2.440 20 0 EEADRL Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000349042568 465936240 /nfs/dbraw/zinc/93/62/40/465936240.db2.gz UUNDLLUAVRLAJA-JTQLQIEISA-N -2 0 337.401 2.108 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2ccsc2)c(C(=O)[O-])cc1OC ZINC000349108625 465974837 /nfs/dbraw/zinc/97/48/37/465974837.db2.gz LWIZTLUBYLMAFV-UHFFFAOYSA-N -2 0 343.382 2.264 20 0 EEADRL CCc1noc2ncc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3)cc12 ZINC000357894886 466297711 /nfs/dbraw/zinc/29/77/11/466297711.db2.gz QTXGVOHUFOQADI-UHFFFAOYSA-N -2 0 347.352 2.284 20 0 EEADRL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000354232602 466403677 /nfs/dbraw/zinc/40/36/77/466403677.db2.gz DELZDXVGDVYQPP-UHFFFAOYSA-N -2 0 331.300 2.155 20 0 EEADRL CCCC[C@@H](NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-])C(=O)[O-] ZINC000347266205 466521887 /nfs/dbraw/zinc/52/18/87/466521887.db2.gz UYMJTOAUHJMJHQ-GFCCVEGCSA-N -2 0 349.362 2.399 20 0 EEADRL COc1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)ccc1F ZINC000319986967 466601460 /nfs/dbraw/zinc/60/14/60/466601460.db2.gz SDWSOFZVUUEPGY-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL Cc1c(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)cnn1C ZINC000323981099 466642324 /nfs/dbraw/zinc/64/23/24/466642324.db2.gz JGICLPKLIQBHES-SNVBAGLBSA-N -2 0 337.401 2.108 20 0 EEADRL Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000433517770 467337584 /nfs/dbraw/zinc/33/75/84/467337584.db2.gz MZUCSXWRQQILFN-UHFFFAOYSA-N -2 0 347.352 2.076 20 0 EEADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])n1 ZINC000653317525 471581889 /nfs/dbraw/zinc/58/18/89/471581889.db2.gz ZKNQOSNPICTSFM-ZWNOBZJWSA-N -2 0 347.346 2.103 20 0 EEADRL C[C@@](CNC(=O)[C@@H](C(=O)[O-])C1CCCC1)(C(=O)[O-])c1ccccc1 ZINC000663120746 472365713 /nfs/dbraw/zinc/36/57/13/472365713.db2.gz RXAIPSJDEHBEQR-KSSFIOAISA-N -2 0 333.384 2.036 20 0 EEADRL COc1cc(/C=C/c2ncc(C(=O)[O-])s2)ccc1OCC(=O)[O-] ZINC000726427722 576262954 /nfs/dbraw/zinc/26/29/54/576262954.db2.gz UVAWHCAQTVVWJG-HWKANZROSA-N -2 0 335.337 2.484 20 0 EEADRL Cn1nc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1C(=O)[O-] ZINC000776428431 577459665 /nfs/dbraw/zinc/45/96/65/577459665.db2.gz ZFJSORXQUVZNFB-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-]C[C@@]1(CC(=O)[O-])CC[C@@H](C)C1 ZINC000776627956 577464831 /nfs/dbraw/zinc/46/48/31/577464831.db2.gz YVCMEJNPNAWZBM-YWVKMMECSA-N -2 0 331.356 2.138 20 0 EEADRL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000758171504 577617518 /nfs/dbraw/zinc/61/75/18/577617518.db2.gz UNUBKYFBBQPCIL-UHFFFAOYSA-N -2 0 337.401 2.044 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2oc(=O)ccc2c1 ZINC000746055456 577921681 /nfs/dbraw/zinc/92/16/81/577921681.db2.gz MJFMZHMKLRZQPV-UHFFFAOYSA-N -2 0 349.320 2.193 20 0 EEADRL O=C([O-])CC[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccccc1 ZINC000739662687 578063189 /nfs/dbraw/zinc/06/31/89/578063189.db2.gz VGIUYVZXWPABQG-CYBMUJFWSA-N -2 0 328.324 2.116 20 0 EEADRL CC(=O)c1cccc(S(=O)(=O)[N-]c2nc(C)c(C(=O)[O-])s2)c1 ZINC000736196824 578186516 /nfs/dbraw/zinc/18/65/16/578186516.db2.gz QAAKDDCVJRUTHL-UHFFFAOYSA-N -2 0 340.382 2.153 20 0 EEADRL C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1cccs1 ZINC000736217522 578187754 /nfs/dbraw/zinc/18/77/54/578187754.db2.gz XTZRUURJJZLEHU-SECBINFHSA-N -2 0 339.394 2.055 20 0 EEADRL CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)c1C ZINC000737312424 578249732 /nfs/dbraw/zinc/24/97/32/578249732.db2.gz NPZIWCPHRKWULD-UHFFFAOYSA-N -2 0 338.389 2.411 20 0 EEADRL C[C@@](CC(=O)NCc1cccc(C(=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC000820071691 598181381 /nfs/dbraw/zinc/18/13/81/598181381.db2.gz DWNUHBKCSQABAD-IBGZPJMESA-N -2 0 341.363 2.434 20 0 EEADRL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000315542908 599736682 /nfs/dbraw/zinc/73/66/82/599736682.db2.gz KPHSCPWRDPKDCI-UHFFFAOYSA-N -2 0 329.305 2.316 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2)o1 ZINC000320028696 600102991 /nfs/dbraw/zinc/10/29/91/600102991.db2.gz JKXVXHLFUHCPED-UHFFFAOYSA-N -2 0 336.369 2.379 20 0 EEADRL CSc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cn1 ZINC000832780953 601229338 /nfs/dbraw/zinc/22/93/38/601229338.db2.gz MPYKDDCMEIQAFU-UHFFFAOYSA-N -2 0 328.371 2.204 20 0 EEADRL Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)s1 ZINC000832995696 601251052 /nfs/dbraw/zinc/25/10/52/601251052.db2.gz HBXADKGEYCLMQH-UHFFFAOYSA-N -2 0 341.414 2.328 20 0 EEADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000833346595 601603203 /nfs/dbraw/zinc/60/32/03/601603203.db2.gz LSSOBGRDCOKOHS-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL CC(C)c1cc([N-]S(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)n[nH]1 ZINC000322187605 601850771 /nfs/dbraw/zinc/85/07/71/601850771.db2.gz IQHYZWRIPVQCDG-VMPITWQZSA-N -2 0 335.385 2.432 20 0 EEADRL CCCCc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n[nH]1 ZINC000829431041 602103100 /nfs/dbraw/zinc/10/31/00/602103100.db2.gz SBJZNAXOLIAROG-UHFFFAOYSA-N -2 0 341.364 2.390 20 0 EEADRL CCC[C@](C)(NC(=O)c1nn(-c2ccccc2F)cc1[O-])C(=O)[O-] ZINC000829194191 602299336 /nfs/dbraw/zinc/29/93/36/602299336.db2.gz YLLPYYZEAPKYQA-INIZCTEOSA-N -2 0 335.335 2.090 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)Nc2c(F)cccc2C(=O)[O-])cs1 ZINC000833304062 602302020 /nfs/dbraw/zinc/30/20/20/602302020.db2.gz OSAQJBPNBYDUAG-UHFFFAOYSA-N -2 0 345.329 2.084 20 0 EEADRL C/C(=C/c1ccccc1Cl)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000833385642 604611845 /nfs/dbraw/zinc/61/18/45/604611845.db2.gz IMMFILBGLSLQFZ-KTKRTIGZSA-N -2 0 345.804 2.054 20 0 EEADRL O=C([O-])c1csc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000833343638 604771471 /nfs/dbraw/zinc/77/14/71/604771471.db2.gz KTSBGMMKZMETFL-UHFFFAOYSA-N -3 0 345.329 2.084 20 0 EEADRL CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000833513169 605187013 /nfs/dbraw/zinc/18/70/13/605187013.db2.gz AKKUGSYYMSGDHR-UHFFFAOYSA-N -2 0 342.352 2.494 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2noc(C(C)(C)C)n2)cc1C(=O)[O-] ZINC000833750826 605586353 /nfs/dbraw/zinc/58/63/53/605586353.db2.gz BMWMCFKMOULZRH-UHFFFAOYSA-N -2 0 339.373 2.175 20 0 EEADRL COCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000319564497 681220691 /nfs/dbraw/zinc/22/06/91/681220691.db2.gz GHKYMVISVQREQG-UHFFFAOYSA-N -2 0 339.344 2.471 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccnn1CC1CCC1 ZINC001185878755 1278846515 /nfs/dbraw/zinc/84/65/15/1278846515.db2.gz COJZVKUZUJQURK-UHFFFAOYSA-N -2 0 349.412 2.491 20 0 EEADRL O=C(Nc1ccc2c(c1)CCO2)c1ccccc1OP(=O)([O-])[O-] ZINC001189888297 1280564992 /nfs/dbraw/zinc/56/49/92/1280564992.db2.gz CJFOSQGUNMAXQH-UHFFFAOYSA-N -2 0 335.252 2.345 20 0 EEADRL O=C(Nc1ccc2[nH][nH]c(=O)c2c1)c1nc(Br)ccc1[O-] ZINC001191742449 1281591241 /nfs/dbraw/zinc/59/12/41/1281591241.db2.gz QROBKNHBRUIDHV-UHFFFAOYSA-N -2 0 349.144 2.384 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ncc2ccccc2n1 ZINC001198739260 1285311985 /nfs/dbraw/zinc/31/19/85/1285311985.db2.gz ORZNHINECPPITM-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL COC(=O)c1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cs1 ZINC001198738652 1285312478 /nfs/dbraw/zinc/31/24/78/1285312478.db2.gz CZXGNWFBAFVCSR-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL O=C([O-])c1cc(-c2nc(-c3ccccc3)no2)cc(S(=O)(=O)[O-])c1 ZINC001216751782 1297277406 /nfs/dbraw/zinc/27/74/06/1297277406.db2.gz LIYSVMOFGWEVRP-UHFFFAOYSA-N -2 0 346.320 2.349 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cn2)cc1C(=O)[O-] ZINC000322170091 1301178647 /nfs/dbraw/zinc/17/86/47/1301178647.db2.gz LQWFDEQKVGHFMU-UHFFFAOYSA-N -2 0 340.332 2.118 20 0 EEADRL O=P([O-])([O-])Oc1ccc(OC[C@H]2COc3ccccc3O2)cc1 ZINC001234339668 1304885573 /nfs/dbraw/zinc/88/55/73/1304885573.db2.gz RKTRQFOZJLJNCK-ZDUSSCGKSA-N -2 0 338.252 2.377 20 0 EEADRL O=C(NCc1nc(=O)o[n-]1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC001116409597 1305882479 /nfs/dbraw/zinc/88/24/79/1305882479.db2.gz UNVVDFMPIOAWQJ-UHFFFAOYSA-N -2 0 345.742 2.319 20 0 EEADRL COC(=O)c1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn2ccnc12 ZINC001242161205 1309622553 /nfs/dbraw/zinc/62/25/53/1309622553.db2.gz QMBJBBYDBRYQTJ-UHFFFAOYSA-N -2 0 340.291 2.184 20 0 EEADRL CS(=O)(=O)Cc1cccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242162956 1309623673 /nfs/dbraw/zinc/62/36/73/1309623673.db2.gz MXFKRCCNWNCQRQ-UHFFFAOYSA-N -2 0 334.349 2.295 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(=O)n(-c3cccnc3)c2)c1 ZINC001242163898 1309624935 /nfs/dbraw/zinc/62/49/35/1309624935.db2.gz QPOLAQFIIUFMPP-UHFFFAOYSA-N -2 0 336.303 2.296 20 0 EEADRL CCOC(=O)c1ccc(OC)c(-c2ccc(P(=O)([O-])[O-])cc2)c1 ZINC001243330556 1309795339 /nfs/dbraw/zinc/79/53/39/1309795339.db2.gz MXEQRQCOBIDIMI-UHFFFAOYSA-N -2 0 336.280 2.342 20 0 EEADRL Cc1cccc2ncc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)n21 ZINC001260223171 1319836543 /nfs/dbraw/zinc/83/65/43/1319836543.db2.gz GSSQHHRSQPXEDJ-UHFFFAOYSA-N -2 0 331.353 2.142 20 0 EEADRL CC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260221989 1319837223 /nfs/dbraw/zinc/83/72/23/1319837223.db2.gz FHGBDGLLJRYAKJ-UHFFFAOYSA-N -2 0 325.367 2.450 20 0 EEADRL Cc1cccc2ncc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)n21 ZINC001260184671 1319818382 /nfs/dbraw/zinc/81/83/82/1319818382.db2.gz WIWGTLYWTXAJSP-UHFFFAOYSA-N -2 0 331.353 2.142 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2O)c1 ZINC001260190561 1319821193 /nfs/dbraw/zinc/82/11/93/1319821193.db2.gz SRGHBYZWQNTWRS-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)s1 ZINC001260221061 1319835496 /nfs/dbraw/zinc/83/54/96/1319835496.db2.gz FHVGBTOZCWAZIU-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)cc1 ZINC001260221652 1319835661 /nfs/dbraw/zinc/83/56/61/1319835661.db2.gz LUDGRNOZFUJNHU-UHFFFAOYSA-N -2 0 343.364 2.371 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2cncc(C)c2)cc1C(=O)[O-] ZINC000391550351 1322928374 /nfs/dbraw/zinc/92/83/74/1322928374.db2.gz REYCDLMVZMDIHD-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL O=C([O-])c1cncc(S(=O)(=O)[N-]c2ccc3ncccc3c2)c1 ZINC001602543850 1350542609 /nfs/dbraw/zinc/54/26/09/1350542609.db2.gz WVHKSLLKJMCXHQ-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL O=C([O-])CC1(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])CCCC1 ZINC001608686427 1351741868 /nfs/dbraw/zinc/74/18/68/1351741868.db2.gz CHNWNJMRLZZAFF-UHFFFAOYSA-N -2 0 347.346 2.234 20 0 EEADRL O=C([O-])c1ccc(O)cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC001608905662 1351790923 /nfs/dbraw/zinc/79/09/23/1351790923.db2.gz LDJOYEQEZCTVPT-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2ccccc2-c2cn[nH]c2)c1 ZINC001608991287 1351809572 /nfs/dbraw/zinc/80/95/72/1351809572.db2.gz OGDAHASYYLITMZ-UHFFFAOYSA-N -2 0 333.325 2.169 20 0 EEADRL CC(C)(C)[C@H](NS(=O)(=O)c1cnc(Cl)cc1Cl)C(=O)[O-] ZINC001320729980 1332941958 /nfs/dbraw/zinc/94/19/58/1332941958.db2.gz QJPCVZMSKKKBHS-SECBINFHSA-N -2 0 341.216 2.166 20 0 EEADRL CC(C)Oc1cccnc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001609714698 1352066442 /nfs/dbraw/zinc/06/64/42/1352066442.db2.gz GIWZCPPPFLOUCF-UHFFFAOYSA-N -2 0 342.398 2.429 20 0 EEADRL CCc1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC)s1 ZINC001610069079 1352154166 /nfs/dbraw/zinc/15/41/66/1352154166.db2.gz KGSFTTUTAWEVCM-UHFFFAOYSA-N -2 0 342.398 2.213 20 0 EEADRL O=C([O-])c1c(F)cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1F ZINC001610807372 1352278417 /nfs/dbraw/zinc/27/84/17/1352278417.db2.gz VGJDIUIDBLCKGW-RKDXNWHRSA-N -2 0 325.267 2.269 20 0 EEADRL Cc1cc(Cl)c(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])cc1C ZINC001600216787 1349995289 /nfs/dbraw/zinc/99/52/89/1349995289.db2.gz JUUVOPVGCWZHSS-UWVGGRQHSA-N -2 0 347.820 2.126 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2nc(C3CC3)cs2)oc1C(=O)[O-] ZINC001600301345 1350014617 /nfs/dbraw/zinc/01/46/17/1350014617.db2.gz DSPXSCYZHYVAQX-UHFFFAOYSA-N -2 0 328.371 2.421 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2cccc(C(=O)[O-])c2)cc1C ZINC001600478179 1350061517 /nfs/dbraw/zinc/06/15/17/1350061517.db2.gz QDNBBGPKYWOZAX-UHFFFAOYSA-N -2 0 347.392 2.049 20 0 EEADRL Cc1nn(C)c([N-]S(=O)(=O)c2cccc(C)c2Cl)c1C(=O)[O-] ZINC001600550528 1350080058 /nfs/dbraw/zinc/08/00/58/1350080058.db2.gz QPWIDEPBHBMGMJ-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C2CCCC2)[nH]n1 ZINC001600836882 1350148350 /nfs/dbraw/zinc/14/83/50/1350148350.db2.gz NPEGTFBMPIKQIA-UHFFFAOYSA-N -2 0 339.373 2.468 20 0 EEADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)CC2CCCCC2)c1 ZINC001601253601 1350242343 /nfs/dbraw/zinc/24/23/43/1350242343.db2.gz BKDCTAKOPZZWBE-UHFFFAOYSA-N -2 0 339.413 2.301 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]C(=O)CCCC2CCCC2)c1 ZINC001601265800 1350244585 /nfs/dbraw/zinc/24/45/85/1350244585.db2.gz RDCXMMYUIPMFAT-UHFFFAOYSA-N -2 0 329.374 2.143 20 0 EEADRL O=C([O-])CC[C@@H]1CCCN(C(=O)CSc2n[n-]c(=S)s2)C1 ZINC001601975690 1350408741 /nfs/dbraw/zinc/40/87/41/1350408741.db2.gz ROAJEFQNKXXVJI-QMMMGPOBSA-N -2 0 347.487 2.022 20 0 EEADRL O=C([O-])CCCC(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001601979606 1350409978 /nfs/dbraw/zinc/40/99/78/1350409978.db2.gz JKPIOHIOEKDSSX-UHFFFAOYSA-N -2 0 348.124 2.480 20 0 EEADRL O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])C1 ZINC001602113023 1350441598 /nfs/dbraw/zinc/44/15/98/1350441598.db2.gz YZQWMHSGNHOBSN-PWSUYJOCSA-N -2 0 347.346 2.090 20 0 EEADRL O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC001602172950 1350457363 /nfs/dbraw/zinc/45/73/63/1350457363.db2.gz OMHWJOFVKDGODR-KWCYVHTRSA-N -2 0 332.356 2.203 20 0 EEADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CC3CCC2CC3)s1 ZINC001602324391 1350494622 /nfs/dbraw/zinc/49/46/22/1350494622.db2.gz LTNHXNJBUNFCGL-SHVIVCPWSA-N -2 0 343.426 2.085 20 0 EEADRL O=C([O-])c1ccccc1CCNC(=O)c1n[n-]c2ccccc2c1=O ZINC001602467944 1350526275 /nfs/dbraw/zinc/52/62/75/1350526275.db2.gz GRYMEXZMDAENLU-UHFFFAOYSA-N -2 0 337.335 2.006 20 0 EEADRL O=C([O-])c1cncc(-c2ccc(CN3C(=O)CC[C@H]3C(=O)[O-])cc2)c1 ZINC001602534750 1350540980 /nfs/dbraw/zinc/54/09/80/1350540980.db2.gz JQJCQFBTBXNSRA-HNNXBMFYSA-N -2 0 340.335 2.022 20 0 EEADRL CC[C@H](C)CO[N-]C(=O)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001604956298 1351038876 /nfs/dbraw/zinc/03/88/76/1351038876.db2.gz UEPSJEPEVPKMRI-ZETCQYMHSA-N -2 0 346.742 2.210 20 0 EEADRL COc1cccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC001607350077 1351480021 /nfs/dbraw/zinc/48/00/21/1351480021.db2.gz GTQJTCZMRUHBSW-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL CSc1ccccc1S(=O)(=O)[N-]c1nc(CC(=O)[O-])cs1 ZINC001607412937 1351490504 /nfs/dbraw/zinc/49/05/04/1351490504.db2.gz SURIGMYGLGUTJX-UHFFFAOYSA-N -2 0 344.439 2.293 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccnn1C(C)(C)C ZINC001607599324 1351521998 /nfs/dbraw/zinc/52/19/98/1351521998.db2.gz FNGCYCBHGZIEDV-UHFFFAOYSA-N -2 0 337.401 2.446 20 0 EEADRL Cc1cc([N-]S(=O)(=O)CCC(=O)[O-])nn1-c1ccccc1Cl ZINC001607695713 1351541503 /nfs/dbraw/zinc/54/15/03/1351541503.db2.gz MOSWJLLLGNCZTD-UHFFFAOYSA-N -2 0 343.792 2.051 20 0 EEADRL Cc1ccc([C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C(=O)[O-])cc1C ZINC001607757607 1351552987 /nfs/dbraw/zinc/55/29/87/1351552987.db2.gz TZDAITWRRDHFNY-ZDUSSCGKSA-N -2 0 341.323 2.101 20 0 EEADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)N(CCC(=O)[O-])C(C)C)n2)c1 ZINC000908964668 785885507 /nfs/dbraw/zinc/88/55/07/785885507.db2.gz USFOPNIPDSDZDA-UHFFFAOYSA-N -2 0 349.362 2.351 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cc3ccccc3s2)C1 ZINC000910186614 786518522 /nfs/dbraw/zinc/51/85/22/786518522.db2.gz SJSIYYMDVLOOBD-QWRGUYRKSA-N -2 0 333.365 2.291 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cc1cccc2ccccc21 ZINC000910186279 786518662 /nfs/dbraw/zinc/51/86/62/786518662.db2.gz PNYJTBSPEBCCKV-GOEBONIOSA-N -2 0 341.363 2.159 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc2ccccc2s1 ZINC000910186615 786518838 /nfs/dbraw/zinc/51/88/38/786518838.db2.gz SJSIYYMDVLOOBD-WDEREUQCSA-N -2 0 333.365 2.291 20 0 EEADRL CCCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)cn1 ZINC000156345243 789070767 /nfs/dbraw/zinc/07/07/67/789070767.db2.gz JRMCIPMATASFMU-UHFFFAOYSA-N -2 0 341.364 2.240 20 0 EEADRL CCOC(=O)c1ncsc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176237784 798390062 /nfs/dbraw/zinc/39/00/62/798390062.db2.gz BANNRMYXEFKSGL-UHFFFAOYSA-N -2 0 336.325 2.460 20 0 EEADRL CCOc1cc(C(N)=O)ccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176237583 798390153 /nfs/dbraw/zinc/39/01/53/798390153.db2.gz JUXZPAWQEMPLJH-UHFFFAOYSA-N -2 0 344.323 2.324 20 0 EEADRL CN1CCc2cc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)ccc2C1=O ZINC001176244759 798393096 /nfs/dbraw/zinc/39/30/96/798393096.db2.gz NZLMRVVHJAVNCH-UHFFFAOYSA-N -2 0 340.335 2.455 20 0 EEADRL Cc1cc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001181253905 800730286 /nfs/dbraw/zinc/73/02/86/800730286.db2.gz LULWTHTXXGHKSS-UHFFFAOYSA-N -2 0 342.359 2.017 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)nc1 ZINC001602385929 971192756 /nfs/dbraw/zinc/19/27/56/971192756.db2.gz NNZHYLILHPAIMR-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000325528139 971223656 /nfs/dbraw/zinc/22/36/56/971223656.db2.gz QOEJMLIJFQXCDS-UHFFFAOYSA-N -2 0 349.364 2.333 20 0 EEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)n1 ZINC000389784188 972246520 /nfs/dbraw/zinc/24/65/20/972246520.db2.gz WIFVNWCFMJBRKC-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000042360199 957411595 /nfs/dbraw/zinc/41/15/95/957411595.db2.gz IEKVLFKWDWIAQX-UHFFFAOYSA-N -2 0 331.346 2.395 20 0 EEADRL O=C([O-])CC[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000058082461 957555464 /nfs/dbraw/zinc/55/54/64/957555464.db2.gz NBLVRLBJAAWLLQ-SECBINFHSA-N -2 0 334.250 2.145 20 0 EEADRL COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ncccc1C(=O)[O-] ZINC001594046868 957937221 /nfs/dbraw/zinc/93/72/21/957937221.db2.gz CUFHEGHPRAIDSN-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cccc(Cl)n2)c1C(=O)[O-] ZINC000149706915 959023656 /nfs/dbraw/zinc/02/36/56/959023656.db2.gz JDLLRLBCCIHOGN-UHFFFAOYSA-N -2 0 330.749 2.444 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)s1 ZINC000314642522 963783107 /nfs/dbraw/zinc/78/31/07/963783107.db2.gz CECGCXCJBNCIJK-UHFFFAOYSA-N -3 0 345.329 2.084 20 0 EEADRL CC[C@H](CNC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C(=O)[O-] ZINC001603567602 973698114 /nfs/dbraw/zinc/69/81/14/973698114.db2.gz FQDOVXJCRKLOMB-SECBINFHSA-N -2 0 337.763 2.072 20 0 EEADRL CC(C)n1cc(S(=O)(=O)[N-]c2ncc(C(=O)[O-])cc2Cl)cn1 ZINC001592131093 976963436 /nfs/dbraw/zinc/96/34/36/976963436.db2.gz MZVNWCLIFDAPPC-UHFFFAOYSA-N -2 0 344.780 2.011 20 0 EEADRL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cc(C)cc(C(=O)[O-])c1 ZINC000795365176 978831935 /nfs/dbraw/zinc/83/19/35/978831935.db2.gz HCUWTJLZPSPYAK-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL C[C@@H](CS(=O)(=O)[N-][C@H](c1cccc(Cl)c1)C(F)F)C(=O)[O-] ZINC001592808717 979485104 /nfs/dbraw/zinc/48/51/04/979485104.db2.gz URKOBGXUNCPNLA-OIBJUYFYSA-N -2 0 341.763 2.286 20 0 EEADRL C[C@H](CS(=O)(=O)[N-][C@H](c1ccc(F)cc1)C(F)(F)F)C(=O)[O-] ZINC001592817075 979518784 /nfs/dbraw/zinc/51/87/84/979518784.db2.gz VKNWHVJAJDGUEA-GMSGAONNSA-N -2 0 343.298 2.069 20 0 EEADRL CCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001595571533 981480114 /nfs/dbraw/zinc/48/01/14/981480114.db2.gz RXZZKOXCKONVGE-QMMMGPOBSA-N -2 0 349.355 2.294 20 0 EEADRL CCCCCc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)s1 ZINC001595726792 982347719 /nfs/dbraw/zinc/34/77/19/982347719.db2.gz ABDZHSGVWKTMMU-UHFFFAOYSA-N -2 0 345.402 2.363 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)c(F)c1 ZINC000926547315 982904141 /nfs/dbraw/zinc/90/41/41/982904141.db2.gz CBDCVOLGOOYSGN-JTQLQIEISA-N -2 0 341.282 2.143 20 0 EEADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C(C)(C)c1cccc2ccccc21 ZINC001589495962 987077173 /nfs/dbraw/zinc/07/71/73/987077173.db2.gz UCTBWPSQMYAXNF-NSHDSACASA-N -2 0 349.408 2.037 20 0 EEADRL CC(C)(C(=O)[O-])c1csc([N-]S(=O)(=O)c2ccc(F)cc2)n1 ZINC001589657227 987629843 /nfs/dbraw/zinc/62/98/43/987629843.db2.gz UVISFCZVUZFGSG-UHFFFAOYSA-N -2 0 344.389 2.445 20 0 EEADRL CCc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cn(CC)cn2)s1 ZINC001597444812 987813714 /nfs/dbraw/zinc/81/37/14/987813714.db2.gz BOJXJEBCPLFSRL-UHFFFAOYSA-N -2 0 329.403 2.026 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccnc(SC)c1 ZINC001597790780 989314817 /nfs/dbraw/zinc/31/48/17/989314817.db2.gz JGCYACJUGKSPOU-UHFFFAOYSA-N -2 0 342.398 2.458 20 0 EEADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC001593865096 996670743 /nfs/dbraw/zinc/67/07/43/996670743.db2.gz NNAQDVZCJIUDTM-SFHVURJKSA-N -2 0 349.383 2.047 20 0 EEADRL CC1(C)Cc2cccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cn3)c2O1 ZINC001593968691 997122083 /nfs/dbraw/zinc/12/20/83/997122083.db2.gz ITWZGHCSHVCDPC-UHFFFAOYSA-N -2 0 348.380 2.294 20 0 EEADRL COCc1ccnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC001599296229 997147902 /nfs/dbraw/zinc/14/79/02/997147902.db2.gz GSCWRAAAPJVUPP-UHFFFAOYSA-N -2 0 336.369 2.035 20 0 EEADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001599426912 997691681 /nfs/dbraw/zinc/69/16/81/997691681.db2.gz OLJUYZPPLDDWIA-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001599535702 997740665 /nfs/dbraw/zinc/74/06/65/997740665.db2.gz JCSFDUXQOUFKAG-UHFFFAOYSA-N -2 0 325.342 2.404 20 0 EEADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC001594210598 998817667 /nfs/dbraw/zinc/81/76/67/998817667.db2.gz SGOHUNXYIJYCPB-SFYZADRCSA-N -2 0 342.298 2.238 20 0 EEADRL C[C@@H]1CCCc2nc(S(=O)(=O)[N-]c3sccc3C(=O)[O-])cn21 ZINC001594389365 999475210 /nfs/dbraw/zinc/47/52/10/999475210.db2.gz XBHFPHYBAXWTPS-MRVPVSSYSA-N -2 0 341.414 2.341 20 0 EEADRL O=C([O-])CCCN1Cc2sc(C(=O)[O-])c(Br)c2C1 ZINC001601991056 1118769840 /nfs/dbraw/zinc/76/98/40/1118769840.db2.gz SCOHHMBAAOZDQF-UHFFFAOYSA-N -2 0 334.191 2.389 20 0 EEADRL Cc1ccc(CO)cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000438748982 242046296 /nfs/dbraw/zinc/04/62/96/242046296.db2.gz AGBJJUIVHHTEEN-UHFFFAOYSA-N -2 0 327.383 2.048 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)c(F)c1 ZINC000320756318 160536997 /nfs/dbraw/zinc/53/69/97/160536997.db2.gz IXSICKLXLWGNNJ-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cnn1CC(C)C ZINC000346489345 161376532 /nfs/dbraw/zinc/37/65/32/161376532.db2.gz SFKNRXPFYYCUGX-UHFFFAOYSA-N -2 0 343.430 2.408 20 0 EEADRL COc1cccc(F)c1NS(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000359077044 164052762 /nfs/dbraw/zinc/05/27/62/164052762.db2.gz XHKHVKNLQWINSA-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL Cc1ccc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000360862329 164392551 /nfs/dbraw/zinc/39/25/51/164392551.db2.gz VNQLZQUALLZQQG-UHFFFAOYSA-N -2 0 349.364 2.121 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N(C)c1ccc(C(=O)[O-])cc1 ZINC000437666194 315046219 /nfs/dbraw/zinc/04/62/19/315046219.db2.gz JNAXTGUTMLIVOZ-UHFFFAOYSA-N -2 0 349.364 2.217 20 0 EEADRL CC(C)(C)[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1F)CC(=O)[O-] ZINC000547878986 318331470 /nfs/dbraw/zinc/33/14/70/318331470.db2.gz CRMBRQLSZOXCSK-SECBINFHSA-N -2 0 335.372 2.380 20 0 EEADRL CCc1ccc([C@H]([N-]S(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-])cc1 ZINC000548528273 318394657 /nfs/dbraw/zinc/39/46/57/318394657.db2.gz AEWDPIQLLPEHOY-KCJUWKMLSA-N -2 0 339.335 2.245 20 0 EEADRL Cc1cc(S(=O)(=O)N(C)c2ccc(C(=O)[O-])cc2)ccc1C(=O)[O-] ZINC000350893383 465032242 /nfs/dbraw/zinc/03/22/42/465032242.db2.gz GTRMEOXQWLRMQN-UHFFFAOYSA-N -2 0 349.364 2.217 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)cs1 ZINC000336852514 465052460 /nfs/dbraw/zinc/05/24/60/465052460.db2.gz SAWCFCXCNWVCKG-UHFFFAOYSA-N -2 0 340.338 2.094 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)cc1F ZINC000336876544 465069917 /nfs/dbraw/zinc/06/99/17/465069917.db2.gz SZANMXJHIAHBBA-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cccc3c2CCO3)sc1C(=O)[O-] ZINC000358491245 465155743 /nfs/dbraw/zinc/15/57/43/465155743.db2.gz JEMKQZLUJJJLQO-UHFFFAOYSA-N -2 0 339.394 2.490 20 0 EEADRL COC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000013278795 462889598 /nfs/dbraw/zinc/88/95/98/462889598.db2.gz ZWOZQXQKVLOIJP-UHFFFAOYSA-N -2 0 349.364 2.281 20 0 EEADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc3c2OCCO3)c1 ZINC000071818284 463430475 /nfs/dbraw/zinc/43/04/75/463430475.db2.gz DIVMUSUZTOKYEG-UHFFFAOYSA-N -2 0 341.366 2.018 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c(C(=O)[O-])c1 ZINC000342954064 465411784 /nfs/dbraw/zinc/41/17/84/465411784.db2.gz VVGNTQCXYFJWJQ-UHFFFAOYSA-N -3 0 341.366 2.254 20 0 EEADRL COc1ccsc1S(=O)(=O)[N-]c1cc(OC)ccc1C(=O)[O-] ZINC000348477017 465624949 /nfs/dbraw/zinc/62/49/49/465624949.db2.gz PSDLLVGPJCUEFU-UHFFFAOYSA-N -2 0 343.382 2.264 20 0 EEADRL COc1ccc(O)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1 ZINC000357387466 465996855 /nfs/dbraw/zinc/99/68/55/465996855.db2.gz WANOIHAAGDUWOH-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL CC(C)Oc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cn1 ZINC000340337060 466001725 /nfs/dbraw/zinc/00/17/25/466001725.db2.gz QGQYUKXKRRHDGU-UHFFFAOYSA-N -2 0 342.398 2.429 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc2c1OCCO2 ZINC000357549095 466124873 /nfs/dbraw/zinc/12/48/73/466124873.db2.gz KEKMUMMZRGTQQG-UHFFFAOYSA-N -2 0 349.364 2.265 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cnn(C(F)F)c1 ZINC000361772078 466275398 /nfs/dbraw/zinc/27/53/98/466275398.db2.gz LOULFKRAWLIFAQ-UHFFFAOYSA-N -2 0 331.300 2.086 20 0 EEADRL CCc1noc2ncc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3)cc12 ZINC000357880425 466284323 /nfs/dbraw/zinc/28/43/23/466284323.db2.gz GJUUEBOHCKDQSL-UHFFFAOYSA-N -2 0 347.352 2.284 20 0 EEADRL Cc1oncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000350276475 466447385 /nfs/dbraw/zinc/44/73/85/466447385.db2.gz BVPSHAGZASNEIY-UHFFFAOYSA-N -2 0 330.749 2.444 20 0 EEADRL COc1cccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)c1 ZINC000436781881 467554148 /nfs/dbraw/zinc/55/41/48/467554148.db2.gz LQOLVULDGBHEPS-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL CC[C@H](NC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-])C(=O)[O-] ZINC000647254840 470868154 /nfs/dbraw/zinc/86/81/54/470868154.db2.gz APRFWGXVLPEZLU-ZDUSSCGKSA-N -2 0 331.372 2.294 20 0 EEADRL CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)cc1 ZINC000776428327 577459688 /nfs/dbraw/zinc/45/96/88/577459688.db2.gz YBBFFBODWUCCKK-JTQLQIEISA-N -2 0 337.401 2.433 20 0 EEADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-]C[C@H](CC(=O)[O-])c1ccccc1 ZINC000776571220 577462804 /nfs/dbraw/zinc/46/28/04/577462804.db2.gz MEVCEMUURWMVTK-ONGXEEELSA-N -2 0 339.335 2.115 20 0 EEADRL CCCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)cn1 ZINC000743264691 577882451 /nfs/dbraw/zinc/88/24/51/577882451.db2.gz YDQXQKALJVQFIG-UHFFFAOYSA-N -2 0 349.412 2.281 20 0 EEADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c1C(=O)[O-] ZINC000738829813 578028055 /nfs/dbraw/zinc/02/80/55/578028055.db2.gz RHNQGTYMCFMZPS-UHFFFAOYSA-N -2 0 333.728 2.010 20 0 EEADRL CC(C)C[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736403496 578201349 /nfs/dbraw/zinc/20/13/49/578201349.db2.gz GNNGVHVIMOFHDM-SECBINFHSA-N -2 0 333.431 2.324 20 0 EEADRL CCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c(C(=O)[O-])c1 ZINC000737264478 578246880 /nfs/dbraw/zinc/24/68/80/578246880.db2.gz COHQXXBZTKSJDN-UHFFFAOYSA-N -3 0 339.325 2.039 20 0 EEADRL COc1cc(F)c(S(=O)(=O)[N-]c2cc(C)[nH]c2C(=O)[O-])c(F)c1 ZINC000737889916 578271988 /nfs/dbraw/zinc/27/19/88/578271988.db2.gz RVDOABIANPFUAF-UHFFFAOYSA-N -2 0 346.311 2.109 20 0 EEADRL Cc1cc(F)ccc1S(=O)(=O)[N-]c1nc(CC(=O)[O-])cs1 ZINC000037376118 600050599 /nfs/dbraw/zinc/05/05/99/600050599.db2.gz ZDQMCUSYCNPIMS-UHFFFAOYSA-N -2 0 330.362 2.019 20 0 EEADRL Cn1ccc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])n1 ZINC000316026387 600051031 /nfs/dbraw/zinc/05/10/31/600051031.db2.gz UJMUPUKJAAQEJW-UHFFFAOYSA-N -2 0 337.382 2.134 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cn2)o1 ZINC000833323541 600989470 /nfs/dbraw/zinc/98/94/70/600989470.db2.gz MWFRSEXEEXTTBH-UHFFFAOYSA-N -2 0 337.140 2.480 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2n[nH]c3ccc(F)cc32)cs1 ZINC000833306440 601202448 /nfs/dbraw/zinc/20/24/48/601202448.db2.gz SYUXBJMGCDYIBX-UHFFFAOYSA-N -2 0 341.345 2.263 20 0 EEADRL Cc1cc(F)cc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)c1 ZINC000832887759 601358917 /nfs/dbraw/zinc/35/89/17/601358917.db2.gz DPBMLQNSBCAOHM-UHFFFAOYSA-N -2 0 330.362 2.019 20 0 EEADRL COc1ccc(C)nc1[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000832265208 601362767 /nfs/dbraw/zinc/36/27/67/601362767.db2.gz LGOHPGBGEFRLSL-UHFFFAOYSA-N -2 0 340.357 2.107 20 0 EEADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cc(Cl)ccn1 ZINC000833318681 601769575 /nfs/dbraw/zinc/76/95/75/601769575.db2.gz UJLJFBFERXAZHD-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cnc3ccccc3n2)c1 ZINC000833318609 601848086 /nfs/dbraw/zinc/84/80/86/601848086.db2.gz RSZDIJKEPKUYFM-UHFFFAOYSA-N -2 0 347.327 2.268 20 0 EEADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(C3CC3)[nH]n2)c1 ZINC000833297068 602306745 /nfs/dbraw/zinc/30/67/45/602306745.db2.gz HWSIYDZCQWUBOK-UHFFFAOYSA-N -2 0 341.776 2.440 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3[nH]2)cc1C(=O)[O-] ZINC000320530392 604509422 /nfs/dbraw/zinc/50/94/22/604509422.db2.gz CCDYRWZGUPBGDK-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833660245 604688315 /nfs/dbraw/zinc/68/83/15/604688315.db2.gz HQEZBHSCWDXMDQ-UHFFFAOYSA-N -2 0 340.332 2.118 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2n[nH]c3c2cccc3Cl)c[nH]1 ZINC000833306275 605014603 /nfs/dbraw/zinc/01/46/03/605014603.db2.gz MMXBHUMOACNRNZ-UHFFFAOYSA-N -2 0 340.748 2.043 20 0 EEADRL COCc1ccc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])cc1 ZINC000833725651 605041344 /nfs/dbraw/zinc/04/13/44/605041344.db2.gz DISCWWRUOJIISY-UHFFFAOYSA-N -2 0 327.383 2.394 20 0 EEADRL CC(C)(C)[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1nc(=O)o[n-]1 ZINC001412269131 1205681762 /nfs/dbraw/zinc/68/17/62/1205681762.db2.gz PKIPINHPOMTAKT-SNVBAGLBSA-N -2 0 325.752 2.239 20 0 EEADRL CCc1oncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000800844138 1234666306 /nfs/dbraw/zinc/66/63/06/1234666306.db2.gz HDYOZYRFGXBYBO-UHFFFAOYSA-N -2 0 332.284 2.014 20 0 EEADRL Cc1cccc2ncc(NC(=O)c3ccccc3OP(=O)([O-])[O-])n21 ZINC001189870192 1280529477 /nfs/dbraw/zinc/52/94/77/1280529477.db2.gz AVVHNAHKHGCERB-UHFFFAOYSA-N -2 0 347.267 2.367 20 0 EEADRL C[C@H](CCCC(C)(C)O)NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189899490 1280571089 /nfs/dbraw/zinc/57/10/89/1280571089.db2.gz COQLAWZHQJWOLM-LLVKDONJSA-N -2 0 345.332 2.218 20 0 EEADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccn3nccc3c2)cc1 ZINC001192109574 1281803094 /nfs/dbraw/zinc/80/30/94/1281803094.db2.gz GAWPTXFPHWKUKE-UHFFFAOYSA-N -2 0 345.380 2.152 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cnccc1OC(F)F ZINC001198746572 1285316741 /nfs/dbraw/zinc/31/67/41/1285316741.db2.gz FNBWQJWYBIUTDJ-UHFFFAOYSA-N -2 0 344.295 2.182 20 0 EEADRL CC(=O)c1cccc(O)c1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198782693 1285328286 /nfs/dbraw/zinc/32/82/86/1285328286.db2.gz MPHNWCWSNGIJLJ-UHFFFAOYSA-N -2 0 335.337 2.094 20 0 EEADRL CC(C)OC(=O)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nn1 ZINC001242159460 1309622649 /nfs/dbraw/zinc/62/26/49/1309622649.db2.gz LCKZTINAKOENIJ-UHFFFAOYSA-N -2 0 330.296 2.105 20 0 EEADRL CN1C(=O)NCc2cc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)ccc21 ZINC001242164001 1309624992 /nfs/dbraw/zinc/62/49/92/1309624992.db2.gz WLLXILFLKOHHRZ-UHFFFAOYSA-N -2 0 326.308 2.409 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccn(-c3cccnc3)c2=O)c1 ZINC001242163887 1309625271 /nfs/dbraw/zinc/62/52/71/1309625271.db2.gz QFNWZFYERCZJNJ-UHFFFAOYSA-N -2 0 336.303 2.296 20 0 EEADRL Cc1ccc(-c2cc(=O)n(-c3cccc(S(=O)(=O)[O-])c3)[n-]2)cn1 ZINC001245950017 1310194464 /nfs/dbraw/zinc/19/44/64/1310194464.db2.gz VATZHYKGFKCLBO-UHFFFAOYSA-N -2 0 331.353 2.195 20 0 EEADRL CCOc1ccc2ccccc2c1C(=O)NCCOP(=O)([O-])[O-] ZINC001149685277 1316014516 /nfs/dbraw/zinc/01/45/16/1316014516.db2.gz UQGJGQATELVBKK-UHFFFAOYSA-N -2 0 339.284 2.078 20 0 EEADRL Cc1cc(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1O ZINC001260215490 1319833692 /nfs/dbraw/zinc/83/36/92/1319833692.db2.gz CFEMESJULKSOLG-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL O=C([O-])c1ccc(Cl)c(C(=O)[N-]S(=O)(=O)c2ccsc2)c1 ZINC001602355891 1350502453 /nfs/dbraw/zinc/50/24/53/1350502453.db2.gz FCUGZJIJXDHKCJ-UHFFFAOYSA-N -2 0 345.785 2.218 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cc3c(cn2)CCCC3)oc1C(=O)[O-] ZINC001607708383 1351543727 /nfs/dbraw/zinc/54/37/27/1351543727.db2.gz YWYFJJKAVPBLCM-UHFFFAOYSA-N -2 0 336.369 2.361 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(C(C)(C)C(=O)[O-])c2)cc1C ZINC001607823425 1351565589 /nfs/dbraw/zinc/56/55/89/1351565589.db2.gz ZDIUYCDATRCLJH-UHFFFAOYSA-N -2 0 337.401 2.120 20 0 EEADRL Cc1cc([C@H](NCC(=O)[N-]OCc2ccccc2)C(=O)[O-])ccc1F ZINC001607612407 1351525387 /nfs/dbraw/zinc/52/53/87/1351525387.db2.gz NQWGDWMDJXQUHB-KRWDZBQOSA-N -2 0 346.358 2.097 20 0 EEADRL C[C@@H]1CC=C(C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CC1 ZINC001609844791 1352099446 /nfs/dbraw/zinc/09/94/46/1352099446.db2.gz MMCCNLSFAZKXGT-LLVKDONJSA-N -2 0 337.397 2.077 20 0 EEADRL COc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC001610288090 1352200302 /nfs/dbraw/zinc/20/03/02/1352200302.db2.gz BUTRBFZWNBFNST-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)ccc1Cl ZINC001610304175 1352202967 /nfs/dbraw/zinc/20/29/67/1352202967.db2.gz YVLFLNBHQRIXMN-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL Cc1c(C(=O)[O-])sc2nc(C)nc(NC3CCC(C(=O)[O-])CC3)c12 ZINC001610560210 1352245045 /nfs/dbraw/zinc/24/50/45/1352245045.db2.gz IKEDVKMCVMMHBN-UHFFFAOYSA-N -2 0 349.412 2.484 20 0 EEADRL O=C([O-])c1c(F)ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1F ZINC001610807271 1352278282 /nfs/dbraw/zinc/27/82/82/1352278282.db2.gz TUNXAAVRFJRYFF-YUMQZZPRSA-N -2 0 325.267 2.269 20 0 EEADRL O=S(=O)([N-]c1ccc(C2CC2)cc1)c1ccc(-c2nnn[n-]2)o1 ZINC001593445369 1349801394 /nfs/dbraw/zinc/80/13/94/1349801394.db2.gz KWMPFHAZSWLXSH-UHFFFAOYSA-N -2 0 331.357 2.138 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2nnc(C(C)(C)C)o2)ccc1C(=O)[O-] ZINC001600301310 1350014506 /nfs/dbraw/zinc/01/45/06/1350014506.db2.gz BLBTXNMOEVQSDK-UHFFFAOYSA-N -2 0 339.373 2.175 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2nnc(CC(C)(C)C)o2)oc1C(=O)[O-] ZINC001600301134 1350014737 /nfs/dbraw/zinc/01/47/37/1350014737.db2.gz VZCLUQTXRDULLV-UHFFFAOYSA-N -2 0 343.361 2.059 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cnn2c1CCCC2 ZINC001600655208 1350108492 /nfs/dbraw/zinc/10/84/92/1350108492.db2.gz UCAGVOQBDMRUCC-UHFFFAOYSA-N -2 0 341.414 2.088 20 0 EEADRL Cc1occc1-c1cc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)no1 ZINC001600859220 1350154535 /nfs/dbraw/zinc/15/45/35/1350154535.db2.gz KFVNENBWGOGKJM-UHFFFAOYSA-N -2 0 349.324 2.137 20 0 EEADRL O=C([O-])[C@H](C[C@H]1CCCOC1)NC(=O)c1cc(F)cc(Cl)c1[O-] ZINC001601413858 1350279197 /nfs/dbraw/zinc/27/91/97/1350279197.db2.gz YIPKXMBJNNXCLO-PELKAZGASA-N -2 0 345.754 2.184 20 0 EEADRL O=C([O-])[C@@H]1CCN(C(=O)c2s[n-]c(=O)c2Cl)[C@@H]2CCC[C@H]21 ZINC001601827258 1350374438 /nfs/dbraw/zinc/37/44/38/1350374438.db2.gz VGQPAGCKUJDBLF-XLPZGREQSA-N -2 0 330.793 2.218 20 0 EEADRL O=C([O-])CC[C@H]1CCCN(C(=O)CCc2ccc(C(=O)[O-])cc2)C1 ZINC001601975666 1350408579 /nfs/dbraw/zinc/40/85/79/1350408579.db2.gz PKRNKRWNTKQKTA-CQSZACIVSA-N -2 0 333.384 2.421 20 0 EEADRL O=C([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(F)nc1 ZINC001602268443 1350482074 /nfs/dbraw/zinc/48/20/74/1350482074.db2.gz ZBINUEYFLCAPFX-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)ccc1O ZINC001602297711 1350487796 /nfs/dbraw/zinc/48/77/96/1350487796.db2.gz BHFNVVSKJAVTIH-UHFFFAOYSA-N -2 0 332.337 2.373 20 0 EEADRL O=C([O-])c1cccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC001602433200 1350518647 /nfs/dbraw/zinc/51/86/47/1350518647.db2.gz HLLMFSGNTHDASI-UHFFFAOYSA-N -2 0 345.785 2.218 20 0 EEADRL O=C([O-])c1cncc(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])c1 ZINC001602541880 1350542189 /nfs/dbraw/zinc/54/21/89/1350542189.db2.gz OXFYQCZGOPNKTE-UHFFFAOYSA-N -2 0 342.286 2.063 20 0 EEADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1csc2ccccc12 ZINC001603191088 1350659948 /nfs/dbraw/zinc/65/99/48/1350659948.db2.gz ZGMFZRPLULLALJ-BDAKNGLRSA-N -2 0 341.410 2.070 20 0 EEADRL CC(C)(C(=O)[O-])c1csc([N-]S(=O)(=O)c2cccs2)n1 ZINC001603281148 1350678775 /nfs/dbraw/zinc/67/87/75/1350678775.db2.gz NUJQBOASHWXICP-UHFFFAOYSA-N -2 0 332.428 2.368 20 0 EEADRL CC(C)(C)c1nnc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])o1 ZINC001603562393 1350719771 /nfs/dbraw/zinc/71/97/71/1350719771.db2.gz PUYPGSPLGQHITO-UHFFFAOYSA-N -2 0 343.336 2.005 20 0 EEADRL CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001603746458 1350756982 /nfs/dbraw/zinc/75/69/82/1350756982.db2.gz VVQCQNGKCMTOOY-PSLIRLAXSA-N -2 0 327.283 2.348 20 0 EEADRL CC1(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CCCCC1 ZINC001604487771 1350948035 /nfs/dbraw/zinc/94/80/35/1350948035.db2.gz JODPAHPJSSPPAB-UHFFFAOYSA-N -2 0 339.413 2.301 20 0 EEADRL C[C@@H]1CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001604723411 1350991806 /nfs/dbraw/zinc/99/18/06/1350991806.db2.gz ANDXSEFBKCTISM-VXGBXAGGSA-N -2 0 339.413 2.406 20 0 EEADRL C[C@H]1CN(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)C[C@]1(C)C(=O)[O-] ZINC001607471011 1351498940 /nfs/dbraw/zinc/49/89/40/1351498940.db2.gz RCLSFPARXSPAHN-PCPUYYKTSA-N -2 0 346.383 2.052 20 0 EEADRL Cc1cccc([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])n1 ZINC001607858361 1351573337 /nfs/dbraw/zinc/57/33/37/1351573337.db2.gz RSMHCMZFHVBZMU-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL Cc1n[nH]c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)ccc12 ZINC001608057338 1351615906 /nfs/dbraw/zinc/61/59/06/1351615906.db2.gz WPJKAIBSJCHGTG-UHFFFAOYSA-N -2 0 335.341 2.272 20 0 EEADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H]1C[C@@H](CCC(=O)[O-])C1(C)C ZINC000849457522 1373258903 /nfs/dbraw/zinc/25/89/03/1373258903.db2.gz HAFSUOKMSRLYGL-YIZRAAEISA-N -2 0 331.356 2.136 20 0 EEADRL CC[C@@H](C)[C@H](C)C(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000182933773 780072306 /nfs/dbraw/zinc/07/23/06/780072306.db2.gz RJTJFGBSUWLJLF-NEPJUHHUSA-N -2 0 330.388 2.021 20 0 EEADRL COC(=O)[C@H](c1ccc(NCCOP(=O)([O-])[O-])cc1)C(C)C ZINC001168591906 790789538 /nfs/dbraw/zinc/78/95/38/790789538.db2.gz IBDWSMXSDKZOCB-ZDUSSCGKSA-N -2 0 331.305 2.120 20 0 EEADRL COc1cc(NCCOP(=O)([O-])[O-])ccc1-c1cnc(C)o1 ZINC001168594773 790995705 /nfs/dbraw/zinc/99/57/05/790995705.db2.gz ABZMJXARDYHJEW-UHFFFAOYSA-N -2 0 328.261 2.180 20 0 EEADRL CSc1ccc(O)c(C(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)c1 ZINC000820099939 785788787 /nfs/dbraw/zinc/78/87/87/785788787.db2.gz POHUZAJUIWGAMD-UHFFFAOYSA-N -2 0 349.412 2.014 20 0 EEADRL CC[C@H](Cc1ccccc1C)C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910182424 786514581 /nfs/dbraw/zinc/51/45/81/786514581.db2.gz HYURQHZYOVPVFX-BMFZPTHFSA-N -2 0 347.411 2.340 20 0 EEADRL Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c(Cl)c1C ZINC000910182298 786514623 /nfs/dbraw/zinc/51/46/23/786514623.db2.gz GOABFTBJWLPCCA-PWSUYJOCSA-N -2 0 339.775 2.347 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cccc(C2CCC2)c1 ZINC000910183498 786515240 /nfs/dbraw/zinc/51/52/40/786515240.db2.gz LMFOWGJNAZJWPI-LSDHHAIUSA-N -2 0 331.368 2.344 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)CC/C=C\c2ccccc2)C1 ZINC000910187524 786519299 /nfs/dbraw/zinc/51/92/99/786519299.db2.gz DNNBNZJHKOBOMV-VFXHQOSVSA-N -2 0 331.368 2.256 20 0 EEADRL CC(C)(C)c1ccc(CC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1 ZINC000910187047 786519347 /nfs/dbraw/zinc/51/93/47/786519347.db2.gz YIWDUONFISCENE-UKRRQHHQSA-N -2 0 347.411 2.303 20 0 EEADRL CC(C)(C)c1ccc(CC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1 ZINC000910187048 786519472 /nfs/dbraw/zinc/51/94/72/786519472.db2.gz YIWDUONFISCENE-ZFWWWQNUSA-N -2 0 347.411 2.303 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)CCc2ccc(Cl)s2)C1 ZINC000910190272 786522177 /nfs/dbraw/zinc/52/21/77/786522177.db2.gz VTXCNLFJDIWEJE-PSASIEDQSA-N -2 0 345.804 2.111 20 0 EEADRL CCc1nccc(C)c1NC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148917154 792782571 /nfs/dbraw/zinc/78/25/71/792782571.db2.gz MRTVZDLAOZDZFD-UHFFFAOYSA-N -2 0 336.369 2.157 20 0 EEADRL O=C([O-])c1cc(Nc2cccc3c(=O)[nH][nH]c(=O)c23)cc(C(=O)[O-])c1 ZINC001176242322 798392212 /nfs/dbraw/zinc/39/22/12/798392212.db2.gz UTMCXRLDHJVNHJ-UHFFFAOYSA-N -2 0 341.279 2.181 20 0 EEADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1)C1CCCC1 ZINC000863951911 939243471 /nfs/dbraw/zinc/24/34/71/939243471.db2.gz XDGZKNXCNUCWLM-LBPRGKRZSA-N -2 0 345.804 2.036 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2C#N)c1C(=O)[O-] ZINC000322589420 970906407 /nfs/dbraw/zinc/90/64/07/970906407.db2.gz ULCUZODKAMAFOW-UHFFFAOYSA-N -2 0 338.316 2.406 20 0 EEADRL CC(C)Oc1ncccc1[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000387153714 972107748 /nfs/dbraw/zinc/10/77/48/972107748.db2.gz PCMTXOLFURPBOQ-UHFFFAOYSA-N -2 0 342.398 2.429 20 0 EEADRL CCOc1ncccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000038058861 957353296 /nfs/dbraw/zinc/35/32/96/957353296.db2.gz JUNOKLAMWHAMMO-UHFFFAOYSA-N -2 0 328.371 2.041 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c1C(=O)[O-] ZINC000390386486 972280297 /nfs/dbraw/zinc/28/02/97/972280297.db2.gz XSUTWRUXGFNBJO-UHFFFAOYSA-N -2 0 340.313 2.304 20 0 EEADRL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC000863955410 969311642 /nfs/dbraw/zinc/31/16/42/969311642.db2.gz LFSYCKJYEBCSAV-LRDDRELGSA-N -2 0 337.397 2.005 20 0 EEADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000863952887 969311760 /nfs/dbraw/zinc/31/17/60/969311760.db2.gz HIHRJPMTLQLXHT-UHFFFAOYSA-N -2 0 333.793 2.036 20 0 EEADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2nnc(C3CC3)o2)c1C ZINC000319943367 970592490 /nfs/dbraw/zinc/59/24/90/970592490.db2.gz BQVFTMODJLRUGT-UHFFFAOYSA-N -2 0 337.357 2.063 20 0 EEADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)N([C@@H](C)C(=O)[O-])C3CC3)n2)c1 ZINC001605282086 973076279 /nfs/dbraw/zinc/07/62/79/973076279.db2.gz HTPOPGAIXHSUDG-JTQLQIEISA-N -2 0 347.346 2.103 20 0 EEADRL O=C([O-])c1cc(NC(=O)c2nn(-c3ccccc3F)cc2[O-])ccn1 ZINC001606465534 973929131 /nfs/dbraw/zinc/92/91/31/973929131.db2.gz BHKXHHSMQWLXKL-UHFFFAOYSA-N -2 0 342.286 2.063 20 0 EEADRL CC(C)c1ccc(C(=O)N2C[C@@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)cc1 ZINC001591942097 976465250 /nfs/dbraw/zinc/46/52/50/976465250.db2.gz LWLPLAKQICXBGF-HVEKOLDVSA-N -2 0 345.395 2.448 20 0 EEADRL CCc1oncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000800844164 978848419 /nfs/dbraw/zinc/84/84/19/978848419.db2.gz JYYFNOIEFCAMJC-UHFFFAOYSA-N -2 0 328.321 2.184 20 0 EEADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@H](CC(=O)[O-])C2CC2)n1 ZINC000832889551 979052817 /nfs/dbraw/zinc/05/28/17/979052817.db2.gz IPSGTEHNJDQGBM-GFCCVEGCSA-N -2 0 347.346 2.009 20 0 EEADRL C[C@@H](CNC(=O)Nc1cccc(CSCCC(=O)[O-])c1)C(=O)[O-] ZINC001592682630 979105346 /nfs/dbraw/zinc/10/53/46/979105346.db2.gz DRZASNJDQVJWDS-JTQLQIEISA-N -2 0 340.401 2.237 20 0 EEADRL CC[C@@](C)(NC(=O)c1cc(Br)c(F)cc1[O-])C(=O)[O-] ZINC001594841559 982055781 /nfs/dbraw/zinc/05/57/81/982055781.db2.gz AQAOZCIIGHSEKT-GFCCVEGCSA-N -2 0 334.141 2.277 20 0 EEADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)CC=CCl ZINC001599947231 985548699 /nfs/dbraw/zinc/54/86/99/985548699.db2.gz BTTLYHQJIJBMKK-WBSSQXGSSA-N -2 0 333.793 2.068 20 0 EEADRL Cc1[nH]c(C(=O)[O-])cc1C([O-])=CS(=O)(=O)[C@@H](C)c1cccs1 ZINC001599961279 985786140 /nfs/dbraw/zinc/78/61/40/985786140.db2.gz RROFCCWLWCATCG-VIFPVBQESA-N -2 0 341.410 2.442 20 0 EEADRL CCc1ccc(NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)c(C(=O)[O-])c1 ZINC001597545434 988246177 /nfs/dbraw/zinc/24/61/77/988246177.db2.gz RZNOSATYJMKIPV-UHFFFAOYSA-N -2 0 345.399 2.274 20 0 EEADRL CCc1noc(C)c1[N-]S(=O)(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC001597746889 989120765 /nfs/dbraw/zinc/12/07/65/989120765.db2.gz YJRBIHUCMAAJMF-LBPRGKRZSA-N -2 0 338.385 2.156 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1OCC2 ZINC001597790716 989313356 /nfs/dbraw/zinc/31/33/56/989313356.db2.gz HFMPATSMZYWSOY-UHFFFAOYSA-N -2 0 337.353 2.276 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)cc1OC ZINC001599598276 993777895 /nfs/dbraw/zinc/77/78/95/993777895.db2.gz SOJJOWKIFGTQQG-UHFFFAOYSA-N -2 0 341.341 2.104 20 0 EEADRL COC(=O)c1cc(NC(=O)c2c([O-])cccc2F)cc(C(=O)[O-])c1 ZINC001598946166 998061762 /nfs/dbraw/zinc/06/17/62/998061762.db2.gz BFBSKSXSNLBQNP-UHFFFAOYSA-N -2 0 333.271 2.268 20 0 EEADRL COc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC001599377468 998510723 /nfs/dbraw/zinc/51/07/23/998510723.db2.gz AFGUWYQXDPUKGW-UHFFFAOYSA-N -2 0 339.373 2.041 20 0 EEADRL CO[C@H](CS(=O)(=O)[N-]c1csnc1C(=O)[O-])C1CCCCC1 ZINC001599056801 999235980 /nfs/dbraw/zinc/23/59/80/999235980.db2.gz DWWQMBBEXRPMMC-LLVKDONJSA-N -2 0 348.446 2.178 20 0 EEADRL COc1ccc(O)c(S(=O)(=O)[N-]c2cnn(C(C)(C)C)c2)c1 ZINC000342784113 539834865 /nfs/dbraw/zinc/83/48/65/539834865.db2.gz RHILFUWDOCPHPP-UHFFFAOYSA-N -2 0 325.390 2.153 20 0 EEADRL CCn1nc(C)c(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])c1C ZINC000266117177 248107998 /nfs/dbraw/zinc/10/79/98/248107998.db2.gz XSPWNTIHHLGCJI-UHFFFAOYSA-N -2 0 337.401 2.327 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c(O)c1 ZINC000356037286 153255568 /nfs/dbraw/zinc/25/55/68/153255568.db2.gz PTYABYAGPXMTOA-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL CCn1cnc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000092890111 159227034 /nfs/dbraw/zinc/22/70/34/159227034.db2.gz PROWEJAJUTZGPC-UHFFFAOYSA-N -2 0 329.765 2.055 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC000362304000 164636201 /nfs/dbraw/zinc/63/62/01/164636201.db2.gz CQPCIJXNFQIKRW-UHFFFAOYSA-N -2 0 339.300 2.023 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cnc(C(C)C)nc2)cc1C(=O)[O-] ZINC000279817769 269308557 /nfs/dbraw/zinc/30/85/57/269308557.db2.gz CCEAWQPSTSGSNI-UHFFFAOYSA-N -2 0 335.385 2.407 20 0 EEADRL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnoc1C1CC1 ZINC000414382071 313007361 /nfs/dbraw/zinc/00/73/61/313007361.db2.gz KEZBSYPOLTVQQD-UHFFFAOYSA-N -2 0 338.341 2.065 20 0 EEADRL COc1ccnc2c([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cccc12 ZINC000536609816 318004104 /nfs/dbraw/zinc/00/41/04/318004104.db2.gz PMDXTHISHPFBGN-UHFFFAOYSA-N -2 0 347.352 2.071 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cc1 ZINC000000267701 462552472 /nfs/dbraw/zinc/55/24/72/462552472.db2.gz RWPMFCXQBKDKSU-UHFFFAOYSA-N -2 0 337.353 2.203 20 0 EEADRL Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000075144397 462686325 /nfs/dbraw/zinc/68/63/25/462686325.db2.gz NHZMYZTYUHUPRM-UHFFFAOYSA-N -2 0 338.385 2.454 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2C(=O)[O-])cn1 ZINC000057126445 463455116 /nfs/dbraw/zinc/45/51/16/463455116.db2.gz TXCWHMHXEKOFCF-UHFFFAOYSA-N -2 0 337.401 2.217 20 0 EEADRL CO[C@@H](C)CS(=O)(=O)Nc1ccc(S[C@H](C)C(=O)[O-])cc1 ZINC000285130581 464461517 /nfs/dbraw/zinc/46/15/17/464461517.db2.gz QCMUUPRCDWNLAR-VHSXEESVSA-N -2 0 333.431 2.028 20 0 EEADRL Cc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000357326664 465950862 /nfs/dbraw/zinc/95/08/62/465950862.db2.gz AAEBWUIPBMQFSD-UHFFFAOYSA-N -2 0 349.290 2.236 20 0 EEADRL CCc1ccc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)cc1C(=O)[O-] ZINC000361775340 466277445 /nfs/dbraw/zinc/27/74/45/466277445.db2.gz FRIUXHOXFOHTFP-UHFFFAOYSA-N -2 0 345.327 2.340 20 0 EEADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000316302721 466571143 /nfs/dbraw/zinc/57/11/43/466571143.db2.gz LWVKGIJUSJHVRK-UHFFFAOYSA-N -2 0 340.382 2.206 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)cc1F ZINC000388837999 467398163 /nfs/dbraw/zinc/39/81/63/467398163.db2.gz MXRFCUAMFBSYFP-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)c1 ZINC000436725973 467552586 /nfs/dbraw/zinc/55/25/86/467552586.db2.gz TYNCDDWEONJTBP-UHFFFAOYSA-N -2 0 347.352 2.076 20 0 EEADRL CCOC(=O)CCc1c(C)[n-]n(-c2ccc(C(=O)[O-])c(F)c2)c1=O ZINC000601949371 469108109 /nfs/dbraw/zinc/10/81/09/469108109.db2.gz KAEYANZMBZBSIQ-NSHDSACASA-N -2 0 336.319 2.206 20 0 EEADRL CO[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O)C1CCCC1 ZINC000656618897 471785272 /nfs/dbraw/zinc/78/52/72/471785272.db2.gz LNEFMSFHENIXCR-CQSZACIVSA-N -2 0 343.401 2.037 20 0 EEADRL C[C@](CNC(=O)[C@H](C(=O)[O-])C1CCCC1)(C(=O)[O-])c1ccccc1 ZINC000663120747 472365355 /nfs/dbraw/zinc/36/53/55/472365355.db2.gz RXAIPSJDEHBEQR-RDTXWAMCSA-N -2 0 333.384 2.036 20 0 EEADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-]C[C@H](CC(=O)[O-])c1ccccc1 ZINC000776571218 577462801 /nfs/dbraw/zinc/46/28/01/577462801.db2.gz MEVCEMUURWMVTK-KOLCDFICSA-N -2 0 339.335 2.115 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2O)cc(C(=O)[O-])c1F ZINC000763274357 577718291 /nfs/dbraw/zinc/71/82/91/577718291.db2.gz CYEPAIDLRQMVAC-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL Cn1nc(CC(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000739048699 578036362 /nfs/dbraw/zinc/03/63/62/578036362.db2.gz AMJRSFZQJQFCII-UHFFFAOYSA-N -2 0 341.389 2.101 20 0 EEADRL O=C([O-])CCc1nnc([N-]C(=O)c2c(F)cc(F)cc2F)s1 ZINC000739776143 578067412 /nfs/dbraw/zinc/06/74/12/578067412.db2.gz CIGLZPCQQBSLPV-UHFFFAOYSA-N -2 0 331.275 2.225 20 0 EEADRL CCCn1nccc1[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000737051352 578235325 /nfs/dbraw/zinc/23/53/25/578235325.db2.gz RTXOCDIKLCYZOQ-UHFFFAOYSA-N -2 0 327.362 2.002 20 0 EEADRL CCc1csc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])n1 ZINC000737274475 578247497 /nfs/dbraw/zinc/24/74/97/578247497.db2.gz KRJCJNCKTVICGK-UHFFFAOYSA-N -2 0 330.362 2.344 20 0 EEADRL COCc1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)n1 ZINC000737836280 578270603 /nfs/dbraw/zinc/27/06/03/578270603.db2.gz POTFICJPJCKAIU-UHFFFAOYSA-N -2 0 342.398 2.097 20 0 EEADRL O=C([O-])Cc1csc([N-]S(=O)(=O)c2ccc(Cl)s2)n1 ZINC000037374412 600050788 /nfs/dbraw/zinc/05/07/88/600050788.db2.gz VOPZFZNTDHXNNB-UHFFFAOYSA-N -2 0 338.819 2.286 20 0 EEADRL CC(C)n1cc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cn1 ZINC000320172900 601328310 /nfs/dbraw/zinc/32/83/10/601328310.db2.gz QYYKVWDCPKGPOQ-VMPITWQZSA-N -2 0 335.385 2.363 20 0 EEADRL CCCCC[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(=O)[O-] ZINC000829339412 601760600 /nfs/dbraw/zinc/76/06/00/601760600.db2.gz ITEXAVJYCFJRRL-CYBMUJFWSA-N -2 0 349.362 2.480 20 0 EEADRL Cc1ccc(O)c([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c1 ZINC000832952894 601863634 /nfs/dbraw/zinc/86/36/34/601863634.db2.gz GWMFJMKZZRVEKZ-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL O=C([O-])c1csc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000833343814 602116318 /nfs/dbraw/zinc/11/63/18/602116318.db2.gz QHHBAFBAGIDSHO-UHFFFAOYSA-N -2 0 325.367 2.182 20 0 EEADRL Cc1cc(NC(=O)c2cccc(OCC(=O)[O-])c2)ccc1C(=O)[O-] ZINC000832895982 604539033 /nfs/dbraw/zinc/53/90/33/604539033.db2.gz AAGHLNCPIINBRY-UHFFFAOYSA-N -2 0 329.308 2.409 20 0 EEADRL O=C([O-])CCc1csc([N-]S(=O)(=O)c2ccc(Cl)nc2)n1 ZINC000833244180 604626050 /nfs/dbraw/zinc/62/60/50/604626050.db2.gz VNKFWPGAMBJJJA-UHFFFAOYSA-N -2 0 347.805 2.010 20 0 EEADRL CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)[nH]c2C(=O)[O-])c1 ZINC000828580225 604790688 /nfs/dbraw/zinc/79/06/88/604790688.db2.gz DHAAMRMXQOOQQH-UHFFFAOYSA-N -2 0 336.369 2.415 20 0 EEADRL CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C(CC)(CC)C(=O)[O-] ZINC000863962734 1197938352 /nfs/dbraw/zinc/93/83/52/1197938352.db2.gz VPUITSOCKZBCNJ-CYBMUJFWSA-N -2 0 341.429 2.475 20 0 EEADRL O=C(Nc1ccc(F)c(O)c1)c1ccccc1OP(=O)([O-])[O-] ZINC001189888631 1280564328 /nfs/dbraw/zinc/56/43/28/1280564328.db2.gz HTPLPMKBEGHUHK-UHFFFAOYSA-N -2 0 327.204 2.255 20 0 EEADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccnn2CC2CC2)cc1 ZINC001192109394 1281801877 /nfs/dbraw/zinc/80/18/77/1281801877.db2.gz BLHXDDSVDMYLJR-UHFFFAOYSA-N -2 0 349.412 2.111 20 0 EEADRL CCOC(=O)c1cnc(NC(=O)c2cc(Cl)c(F)cc2[O-])[n-]1 ZINC001196453909 1284091273 /nfs/dbraw/zinc/09/12/73/1284091273.db2.gz PLACWZMCKBLLHZ-UHFFFAOYSA-N -2 0 327.699 2.337 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2ccccc2C#N)cc1C(=O)[O-] ZINC000319932362 1299321218 /nfs/dbraw/zinc/32/12/18/1299321218.db2.gz CUNXRJGONNRYLS-UHFFFAOYSA-N -2 0 332.337 2.066 20 0 EEADRL O=C([O-])c1cc(-c2cccc3c2NC(=O)[N-]S3(=O)=O)ccc1F ZINC001241246555 1309461724 /nfs/dbraw/zinc/46/17/24/1309461724.db2.gz VORXDGLFHMOBGR-UHFFFAOYSA-N -2 0 336.300 2.015 20 0 EEADRL Cc1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cnc1N1CCOCC1 ZINC001242161270 1309623702 /nfs/dbraw/zinc/62/37/02/1309623702.db2.gz SBKREPHHAOYIPG-UHFFFAOYSA-N -2 0 342.351 2.290 20 0 EEADRL CCOc1ccc(C(=O)[O-])cc1-c1ccc(-n2[n-]c(C)cc2=O)nn1 ZINC001244419184 1309944653 /nfs/dbraw/zinc/94/46/53/1309944653.db2.gz ZXNYELRBACNGBX-UHFFFAOYSA-N -2 0 340.339 2.353 20 0 EEADRL CCCCCc1nnc(-c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)o1 ZINC001256136339 1318655045 /nfs/dbraw/zinc/65/50/45/1318655045.db2.gz JKMJQKFKPYPCRW-UHFFFAOYSA-N -2 0 340.357 2.414 20 0 EEADRL CCS(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)C2CCCCC2)c1 ZINC001259808184 1319689342 /nfs/dbraw/zinc/68/93/42/1319689342.db2.gz BHCNJAHXUUHBRA-UHFFFAOYSA-N -2 0 347.458 2.260 20 0 EEADRL Cn1cnc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)c21 ZINC001260228709 1319839802 /nfs/dbraw/zinc/83/98/02/1319839802.db2.gz SWYPUURHRUOOFK-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL O=C([O-])c1cncc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)c1 ZINC001602543612 1350542801 /nfs/dbraw/zinc/54/28/01/1350542801.db2.gz MSXBDRJESYLMDS-UHFFFAOYSA-N -2 0 345.336 2.236 20 0 EEADRL O=C([O-])C1(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)CC2(CCC2)C1 ZINC001608565836 1351716952 /nfs/dbraw/zinc/71/69/52/1351716952.db2.gz AXDMSJIJWWBISG-UHFFFAOYSA-N -2 0 343.339 2.004 20 0 EEADRL O=C([O-])CCc1cccc(NC(=O)Nc2nc(CC(=O)[O-])cs2)c1 ZINC001608740000 1351752958 /nfs/dbraw/zinc/75/29/58/1351752958.db2.gz VWFRUCROOJKLIB-UHFFFAOYSA-N -2 0 349.368 2.431 20 0 EEADRL O=C([O-])c1coc(C(=O)[N-]S(=O)(=O)[C@H]2CCCc3ccccc32)c1 ZINC001608986513 1351808474 /nfs/dbraw/zinc/80/84/74/1351808474.db2.gz KQIARUFYCOKKGN-AWEZNQCLSA-N -2 0 349.364 2.115 20 0 EEADRL CC1(C)CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001609818531 1352092826 /nfs/dbraw/zinc/09/28/26/1352092826.db2.gz VERSNHJFOLIKRJ-QMMMGPOBSA-N -2 0 331.415 2.078 20 0 EEADRL CCCCC[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])C(C)C ZINC001609964780 1352131703 /nfs/dbraw/zinc/13/17/03/1352131703.db2.gz MPFRGKMJTIOCAG-AGIUHOORSA-N -2 0 335.466 2.394 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC)cc1 ZINC001610346373 1352208860 /nfs/dbraw/zinc/20/88/60/1352208860.db2.gz LPYKTSBPONLXCH-UHFFFAOYSA-N -2 0 337.353 2.203 20 0 EEADRL COc1ccnc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC001610369520 1352212288 /nfs/dbraw/zinc/21/22/88/1352212288.db2.gz JXNTXHYUZDKWAP-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](CC1CCCCC1)C(=O)[O-] ZINC001647343975 1353238436 /nfs/dbraw/zinc/23/84/36/1353238436.db2.gz MZRGSPVHCFNMBS-WPRPVWTQSA-N -2 0 331.356 2.280 20 0 EEADRL Cc1cccc(C)c1CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cc1 ZINC001610519510 1352237300 /nfs/dbraw/zinc/23/73/00/1352237300.db2.gz ZESJBVQDXTYKHG-UHFFFAOYSA-N -2 0 347.392 2.261 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cccc(N(C)C)n1 ZINC001610546071 1352242822 /nfs/dbraw/zinc/24/28/22/1352242822.db2.gz QQJUYRFHRTXHCO-UHFFFAOYSA-N -2 0 341.414 2.017 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2nc3c(s2)CCCC3)cc1C(=O)[O-] ZINC001610587549 1352249805 /nfs/dbraw/zinc/24/98/05/1352249805.db2.gz OBERMAWJAYIOIL-UHFFFAOYSA-N -2 0 342.398 2.422 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)cc1C(=O)[O-] ZINC001610586712 1352249896 /nfs/dbraw/zinc/24/98/96/1352249896.db2.gz CHDTXHUTCCGYRC-UHFFFAOYSA-N -2 0 331.733 2.446 20 0 EEADRL CC(C)(C)c1ccc(-c2nn[nH]n2)c(N2CCC[C@@H](CC(=O)[O-])C2)n1 ZINC001589221586 1348971448 /nfs/dbraw/zinc/97/14/48/1348971448.db2.gz OOSYAAKUJNUMRG-NSHDSACASA-N -2 0 344.419 2.250 20 0 EEADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2c[nH]nc2C2CC2)c1F ZINC001600115085 1349973902 /nfs/dbraw/zinc/97/39/02/1349973902.db2.gz IJFMKZFXQPPIAR-UHFFFAOYSA-N -2 0 339.348 2.234 20 0 EEADRL Cc1cc(CNC(=O)c2cc(F)c(F)c([O-])c2F)oc1C(=O)[O-] ZINC001600201859 1349991908 /nfs/dbraw/zinc/99/19/08/1349991908.db2.gz PGEJABOPXFEVEC-UHFFFAOYSA-N -2 0 329.230 2.339 20 0 EEADRL Cc1cc(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)ccc1C(=O)[O-] ZINC001600262762 1350005531 /nfs/dbraw/zinc/00/55/31/1350005531.db2.gz ULWICXVIVMCZGJ-UONOGXRCSA-N -2 0 332.356 2.268 20 0 EEADRL Cc1cc(NC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)c(C(=O)[O-])[nH]1 ZINC001600267897 1350006729 /nfs/dbraw/zinc/00/67/29/1350006729.db2.gz NLZXPNQBXCODKR-KRWDZBQOSA-N -2 0 345.355 2.185 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)nc(C)n1 ZINC001600283151 1350010669 /nfs/dbraw/zinc/01/06/69/1350010669.db2.gz QXOOKCPLTIDXGQ-UHFFFAOYSA-N -2 0 339.348 2.040 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)[N-]OCc1ccc(F)cc1 ZINC001600350721 1350025947 /nfs/dbraw/zinc/02/59/47/1350025947.db2.gz KUVWXQKNCYOEJK-UHFFFAOYSA-N -2 0 346.314 2.019 20 0 EEADRL Cc1nc(C2CC2)oc1C(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC001600693813 1350117512 /nfs/dbraw/zinc/11/75/12/1350117512.db2.gz QCYVRGUBWIWZBC-UHFFFAOYSA-N -2 0 336.373 2.372 20 0 EEADRL O=C([O-])[C@@H](C[C@@H]1CCCO1)NC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001601408172 1350277329 /nfs/dbraw/zinc/27/73/29/1350277329.db2.gz BZLKUTIYIQVIHI-GZMMTYOYSA-N -2 0 347.289 2.163 20 0 EEADRL O=C([O-])[C@@H](CC(F)(F)F)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC001601407749 1350277436 /nfs/dbraw/zinc/27/74/36/1350277436.db2.gz ZZKNFRULRRWHGM-SSDOTTSWSA-N -2 0 334.275 2.252 20 0 EEADRL O=C([O-])[C@@H](Cc1ccc(F)cc1)NC(=O)c1s[n-]c(=O)c1Cl ZINC001601568528 1350308796 /nfs/dbraw/zinc/30/87/96/1350308796.db2.gz ANQNPKQLBFLYNZ-MRVPVSSYSA-N -2 0 344.751 2.067 20 0 EEADRL O=C([O-])[C@@H]1CCCC[C@H]1S(=O)(=O)[N-]CC(F)(F)c1ccccc1 ZINC001601809828 1350369493 /nfs/dbraw/zinc/36/94/93/1350369493.db2.gz JGUBEOLXBHYJOA-CHWSQXEVSA-N -2 0 347.383 2.341 20 0 EEADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1coc2ccc(Cl)cc12 ZINC001601999232 1350414471 /nfs/dbraw/zinc/41/44/71/1350414471.db2.gz MEPURCJHYWCUFG-UHFFFAOYSA-N -2 0 345.760 2.011 20 0 EEADRL O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC001602171276 1350456903 /nfs/dbraw/zinc/45/69/03/1350456903.db2.gz PIJFLYXSEOUHTA-QMMMGPOBSA-N -2 0 328.296 2.051 20 0 EEADRL O=C([O-])c1cc(F)cc(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)c1 ZINC001602271085 1350482643 /nfs/dbraw/zinc/48/26/43/1350482643.db2.gz POEXISSDISUOIN-UHFFFAOYSA-N -2 0 343.270 2.120 20 0 EEADRL O=C([O-])c1ccc(NS(=O)(=O)CC2(C(=O)[O-])CCC2)cc1Cl ZINC001602384373 1350507811 /nfs/dbraw/zinc/50/78/11/1350507811.db2.gz KAQYVOGYAUMDLR-UHFFFAOYSA-N -2 0 347.776 2.035 20 0 EEADRL CC(C)(C(=O)[O-])[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC001603247287 1350670739 /nfs/dbraw/zinc/67/07/39/1350670739.db2.gz OQPDTHKWHDNLLG-CQSZACIVSA-N -2 0 342.351 2.362 20 0 EEADRL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(OCC(=O)[O-])cc2)C1 ZINC001603252365 1350672146 /nfs/dbraw/zinc/67/21/46/1350672146.db2.gz ARTLIODYHCCBRH-CYBMUJFWSA-N -2 0 349.383 2.113 20 0 EEADRL C[C@@H](Cc1ccc(NC(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1)C(=O)[O-] ZINC001604225332 1350897568 /nfs/dbraw/zinc/89/75/68/1350897568.db2.gz UVTQSLVLLHECQZ-GTNSWQLSSA-N -2 0 334.372 2.278 20 0 EEADRL CC1(C(=O)[O-])CCN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CC1 ZINC001604499215 1350949709 /nfs/dbraw/zinc/94/97/09/1350949709.db2.gz YIVVFFLHBVPLFR-UHFFFAOYSA-N -2 0 342.298 2.382 20 0 EEADRL CC[C@H](C)[C@@H]([N-]S(=O)(=O)CC1(C(=O)[O-])CCC1)C(F)(F)F ZINC001604946886 1351037083 /nfs/dbraw/zinc/03/70/83/1351037083.db2.gz PDWHEERVFYOHHN-DTWKUNHWSA-N -2 0 331.356 2.138 20 0 EEADRL CCOC(=O)c1[n-]c(NC(=O)c2cc(C)c(C(=O)[O-])o2)nc1Cl ZINC001605562630 1351191005 /nfs/dbraw/zinc/19/10/05/1351191005.db2.gz KFRAWIOAECOSLU-UHFFFAOYSA-N -2 0 341.707 2.092 20 0 EEADRL CCc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC001605826868 1351230086 /nfs/dbraw/zinc/23/00/86/1351230086.db2.gz DBBXDIRJWMDECL-UHFFFAOYSA-N -2 0 343.792 2.135 20 0 EEADRL COc1ccc(C)cc1C([O-])=CS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001607234441 1351455370 /nfs/dbraw/zinc/45/53/70/1351455370.db2.gz GLCDBLQEVTTYQV-UHFFFAOYSA-N -2 0 348.376 2.358 20 0 EEADRL COc1ccc2[nH]nc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)c2c1 ZINC001607292872 1351466189 /nfs/dbraw/zinc/46/61/89/1351466189.db2.gz FKPQBMSDLHNKGS-UHFFFAOYSA-N -2 0 347.352 2.071 20 0 EEADRL COc1ccc2c(c1[N-]S(=O)(=O)c1cncc(C(=O)[O-])c1)CCC2 ZINC001607299106 1351467745 /nfs/dbraw/zinc/46/77/45/1351467745.db2.gz POWGOLBFSQHZPV-UHFFFAOYSA-N -2 0 348.380 2.078 20 0 EEADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnn(C)c2Cl)c1C ZINC001607595807 1351521359 /nfs/dbraw/zinc/52/13/59/1351521359.db2.gz WQTNKODQSTZOSQ-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cnn(C(C)(C)C)c2)oc1C(=O)[O-] ZINC001607707820 1351543439 /nfs/dbraw/zinc/54/34/39/1351543439.db2.gz GRCKWBWILYJFIG-UHFFFAOYSA-N -2 0 327.362 2.039 20 0 EEADRL Cc1oc(S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F)cc1C(=O)[O-] ZINC001608056624 1351615882 /nfs/dbraw/zinc/61/58/82/1351615882.db2.gz AJPAOXWGTARTKM-VIFPVBQESA-N -2 0 329.296 2.151 20 0 EEADRL COC(=O)[C@@H](c1ccc(NCCOP(=O)([O-])[O-])cc1)C(C)C ZINC001168591905 790789531 /nfs/dbraw/zinc/78/95/31/790789531.db2.gz IBDWSMXSDKZOCB-CYBMUJFWSA-N -2 0 331.305 2.120 20 0 EEADRL CC(C)(C)OC(=O)[C@H](CC(N)=O)Nc1cc([S-])cc([S-])c1 ZINC001167921833 780928314 /nfs/dbraw/zinc/92/83/14/780928314.db2.gz JMQXKXOSLUEQNW-NSHDSACASA-N -2 0 328.459 2.262 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)nn1C(C)C ZINC000817357031 784694703 /nfs/dbraw/zinc/69/47/03/784694703.db2.gz DDVWGRIKFMUHFX-UHFFFAOYSA-N -2 0 341.364 2.411 20 0 EEADRL COc1cc(OC(F)(F)F)ccc1NCCOP(=O)([O-])[O-] ZINC001168595798 791049046 /nfs/dbraw/zinc/04/90/46/791049046.db2.gz NMNNTAGHNKYZBA-UHFFFAOYSA-N -2 0 331.183 2.115 20 0 EEADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)N(CC(=O)[O-])C3CCC3)n2)c1 ZINC000910083873 786421243 /nfs/dbraw/zinc/42/12/43/786421243.db2.gz LFXVLSKGJNLJPQ-UHFFFAOYSA-N -2 0 347.346 2.105 20 0 EEADRL O=C([O-])c1cc(Nc2cnc(Br)cn2)cc(C(=O)[O-])c1 ZINC001176236749 798390267 /nfs/dbraw/zinc/39/02/67/798390267.db2.gz AEBJOVOSCDCVGI-UHFFFAOYSA-N -2 0 338.117 2.379 20 0 EEADRL CCOC(=O)c1cccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001176239704 798391406 /nfs/dbraw/zinc/39/14/06/798391406.db2.gz TWDHRAHGIWIBFR-UHFFFAOYSA-N -2 0 330.296 2.398 20 0 EEADRL CNC(=O)c1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(F)c1 ZINC001176245455 798392937 /nfs/dbraw/zinc/39/29/37/798392937.db2.gz ZVNXEAHQIZSKOJ-UHFFFAOYSA-N -2 0 332.287 2.325 20 0 EEADRL CC(=O)[N-]S(=O)(=O)c1ccc(Nc2csc(C(=O)[O-])c2)cc1 ZINC001176435255 798449045 /nfs/dbraw/zinc/44/90/45/798449045.db2.gz AMUMMRHVXJMWRA-UHFFFAOYSA-N -2 0 340.382 2.015 20 0 EEADRL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(C(=O)[O-])cn2)c1 ZINC000325097271 971184435 /nfs/dbraw/zinc/18/44/35/971184435.db2.gz STDOAMUZFADPOO-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL O=C([O-])CCCCCNC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001595037622 951411280 /nfs/dbraw/zinc/41/12/80/951411280.db2.gz RWMPXRFUBZXFDF-UHFFFAOYSA-N -2 0 335.335 2.092 20 0 EEADRL CC(C)n1cnc(S(=O)(=O)[N-]c2cccc(CCC(=O)[O-])c2)c1 ZINC001603114902 972192625 /nfs/dbraw/zinc/19/26/25/972192625.db2.gz AOWAXYVWNQDXTN-UHFFFAOYSA-N -2 0 337.401 2.282 20 0 EEADRL C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1cc(Br)c(F)cc1[O-] ZINC001574273850 960612057 /nfs/dbraw/zinc/61/20/57/960612057.db2.gz GZUFGPBVARDQBV-LHLIQPBNSA-N -2 0 346.152 2.372 20 0 EEADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)NC[C@@H](C(=O)[O-])C(C)C)n2)c1 ZINC001574369119 961064597 /nfs/dbraw/zinc/06/45/97/961064597.db2.gz OXMNKGWGBISCIN-LLVKDONJSA-N -2 0 349.362 2.112 20 0 EEADRL CCOC(=O)c1[n-]c(NC(=O)C(CC)(CC)C(=O)[O-])nc1Cl ZINC001573900753 961422198 /nfs/dbraw/zinc/42/21/98/961422198.db2.gz GPZPARVZIMXUIB-UHFFFAOYSA-N -2 0 331.756 2.069 20 0 EEADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)n2)cc1 ZINC001588963157 962633876 /nfs/dbraw/zinc/63/38/76/962633876.db2.gz WIYKNEOWXVWKRE-BETUJISGSA-N -2 0 343.383 2.294 20 0 EEADRL CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-] ZINC000863962464 969312356 /nfs/dbraw/zinc/31/23/56/969312356.db2.gz MJURUAQJDNWGCR-CYBMUJFWSA-N -2 0 327.402 2.229 20 0 EEADRL CCN(C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])[C@@H](C)C(=O)[O-] ZINC001603715604 974138389 /nfs/dbraw/zinc/13/83/89/974138389.db2.gz OVZKULDMOZPEBU-JTQLQIEISA-N -2 0 331.324 2.400 20 0 EEADRL C[C@@H](CNC(=O)Nc1cccc(SCCC(=O)[O-])c1)C(=O)[O-] ZINC001592683738 979114157 /nfs/dbraw/zinc/11/41/57/979114157.db2.gz XKAWZLJVRSTXAI-VIFPVBQESA-N -2 0 326.374 2.096 20 0 EEADRL CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)n[nH]1 ZINC001595578179 981498200 /nfs/dbraw/zinc/49/82/00/981498200.db2.gz ANCOHXBUBZXYDV-QMMMGPOBSA-N -2 0 327.362 2.405 20 0 EEADRL CC[C@H](C(=O)[O-])[S@](=O)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001594775479 981759060 /nfs/dbraw/zinc/75/90/60/981759060.db2.gz RZBJAGWEWBCQFF-SFDCACGMSA-N -2 0 337.353 2.152 20 0 EEADRL CCCn1nccc1[N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001596125925 983463889 /nfs/dbraw/zinc/46/38/89/983463889.db2.gz MTAGQMPUZLPYHY-UHFFFAOYSA-N -2 0 349.412 2.210 20 0 EEADRL CCOC(=O)CCc1c(C)[n-]n(-c2ccc(F)c(C(=O)[O-])c2)c1=O ZINC001596602340 984561751 /nfs/dbraw/zinc/56/17/51/984561751.db2.gz UOZBFAKUQGVAPL-LLVKDONJSA-N -2 0 336.319 2.206 20 0 EEADRL CCOCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC001596950368 986110575 /nfs/dbraw/zinc/11/05/75/986110575.db2.gz YHANGPXMRIQSKV-UHFFFAOYSA-N -2 0 336.369 2.117 20 0 EEADRL CCOc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)nc1C ZINC001597126049 986834989 /nfs/dbraw/zinc/83/49/89/986834989.db2.gz PWLCSPULGBMZGN-UHFFFAOYSA-N -2 0 342.398 2.349 20 0 EEADRL C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)c1ccccc1 ZINC001589462374 986917122 /nfs/dbraw/zinc/91/71/22/986917122.db2.gz OJJQUVYLKXEBSU-TVQRCGJNSA-N -2 0 341.323 2.120 20 0 EEADRL CCc1nc(C)c([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)s1 ZINC001597660745 988727084 /nfs/dbraw/zinc/72/70/84/988727084.db2.gz CCNPOAFTLXNLSP-UHFFFAOYSA-N -2 0 330.387 2.414 20 0 EEADRL CCc1nc([N-]S(=O)(=O)c2cccc(F)c2)sc1C(=O)[O-] ZINC001597685330 988831789 /nfs/dbraw/zinc/83/17/89/988831789.db2.gz JGCTVSNEAAEQAW-UHFFFAOYSA-N -2 0 330.362 2.344 20 0 EEADRL CCn1ncc([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])c1C ZINC001597960039 989980870 /nfs/dbraw/zinc/98/08/70/989980870.db2.gz HODMCHZQYFCBPH-UHFFFAOYSA-N -2 0 343.792 2.364 20 0 EEADRL CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)C(=O)[N-]OC2CCC2)s1 ZINC001590461018 990026169 /nfs/dbraw/zinc/02/61/69/990026169.db2.gz KUXFSFGUHDYRCJ-UHFFFAOYSA-N -2 0 340.401 2.283 20 0 EEADRL CN(C)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001598321844 991324959 /nfs/dbraw/zinc/32/49/59/991324959.db2.gz JUTMUVXMGXLTAW-UHFFFAOYSA-N -2 0 344.776 2.498 20 0 EEADRL CC(C)C[C@H](CNC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)CC(=O)[O-] ZINC001591448260 992551067 /nfs/dbraw/zinc/55/10/67/992551067.db2.gz GKRIBTQPMKBRQD-STQMWFEESA-N -2 0 340.420 2.020 20 0 EEADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc2c(cn1)CCC2 ZINC001599384009 996911273 /nfs/dbraw/zinc/91/12/73/996911273.db2.gz QRXHZXJPWPWUAZ-UHFFFAOYSA-N -2 0 348.380 2.078 20 0 EEADRL C[C@H]1C[C@@H](C(=O)[O-])CN(c2cc(C(F)(F)F)c(C(=O)[O-])cn2)C1 ZINC001594209670 998811911 /nfs/dbraw/zinc/81/19/11/998811911.db2.gz GJOCMNZVRQLEGE-JGVFFNPUSA-N -2 0 332.278 2.346 20 0 EEADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cccc(CCC(=O)[O-])c2)C1 ZINC001594209922 998814074 /nfs/dbraw/zinc/81/40/74/998814074.db2.gz KLAHXTGBQUEMCO-DGCLKSJQSA-N -2 0 334.372 2.278 20 0 EEADRL CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000050196120 214049184 /nfs/dbraw/zinc/04/91/84/214049184.db2.gz ZZGBCUMOHBQALV-UHFFFAOYSA-N -2 0 325.308 2.026 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(CC3CC3)c2)c(C)c1C(=O)[O-] ZINC000178956328 539570354 /nfs/dbraw/zinc/57/03/54/539570354.db2.gz OAYBGNMUJLWWKC-UHFFFAOYSA-N -2 0 349.412 2.409 20 0 EEADRL CCn1nc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)c1C ZINC000266115662 248106105 /nfs/dbraw/zinc/10/61/05/248106105.db2.gz XFFYJWDNIVYUIR-UHFFFAOYSA-N -2 0 337.401 2.327 20 0 EEADRL CC(C)c1nn(C)cc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000281190011 292740535 /nfs/dbraw/zinc/74/05/35/292740535.db2.gz RFVNIKZOFKSOLM-UHFFFAOYSA-N -2 0 341.364 2.182 20 0 EEADRL Cc1ccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cc1O ZINC000438962050 315059785 /nfs/dbraw/zinc/05/97/85/315059785.db2.gz BSHJLPVGHWWNGX-UHFFFAOYSA-N -2 0 326.312 2.011 20 0 EEADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-]C1(C(=O)[O-])CCC(C)(C)CC1 ZINC000543787163 318174223 /nfs/dbraw/zinc/17/42/23/318174223.db2.gz IRJROTPAWHQFML-QMMMGPOBSA-N -2 0 331.356 2.280 20 0 EEADRL CC(C)(C)[C@H](C[N-]S(=O)(=O)c1c(F)cccc1F)CC(=O)[O-] ZINC000547878993 318331525 /nfs/dbraw/zinc/33/15/25/318331525.db2.gz CRMBRQLSZOXCSK-VIFPVBQESA-N -2 0 335.372 2.380 20 0 EEADRL CCc1noc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000339075533 465068139 /nfs/dbraw/zinc/06/81/39/465068139.db2.gz ZHMVJRDMGDFNJG-UHFFFAOYSA-N -2 0 328.321 2.184 20 0 EEADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cnn(C(C)C)c2)c1 ZINC000156321891 463007807 /nfs/dbraw/zinc/00/78/07/463007807.db2.gz QJDHWFCBKPAPDR-UHFFFAOYSA-N -2 0 341.364 2.411 20 0 EEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CC#N)cc1 ZINC000029972227 463283010 /nfs/dbraw/zinc/28/30/10/463283010.db2.gz MXMGIPGUSIJZDM-UHFFFAOYSA-N -2 0 346.364 2.260 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(C)n(C)nc2c1 ZINC000359560640 465456068 /nfs/dbraw/zinc/45/60/68/465456068.db2.gz MJUBPJQLUPYREE-UHFFFAOYSA-N -2 0 349.368 2.282 20 0 EEADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cncc(Cl)c2)c1 ZINC000339962825 465639829 /nfs/dbraw/zinc/63/98/29/465639829.db2.gz PUYGRHZHXRHTRU-UHFFFAOYSA-N -2 0 326.761 2.163 20 0 EEADRL CCOC1(CNS(=O)(=O)c2cc(C(=O)[O-])cs2)CCCC1 ZINC000314904520 466554691 /nfs/dbraw/zinc/55/46/91/466554691.db2.gz KOALPMRFFPGCAP-UHFFFAOYSA-N -2 0 333.431 2.074 20 0 EEADRL CCC(CC)(C[N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000316427113 466572061 /nfs/dbraw/zinc/57/20/61/466572061.db2.gz ANZFRHHLVYTZRM-UHFFFAOYSA-N -2 0 339.335 2.273 20 0 EEADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2O)cc1 ZINC000350740532 466593439 /nfs/dbraw/zinc/59/34/39/466593439.db2.gz DNIVHCUJFULPTB-UHFFFAOYSA-N -2 0 341.772 2.474 20 0 EEADRL CCc1ncc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)s1 ZINC000427328832 467151160 /nfs/dbraw/zinc/15/11/60/467151160.db2.gz FANSNMFUTKWKAK-UHFFFAOYSA-N -2 0 330.362 2.344 20 0 EEADRL O=C([O-])COc1cccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1 ZINC000656857950 471867585 /nfs/dbraw/zinc/86/75/85/471867585.db2.gz NVPJHUXUAQZPHF-GLQYFDAESA-N -2 0 347.367 2.008 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cc(F)ccc2O)c1 ZINC000759165432 577638275 /nfs/dbraw/zinc/63/82/75/577638275.db2.gz KHYLPZRAOJEUKL-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL CC(C)n1cc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])c(F)c2)cn1 ZINC000743262031 577882401 /nfs/dbraw/zinc/88/24/01/577882401.db2.gz LZWOQTSJUKXIBC-UHFFFAOYSA-N -2 0 345.327 2.241 20 0 EEADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1C(=O)[O-] ZINC000738829132 578028033 /nfs/dbraw/zinc/02/80/33/578028033.db2.gz KYZWHGNPTOYOSJ-UHFFFAOYSA-N -2 0 333.728 2.010 20 0 EEADRL Cc1noc2ncc([N-]S(=O)(=O)c3ccsc3C(=O)[O-])cc12 ZINC000738955404 578032483 /nfs/dbraw/zinc/03/24/83/578032483.db2.gz NXBMCRXEDUIKBM-UHFFFAOYSA-N -2 0 339.354 2.092 20 0 EEADRL CC(C)(C)CCCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736251930 578190196 /nfs/dbraw/zinc/19/01/96/578190196.db2.gz UXGWBSPKQDBGGH-UHFFFAOYSA-N -2 0 333.431 2.468 20 0 EEADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccccc2OC(C)C)c1C(=O)[O-] ZINC000738827664 578210468 /nfs/dbraw/zinc/21/04/68/578210468.db2.gz KNUOTLVCTJCJAS-UHFFFAOYSA-N -2 0 339.373 2.004 20 0 EEADRL CC[C@](C)(NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-])C(=O)[O-] ZINC000828692759 601245808 /nfs/dbraw/zinc/24/58/08/601245808.db2.gz LWQMICYVNIAQKX-INIZCTEOSA-N -2 0 335.335 2.009 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cnc2ccccc2n1 ZINC000832869120 601249398 /nfs/dbraw/zinc/24/93/98/601249398.db2.gz YUSBBXXUUAPOHY-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL CCn1nc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1C1CC1 ZINC000830445948 601388809 /nfs/dbraw/zinc/38/88/09/601388809.db2.gz VUNZSCHUVMZTKZ-UHFFFAOYSA-N -2 0 335.385 2.279 20 0 EEADRL CCCc1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)s1 ZINC000829573674 601503415 /nfs/dbraw/zinc/50/34/15/601503415.db2.gz DODGAWBNLROVOQ-UHFFFAOYSA-N -2 0 341.414 2.298 20 0 EEADRL CCc1csc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])n1 ZINC000830298841 601847802 /nfs/dbraw/zinc/84/78/02/601847802.db2.gz HBGJUDONDSFRPF-UHFFFAOYSA-N -2 0 330.362 2.344 20 0 EEADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cnc2ccccc2n1 ZINC000833318411 601848082 /nfs/dbraw/zinc/84/80/82/601848082.db2.gz NMYKCZMTQVEZCJ-UHFFFAOYSA-N -2 0 347.327 2.268 20 0 EEADRL Cc1noc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1C ZINC000833022363 602211587 /nfs/dbraw/zinc/21/15/87/602211587.db2.gz JIENIWGFZGKNSV-UHFFFAOYSA-N -2 0 332.284 2.069 20 0 EEADRL C/C(=C/c1cccc(Cl)c1)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000833387279 604782605 /nfs/dbraw/zinc/78/26/05/604782605.db2.gz WSAYTDOGHFRWCW-NTMALXAHSA-N -2 0 345.804 2.054 20 0 EEADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1cc(Cl)cnc1N ZINC000833741219 605126582 /nfs/dbraw/zinc/12/65/82/605126582.db2.gz CHABWBQYXZTPAF-UHFFFAOYSA-N -2 0 347.805 2.186 20 0 EEADRL CCc1csc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)n1 ZINC000833675965 605167982 /nfs/dbraw/zinc/16/79/82/605167982.db2.gz CUVWGYSHYYUWSY-UHFFFAOYSA-N -2 0 330.362 2.344 20 0 EEADRL N#Cc1cccc(S(=O)(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c1 ZINC000322115267 691412884 /nfs/dbraw/zinc/41/28/84/691412884.db2.gz GTFKJLYOFBYSOM-UHFFFAOYSA-N -2 0 338.291 2.335 20 0 EEADRL O=C([O-])CCC(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000863953136 1197936517 /nfs/dbraw/zinc/93/65/17/1197936517.db2.gz LLVMCOLJHYWHGM-UHFFFAOYSA-N -2 0 339.413 2.404 20 0 EEADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000863959572 1197937574 /nfs/dbraw/zinc/93/75/74/1197937574.db2.gz JGHVJQFLXUUVJA-QGZVFWFLSA-N -2 0 347.392 2.146 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c2c(nn1C)CCCC2 ZINC001185877606 1278845083 /nfs/dbraw/zinc/84/50/83/1278845083.db2.gz PCQJJAWFANYSLY-UHFFFAOYSA-N -2 0 349.412 2.106 20 0 EEADRL CCOc1ccc(S(=O)(=O)Nc2cnccc2F)cc1C(=O)[O-] ZINC001192614539 1282080125 /nfs/dbraw/zinc/08/01/25/1282080125.db2.gz GOEXJIUMIHUDCH-UHFFFAOYSA-N -2 0 340.332 2.118 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)sc1C ZINC000315002676 1298350446 /nfs/dbraw/zinc/35/04/46/1298350446.db2.gz RNYWYZFIBBPGIL-UHFFFAOYSA-N -2 0 342.398 2.024 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1-c1cccc2c1NC(=O)[N-]S2(=O)=O ZINC001241002536 1309444147 /nfs/dbraw/zinc/44/41/47/1309444147.db2.gz GZYDMQGFLVCKSK-UHFFFAOYSA-N -2 0 332.337 2.184 20 0 EEADRL Nc1ncc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c(C(F)(F)F)n1 ZINC001241651957 1309524596 /nfs/dbraw/zinc/52/45/96/1309524596.db2.gz QOPIJCBVZXPQSZ-UHFFFAOYSA-N -2 0 327.218 2.141 20 0 EEADRL CC1(C)C(=O)Nc2cc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)ncc21 ZINC001242160167 1309622811 /nfs/dbraw/zinc/62/28/11/1309622811.db2.gz DVBLDUYGFJICIO-UHFFFAOYSA-N -2 0 326.308 2.375 20 0 EEADRL CCOC(=O)Cc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc1 ZINC001242159297 1309623093 /nfs/dbraw/zinc/62/30/93/1309623093.db2.gz LDCRCGXKCREHTM-UHFFFAOYSA-N -2 0 329.308 2.251 20 0 EEADRL COC(=O)c1sccc1S(=O)(=O)[N-]c1cc([O-])c(F)c(F)c1 ZINC001259012813 1319413513 /nfs/dbraw/zinc/41/35/13/1319413513.db2.gz LWZMNCGTIZISRK-UHFFFAOYSA-N -2 0 349.336 2.319 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ncc3ccccc3n2)cc1 ZINC001260221583 1319835711 /nfs/dbraw/zinc/83/57/11/1319835711.db2.gz YFDKOFJYIAEMGB-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2O)cc1 ZINC001260228735 1319840129 /nfs/dbraw/zinc/84/01/29/1319840129.db2.gz UWWWINRQXLJSMO-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc3ccccc3cn2)ccc1O ZINC001260392565 1319882199 /nfs/dbraw/zinc/88/21/99/1319882199.db2.gz GLYLYJYGOOQMJC-UHFFFAOYSA-N -2 0 344.348 2.439 20 0 EEADRL Cn1c([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc2ccccc21 ZINC001260393137 1319882844 /nfs/dbraw/zinc/88/28/44/1319882844.db2.gz AKYOYJNVYPKTQF-UHFFFAOYSA-N -2 0 346.364 2.383 20 0 EEADRL O=P([O-])([O-])c1ccc(-c2c(F)cc(C3OCCO3)cc2F)cc1 ZINC001205941618 1323348659 /nfs/dbraw/zinc/34/86/59/1323348659.db2.gz HGSJUZLYFALWPV-UHFFFAOYSA-N -2 0 342.234 2.480 20 0 EEADRL O=C([O-])c1ccc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])cn1 ZINC001210176284 1325191035 /nfs/dbraw/zinc/19/10/35/1325191035.db2.gz VRVGZFUOMBYUST-UHFFFAOYSA-N -2 0 328.733 2.424 20 0 EEADRL CC(C)(C)CCC(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001603331701 1350689757 /nfs/dbraw/zinc/68/97/57/1350689757.db2.gz KTRZRQPHCFDESM-UHFFFAOYSA-N -2 0 349.355 2.294 20 0 EEADRL CCCCC[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])C(C)C ZINC001605254353 1351117429 /nfs/dbraw/zinc/11/74/29/1351117429.db2.gz YSQXMLBUQZJJLI-GFCCVEGCSA-N -2 0 335.466 2.396 20 0 EEADRL O=C([O-])[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])CC2)c2ccccc21 ZINC001608597097 1351722771 /nfs/dbraw/zinc/72/27/71/1351722771.db2.gz CTMJHJNNPCFECO-FKGLVLAHSA-N -2 0 331.368 2.307 20 0 EEADRL O=C([O-])CCc1cccc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)c1 ZINC001608739554 1351752783 /nfs/dbraw/zinc/75/27/83/1351752783.db2.gz ARHBAQBIZRXUPP-CYBMUJFWSA-N -2 0 334.372 2.422 20 0 EEADRL O=C([O-])c1ccc2c(c1)CCN2C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC001608922352 1351794676 /nfs/dbraw/zinc/79/46/76/1351794676.db2.gz KOXACQUWHIMJGB-UHFFFAOYSA-N -2 0 349.346 2.479 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2cc(C3CCCC3)[nH]n2)c1 ZINC001608990620 1351809643 /nfs/dbraw/zinc/80/96/43/1351809643.db2.gz HOXUVEQMFQSVLF-UHFFFAOYSA-N -2 0 325.346 2.159 20 0 EEADRL O=C([O-])[C@]12CCC[C@H]1N(C(=O)c1cc(F)c(F)c([O-])c1F)CC2 ZINC001609027575 1351819012 /nfs/dbraw/zinc/81/90/12/1351819012.db2.gz FXDXJSUBVQLTRO-PSLIRLAXSA-N -2 0 329.274 2.279 20 0 EEADRL C[C@H](C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-])C1CCC1 ZINC001609635944 1352047411 /nfs/dbraw/zinc/04/74/11/1352047411.db2.gz JWOFPEQNRURVQM-QMMMGPOBSA-N -2 0 345.804 2.279 20 0 EEADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CC1CCC(C)(C)CC1 ZINC001609639068 1352047911 /nfs/dbraw/zinc/04/79/11/1352047911.db2.gz QEZYAZZLMQLRKE-QWRGUYRKSA-N -2 0 333.450 2.148 20 0 EEADRL C[C@H]1CC=C(C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CC1 ZINC001609844792 1352099310 /nfs/dbraw/zinc/09/93/10/1352099310.db2.gz MMCCNLSFAZKXGT-NSHDSACASA-N -2 0 337.397 2.077 20 0 EEADRL CC[C@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001609899090 1352114312 /nfs/dbraw/zinc/11/43/12/1352114312.db2.gz BRWWUAALBKFFHY-QWRGUYRKSA-N -2 0 327.402 2.013 20 0 EEADRL CCc1cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])ccc1F ZINC001610060619 1352152735 /nfs/dbraw/zinc/15/27/35/1352152735.db2.gz VLIIAZXQGOAJHD-UHFFFAOYSA-N -2 0 330.362 2.344 20 0 EEADRL CCc1ccc([N-]S(=O)(=O)c2cc(C)cnc2N)c(C(=O)[O-])c1 ZINC001610062559 1352153075 /nfs/dbraw/zinc/15/30/75/1352153075.db2.gz ISUIXRDLRPZGJG-UHFFFAOYSA-N -2 0 335.385 2.034 20 0 EEADRL Cc1oc(CN(C)C(=O)c2s[n-]c(=O)c2Cl)cc1C(=O)[O-] ZINC001610582724 1352248807 /nfs/dbraw/zinc/24/88/07/1352248807.db2.gz YOZAPHBBEAPHQA-UHFFFAOYSA-N -2 0 330.749 2.374 20 0 EEADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)s1 ZINC001610822742 1352280902 /nfs/dbraw/zinc/28/09/02/1352280902.db2.gz XEVRTHKQYMLMPV-UHFFFAOYSA-N -2 0 345.785 2.218 20 0 EEADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)[C@@H]1CC2CCC1CC2 ZINC001610877394 1352289310 /nfs/dbraw/zinc/28/93/10/1352289310.db2.gz VTTDHBWWAQDFOA-UDNWOFFPSA-N -2 0 343.426 2.078 20 0 EEADRL Cc1cc(CNS(=O)(=O)c2ccc(F)c(F)c2F)oc1C(=O)[O-] ZINC001600210518 1349993811 /nfs/dbraw/zinc/99/38/11/1349993811.db2.gz SJPPTVDYQWAQFW-UHFFFAOYSA-N -2 0 349.286 2.182 20 0 EEADRL Cc1ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c2ccccc12 ZINC001600341917 1350024721 /nfs/dbraw/zinc/02/47/21/1350024721.db2.gz FNDQKIVJCNUWOM-UHFFFAOYSA-N -2 0 335.381 2.073 20 0 EEADRL Cc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(C)c1 ZINC001600342117 1350024768 /nfs/dbraw/zinc/02/47/68/1350024768.db2.gz KXHSQWSNURJWJR-UHFFFAOYSA-N -2 0 333.365 2.120 20 0 EEADRL Cc1oc(CNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)cc1C(=O)[O-] ZINC001600848980 1350151144 /nfs/dbraw/zinc/15/11/44/1350151144.db2.gz KKGCVRKWTWFQGV-NSHDSACASA-N -2 0 340.376 2.222 20 0 EEADRL O=C([O-])[C@@H](NC(=O)c1ccc2oc(=S)[n-]c2c1)c1ccccn1 ZINC001601402857 1350275431 /nfs/dbraw/zinc/27/54/31/1350275431.db2.gz ZENHZCDHEFXAQT-LBPRGKRZSA-N -2 0 329.337 2.067 20 0 EEADRL O=C([O-])c1ccc(Cl)cc1NC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001601588544 1350313836 /nfs/dbraw/zinc/31/38/36/1350313836.db2.gz IZOFOTZBVKNSCC-IONNQARKSA-N -2 0 326.736 2.413 20 0 EEADRL O=C([O-])C1CC2(C1)CN(C(=O)[C@@H]1CCCC[C@@H]1C1CC1)C[C@@H]2C(=O)[O-] ZINC001601778963 1350362845 /nfs/dbraw/zinc/36/28/45/1350362845.db2.gz FZIIGAKHPGQXJS-HCHPWLPISA-N -2 0 349.427 2.227 20 0 EEADRL O=C([O-])CCCc1nc(COC(=O)c2ccc([O-])c(Cl)c2)no1 ZINC001602000465 1350414829 /nfs/dbraw/zinc/41/48/29/1350414829.db2.gz LMPIAOTVVQEDLB-UHFFFAOYSA-N -2 0 340.719 2.193 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)Oc2ccc(Cl)c(Cl)c2)[n-]n1 ZINC001602297953 1350487854 /nfs/dbraw/zinc/48/78/54/1350487854.db2.gz ATBOZHCMSUIBQW-UHFFFAOYSA-N -2 0 337.140 2.182 20 0 EEADRL CC(=O)c1cccc(S(=O)(=O)[N-]c2c(C)ccc(C(=O)[O-])c2O)c1 ZINC001603123339 1350645252 /nfs/dbraw/zinc/64/52/52/1350645252.db2.gz JJTPVDPRADKYME-UHFFFAOYSA-N -2 0 349.364 2.402 20 0 EEADRL CC(C)(C)c1ccnc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)n1 ZINC001603545590 1350717814 /nfs/dbraw/zinc/71/78/14/1350717814.db2.gz BNWQNADPYOVARX-UHFFFAOYSA-N -2 0 341.414 2.335 20 0 EEADRL C[C@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001604727276 1350992222 /nfs/dbraw/zinc/99/22/22/1350992222.db2.gz YSPQADYUUZOLMV-IUCAKERBSA-N -2 0 331.415 2.078 20 0 EEADRL CC[C@](C)(CC(=O)[O-])NC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001604902480 1351028959 /nfs/dbraw/zinc/02/89/59/1351028959.db2.gz ZHCBNUSJAGDXEO-MRXNPFEDSA-N -2 0 335.335 2.090 20 0 EEADRL CCCC1(C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CCC1 ZINC001605220897 1351108247 /nfs/dbraw/zinc/10/82/47/1351108247.db2.gz GHJNPMDYLVLQMN-UHFFFAOYSA-N -2 0 339.413 2.301 20 0 EEADRL CCCN(C)c1ccccc1[N-]S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001605305506 1351130911 /nfs/dbraw/zinc/13/09/11/1351130911.db2.gz RJEZWCKDHFLCPZ-UHFFFAOYSA-N -2 0 349.412 2.427 20 0 EEADRL COc1c(C)ccc([N-]S(=O)(=O)c2cccnc2C(=O)[O-])c1C ZINC001607013533 1351396767 /nfs/dbraw/zinc/39/67/67/1351396767.db2.gz JWXGDCFBPXBJOE-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL COc1cc(C)c(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001607147647 1351438069 /nfs/dbraw/zinc/43/80/69/1351438069.db2.gz OQANKRARDMNXDB-UHFFFAOYSA-N -2 0 325.342 2.404 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)[O-])c2)c(C)c1F ZINC001607289851 1351465836 /nfs/dbraw/zinc/46/58/36/1351465836.db2.gz BYTOQOSQRDRBIX-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL C[C@]1(C(=O)[O-])[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC001607483139 1351501581 /nfs/dbraw/zinc/50/15/81/1351501581.db2.gz YCBLUYNVBLFUJT-XHUUTOEUSA-N -2 0 329.352 2.165 20 0 EEADRL Cc1cccc(C[C@@H](CNC(=O)c2ccc(C(=O)[O-])cc2)C(=O)[O-])c1 ZINC001607849863 1351571319 /nfs/dbraw/zinc/57/13/19/1351571319.db2.gz ORCOXBLFKHDJEP-INIZCTEOSA-N -2 0 341.363 2.367 20 0 EEADRL Cc1nc2ccc([N-]S(=O)(=O)c3cnc(C)c(C(=O)[O-])c3)cc2o1 ZINC001607974434 1351596272 /nfs/dbraw/zinc/59/62/72/1351596272.db2.gz MGQRZNIQBIJFHB-UHFFFAOYSA-N -2 0 347.352 2.339 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2n[nH]c3cccc(F)c32)cc1C(=O)[O-] ZINC001608057306 1351615666 /nfs/dbraw/zinc/61/56/66/1351615666.db2.gz UXZUXKRRFZLVMO-UHFFFAOYSA-N -2 0 339.304 2.102 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc2c(c1)CCC=C2 ZINC000910181660 786514560 /nfs/dbraw/zinc/51/45/60/786514560.db2.gz DAJWOAHEUMFJKX-LSDHHAIUSA-N -2 0 329.352 2.036 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(C(F)F)cc2)C1 ZINC000910186258 786518568 /nfs/dbraw/zinc/51/85/68/786518568.db2.gz PDEIMXQLFOPQIV-MNOVXSKESA-N -2 0 327.283 2.014 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc2sccc2c1 ZINC000910192412 786523635 /nfs/dbraw/zinc/52/36/35/786523635.db2.gz PLXFBGVPRFSMBN-NWDGAFQWSA-N -2 0 333.365 2.291 20 0 EEADRL O=S(=O)([O-])c1ccc(S(=O)(=O)[O-])c(Nc2ccccc2F)c1 ZINC001173847289 797642400 /nfs/dbraw/zinc/64/24/00/797642400.db2.gz WKOPINQZXIDNHX-UHFFFAOYSA-N -2 0 347.345 2.063 20 0 EEADRL O=C([O-])c1ccc([N-]c2nonc2-c2cn3ccncc3n2)s1 ZINC001174807109 797896267 /nfs/dbraw/zinc/89/62/67/797896267.db2.gz IMHZSSANNCOBED-UHFFFAOYSA-N -2 0 328.313 2.283 20 0 EEADRL O=C([O-])c1cncc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)c1 ZINC001175843092 798245475 /nfs/dbraw/zinc/24/54/75/798245475.db2.gz YPBWFVOKKWLFHT-UHFFFAOYSA-N -2 0 328.733 2.424 20 0 EEADRL COC(=O)Cc1ccc(O)c(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176241815 798392695 /nfs/dbraw/zinc/39/26/95/798392695.db2.gz ZFMIPTAESRTNLL-UHFFFAOYSA-N -2 0 345.307 2.248 20 0 EEADRL O=C(CCC(=O)c1ccc(F)cc1F)NCCCC[P@](=O)([O-])O ZINC001181467434 800797679 /nfs/dbraw/zinc/79/76/79/800797679.db2.gz UKZLLJBURUVEFP-UHFFFAOYSA-N -2 0 349.270 2.002 20 0 EEADRL CSc1nccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n1 ZINC001184659327 802121096 /nfs/dbraw/zinc/12/10/96/802121096.db2.gz FTTYVIFTRMSJEJ-UHFFFAOYSA-N -2 0 339.398 2.006 20 0 EEADRL Cc1ccccc1C(F)(F)C[N-]S(=O)(=O)[C@H]1CCC[C@H]1C(=O)[O-] ZINC001465114842 804146429 /nfs/dbraw/zinc/14/64/29/804146429.db2.gz IFHBCAYZGMGRAB-YPMHNXCESA-N -2 0 347.383 2.260 20 0 EEADRL O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001601569896 971019045 /nfs/dbraw/zinc/01/90/45/971019045.db2.gz QYDDHEHMTRKKKM-NEPJUHHUSA-N -2 0 349.774 2.214 20 0 EEADRL C[C@@H](CC(=O)[O-])NC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC001589001009 955324412 /nfs/dbraw/zinc/32/44/12/955324412.db2.gz ACXVQISVPMBNFG-YFKPBYRVSA-N -2 0 336.569 2.401 20 0 EEADRL O=C([O-])c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])cc1Cl ZINC000036081530 957224392 /nfs/dbraw/zinc/22/43/92/957224392.db2.gz LOIPIHGAVCSRDZ-BCWBERDBSA-N -2 0 335.743 2.500 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)nc1 ZINC000390707338 972299773 /nfs/dbraw/zinc/29/97/73/972299773.db2.gz HOZJVTQGNMEKOE-UHFFFAOYSA-N -2 0 332.381 2.459 20 0 EEADRL O=C([O-])C1(CNC(=O)c2cc(Br)c(F)cc2[O-])CCC1 ZINC001574562935 962020351 /nfs/dbraw/zinc/02/03/51/962020351.db2.gz ZJSAOSCPANFODJ-UHFFFAOYSA-N -2 0 346.152 2.279 20 0 EEADRL O=C([O-])c1ccc(NC(=O)c2cc(F)c(F)c([O-])c2F)cc1O ZINC000320035435 970605348 /nfs/dbraw/zinc/60/53/48/970605348.db2.gz QDLSRTOARFNSOM-UHFFFAOYSA-N -2 0 327.214 2.466 20 0 EEADRL CCCCc1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)o1 ZINC001595798720 982610581 /nfs/dbraw/zinc/61/05/81/982610581.db2.gz FSBYDWHXKDXZSS-UHFFFAOYSA-N -2 0 339.373 2.220 20 0 EEADRL O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC001594963710 982715781 /nfs/dbraw/zinc/71/57/81/982715781.db2.gz VLXIBOBLBKAWFD-CQSZACIVSA-N -2 0 333.290 2.495 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cn2)c(C)c1 ZINC001597137621 986877054 /nfs/dbraw/zinc/87/70/54/986877054.db2.gz LYKBGGACJKXOGR-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)NCc2cccc(C(=O)[O-])c2)C1 ZINC001589609502 987454243 /nfs/dbraw/zinc/45/42/43/987454243.db2.gz FMEOVSQWGQDADW-CQSZACIVSA-N -2 0 348.399 2.417 20 0 EEADRL CC(C)(C(=O)[O-])c1csc(NC(=O)NCCCCCC(=O)[O-])n1 ZINC001589655955 987617543 /nfs/dbraw/zinc/61/75/43/987617543.db2.gz FULOAVOQZGEINO-UHFFFAOYSA-N -2 0 343.405 2.272 20 0 EEADRL CCc1csc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(OC)c2)n1 ZINC001597638455 988623944 /nfs/dbraw/zinc/62/39/44/988623944.db2.gz BTCCSAHMPBBYLE-UHFFFAOYSA-N -2 0 342.398 2.213 20 0 EEADRL C[C@@H](O)[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1c([O-])cccc1F ZINC001599843194 988884688 /nfs/dbraw/zinc/88/46/88/988884688.db2.gz CYWSEGSJLUPZPD-BZNIZROVSA-N -2 0 347.342 2.008 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)[nH]nc1C(F)F ZINC001597785729 989305467 /nfs/dbraw/zinc/30/54/67/989305467.db2.gz PXPDQWBIJZWBTI-UHFFFAOYSA-N -2 0 349.315 2.310 20 0 EEADRL CC(C)(C)OC(=O)c1cc(C(=O)Nc2ccc(CC(=O)[O-])cc2)n[n-]1 ZINC001590362625 989814560 /nfs/dbraw/zinc/81/45/60/989814560.db2.gz BWZWUVGKOZZKHJ-UHFFFAOYSA-N -2 0 345.355 2.244 20 0 EEADRL CC(C)(C)OC(=O)c1cc(C(=O)Nc2cc(C(=O)[O-])cs2)n[n-]1 ZINC001590363409 989823584 /nfs/dbraw/zinc/82/35/84/989823584.db2.gz XSLWRRFRMCQTKA-UHFFFAOYSA-N -2 0 337.357 2.377 20 0 EEADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)on1 ZINC001590461593 990029719 /nfs/dbraw/zinc/02/97/19/990029719.db2.gz FINMPKGXBYODTE-UHFFFAOYSA-N -2 0 338.385 2.400 20 0 EEADRL COc1cccnc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001599720304 991526240 /nfs/dbraw/zinc/52/62/40/991526240.db2.gz PGLAPXNINNBUTK-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL CC(C)C[C@@H](CNC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)C(=O)[O-] ZINC001591149143 991887967 /nfs/dbraw/zinc/88/79/67/991887967.db2.gz CBNHMPQGAMUSKY-AWEZNQCLSA-N -2 0 336.388 2.273 20 0 EEADRL CC(C)C[C@@H](CNC(=O)Nc1cc(C(=O)[O-])ccc1F)C(=O)[O-] ZINC001591150953 991895498 /nfs/dbraw/zinc/89/54/98/991895498.db2.gz XIXYXCAPFMUHNG-JTQLQIEISA-N -2 0 326.324 2.392 20 0 EEADRL CC(C)CN(CC(C)(C)C(=O)[O-])S(=O)(=O)c1cc([O-])cc(F)c1 ZINC001591314279 992281066 /nfs/dbraw/zinc/28/10/66/992281066.db2.gz QYOQVBIIPIIBKP-UHFFFAOYSA-N -2 0 347.408 2.289 20 0 EEADRL COCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnccc1C ZINC001599294135 997108919 /nfs/dbraw/zinc/10/89/19/997108919.db2.gz ZISQFFJZRCJGKE-UHFFFAOYSA-N -2 0 336.369 2.035 20 0 EEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1noc2ccccc21 ZINC001599503546 997170982 /nfs/dbraw/zinc/17/09/82/997170982.db2.gz YQZFHBILNWZUTF-UHFFFAOYSA-N -2 0 348.336 2.335 20 0 EEADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2sccc2C(=O)[O-])s1 ZINC001598990879 998736200 /nfs/dbraw/zinc/73/62/00/998736200.db2.gz QIBCXXCFWAQJRL-UHFFFAOYSA-N -2 0 347.395 2.095 20 0 EEADRL C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@H]2N1C(=O)c1cccc(Cl)c1[O-] ZINC001594336129 999290200 /nfs/dbraw/zinc/29/02/00/999290200.db2.gz HMHAZEDWKVCJKS-WRSRJMLGSA-N -2 0 339.775 2.281 20 0 EEADRL C[C@H]1CCC[C@]1(C)C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001594356267 999345609 /nfs/dbraw/zinc/34/56/09/999345609.db2.gz APQBHNXRGZTZOM-ZBEGNZNMSA-N -2 0 339.413 2.157 20 0 EEADRL C[C@H]1CCC[C@H]1CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001594357770 999352456 /nfs/dbraw/zinc/35/24/56/999352456.db2.gz OTBHJGXVKPWYCB-FZMZJTMJSA-N -2 0 339.413 2.157 20 0 EEADRL C[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001594363934 999374688 /nfs/dbraw/zinc/37/46/88/999374688.db2.gz PBFKTLMUPQJKJY-BXUZGUMPSA-N -2 0 339.413 2.157 20 0 EEADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000079701168 217249023 /nfs/dbraw/zinc/24/90/23/217249023.db2.gz FKARGTPTBVTZCY-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL CCc1onc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000270470091 256138514 /nfs/dbraw/zinc/13/85/14/256138514.db2.gz YZIFLKIESIKMLV-UHFFFAOYSA-N -2 0 340.357 2.058 20 0 EEADRL Cc1cc(C(=O)Nc2ccc3ncccc3c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000172634142 152103840 /nfs/dbraw/zinc/10/38/40/152103840.db2.gz ZIEGPZVUKFFROE-UHFFFAOYSA-N -2 0 347.334 2.133 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCO3)s1 ZINC000354972561 163038019 /nfs/dbraw/zinc/03/80/19/163038019.db2.gz GEOVOFRQNMMLTR-UHFFFAOYSA-N -2 0 341.366 2.284 20 0 EEADRL CC[C@H](C)N(CC(=O)[O-])C(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC000236946559 274084990 /nfs/dbraw/zinc/08/49/90/274084990.db2.gz YTDYQSAXGSHHKP-NSHDSACASA-N -2 0 349.362 2.351 20 0 EEADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)n1 ZINC000263555831 301307741 /nfs/dbraw/zinc/30/77/41/301307741.db2.gz OEOZUNAEOMSJES-JTQLQIEISA-N -2 0 347.346 2.103 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)c(F)cc1F ZINC000436641680 314982755 /nfs/dbraw/zinc/98/27/55/314982755.db2.gz WRXSZVUDMVIJQY-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])cc1 ZINC000536685283 318008585 /nfs/dbraw/zinc/00/85/85/318008585.db2.gz MULDEVUFZDVQSB-SNVBAGLBSA-N -2 0 337.401 2.433 20 0 EEADRL Cc1c2cc(F)ccc2oc1S(=O)(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000548554756 318395825 /nfs/dbraw/zinc/39/58/25/318395825.db2.gz JPTUOYIPCWNLLT-GFCCVEGCSA-N -2 0 327.333 2.022 20 0 EEADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cn(C)c(C(C)C)n1 ZINC000562967505 318950675 /nfs/dbraw/zinc/95/06/75/318950675.db2.gz FZPKTSXODFQXSX-UHFFFAOYSA-N -2 0 337.401 2.351 20 0 EEADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccccc2OC)c1 ZINC000336871530 465064467 /nfs/dbraw/zinc/06/44/67/465064467.db2.gz MQHJIINANZHGAO-UHFFFAOYSA-N -2 0 337.353 2.203 20 0 EEADRL CCc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000339073964 465065838 /nfs/dbraw/zinc/06/58/38/465065838.db2.gz DAUUYYXIEGSUOA-UHFFFAOYSA-N -2 0 340.357 2.053 20 0 EEADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc3c2CCO3)c1 ZINC000358503099 465163190 /nfs/dbraw/zinc/16/31/90/465163190.db2.gz NCUWULYUFOSFKF-UHFFFAOYSA-N -2 0 325.367 2.182 20 0 EEADRL CCc1nn(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1CC ZINC000091021379 462820928 /nfs/dbraw/zinc/82/09/28/462820928.db2.gz KVMCYHVZGFCEHP-UHFFFAOYSA-N -2 0 337.401 2.044 20 0 EEADRL COC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000042792626 463598067 /nfs/dbraw/zinc/59/80/67/463598067.db2.gz IPDGVIYVDBCESV-UHFFFAOYSA-N -2 0 349.364 2.281 20 0 EEADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(CC)nc1 ZINC000269492387 464000044 /nfs/dbraw/zinc/00/00/44/464000044.db2.gz TWENUDUTOJORTL-UHFFFAOYSA-N -2 0 335.385 2.100 20 0 EEADRL CC(C)Oc1c([N-]S(=O)(=O)C[C@@H]2CCCO2)cccc1C(=O)[O-] ZINC000282035477 464676509 /nfs/dbraw/zinc/67/65/09/464676509.db2.gz QLMLHODVWKHPIA-NSHDSACASA-N -2 0 343.401 2.093 20 0 EEADRL C[C@H]([C@@H](NS(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-])C1CC1 ZINC000554676756 468436641 /nfs/dbraw/zinc/43/66/41/468436641.db2.gz KISWJCGYQYNBQO-JVXZTZIISA-N -2 0 335.784 2.257 20 0 EEADRL Cn1nccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C)cc1C(=O)[O-] ZINC000340093170 465761417 /nfs/dbraw/zinc/76/14/17/465761417.db2.gz FRPBQSXAJKCYQP-UHFFFAOYSA-N -2 0 337.401 2.217 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2[nH]c(=O)[nH]c21 ZINC000357344446 465966503 /nfs/dbraw/zinc/96/65/03/465966503.db2.gz WHWHDZCFRJCVHZ-UHFFFAOYSA-N -2 0 347.352 2.076 20 0 EEADRL O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000332323311 466508594 /nfs/dbraw/zinc/50/85/94/466508594.db2.gz NYKLKKCTRGWXGA-SSDOTTSWSA-N -2 0 341.726 2.293 20 0 EEADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2n[nH]cc21 ZINC000316087403 466568429 /nfs/dbraw/zinc/56/84/29/466568429.db2.gz JKIKELZHACJPKX-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL CC(C)n1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)n1 ZINC000319167158 466594796 /nfs/dbraw/zinc/59/47/96/466594796.db2.gz LHTGIWSAEBGXGP-UHFFFAOYSA-N -2 0 327.337 2.102 20 0 EEADRL CC(C)Cn1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2F)cn1 ZINC000585118860 468979600 /nfs/dbraw/zinc/97/96/00/468979600.db2.gz FRFCXEMFMJKFEN-UHFFFAOYSA-N -2 0 341.364 2.177 20 0 EEADRL CC(C)(C[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)CC(=O)[O-] ZINC000650409449 470873274 /nfs/dbraw/zinc/87/32/74/470873274.db2.gz VVAJZLDOAYBBOH-UHFFFAOYSA-N -2 0 343.298 2.022 20 0 EEADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000192702783 534505415 /nfs/dbraw/zinc/50/54/15/534505415.db2.gz IQMUIFBQOLFTIF-UHFFFAOYSA-N -2 0 327.308 2.393 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2cccc3cnccc32)sc1C(=O)[O-] ZINC000738363184 576347305 /nfs/dbraw/zinc/34/73/05/576347305.db2.gz FFYZKGGATXDVBN-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL O=C([O-])CC1CCN(C(=O)c2cccc(Br)c2[O-])CC1 ZINC000738562343 576591969 /nfs/dbraw/zinc/59/19/69/576591969.db2.gz BZXGTBWWNAYEGW-UHFFFAOYSA-N -2 0 342.189 2.482 20 0 EEADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c1C(=O)[O-] ZINC000738827070 578027967 /nfs/dbraw/zinc/02/79/67/578027967.db2.gz HREJBOZCDSTSDH-UHFFFAOYSA-N -2 0 331.300 2.155 20 0 EEADRL O=C([O-])CCc1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000739767639 578067141 /nfs/dbraw/zinc/06/71/41/578067141.db2.gz WOZHSFXHYIAXST-UHFFFAOYSA-N -2 0 349.364 2.203 20 0 EEADRL CC(C)n1cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])cn1 ZINC000736533393 578209862 /nfs/dbraw/zinc/20/98/62/578209862.db2.gz XXCOFXFCOSEFEQ-UHFFFAOYSA-N -2 0 327.337 2.102 20 0 EEADRL C[C@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000827212224 600679950 /nfs/dbraw/zinc/67/99/50/600679950.db2.gz DDPOAJRISYGUEY-MRVPVSSYSA-N -2 0 341.414 2.415 20 0 EEADRL C/C(=C/C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)C(C)(C)C ZINC000825724835 600944271 /nfs/dbraw/zinc/94/42/71/600944271.db2.gz VTLSQELRPOOZLZ-NTMALXAHSA-N -2 0 325.386 2.182 20 0 EEADRL COc1ncc(C)cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000225420180 601333546 /nfs/dbraw/zinc/33/35/46/601333546.db2.gz ZOHXLSLCSPAKES-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL COc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC000832562273 601382763 /nfs/dbraw/zinc/38/27/63/601382763.db2.gz MBQXDWIQUXIFPL-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1O ZINC000832972813 601486358 /nfs/dbraw/zinc/48/63/58/601486358.db2.gz JGZKGXCAVPTPHT-UHFFFAOYSA-N -2 0 342.760 2.248 20 0 EEADRL CCCc1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)s1 ZINC000829573913 601503366 /nfs/dbraw/zinc/50/33/66/601503366.db2.gz KXPOQSVZVCNMDX-UHFFFAOYSA-N -2 0 341.414 2.298 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)c1C(=O)[O-] ZINC000832972571 601847945 /nfs/dbraw/zinc/84/79/45/601847945.db2.gz GJZDPGREAYMPBE-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL COCc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)c1 ZINC000831821763 602117632 /nfs/dbraw/zinc/11/76/32/602117632.db2.gz GFHHOXHECNIXMR-UHFFFAOYSA-N -2 0 327.383 2.394 20 0 EEADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)cc1 ZINC000831444617 602117911 /nfs/dbraw/zinc/11/79/11/602117911.db2.gz HTJMJBVFMSMJBO-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL Cn1c(Cl)ncc1S(=O)(=O)[N-]c1ccc(F)c(NC(=O)[O-])c1 ZINC000833038989 602199121 /nfs/dbraw/zinc/19/91/21/602199121.db2.gz BKXLXDUMWKIHCR-UHFFFAOYSA-N -2 0 348.743 2.103 20 0 EEADRL CC[C@@](C)(CC(=O)[O-])NC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000828653108 602299403 /nfs/dbraw/zinc/29/94/03/602299403.db2.gz VTWCNXIXSDUNED-INIZCTEOSA-N -2 0 335.335 2.090 20 0 EEADRL CCCc1cc([N-]S(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)n[nH]1 ZINC000322212972 602305643 /nfs/dbraw/zinc/30/56/43/602305643.db2.gz QIJDYVQGRXBGCH-TWGQIWQCSA-N -2 0 335.385 2.261 20 0 EEADRL CCCc1cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])n[nH]1 ZINC000829566322 602306120 /nfs/dbraw/zinc/30/61/20/602306120.db2.gz IGEOTCXTKIXOMO-UHFFFAOYSA-N -2 0 327.337 2.000 20 0 EEADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCC[C@H]2CC(=O)[O-])n1 ZINC000832889490 604670687 /nfs/dbraw/zinc/67/06/87/604670687.db2.gz HGUBYGRFKGVMBM-LBPRGKRZSA-N -2 0 347.346 2.105 20 0 EEADRL CC1(C)CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000833557645 605086505 /nfs/dbraw/zinc/08/65/05/605086505.db2.gz ULBWLMSAGQCWFG-ZDUSSCGKSA-N -2 0 339.413 2.157 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)c(C)c1F ZINC000833734481 605265673 /nfs/dbraw/zinc/26/56/73/605265673.db2.gz HAGJSIYAROYLPS-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL O=C(Nc1ccn2ccnc2c1)c1ccccc1OP(=O)([O-])[O-] ZINC001189872653 1280531096 /nfs/dbraw/zinc/53/10/96/1280531096.db2.gz XFVAZJLIYYRUEJ-UHFFFAOYSA-N -2 0 333.240 2.058 20 0 EEADRL CC[C@@H](C)C[C@@H](C)NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189932556 1280582286 /nfs/dbraw/zinc/58/22/86/1280582286.db2.gz DBZUBAZZQFQXTB-NXEZZACHSA-N -2 0 343.401 2.186 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(O)c2)c(F)cc1F ZINC001195185879 1283472985 /nfs/dbraw/zinc/47/29/85/1283472985.db2.gz UZRFOIYPNVDLKS-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2cc(C)ccn2)cc1C(=O)[O-] ZINC000319929603 1299320321 /nfs/dbraw/zinc/32/03/21/1299320321.db2.gz FWIPGJNJYFVRMA-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ncnc3sccc32)c1 ZINC001260183421 1319818863 /nfs/dbraw/zinc/81/88/63/1319818863.db2.gz QGPYWBLTGUHLBI-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL C[C@H](O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC001260209052 1319831866 /nfs/dbraw/zinc/83/18/66/1319831866.db2.gz PGSRBXQGKASQEQ-VIFPVBQESA-N -2 0 339.344 2.378 20 0 EEADRL Cn1ccc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)cnc21 ZINC001260209759 1319833080 /nfs/dbraw/zinc/83/30/80/1319833080.db2.gz SBGCGZJSKSJADS-UHFFFAOYSA-N -2 0 349.343 2.211 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc3c(c2)OCC3)c1 ZINC001260216006 1319833587 /nfs/dbraw/zinc/83/35/87/1319833587.db2.gz MHIIJPZVFVYOTE-UHFFFAOYSA-N -2 0 337.328 2.260 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)Nc2ccc([S-])cc2)ccc1O ZINC001260399032 1319884513 /nfs/dbraw/zinc/88/45/13/1319884513.db2.gz OTNPQZRVWKPQOF-UHFFFAOYSA-N -2 0 325.367 2.180 20 0 EEADRL O=C([O-])C1(CCCCNS(=O)(=O)c2ccccc2[O-])CCC1 ZINC001608569277 1351717935 /nfs/dbraw/zinc/71/79/35/1351717935.db2.gz ASKUMKRIGCOPMY-UHFFFAOYSA-N -2 0 327.402 2.096 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)Nc2ccc(C(F)F)cc2)C1 ZINC001608617089 1351726550 /nfs/dbraw/zinc/72/65/50/1351726550.db2.gz WGMIRLHPYNOEHL-MWLCHTKSSA-N -2 0 342.298 2.406 20 0 EEADRL C/C(=C/C(C)(C)C)C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001609497949 1351999514 /nfs/dbraw/zinc/99/95/14/1351999514.db2.gz PSOOHWJBURVIRB-LUAWRHEFSA-N -2 0 339.413 2.323 20 0 EEADRL CCC(C)(C)c1ccc(NC(=O)C(=O)[N-]OCCCC(=O)[O-])cc1 ZINC001609892281 1352112573 /nfs/dbraw/zinc/11/25/73/1352112573.db2.gz GCFMHCLBXPAERP-UHFFFAOYSA-N -2 0 336.388 2.225 20 0 EEADRL CC[C@@](C)(NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C(=O)[O-] ZINC001609896641 1352113506 /nfs/dbraw/zinc/11/35/06/1352113506.db2.gz WHIDRDGXFRBXMG-OAHLLOKOSA-N -2 0 337.763 2.214 20 0 EEADRL CCc1cnc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)s1 ZINC001610069235 1352154909 /nfs/dbraw/zinc/15/49/09/1352154909.db2.gz STOIFUGWUKCDMJ-UHFFFAOYSA-N -2 0 326.399 2.133 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)noc1CC ZINC001610077254 1352157150 /nfs/dbraw/zinc/15/71/50/1352157150.db2.gz KVKYPPAQAVLJMH-UHFFFAOYSA-N -2 0 328.346 2.200 20 0 EEADRL CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC001610226124 1352190263 /nfs/dbraw/zinc/19/02/63/1352190263.db2.gz LHGYXODKCQHJIC-SNVBAGLBSA-N -2 0 336.369 2.288 20 0 EEADRL Cc1c(NC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)ccc(F)c1C(=O)[O-] ZINC001610421037 1352219932 /nfs/dbraw/zinc/21/99/32/1352219932.db2.gz LLZWMROTYNAUMJ-SCZZXKLOSA-N -2 0 338.335 2.407 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2ncccc2OC(F)F)cc1C(=O)[O-] ZINC001610587516 1352249906 /nfs/dbraw/zinc/24/99/06/1352249906.db2.gz MSYBZLAZFXBRBO-UHFFFAOYSA-N -2 0 348.283 2.083 20 0 EEADRL Cn1cc([N-]S(=O)(=O)c2cc(Cl)ccc2F)cc1C(=O)[O-] ZINC001610605953 1352252889 /nfs/dbraw/zinc/25/28/89/1352252889.db2.gz ZZCSXLXDLQCVTI-UHFFFAOYSA-N -2 0 332.740 2.317 20 0 EEADRL Cn1nc(C2CCCC2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001610614260 1352254270 /nfs/dbraw/zinc/25/42/70/1352254270.db2.gz UVGPPFPYFYASJG-UHFFFAOYSA-N -2 0 339.373 2.170 20 0 EEADRL O=C([O-])[C@H]([N-]C(=O)C(F)(F)F)c1ccc(Br)cc1 ZINC001610717130 1352264037 /nfs/dbraw/zinc/26/40/37/1352264037.db2.gz DDAORDMPMHTYDV-SSDOTTSWSA-N -2 0 326.068 2.253 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)c2cc(Cl)cs2)c1 ZINC001610849723 1352285169 /nfs/dbraw/zinc/28/51/69/1352285169.db2.gz GGHFUSYYFJPNBP-UHFFFAOYSA-N -2 0 345.785 2.218 20 0 EEADRL N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000013078566 1352317832 /nfs/dbraw/zinc/31/78/32/1352317832.db2.gz FYSQHBPIPWJHDR-UHFFFAOYSA-N -2 0 330.365 2.376 20 0 EEADRL CC(C)C[C@@H](CNC(=O)c1nn(-c2cccc(F)c2)cc1[O-])C(=O)[O-] ZINC001591160261 1349443284 /nfs/dbraw/zinc/44/32/84/1349443284.db2.gz OZRYBDBZFJHKJS-NSHDSACASA-N -2 0 349.362 2.194 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cccc(C(C)C)c2)cnn1CC(=O)[O-] ZINC001600054485 1349962574 /nfs/dbraw/zinc/96/25/74/1349962574.db2.gz CBANKCCAKSZUTB-UHFFFAOYSA-N -2 0 337.401 2.200 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cccc([C@H](C)C(=O)[O-])c2)sn1 ZINC001600301221 1350014625 /nfs/dbraw/zinc/01/46/25/1350014625.db2.gz RPVPBJHWWORZBP-VIFPVBQESA-N -2 0 326.399 2.440 20 0 EEADRL Cc1ccc(-c2nc(CS(=O)(=O)c3ncc(C(=O)[O-])[n-]3)co2)cc1 ZINC001600316382 1350018894 /nfs/dbraw/zinc/01/88/94/1350018894.db2.gz CWVXSGXCCMFTPD-UHFFFAOYSA-N -2 0 347.352 2.045 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc2c(cn1)CCC2 ZINC001600362483 1350030540 /nfs/dbraw/zinc/03/05/40/1350030540.db2.gz IQFKCEGMUFFCDA-UHFFFAOYSA-N -2 0 332.381 2.378 20 0 EEADRL Cc1ccc([C@H](C)NC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1 ZINC001600368652 1350031479 /nfs/dbraw/zinc/03/14/79/1350031479.db2.gz PPOGUXIQQYLRMN-IACUBPJLSA-N -2 0 334.372 2.015 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cn(C)nc2C(C)C)c(C(=O)[O-])c1 ZINC001600483811 1350062854 /nfs/dbraw/zinc/06/28/54/1350062854.db2.gz WPNUKIURVUWGIJ-UHFFFAOYSA-N -2 0 337.401 2.351 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2nc(CCC(=O)[O-])cs2)c1F ZINC001600550626 1350079926 /nfs/dbraw/zinc/07/99/26/1350079926.db2.gz IOSXDAIGLAYJQX-UHFFFAOYSA-N -2 0 344.389 2.409 20 0 EEADRL Cc1ccccc1[C@H](C)CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001600568893 1350085016 /nfs/dbraw/zinc/08/50/16/1350085016.db2.gz OUZCYGQFOMPCMY-GFCCVEGCSA-N -2 0 341.429 2.045 20 0 EEADRL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001600611176 1350097249 /nfs/dbraw/zinc/09/72/49/1350097249.db2.gz BWEVVZYJSIIGJH-UHFFFAOYSA-N -2 0 347.352 2.273 20 0 EEADRL CC1N=NC(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2)=C1[O-] ZINC001600667044 1350113538 /nfs/dbraw/zinc/11/35/38/1350113538.db2.gz OZTONKMEAYJYGN-UHFFFAOYSA-N -2 0 340.133 2.137 20 0 EEADRL Cc1nc(C(C)C)[nH]c(=O)c1C(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001600688502 1350116512 /nfs/dbraw/zinc/11/65/12/1350116512.db2.gz RPENYKDAROAUMT-DIFFPNOSSA-N -2 0 333.388 2.083 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2ccccc2-c2cn[nH]c2)cc1C(=O)[O-] ZINC001600856480 1350153357 /nfs/dbraw/zinc/15/33/57/1350153357.db2.gz ALFYHJNPJCUVTN-UHFFFAOYSA-N -2 0 347.352 2.477 20 0 EEADRL O=C([O-])[C@H](CNC(=O)[C@@H](C(=O)[O-])C1CCCC1)c1ccc(F)cc1 ZINC001601648562 1350327823 /nfs/dbraw/zinc/32/78/23/1350327823.db2.gz MMNWRQZEPDYXIG-KGLIPLIRSA-N -2 0 337.347 2.001 20 0 EEADRL O=C([O-])[C@@H](CNS(=O)(=O)c1cc([O-])cc(F)c1)CC1CCCC1 ZINC001601650545 1350328409 /nfs/dbraw/zinc/32/84/09/1350328409.db2.gz DMGKDOZTMNECEQ-LLVKDONJSA-N -2 0 345.392 2.091 20 0 EEADRL O=C([O-])[C@H]1C[C@H](O)CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C1 ZINC001601765171 1350358915 /nfs/dbraw/zinc/35/89/15/1350358915.db2.gz OGUJCOKBTCDZSS-UWVGGRQHSA-N -2 0 349.770 2.106 20 0 EEADRL O=C([O-])C[C@@H](NS(=O)(=O)c1cccc(Cl)c1[O-])C1CCCC1 ZINC001601910085 1350395188 /nfs/dbraw/zinc/39/51/88/1350395188.db2.gz XTGQXICMRHUQTQ-LLVKDONJSA-N -2 0 347.820 2.357 20 0 EEADRL O=C([O-])C[C@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])C1CCCC1 ZINC001601907659 1350395392 /nfs/dbraw/zinc/39/53/92/1350395392.db2.gz QBKLUVKMCCRCDK-AWEZNQCLSA-N -2 0 343.383 2.341 20 0 EEADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC001602324624 1350494331 /nfs/dbraw/zinc/49/43/31/1350494331.db2.gz ULDIYHHTXCZTQG-UHFFFAOYSA-N -2 0 345.785 2.218 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccnn2C2CCC2)cc1F ZINC001602385243 1350507762 /nfs/dbraw/zinc/50/77/62/1350507762.db2.gz ARJOGMPRYANFSB-UHFFFAOYSA-N -2 0 339.348 2.246 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)c1 ZINC001602556620 1350545621 /nfs/dbraw/zinc/54/56/21/1350545621.db2.gz JFQCREYSMSAMGF-GFCCVEGCSA-N -2 0 341.772 2.077 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)c1 ZINC001602558872 1350546063 /nfs/dbraw/zinc/54/60/63/1350546063.db2.gz GOEFGNTXAXZHNV-UHFFFAOYSA-N -2 0 347.352 2.023 20 0 EEADRL CC(C)[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001603752758 1350757740 /nfs/dbraw/zinc/75/77/40/1350757740.db2.gz QBZUEDPMORAWOP-IUCAKERBSA-N -2 0 345.804 2.135 20 0 EEADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C1 ZINC001604653057 1350977839 /nfs/dbraw/zinc/97/78/39/1350977839.db2.gz UMSANQXKPBWMKB-NXEZZACHSA-N -2 0 345.355 2.441 20 0 EEADRL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1C ZINC001604975591 1351043213 /nfs/dbraw/zinc/04/32/13/1351043213.db2.gz GSMDPZBVYBYQOP-MRVPVSSYSA-N -2 0 327.362 2.255 20 0 EEADRL CCOC(=O)CCc1c(C)[n-]n(-c2ccc(C)c(C(=O)[O-])c2)c1=O ZINC001605537613 1351184082 /nfs/dbraw/zinc/18/40/82/1351184082.db2.gz HBVWPNOCAMAUGO-ZDUSSCGKSA-N -2 0 332.356 2.375 20 0 EEADRL CCc1cc(C(=O)[O-])ccc1NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC001605790216 1351223290 /nfs/dbraw/zinc/22/32/90/1351223290.db2.gz PJWYJJFQYFBBEP-UHFFFAOYSA-N -2 0 346.305 2.343 20 0 EEADRL COC(=O)c1ccsc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC001606622865 1351333484 /nfs/dbraw/zinc/33/34/84/1351333484.db2.gz HEIUOFIXXYSZHW-UHFFFAOYSA-N -2 0 347.395 2.095 20 0 EEADRL Cc1csc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)c1C(=O)[O-] ZINC001607932578 1351588385 /nfs/dbraw/zinc/58/83/85/1351588385.db2.gz NJXGXRLKGPFEAV-SECBINFHSA-N -2 0 326.374 2.473 20 0 EEADRL Cc1n[nH]c(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001607936916 1351589926 /nfs/dbraw/zinc/58/99/26/1351589926.db2.gz NLECNOAPROIGHU-UHFFFAOYSA-N -2 0 347.755 2.318 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)Oc2ccccc2C(=O)[O-])c1C(=O)[O-] ZINC001608042899 1351612402 /nfs/dbraw/zinc/61/24/02/1351612402.db2.gz FMAXPKODROUGTR-UHFFFAOYSA-N -2 0 340.309 2.061 20 0 EEADRL Cc1sc(C)c(C(=O)[O-])c1NC(=O)C(=O)[N-]OC1CCCCC1 ZINC001608065986 1351617705 /nfs/dbraw/zinc/61/77/05/1351617705.db2.gz ZHDBZAJQQREAAF-UHFFFAOYSA-N -2 0 340.401 2.382 20 0 EEADRL O=C(/C=C/C1CCCCCC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001608284058 1351663101 /nfs/dbraw/zinc/66/31/01/1351663101.db2.gz YYBAONIMBGIFQE-BQYQJAHWSA-N -2 0 341.385 2.309 20 0 EEADRL Cc1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c(C)n1 ZINC001187548767 1368250121 /nfs/dbraw/zinc/25/01/21/1368250121.db2.gz YNAPLJMGCQRKKI-UHFFFAOYSA-N -2 0 341.776 2.246 20 0 EEADRL O=C(Nc1ccc(OCc2nnn[n-]2)cc1)c1cc(F)c([O-])c(F)c1 ZINC000436520750 1409860364 /nfs/dbraw/zinc/86/03/64/1409860364.db2.gz ABMTUAGEFUXRCR-UHFFFAOYSA-N -2 0 347.281 2.015 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c(O)c1 ZINC000918063457 768876651 /nfs/dbraw/zinc/87/66/51/768876651.db2.gz ZMGRPDCBDSNDEU-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL CC[C@@H](C)[C@@H](C)C(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000182933737 780071510 /nfs/dbraw/zinc/07/15/10/780071510.db2.gz RJTJFGBSUWLJLF-VXGBXAGGSA-N -2 0 330.388 2.021 20 0 EEADRL CSC[C@@H](NS(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000906005488 783637400 /nfs/dbraw/zinc/63/74/00/783637400.db2.gz RSSFWRNTQXVRBF-SSDOTTSWSA-N -2 0 344.241 2.088 20 0 EEADRL CC(C)c1ccc(-c2nc(C(=O)[N-]n3c(=O)[n-][nH]c3=O)cs2)cc1 ZINC000816731552 784209384 /nfs/dbraw/zinc/20/93/84/784209384.db2.gz VWWPXTOWMNGQJQ-UHFFFAOYSA-N -2 0 345.384 2.320 20 0 EEADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CC(C)(C(=O)[O-])C3)n2)cc1 ZINC000910059614 786423198 /nfs/dbraw/zinc/42/31/98/786423198.db2.gz RPBLHKPJQCIAGK-UHFFFAOYSA-N -2 0 343.383 2.248 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cccc(C(F)F)c2)C1 ZINC000910182432 786514460 /nfs/dbraw/zinc/51/44/60/786514460.db2.gz IDIFFAKLTPYMBR-GHMZBOCLSA-N -2 0 327.283 2.014 20 0 EEADRL Cc1c(C(=O)[O-])oc2c1C(=NNC(=O)c1ccc(O)cc1)CCC2 ZINC000254572621 788444926 /nfs/dbraw/zinc/44/49/26/788444926.db2.gz IKOYOPWXSNGXCO-UHFFFAOYSA-N -2 0 328.324 2.462 20 0 EEADRL COC(=O)c1ccc(OC)c(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001176238596 798390672 /nfs/dbraw/zinc/39/06/72/798390672.db2.gz JRWAHFDJQMGICL-UHFFFAOYSA-N -2 0 346.295 2.017 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])c1Cl ZINC000863957728 955925654 /nfs/dbraw/zinc/92/56/54/955925654.db2.gz FSOPCVRGHBVTBV-UHFFFAOYSA-N -2 0 333.793 2.098 20 0 EEADRL C[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(Br)c(F)cc2[O-])C1 ZINC001589193731 956607056 /nfs/dbraw/zinc/60/70/56/956607056.db2.gz SRDTXGQVKGHYKY-CYBMUJFWSA-N -2 0 346.152 2.231 20 0 EEADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)N[C@@H](CC(C)C)C(=O)[O-])n2)c1 ZINC001594365958 958487734 /nfs/dbraw/zinc/48/77/34/958487734.db2.gz ACBVOEMIFYPUFD-LBPRGKRZSA-N -2 0 349.362 2.255 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2ncccc2C(=O)[O-])c(C)c1F ZINC001594111518 958510155 /nfs/dbraw/zinc/51/01/55/958510155.db2.gz AVGLUJBOXRSDIV-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL CC(C)C[C@@H](NC(=O)c1cccc(Br)c1[O-])C(=O)[O-] ZINC001573529032 959156361 /nfs/dbraw/zinc/15/63/61/959156361.db2.gz HOGSGTJDDXNONU-SNVBAGLBSA-N -2 0 330.178 2.384 20 0 EEADRL C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001573711861 959854677 /nfs/dbraw/zinc/85/46/77/959854677.db2.gz PNGUZMONSLHLLX-QWRGUYRKSA-N -2 0 347.346 2.042 20 0 EEADRL CC(C)(C)OC(=O)c1cc(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)n[n-]1 ZINC001588726828 961066340 /nfs/dbraw/zinc/06/63/40/961066340.db2.gz QFWIRZCKQHNAAO-UHFFFAOYSA-N -2 0 347.327 2.021 20 0 EEADRL CC[C@H](C(=O)[O-])N(C)C(=O)c1cc(Br)cc(F)c1[O-] ZINC001603492180 973433902 /nfs/dbraw/zinc/43/39/02/973433902.db2.gz HSNGZJASNLZVNM-SECBINFHSA-N -2 0 334.141 2.229 20 0 EEADRL O=C([O-])[C@H]1CCCCN1C(=O)c1cc(Br)cc(F)c1[O-] ZINC001606441853 973889419 /nfs/dbraw/zinc/88/94/19/973889419.db2.gz VFEDEWKZZIVXLA-SNVBAGLBSA-N -2 0 346.152 2.373 20 0 EEADRL CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC001591708836 975575921 /nfs/dbraw/zinc/57/59/21/975575921.db2.gz BUQQKABPADVXHU-NSHDSACASA-N -2 0 338.385 2.067 20 0 EEADRL C[C@@](CCF)(NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])C(=O)[O-] ZINC001592498564 978312284 /nfs/dbraw/zinc/31/22/84/978312284.db2.gz YXNSLMINUUGUKR-KRWDZBQOSA-N -2 0 349.314 2.397 20 0 EEADRL CCC[C@@H](C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])c1ccc(Cl)cc1 ZINC001595536045 981380150 /nfs/dbraw/zinc/38/01/50/981380150.db2.gz NDZYVCQLYNKJCR-BXKDBHETSA-N -2 0 347.820 2.143 20 0 EEADRL CC[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]OCCCC(=O)[O-] ZINC001594945180 982631577 /nfs/dbraw/zinc/63/15/77/982631577.db2.gz OIQMNSRQNFCBHO-NEPJUHHUSA-N -2 0 346.424 2.229 20 0 EEADRL CCOC(=O)c1[n-]c(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)nc1Cl ZINC001596691649 984807941 /nfs/dbraw/zinc/80/79/41/984807941.db2.gz NQZHMSJBKWXLJK-SFYZADRCSA-N -2 0 343.767 2.069 20 0 EEADRL CC(=CCl)CS(=O)(=O)C(C)=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C ZINC001588991524 984915124 /nfs/dbraw/zinc/91/51/24/984915124.db2.gz XWGFILMPBIGPPV-STUBTGCMSA-N -2 0 347.820 2.458 20 0 EEADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCC1CCCCCC1 ZINC001589454395 986877953 /nfs/dbraw/zinc/87/79/53/986877953.db2.gz VPOGXZFPKYYRAU-RYUDHWBXSA-N -2 0 333.450 2.292 20 0 EEADRL C[C@@H](C(=O)[O-])N(C(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C1CCC1 ZINC001589479863 987015308 /nfs/dbraw/zinc/01/53/08/987015308.db2.gz YLHCTSDIHZZRKE-JTQLQIEISA-N -2 0 347.346 2.185 20 0 EEADRL CC(C)(C)C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001589784603 988167951 /nfs/dbraw/zinc/16/79/51/988167951.db2.gz YFDXHNVWLJGVOG-DTWKUNHWSA-N -2 0 345.442 2.324 20 0 EEADRL CCn1nc(C)c([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])c1C ZINC001597939357 989918473 /nfs/dbraw/zinc/91/84/73/989918473.db2.gz URYVTOQGQMQGJG-UHFFFAOYSA-N -2 0 337.401 2.327 20 0 EEADRL C[C@@](NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])(C(=O)[O-])C1CC1 ZINC001593155509 993968562 /nfs/dbraw/zinc/96/85/62/993968562.db2.gz DFMVDYTVQHZKQA-SFHVURJKSA-N -2 0 343.335 2.448 20 0 EEADRL COCc1nc([N-]S(=O)(=O)c2cccc(C)c2)sc1C(=O)[O-] ZINC001599302966 997264509 /nfs/dbraw/zinc/26/45/09/997264509.db2.gz BPZSQTCLZYANHY-UHFFFAOYSA-N -2 0 342.398 2.097 20 0 EEADRL COc1ccc([C@H]([N-]C(=O)C(F)(F)C(F)F)C(=O)[O-])cc1Cl ZINC001599521596 997490221 /nfs/dbraw/zinc/49/02/21/997490221.db2.gz XDPBGKRQKUAGLI-QMMMGPOBSA-N -2 0 343.660 2.491 20 0 EEADRL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cccc(CCC(=O)[O-])c2)C1 ZINC001594209921 998814213 /nfs/dbraw/zinc/81/42/13/998814213.db2.gz KLAHXTGBQUEMCO-AAEUAGOBSA-N -2 0 334.372 2.278 20 0 EEADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001549304474 1121197376 /nfs/dbraw/zinc/19/73/76/1121197376.db2.gz VYTAOKSQJGOODY-MJBXVCDLSA-N -2 0 333.384 2.060 20 0 EEADRL O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)[C@H]2CC[C@@H]2C(=O)[O-])C1 ZINC001550906911 1124170014 /nfs/dbraw/zinc/17/00/14/1124170014.db2.gz PGSFNDIUPLNFOC-XBFCOCLRSA-N -2 0 331.368 2.168 20 0 EEADRL Cc1cccc([C@@H]([N-]S(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-])c1C ZINC000275022790 539703406 /nfs/dbraw/zinc/70/34/06/539703406.db2.gz BFHRPTGAXVKQFF-MWLCHTKSSA-N -2 0 339.335 2.299 20 0 EEADRL Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000343862562 161175577 /nfs/dbraw/zinc/17/55/77/161175577.db2.gz NWNKILBUEJPGGR-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(F)ccc1O ZINC000345699121 161323690 /nfs/dbraw/zinc/32/36/90/161323690.db2.gz UHYCXPKZHSEXTP-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000352436555 162133959 /nfs/dbraw/zinc/13/39/59/162133959.db2.gz IHZRZDQXPHWWQL-JTQLQIEISA-N -2 0 337.401 2.108 20 0 EEADRL CCc1ncc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)s1 ZINC000359104936 164060202 /nfs/dbraw/zinc/06/02/02/164060202.db2.gz NWJPRUPNDUQPFL-UHFFFAOYSA-N -2 0 330.362 2.344 20 0 EEADRL Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000360736362 164371592 /nfs/dbraw/zinc/37/15/92/164371592.db2.gz UAJNIPICTLACNH-UHFFFAOYSA-N -2 0 347.352 2.477 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cn[nH]c2)c(SCCC(=O)[O-])c1 ZINC000361980822 301647217 /nfs/dbraw/zinc/64/72/17/301647217.db2.gz MGNDOQATJUUMMT-UHFFFAOYSA-N -2 0 341.414 2.086 20 0 EEADRL O=C([O-])c1ccc(CC[N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000302808140 311551778 /nfs/dbraw/zinc/55/17/78/311551778.db2.gz HUUNIEYFCQZIFG-UHFFFAOYSA-N -2 0 341.335 2.184 20 0 EEADRL COc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000435718127 314919812 /nfs/dbraw/zinc/91/98/12/314919812.db2.gz VPDNXXSTSNBMCM-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000326372093 465038623 /nfs/dbraw/zinc/03/86/23/465038623.db2.gz FOPLNQRSDYIFRU-UHFFFAOYSA-N -2 0 346.364 2.374 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000336851843 465051234 /nfs/dbraw/zinc/05/12/34/465051234.db2.gz DIWANTQLILYYJC-UHFFFAOYSA-N -2 0 341.366 2.254 20 0 EEADRL COc1ncc(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000356475351 465406905 /nfs/dbraw/zinc/40/69/05/465406905.db2.gz IBMZIHWUBNVGGV-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL O=S(=O)([N-]c1cccc(-c2nn[nH]n2)c1)c1cc2ccccc2o1 ZINC000114604401 462663844 /nfs/dbraw/zinc/66/38/44/462663844.db2.gz VXSXSUHFZHWWQH-UHFFFAOYSA-N -2 0 341.352 2.414 20 0 EEADRL O=C(N=c1nc(-c2cccnc2)[n-]s1)c1c[n-]c2ccccc2c1=O ZINC000339728263 465472589 /nfs/dbraw/zinc/47/25/89/465472589.db2.gz RMZGTAMNHKWWTB-UHFFFAOYSA-N -2 0 349.375 2.116 20 0 EEADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc2c1OCO2 ZINC000337775577 465572460 /nfs/dbraw/zinc/57/24/60/465572460.db2.gz XKUFROZWKUHDBC-UHFFFAOYSA-N -2 0 335.337 2.223 20 0 EEADRL Cc1noc2ncc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3C)cc12 ZINC000357389953 465997422 /nfs/dbraw/zinc/99/74/22/465997422.db2.gz FWEVXOCFJSFAOO-UHFFFAOYSA-N -2 0 347.352 2.339 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C(F)F)c1 ZINC000361780876 466282845 /nfs/dbraw/zinc/28/28/45/466282845.db2.gz KFDQHAVFZITADK-UHFFFAOYSA-N -2 0 331.300 2.086 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)cn1 ZINC000349946813 466322306 /nfs/dbraw/zinc/32/23/06/466322306.db2.gz VIEHYWNPKPCWSU-UHFFFAOYSA-N -2 0 347.352 2.071 20 0 EEADRL O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000332323314 466509274 /nfs/dbraw/zinc/50/92/74/466509274.db2.gz NYKLKKCTRGWXGA-ZETCQYMHSA-N -2 0 341.726 2.293 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)nc1C ZINC000314962512 466556573 /nfs/dbraw/zinc/55/65/73/466556573.db2.gz ARAMXKGZOPQPFT-UHFFFAOYSA-N -2 0 343.792 2.364 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc2c[nH]nc21 ZINC000323362376 466637581 /nfs/dbraw/zinc/63/75/81/466637581.db2.gz XGBRWFFOODDJKQ-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)c1 ZINC000386508456 467389112 /nfs/dbraw/zinc/38/91/12/467389112.db2.gz CBQMRJMSVLSUJK-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL C[C@H]([C@H](NS(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-])C1CC1 ZINC000548990289 468164426 /nfs/dbraw/zinc/16/44/26/468164426.db2.gz FRLLSJDWAYLHCZ-MADCSZMMSA-N -2 0 335.784 2.257 20 0 EEADRL CC(C)c1nc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c[nH]1 ZINC000608007444 469754965 /nfs/dbraw/zinc/75/49/65/469754965.db2.gz MFZIVJRQUBHUFD-UHFFFAOYSA-N -2 0 327.337 2.171 20 0 EEADRL CC(C)(C)CN(CC(=O)[O-])C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000663137031 472369468 /nfs/dbraw/zinc/36/94/68/472369468.db2.gz PNUQODZDZWMYPX-UHFFFAOYSA-N -2 0 331.372 2.151 20 0 EEADRL CC(C)c1nc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])c[nH]1 ZINC000673884943 485569793 /nfs/dbraw/zinc/56/97/93/485569793.db2.gz MDLZLBIHEUVXTA-UHFFFAOYSA-N -2 0 345.327 2.310 20 0 EEADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cccc3ccc(C)nc32)c1C(=O)[O-] ZINC000738297531 576292060 /nfs/dbraw/zinc/29/20/60/576292060.db2.gz LMQBJLNYIXLNTP-UHFFFAOYSA-N -2 0 346.368 2.074 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2nc(C)c(C(=O)[O-])s2)cc1F ZINC000738069585 576387253 /nfs/dbraw/zinc/38/72/53/576387253.db2.gz MUDATSYENCVKED-UHFFFAOYSA-N -2 0 346.361 2.098 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)o1 ZINC000740187419 576388713 /nfs/dbraw/zinc/38/87/13/576388713.db2.gz JJGFAUNKJRWWGR-UHFFFAOYSA-N -2 0 336.247 2.192 20 0 EEADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccsc1 ZINC000737717242 577038031 /nfs/dbraw/zinc/03/80/31/577038031.db2.gz JPTQCKIXVHCCPW-UHFFFAOYSA-N -2 0 347.395 2.095 20 0 EEADRL CCCn1cc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cn1 ZINC000760362011 577661670 /nfs/dbraw/zinc/66/16/70/577661670.db2.gz ITUXASYNDHULLZ-UHFFFAOYSA-N -2 0 337.401 2.409 20 0 EEADRL CC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000748674021 577965715 /nfs/dbraw/zinc/96/57/15/577965715.db2.gz JBROESACZOHHBK-UHFFFAOYSA-N -2 0 335.337 2.094 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2cccc3cccnc32)sc1C(=O)[O-] ZINC000738864758 578029226 /nfs/dbraw/zinc/02/92/26/578029226.db2.gz BXYULWHXWICPRZ-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL O=C([O-])Nc1cccc(C(=O)[N-]S(=O)(=O)C2CCCCC2)c1 ZINC000740033823 578078142 /nfs/dbraw/zinc/07/81/42/578078142.db2.gz PHGMLADLJLGKCD-UHFFFAOYSA-N -2 0 326.374 2.169 20 0 EEADRL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1 ZINC000736300389 578194052 /nfs/dbraw/zinc/19/40/52/578194052.db2.gz XJWKNAVQEYDLSS-UHFFFAOYSA-N -2 0 337.401 2.066 20 0 EEADRL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cc1 ZINC000736722777 578220197 /nfs/dbraw/zinc/22/01/97/578220197.db2.gz DQQSRAOJWXTRMR-NSHDSACASA-N -2 0 333.365 2.206 20 0 EEADRL Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccsc1C(=O)[O-] ZINC000314299213 599873186 /nfs/dbraw/zinc/87/31/86/599873186.db2.gz YSEMWDQZMLWPJX-UHFFFAOYSA-N -2 0 342.354 2.464 20 0 EEADRL CCc1cnc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])s1 ZINC000830299522 600985489 /nfs/dbraw/zinc/98/54/89/600985489.db2.gz RYBPABPEBIOWQI-UHFFFAOYSA-N -2 0 330.387 2.414 20 0 EEADRL CSc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)nc1 ZINC000832781291 601230326 /nfs/dbraw/zinc/23/03/26/601230326.db2.gz RVUYMFWLPBZTQC-UHFFFAOYSA-N -2 0 328.371 2.204 20 0 EEADRL COc1ncc(C)cc1[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000832654739 601333735 /nfs/dbraw/zinc/33/37/35/601333735.db2.gz VTRRGYOOPJSSPD-UHFFFAOYSA-N -2 0 340.357 2.107 20 0 EEADRL COc1ncc(C)cc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000832654120 601333873 /nfs/dbraw/zinc/33/38/73/601333873.db2.gz IPNFJQFGAGHTAX-VMPITWQZSA-N -2 0 348.380 2.297 20 0 EEADRL CC(C)Cc1nnc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)s1 ZINC000230289277 601501962 /nfs/dbraw/zinc/50/19/62/601501962.db2.gz DZQLGHKAOXDBDU-UHFFFAOYSA-N -2 0 347.443 2.297 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)o1 ZINC000833323350 601605837 /nfs/dbraw/zinc/60/58/37/601605837.db2.gz FFDRCHAGXRSFAL-UHFFFAOYSA-N -2 0 333.325 2.169 20 0 EEADRL CCC[C@H](C)c1cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])n[nH]1 ZINC000829217107 602103233 /nfs/dbraw/zinc/10/32/33/602103233.db2.gz ZGRHXVPTVQKVKE-ZETCQYMHSA-N -2 0 344.418 2.269 20 0 EEADRL O=C([O-])CCc1csc([N-]S(=O)(=O)c2ccc(F)cc2)n1 ZINC000026423689 604622950 /nfs/dbraw/zinc/62/29/50/604622950.db2.gz HHRZWMARQSHWPO-UHFFFAOYSA-N -2 0 330.362 2.100 20 0 EEADRL CCc1cc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)o1 ZINC000830218789 604700286 /nfs/dbraw/zinc/70/02/86/604700286.db2.gz OWCDBCKCEQPXAA-UHFFFAOYSA-N -2 0 343.382 2.029 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2scc(C(=O)[O-])c2C)nc1C ZINC000833683043 605125733 /nfs/dbraw/zinc/12/57/33/605125733.db2.gz HUZQYNLIGBQKBE-UHFFFAOYSA-N -2 0 329.403 2.080 20 0 EEADRL CCOc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)ccc1OC ZINC000833660417 605185338 /nfs/dbraw/zinc/18/53/38/605185338.db2.gz MDPUCSSDXSYYAD-UHFFFAOYSA-N -2 0 341.341 2.186 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2)c(C(=O)[O-])c1 ZINC000833751376 605188944 /nfs/dbraw/zinc/18/89/44/605188944.db2.gz VVDWXRRQDXMJHO-UHFFFAOYSA-N -2 0 337.401 2.347 20 0 EEADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000863951826 1197935958 /nfs/dbraw/zinc/93/59/58/1197935958.db2.gz DISBWGOGSQUXOH-UHFFFAOYSA-N -2 0 333.793 2.036 20 0 EEADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000863951779 1197936459 /nfs/dbraw/zinc/93/64/59/1197936459.db2.gz SHIRZCIKPCIRQR-UHFFFAOYSA-N -2 0 333.793 2.036 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1O ZINC001185917618 1278868229 /nfs/dbraw/zinc/86/82/29/1278868229.db2.gz HCRTZOBADDRJCK-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)on1 ZINC001195194686 1283486515 /nfs/dbraw/zinc/48/65/15/1283486515.db2.gz KNWDXNMRUFGOMH-UHFFFAOYSA-N -2 0 332.284 2.014 20 0 EEADRL CCOC(=O)c1nnsc1[N-]c1cc(CC(=O)[O-])ccc1F ZINC001216678845 1297251576 /nfs/dbraw/zinc/25/15/76/1297251576.db2.gz DTMZDMVYAADQND-UHFFFAOYSA-N -2 0 325.321 2.225 20 0 EEADRL COc1ccc(COc2nc(=O)[n-]c(=O)[nH]2)cc1OC1CCCC1 ZINC001227569019 1301892908 /nfs/dbraw/zinc/89/29/08/1301892908.db2.gz SHDQJPFBXAARKQ-UHFFFAOYSA-N -2 0 333.344 2.192 20 0 EEADRL Cc1cnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc1N1CCCC1 ZINC001242158511 1309621246 /nfs/dbraw/zinc/62/12/46/1309621246.db2.gz BVCLZPWOERPHHG-UHFFFAOYSA-N -2 0 327.340 2.449 20 0 EEADRL CN1CCc2cccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2C1=O ZINC001242163347 1309624354 /nfs/dbraw/zinc/62/43/54/1309624354.db2.gz VCTMZMPITWLOLP-UHFFFAOYSA-N -2 0 325.320 2.378 20 0 EEADRL CC(C)c1cccc2cc(C(=O)NCCOP(=O)([O-])[O-])[nH]c21 ZINC001154102413 1316957552 /nfs/dbraw/zinc/95/75/52/1316957552.db2.gz UALNOLAXBOWDJB-UHFFFAOYSA-N -2 0 326.289 2.130 20 0 EEADRL COc1c(O)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260216767 1319834039 /nfs/dbraw/zinc/83/40/39/1319834039.db2.gz AXFDYTWHXHLACV-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL Cc1cc(=O)n(-c2ccc(-c3ccc(F)c(C(=O)[O-])c3F)nn2)[n-]1 ZINC001205073966 1322277570 /nfs/dbraw/zinc/27/75/70/1322277570.db2.gz BSKUYNLFJDJFGF-UHFFFAOYSA-N -2 0 332.266 2.233 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCC(C)(C)C2)oc1C(=O)[O-] ZINC001600297090 1350013793 /nfs/dbraw/zinc/01/37/93/1350013793.db2.gz JSYZVSHJBYEYAW-SNVBAGLBSA-N -2 0 343.401 2.308 20 0 EEADRL O=C([O-])CCCS(=O)(=O)[N-][C@H](C1CCCCC1)C(F)(F)F ZINC001608718244 1351748146 /nfs/dbraw/zinc/74/81/46/1351748146.db2.gz FXUIQXYLHODDIM-LLVKDONJSA-N -2 0 331.356 2.282 20 0 EEADRL CC1(C)CC=C(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])CC1 ZINC001609815213 1352092209 /nfs/dbraw/zinc/09/22/09/1352092209.db2.gz KVJZCJDAOAHIKG-UHFFFAOYSA-N -2 0 343.426 2.388 20 0 EEADRL CC[C@@H](C)C[C@@H](NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)C(=O)[O-] ZINC001609904429 1352115813 /nfs/dbraw/zinc/11/58/13/1352115813.db2.gz KHBXZJASFKFONR-IAQYHMDHSA-N -2 0 345.399 2.093 20 0 EEADRL CCc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)o1 ZINC001610069131 1352154181 /nfs/dbraw/zinc/15/41/81/1352154181.db2.gz MMCZRMZXKFUPML-UHFFFAOYSA-N -2 0 328.321 2.184 20 0 EEADRL COCc1nc([N-]S(=O)(=O)c2ccc(C)s2)sc1C(=O)[O-] ZINC001610273970 1352197605 /nfs/dbraw/zinc/19/76/05/1352197605.db2.gz NSRVCHQTNLQVFS-UHFFFAOYSA-N -2 0 348.427 2.158 20 0 EEADRL CSc1ccccc1S(=O)(=O)[N-]c1csnc1C(=O)[O-] ZINC001610389059 1352215005 /nfs/dbraw/zinc/21/50/05/1352215005.db2.gz ZVYUYSNOGRTVRQ-UHFFFAOYSA-N -2 0 330.412 2.364 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2c[nH]c(C(F)(F)F)c2)c(C(=O)[O-])[nH]1 ZINC001610475466 1352228969 /nfs/dbraw/zinc/22/89/69/1352228969.db2.gz NTMSSXBIJBSCKH-UHFFFAOYSA-N -2 0 337.279 2.169 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)C[C@H](C)CC(C)C ZINC001610581921 1352248806 /nfs/dbraw/zinc/24/88/06/1352248806.db2.gz XCBVDBOOBPMFQT-SECBINFHSA-N -2 0 331.390 2.163 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)sc1C ZINC001600296844 1350013422 /nfs/dbraw/zinc/01/34/22/1350013422.db2.gz HMVWLTJLDLSYSQ-GHMZBOCLSA-N -2 0 345.442 2.061 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cccc(N(C)C)c2C)oc1C(=O)[O-] ZINC001600301557 1350015186 /nfs/dbraw/zinc/01/51/86/1350015186.db2.gz QELMEEKLNXZNCJ-UHFFFAOYSA-N -2 0 338.385 2.461 20 0 EEADRL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])c(C)c1 ZINC001600342232 1350024750 /nfs/dbraw/zinc/02/47/50/1350024750.db2.gz MTABQUVVKQJLQY-UHFFFAOYSA-N -2 0 339.394 2.182 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(n1)CCC2 ZINC001600362482 1350030646 /nfs/dbraw/zinc/03/06/46/1350030646.db2.gz IOVJYBQAHXOYDH-UHFFFAOYSA-N -2 0 332.381 2.378 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c(N(C)C)n1 ZINC001600463591 1350058107 /nfs/dbraw/zinc/05/81/07/1350058107.db2.gz XNNZTLBOGIJQBQ-UHFFFAOYSA-N -2 0 349.412 2.263 20 0 EEADRL Cc1cnn(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001600635337 1350103271 /nfs/dbraw/zinc/10/32/71/1350103271.db2.gz LHJRICCAQHIBCM-UHFFFAOYSA-N -2 0 347.352 2.273 20 0 EEADRL Cc1csc(NC(=O)C[C@@]2(C(=O)[O-])CCSC2)c1C(=O)[O-] ZINC001600662679 1350112881 /nfs/dbraw/zinc/11/28/81/1350112881.db2.gz CFOGUWLMWVAVKK-ZDUSSCGKSA-N -2 0 329.399 2.291 20 0 EEADRL Cc1cscc1NC(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001600665897 1350112975 /nfs/dbraw/zinc/11/29/75/1350112975.db2.gz HOKJADSDEHDPLG-VOZQYIJBSA-N -2 0 338.385 2.086 20 0 EEADRL Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001600811402 1350141874 /nfs/dbraw/zinc/14/18/74/1350141874.db2.gz IAIYNDXWMJIBNR-UHFFFAOYSA-N -2 0 328.371 2.421 20 0 EEADRL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1scc(C(=O)[O-])c1C ZINC001600772765 1350132866 /nfs/dbraw/zinc/13/28/66/1350132866.db2.gz SJPPYQSDIGYTTA-UHFFFAOYSA-N -2 0 349.821 2.251 20 0 EEADRL O=C([O-])c1ccc(NS(=O)(=O)[N-]C(=O)C2=CCCCCC2)cc1 ZINC001601562618 1350307444 /nfs/dbraw/zinc/30/74/44/1350307444.db2.gz XNAFSZBHWPDBCO-UHFFFAOYSA-N -2 0 338.385 2.048 20 0 EEADRL O=C([O-])C1CC2(C1)CN(C(=O)c1sccc1Cl)C[C@@H]2C(=O)[O-] ZINC001601777946 1350362446 /nfs/dbraw/zinc/36/24/46/1350362446.db2.gz BAQPZRJQWAMBBQ-ZLJRZNNWSA-N -2 0 343.788 2.039 20 0 EEADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cccc3c2OCCC3)c1 ZINC001602140497 1350449101 /nfs/dbraw/zinc/44/91/01/1350449101.db2.gz CSCUAWAMAKLHLH-UHFFFAOYSA-N -2 0 347.392 2.440 20 0 EEADRL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccnn2CC2CCC2)c1 ZINC001602143340 1350449554 /nfs/dbraw/zinc/44/95/54/1350449554.db2.gz REGGIFWQVBIGPR-UHFFFAOYSA-N -2 0 349.412 2.111 20 0 EEADRL O=C([O-])Cc1sccc1C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC001602158673 1350454597 /nfs/dbraw/zinc/45/45/97/1350454597.db2.gz XSRPYDDWRNJHOP-UHFFFAOYSA-N -2 0 344.352 2.118 20 0 EEADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccc3c(n2)CCC3)c1 ZINC001602274413 1350483521 /nfs/dbraw/zinc/48/35/21/1350483521.db2.gz QXQKRXYRUCFXEO-UHFFFAOYSA-N -2 0 336.344 2.208 20 0 EEADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccnc(Cl)c2)c1 ZINC001602274517 1350483636 /nfs/dbraw/zinc/48/36/36/1350483636.db2.gz SZKGCKJBDQAPRO-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)oc1Cl ZINC001602295120 1350487152 /nfs/dbraw/zinc/48/71/52/1350487152.db2.gz XCCSHDLJMVVCLW-LURJTMIESA-N -2 0 343.735 2.487 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc3c(n2)CCC3)c1 ZINC001602365864 1350505022 /nfs/dbraw/zinc/50/50/22/1350505022.db2.gz DOFUYPCRIMCYPQ-UHFFFAOYSA-N -2 0 336.344 2.208 20 0 EEADRL O=C([O-])c1ccc(NS(=O)(=O)CC2(C(=O)[O-])CCCCC2)cc1 ZINC001602384043 1350507717 /nfs/dbraw/zinc/50/77/17/1350507717.db2.gz BPUKBGFSOOPMPX-UHFFFAOYSA-N -2 0 341.385 2.162 20 0 EEADRL O=C([O-])c1ccccc1CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC001602465574 1350525206 /nfs/dbraw/zinc/52/52/06/1350525206.db2.gz YTPDOSIPNLTSFN-KKUMJFAQSA-N -2 0 331.368 2.029 20 0 EEADRL CC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001603098675 1350639197 /nfs/dbraw/zinc/63/91/97/1350639197.db2.gz QYGDEAGHKDAUSP-UHFFFAOYSA-N -2 0 340.382 2.153 20 0 EEADRL C[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1ccc(Cl)cc1 ZINC001603173225 1350655194 /nfs/dbraw/zinc/65/51/94/1350655194.db2.gz HBRPFQDVNYKWNK-VIFPVBQESA-N -2 0 347.820 2.000 20 0 EEADRL CC[C@H]1CCCC[C@H]1OCC(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001604098778 1350856456 /nfs/dbraw/zinc/85/64/56/1350856456.db2.gz DWENDNMNEWDSDY-SWLSCSKDSA-N -2 0 345.403 2.262 20 0 EEADRL C[C@H]1CC=C(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC001604691203 1350986044 /nfs/dbraw/zinc/98/60/44/1350986044.db2.gz KIBIMNULZDRTTH-NSHDSACASA-N -2 0 337.397 2.077 20 0 EEADRL CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001604956124 1351038940 /nfs/dbraw/zinc/03/89/40/1351038940.db2.gz PUKXDXZTGDOWSL-MRVPVSSYSA-N -2 0 328.752 2.071 20 0 EEADRL CC[C@H](CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1ccccc1 ZINC001604980905 1351045018 /nfs/dbraw/zinc/04/50/18/1351045018.db2.gz PKLMSURTZWVFKV-GFCCVEGCSA-N -2 0 341.429 2.127 20 0 EEADRL CC[C@@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001605164143 1351092722 /nfs/dbraw/zinc/09/27/22/1351092722.db2.gz RXCOQACSMDANCB-MFKMUULPSA-N -2 0 325.386 2.016 20 0 EEADRL Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001605668624 1351214118 /nfs/dbraw/zinc/21/41/18/1351214118.db2.gz KBWUXKRAAZZKKE-UHFFFAOYSA-N -2 0 339.764 2.222 20 0 EEADRL Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)cc1C ZINC001607732359 1351548309 /nfs/dbraw/zinc/54/83/09/1351548309.db2.gz YKOCADYJTPQOFF-UHFFFAOYSA-N -2 0 347.392 2.261 20 0 EEADRL Cc1oc(S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)cc1C(=O)[O-] ZINC001608057160 1351615810 /nfs/dbraw/zinc/61/58/10/1351615810.db2.gz XRHLBPCILWTQGN-NSHDSACASA-N -2 0 341.307 2.296 20 0 EEADRL COC(=O)CCCS(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1[O-] ZINC001201912844 1368861633 /nfs/dbraw/zinc/86/16/33/1368861633.db2.gz NMZNRGJVRZTIMX-UHFFFAOYSA-N -2 0 342.200 2.394 20 0 EEADRL Cc1ccsc1CCCC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910181981 786514384 /nfs/dbraw/zinc/51/43/84/786514384.db2.gz GBAGLBKYXCEAFE-VXGBXAGGSA-N -2 0 339.413 2.156 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2csc3c2CCCC3)C1 ZINC000910186684 786518673 /nfs/dbraw/zinc/51/86/73/786518673.db2.gz VAQKQGYCFPYAOM-CABZTGNLSA-N -2 0 337.397 2.017 20 0 EEADRL C/C(=C/C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000910187130 786519357 /nfs/dbraw/zinc/51/93/57/786519357.db2.gz ABJIBYKQVSMTMK-PEVHHZDISA-N -2 0 335.331 2.005 20 0 EEADRL Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c(C)n1C(C)C ZINC000910187586 786520371 /nfs/dbraw/zinc/52/03/71/786520371.db2.gz FSOMMJJYTGYOCB-GXTWGEPZSA-N -2 0 336.388 2.076 20 0 EEADRL C[C@H](CC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1cccc(F)c1 ZINC000910188532 786521207 /nfs/dbraw/zinc/52/12/07/786521207.db2.gz KYXXQWGUNVRCHN-MPKXVKKWSA-N -2 0 337.347 2.096 20 0 EEADRL C[C@H](CCCc1ccccc1)C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910190728 786522979 /nfs/dbraw/zinc/52/29/79/786522979.db2.gz BWKHJVWTZLMCQK-VNQPRFMTSA-N -2 0 347.411 2.422 20 0 EEADRL Cc1cc(Cl)c(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1C ZINC000910191742 786523807 /nfs/dbraw/zinc/52/38/07/786523807.db2.gz LGAPSGMGGWUMPJ-ZWNOBZJWSA-N -2 0 339.775 2.347 20 0 EEADRL COC(=O)c1nc(OC)ccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176237604 798390109 /nfs/dbraw/zinc/39/01/09/798390109.db2.gz KMOKNPYZLOOVCZ-UHFFFAOYSA-N -2 0 346.295 2.017 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2ncc3ccccc3n2)cc1C(=O)[O-] ZINC001184659335 802120491 /nfs/dbraw/zinc/12/04/91/802120491.db2.gz FZWOEIHPLSGEDC-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL O=C([O-])c1cccc([N-]S(=O)(=O)C2=Cc3ccccc3OC2)c1O ZINC000788753864 807666415 /nfs/dbraw/zinc/66/64/15/807666415.db2.gz OTPMBRRBZZUBRG-UHFFFAOYSA-N -2 0 347.348 2.266 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c(F)cc1F ZINC000806566350 811924012 /nfs/dbraw/zinc/92/40/12/811924012.db2.gz BTWWCBLEZCLNEK-SNVBAGLBSA-N -2 0 341.282 2.129 20 0 EEADRL O=C([O-])CNC(=O)c1ccc(NC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000323851165 971046971 /nfs/dbraw/zinc/04/69/71/971046971.db2.gz MPWFBLGNWRHBLU-UHFFFAOYSA-N -2 0 348.742 2.112 20 0 EEADRL CN(C)c1ncccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000324774669 971156183 /nfs/dbraw/zinc/15/61/83/971156183.db2.gz DQFKAXKWQAJYGC-YFHOEESVSA-N -2 0 347.396 2.046 20 0 EEADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1nc2ccccc2[nH]1 ZINC000326145015 971270657 /nfs/dbraw/zinc/27/06/57/971270657.db2.gz UVECNXOGBNNJPT-UHFFFAOYSA-N -2 0 347.352 2.071 20 0 EEADRL C[C@@H]1CCN(C(=O)c2cccc(Br)c2[O-])C[C@H]1C(=O)[O-] ZINC001589350287 954074793 /nfs/dbraw/zinc/07/47/93/954074793.db2.gz IZSOBNRDURTZKP-PSASIEDQSA-N -2 0 342.189 2.338 20 0 EEADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)N[C@H]3CCC[C@H]3C(=O)[O-])n2)c1 ZINC001594367062 958499342 /nfs/dbraw/zinc/49/93/42/958499342.db2.gz XSOSMRAFLGHLFR-PWSUYJOCSA-N -2 0 347.346 2.009 20 0 EEADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ncccc2F)c1 ZINC001187545423 960544740 /nfs/dbraw/zinc/54/47/40/960544740.db2.gz LGFHDAJMVFSMCG-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCC23CCCCC3)on1 ZINC000315421091 963899270 /nfs/dbraw/zinc/89/92/70/963899270.db2.gz OBMXMNPXQSWAKE-NSHDSACASA-N -2 0 328.390 2.154 20 0 EEADRL Cc1cccc([C@H](NC(=O)c2s[n-]c(=O)c2Cl)C(=O)[O-])c1 ZINC001594398851 970219881 /nfs/dbraw/zinc/21/98/81/970219881.db2.gz GDYGXCOMXVAPBO-VIFPVBQESA-N -2 0 326.761 2.366 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1C ZINC000321158676 970749358 /nfs/dbraw/zinc/74/93/58/970749358.db2.gz WKBUGUYGXWSXBH-UHFFFAOYSA-N -2 0 340.313 2.304 20 0 EEADRL CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NCC1(C(=O)[O-])CC1 ZINC001591767197 975877673 /nfs/dbraw/zinc/87/76/73/975877673.db2.gz JZVKNAAOFRRQAG-UHFFFAOYSA-N -2 0 336.344 2.158 20 0 EEADRL CC(C)c1ccc(C(=O)N2C[C@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)cc1 ZINC001591942102 976465207 /nfs/dbraw/zinc/46/52/07/976465207.db2.gz LWLPLAKQICXBGF-XAUUPUKJSA-N -2 0 345.395 2.448 20 0 EEADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H](CC(=O)[O-])C2CC2)n1 ZINC000832889554 979052736 /nfs/dbraw/zinc/05/27/36/979052736.db2.gz IPSGTEHNJDQGBM-LBPRGKRZSA-N -2 0 347.346 2.009 20 0 EEADRL CCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC001595631193 981833889 /nfs/dbraw/zinc/83/38/89/981833889.db2.gz GVMBKCJDYOJNMR-SNVBAGLBSA-N -2 0 327.402 2.324 20 0 EEADRL CCCCC[C@@H](C)NC(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001595666347 982099000 /nfs/dbraw/zinc/09/90/00/982099000.db2.gz IQWDEEQVLQFGOG-QGXCKBJSSA-N -2 0 340.420 2.162 20 0 EEADRL Cc1[nH]c(C([O-])=CS(=O)(=O)C(C)(C)C(C)C)c(C)c1C(=O)[O-] ZINC001599948196 985564603 /nfs/dbraw/zinc/56/46/03/985564603.db2.gz WAPJSXSDULKNIJ-UHFFFAOYSA-N -2 0 329.418 2.362 20 0 EEADRL CC(C)(C)C[C@@H]([N-]S(=O)(=O)CC1(C(=O)[O-])CC1)C(F)(F)F ZINC001589751171 988049875 /nfs/dbraw/zinc/04/98/75/988049875.db2.gz ALXBGZPMOSLKJI-MRVPVSSYSA-N -2 0 331.356 2.138 20 0 EEADRL CCc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC001597578971 988376784 /nfs/dbraw/zinc/37/67/84/988376784.db2.gz NTTZMFARELENMV-UHFFFAOYSA-N -2 0 349.412 2.281 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC001597791811 989327022 /nfs/dbraw/zinc/32/70/22/989327022.db2.gz UOBXONDPWZLLCL-UHFFFAOYSA-N -3 0 339.325 2.039 20 0 EEADRL CC(C)(C)c1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cn1 ZINC001590493294 990095597 /nfs/dbraw/zinc/09/55/97/990095597.db2.gz JDABALPKZDFAQJ-UHFFFAOYSA-N -2 0 341.414 2.335 20 0 EEADRL CC(C)[C@H](C(=O)[O-])C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001590957368 991039933 /nfs/dbraw/zinc/03/99/33/991039933.db2.gz STQFXWYWWRBMHN-ZDUSSCGKSA-N -2 0 325.386 2.300 20 0 EEADRL CN(Cc1n[n-]c(=O)o1)[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001598536692 992847326 /nfs/dbraw/zinc/84/73/26/992847326.db2.gz KQUOWMUPLZVNNL-SNVBAGLBSA-N -2 0 331.250 2.052 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC(C)=C(C)C2)oc1C(=O)[O-] ZINC001594108801 998186799 /nfs/dbraw/zinc/18/67/99/998186799.db2.gz ANXDXCJXISYBCF-LLVKDONJSA-N -2 0 341.385 2.228 20 0 EEADRL C[C@H]1CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001594364271 999376362 /nfs/dbraw/zinc/37/63/62/999376362.db2.gz XFVVOHIGCNNFDT-VHSXEESVSA-N -2 0 345.442 2.468 20 0 EEADRL O=C([O-])c1coc(C(=O)Nc2nccc(Br)c2[O-])c1 ZINC001602551453 1118995732 /nfs/dbraw/zinc/99/57/32/1118995732.db2.gz ZBOYEUJHRGFHCS-UHFFFAOYSA-N -2 0 327.090 2.093 20 0 EEADRL CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(CC)c1 ZINC000270006960 539697936 /nfs/dbraw/zinc/69/79/36/539697936.db2.gz PQAKSQRDXFNZNU-UHFFFAOYSA-N -2 0 338.385 2.406 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2cnoc2CC)cc1C(=O)[O-] ZINC000337882115 140914847 /nfs/dbraw/zinc/91/48/47/140914847.db2.gz YXBNSLLYRHFKMQ-UHFFFAOYSA-N -2 0 340.357 2.135 20 0 EEADRL Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000359030906 164041687 /nfs/dbraw/zinc/04/16/87/164041687.db2.gz SBPMSIPFQCCUDA-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000263561106 278600790 /nfs/dbraw/zinc/60/07/90/278600790.db2.gz ROGPEYWWIOADFV-UHFFFAOYSA-N -2 0 343.298 2.165 20 0 EEADRL COc1ccsc1S(=O)(=O)N[C@@H]1CCCC[C@H]1CCC(=O)[O-] ZINC000297353155 294220029 /nfs/dbraw/zinc/22/00/29/294220029.db2.gz ZGXSNZCTZPBPQV-WDEREUQCSA-N -2 0 347.458 2.459 20 0 EEADRL Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c1 ZINC000436993317 315020914 /nfs/dbraw/zinc/02/09/14/315020914.db2.gz AWVBONZQLQYUKY-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000547910480 318333307 /nfs/dbraw/zinc/33/33/07/318333307.db2.gz MXTGFDZMIIOXMF-IMTBSYHQSA-N -2 0 345.726 2.336 20 0 EEADRL CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000566741286 319316953 /nfs/dbraw/zinc/31/69/53/319316953.db2.gz VMMTWJHIIAUXHF-UHFFFAOYSA-N -2 0 327.736 2.150 20 0 EEADRL Cc1nc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])CCCC3)c[nH]1 ZINC000328770128 465124304 /nfs/dbraw/zinc/12/43/04/465124304.db2.gz CJMOTMNQNMZFTL-UHFFFAOYSA-N -2 0 335.385 2.096 20 0 EEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C#N)ccc1C ZINC000063878767 462680305 /nfs/dbraw/zinc/68/03/05/462680305.db2.gz APXMMDSOARTRBF-UHFFFAOYSA-N -2 0 346.364 2.374 20 0 EEADRL O=C([O-])[C@@H](NS(=O)(=O)c1cc(F)ccc1F)c1cccs1 ZINC000129750165 462723163 /nfs/dbraw/zinc/72/31/63/462723163.db2.gz CVUDDUCWEBGXFK-NSHDSACASA-N -2 0 333.337 2.131 20 0 EEADRL Cc1noc(C)c1S(=O)(=O)[N-]c1c(F)ccc(C)c1C(=O)[O-] ZINC000090164091 462781700 /nfs/dbraw/zinc/78/17/00/462781700.db2.gz GQZFZDYJSMEBSY-UHFFFAOYSA-N -2 0 328.321 2.238 20 0 EEADRL CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c1C ZINC000076022556 462788202 /nfs/dbraw/zinc/78/82/02/462788202.db2.gz BBPJAQMFALNQJI-UHFFFAOYSA-N -2 0 337.401 2.327 20 0 EEADRL COCC(C)(C)CCCNS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000287234621 463842353 /nfs/dbraw/zinc/84/23/53/463842353.db2.gz OIFFMTIUGSHZAQ-UHFFFAOYSA-N -2 0 335.447 2.177 20 0 EEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)ccc1O ZINC000362436214 465736298 /nfs/dbraw/zinc/73/62/98/465736298.db2.gz ZNTQZLDIIUGDJC-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL CCOc1ccccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000353661465 466047584 /nfs/dbraw/zinc/04/75/84/466047584.db2.gz XKSSQVLOVAQYHY-UHFFFAOYSA-N -2 0 340.339 2.395 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cn(CC(C)C)cn2)c(C(=O)[O-])c1 ZINC000361972122 466449861 /nfs/dbraw/zinc/44/98/61/466449861.db2.gz PHEIAYJQDKEARV-UHFFFAOYSA-N -2 0 337.401 2.347 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c(O)c1 ZINC000321571465 466624019 /nfs/dbraw/zinc/62/40/19/466624019.db2.gz GWWVYIQOLOQFSF-UHFFFAOYSA-N -2 0 347.270 2.309 20 0 EEADRL COC(=O)c1cccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)c1 ZINC000325084687 466652363 /nfs/dbraw/zinc/65/23/63/466652363.db2.gz ZYZQTMDQRXPFIK-UHFFFAOYSA-N -2 0 349.364 2.281 20 0 EEADRL CC(C)(CCC(=O)[O-])NC(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000417787104 466935461 /nfs/dbraw/zinc/93/54/61/466935461.db2.gz KSGWQQGMCUJDRX-UHFFFAOYSA-N -2 0 340.430 2.453 20 0 EEADRL Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@]2(C)C(=O)[O-])c(F)c1 ZINC000404963433 467478905 /nfs/dbraw/zinc/47/89/05/467478905.db2.gz FQCBZFGWZNRZMH-UKRRQHHQSA-N -2 0 329.393 2.446 20 0 EEADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NC[C@H](C(=O)[O-])C(C)C)n1 ZINC000655567876 471386136 /nfs/dbraw/zinc/38/61/36/471386136.db2.gz WVBQWOYBFWRRFU-LBPRGKRZSA-N -2 0 349.362 2.112 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cnc(C2CC2)nc1 ZINC000675628643 486032451 /nfs/dbraw/zinc/03/24/51/486032451.db2.gz ISUXWJCKUWTZEW-UHFFFAOYSA-N -2 0 333.369 2.161 20 0 EEADRL Cc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1O ZINC000680809520 486052849 /nfs/dbraw/zinc/05/28/49/486052849.db2.gz HRNBGYAZTKBWMW-UHFFFAOYSA-N -2 0 337.353 2.214 20 0 EEADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000776505565 577461111 /nfs/dbraw/zinc/46/11/11/577461111.db2.gz ZYIQTWGSYWJEEA-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cncnc2)cc(Cl)c1Cl ZINC000767046303 577529611 /nfs/dbraw/zinc/52/96/11/577529611.db2.gz KRKIQQGGUWOOIQ-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL CCCn1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cn1 ZINC000743261900 577882347 /nfs/dbraw/zinc/88/23/47/577882347.db2.gz NDEYQWJMOIRBKT-UHFFFAOYSA-N -2 0 343.792 2.446 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])o1 ZINC000740188021 578084803 /nfs/dbraw/zinc/08/48/03/578084803.db2.gz YHNCQUVLWUVNER-UHFFFAOYSA-N -3 0 345.716 2.130 20 0 EEADRL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1 ZINC000321107934 600530247 /nfs/dbraw/zinc/53/02/47/600530247.db2.gz YDEDZEMHCSKVCX-UHFFFAOYSA-N -2 0 337.401 2.066 20 0 EEADRL Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)[O-])cc1C(=O)[O-] ZINC000832950628 600691161 /nfs/dbraw/zinc/69/11/61/600691161.db2.gz QSXOUUKNYUYJIS-UHFFFAOYSA-N -2 0 341.366 2.254 20 0 EEADRL C[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000828233508 600937870 /nfs/dbraw/zinc/93/78/70/600937870.db2.gz QCDRQQZZWWEGDN-DTWKUNHWSA-N -2 0 331.415 2.078 20 0 EEADRL COc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)c(C)c1 ZINC000391366478 600982543 /nfs/dbraw/zinc/98/25/43/600982543.db2.gz ZBGVIRNEVNWDMM-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(Cl)nc1 ZINC000831946495 601151285 /nfs/dbraw/zinc/15/12/85/601151285.db2.gz VNSGRCIRJNNLKA-UHFFFAOYSA-N -2 0 348.789 2.304 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)cc1C(=O)[O-] ZINC000833030430 601232370 /nfs/dbraw/zinc/23/23/70/601232370.db2.gz VSEUDSXIJOUMPI-UHFFFAOYSA-N -2 0 347.352 2.273 20 0 EEADRL Cn1cnc2cc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)ccc21 ZINC000833058974 601340229 /nfs/dbraw/zinc/34/02/29/601340229.db2.gz VNUNNWVBYIFJBD-UHFFFAOYSA-N -2 0 337.382 2.134 20 0 EEADRL CCCCc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)s1 ZINC000829440425 601502368 /nfs/dbraw/zinc/50/23/68/601502368.db2.gz KOQTVIGDRQIUAI-UHFFFAOYSA-N -2 0 347.443 2.441 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N[C@H](CC(=O)[O-])C2CC2)n1 ZINC000830269682 601563554 /nfs/dbraw/zinc/56/35/54/601563554.db2.gz BXCOZYISXFTJIG-CYBMUJFWSA-N -2 0 343.383 2.123 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2O)c1C(=O)[O-] ZINC000832953135 601617275 /nfs/dbraw/zinc/61/72/75/601617275.db2.gz NSLLCDBXNMNJMV-UHFFFAOYSA-N -2 0 325.342 2.409 20 0 EEADRL O=C([O-])C[C@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2[O-])CCO1 ZINC000833218139 601760468 /nfs/dbraw/zinc/76/04/68/601760468.db2.gz SMKOXVYMSYGEDO-ZETCQYMHSA-N -2 0 334.155 2.015 20 0 EEADRL Cc1ccc2cccc([N-]S(=O)(=O)c3csnc3C(=O)[O-])c2n1 ZINC000832962159 601839843 /nfs/dbraw/zinc/83/98/43/601839843.db2.gz RWPRQPFDXWNLEE-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])n[nH]c1C1CC1 ZINC000832972640 602103716 /nfs/dbraw/zinc/10/37/16/602103716.db2.gz IRQJWSVNOXIYKD-UHFFFAOYSA-N -2 0 335.385 2.403 20 0 EEADRL COc1ccsc1S(=O)(=O)[N-]c1ccc(CNC(=O)[O-])cc1 ZINC000832642839 602114499 /nfs/dbraw/zinc/11/44/99/602114499.db2.gz IQWXLMYSFBSCBM-UHFFFAOYSA-N -2 0 342.398 2.325 20 0 EEADRL CC(C)Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)n[nH]1 ZINC000826909993 602306142 /nfs/dbraw/zinc/30/61/42/602306142.db2.gz UKAQLQHXFSAWKQ-UHFFFAOYSA-N -2 0 329.403 2.169 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)o1 ZINC000833324499 602320554 /nfs/dbraw/zinc/32/05/54/602320554.db2.gz TVPOWZOOOQDIRF-UHFFFAOYSA-N -2 0 347.295 2.423 20 0 EEADRL COCCS(=O)(=O)[N-]c1c([O-])cc(Br)cc1Cl ZINC000905104048 694530403 /nfs/dbraw/zinc/53/04/03/694530403.db2.gz HPRSPWIGQXPTPH-UHFFFAOYSA-N -2 0 344.614 2.196 20 0 EEADRL Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]C(=O)CCC(=O)[O-] ZINC000863965478 1197940070 /nfs/dbraw/zinc/94/00/70/1197940070.db2.gz XYFUHUZKWRLXRA-UHFFFAOYSA-N -2 0 341.429 2.271 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccnn1CC1CC1 ZINC001185877819 1278845411 /nfs/dbraw/zinc/84/54/11/1278845411.db2.gz VNMUAUCDCXAZMQ-UHFFFAOYSA-N -2 0 335.385 2.101 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)n(CC2CC2)n1 ZINC001185879710 1278848892 /nfs/dbraw/zinc/84/88/92/1278848892.db2.gz SDZXPYILPPPSIR-UHFFFAOYSA-N -2 0 349.412 2.409 20 0 EEADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ncc(F)s2)cc1 ZINC001192106306 1281801614 /nfs/dbraw/zinc/80/16/14/1281801614.db2.gz ALPDNAJYCSCWNY-UHFFFAOYSA-N -2 0 330.362 2.100 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cs1 ZINC001192114435 1281804806 /nfs/dbraw/zinc/80/48/06/1281804806.db2.gz YRNYFMXMWPDKTG-UHFFFAOYSA-N -2 0 326.399 2.270 20 0 EEADRL O=C(Nc1nc[n-]c(=O)c1Br)c1ccc(F)c([O-])c1F ZINC001193770087 1282723541 /nfs/dbraw/zinc/72/35/41/1282723541.db2.gz MCSVGUWVROWTPU-UHFFFAOYSA-N -2 0 346.087 2.181 20 0 EEADRL CCOC(=O)CS(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1[O-] ZINC001195973844 1283825071 /nfs/dbraw/zinc/82/50/71/1283825071.db2.gz ZRJLROKBTICMQT-UHFFFAOYSA-N -2 0 328.173 2.004 20 0 EEADRL COc1c([N-]S(=O)(=O)c2ccccc2C(=O)[O-])ccc(F)c1F ZINC001198790488 1285337007 /nfs/dbraw/zinc/33/70/07/1285337007.db2.gz WAEZHKMLQBAMFX-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL O=C(Oc1cccc(C2CCCCC2)c1)[C@H](O)COP(=O)([O-])[O-] ZINC001230812602 1303476924 /nfs/dbraw/zinc/47/69/24/1303476924.db2.gz VNQGXFLZUJZTMN-CQSZACIVSA-N -2 0 344.300 2.110 20 0 EEADRL CC(=O)[N-]S(=O)(=O)c1ccc(-c2cc(Cl)c([O-])cc2F)nc1 ZINC001245670701 1310155459 /nfs/dbraw/zinc/15/54/59/1310155459.db2.gz WQKRGNONJSCYFH-UHFFFAOYSA-N -2 0 344.751 2.072 20 0 EEADRL Cn1cnc(S(=O)(=O)[N-]c2ccc3[n-]c(=S)sc3c2)c1 ZINC001258999045 1319407331 /nfs/dbraw/zinc/40/73/31/1319407331.db2.gz UCWQCMAYBPECFP-UHFFFAOYSA-N -2 0 326.428 2.119 20 0 EEADRL Cc1ccsc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[O-])cc1 ZINC001260068142 1319788251 /nfs/dbraw/zinc/78/82/51/1319788251.db2.gz XNQIBJJNNZRMRS-UHFFFAOYSA-N -2 0 333.412 2.104 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc3nsnc32)c1 ZINC001260182673 1319816917 /nfs/dbraw/zinc/81/69/17/1319816917.db2.gz MGPCUQSNHQLCQD-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nc3ccc(F)cc3o2)cc1 ZINC001260220657 1319835390 /nfs/dbraw/zinc/83/53/90/1319835390.db2.gz FWNSFQCFCVFIFJ-UHFFFAOYSA-N -2 0 336.300 2.466 20 0 EEADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(n1)CCC2 ZINC001607143088 1351437543 /nfs/dbraw/zinc/43/75/43/1351437543.db2.gz TUYYZLZTEFJTCD-UHFFFAOYSA-N -2 0 348.380 2.078 20 0 EEADRL O=C([O-])C=Cc1ccc(S(=O)(=O)[N-]c2n[nH]c3ccccc32)cc1 ZINC001608663266 1351737102 /nfs/dbraw/zinc/73/71/02/1351737102.db2.gz VFPNHNFAXBVLIN-YFHOEESVSA-N -2 0 343.364 2.462 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2noc(C3CC3)n2)ccc1Cl ZINC001608863178 1351780714 /nfs/dbraw/zinc/78/07/14/1351780714.db2.gz QSFUXXMVUZWTHM-UHFFFAOYSA-N -2 0 343.748 2.099 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnn2CC2CCC2)cs1 ZINC001608862379 1351780930 /nfs/dbraw/zinc/78/09/30/1351780930.db2.gz BEBHCJBFJIIWNL-UHFFFAOYSA-N -2 0 341.414 2.244 20 0 EEADRL O=C([O-])c1ccc(F)c(NC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)c1 ZINC001608895530 1351789238 /nfs/dbraw/zinc/78/92/38/1351789238.db2.gz HUVLYMNXXUNWNY-UHFFFAOYSA-N -2 0 343.270 2.120 20 0 EEADRL C[C@H](C(=O)[O-])c1cccc(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1 ZINC001609645635 1352049045 /nfs/dbraw/zinc/04/90/45/1352049045.db2.gz YJHPZHVGJOAGCH-QMMMGPOBSA-N -2 0 346.305 2.270 20 0 EEADRL CC(C)c1ccc(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)nc1 ZINC001609719232 1352067621 /nfs/dbraw/zinc/06/76/21/1352067621.db2.gz FAHZQEWIECXVCV-UHFFFAOYSA-N -2 0 348.380 2.022 20 0 EEADRL CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001609968523 1352132668 /nfs/dbraw/zinc/13/26/68/1352132668.db2.gz CEVGBLDTAQZSHZ-UHFFFAOYSA-N -2 0 341.389 2.474 20 0 EEADRL CCCc1c(C(=O)Nc2n[nH]c(C(F)(F)F)n2)[nH]c(C)c1C(=O)[O-] ZINC001609985051 1352134458 /nfs/dbraw/zinc/13/44/58/1352134458.db2.gz ZZPGJAIVADOUSA-UHFFFAOYSA-N -2 0 345.281 2.363 20 0 EEADRL Cc1cc(C)cc(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC001610453382 1352224535 /nfs/dbraw/zinc/22/45/35/1352224535.db2.gz OIZZDHOBLHRDLO-UHFFFAOYSA-N -2 0 339.394 2.182 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2cnc(CC3CC3)nc2)c1C(=O)[O-] ZINC001610526611 1352239005 /nfs/dbraw/zinc/23/90/05/1352239005.db2.gz LSORNUAGDJTEDV-UHFFFAOYSA-N -2 0 347.396 2.237 20 0 EEADRL Cc1n[nH]c(C(=O)N[C@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])c1[O-] ZINC001610548274 1352243162 /nfs/dbraw/zinc/24/31/62/1352243162.db2.gz OQURFPVAQOZROR-GXTWGEPZSA-N -2 0 343.383 2.117 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2OC(F)F)cn1 ZINC001610836144 1352282939 /nfs/dbraw/zinc/28/29/39/1352282939.db2.gz AWUVQZYUMJZUHD-UHFFFAOYSA-N -2 0 344.295 2.182 20 0 EEADRL Cc1cc(C(=O)[O-])oc1C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001600130462 1349976362 /nfs/dbraw/zinc/97/63/62/1349976362.db2.gz CRNHOXUGPNYFSN-LBPRGKRZSA-N -2 0 329.308 2.110 20 0 EEADRL Cc1cc(C(=O)[O-])oc1C(=O)[N-]n1cnc2sc(C)c(C)c2c1=O ZINC001600132203 1349976640 /nfs/dbraw/zinc/97/66/40/1349976640.db2.gz NPJDPBABULWDAX-UHFFFAOYSA-N -2 0 347.352 2.058 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cc(C)cc(O)c2)c1C(=O)[O-] ZINC001600284706 1350011158 /nfs/dbraw/zinc/01/11/58/1350011158.db2.gz UKSMIOXSOZEMCF-UHFFFAOYSA-N -2 0 325.342 2.409 20 0 EEADRL Cc1ccc([C@@H](CNC(=O)[C@@H](C(=O)[O-])C2CCCC2)C(=O)[O-])cc1 ZINC001600375733 1350033771 /nfs/dbraw/zinc/03/37/71/1350033771.db2.gz RPEYGQUCPGOBSF-CABCVRRESA-N -2 0 333.384 2.170 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])c(O)c1 ZINC001600463514 1350057674 /nfs/dbraw/zinc/05/76/74/1350057674.db2.gz KTVVCMOXOSMORN-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL Cc1csc(C)c1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])n1 ZINC001600656626 1350110065 /nfs/dbraw/zinc/11/00/65/1350110065.db2.gz LXWFYYFDDUGBCC-UHFFFAOYSA-N -2 0 326.399 2.188 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1ccc(F)c(Cl)c1 ZINC001601793258 1350365225 /nfs/dbraw/zinc/36/52/25/1350365225.db2.gz YWAYUYYHKDEXQZ-WRWORJQWSA-N -2 0 344.726 2.261 20 0 EEADRL O=C([O-])[C@H]1CN(C(=O)c2cccc(F)c2[O-])c2ccc(F)cc2O1 ZINC001601847237 1350379999 /nfs/dbraw/zinc/37/99/99/1350379999.db2.gz XLMWSNHEQGYYIV-CYBMUJFWSA-N -2 0 335.262 2.163 20 0 EEADRL O=C([O-])CCc1ccc(-c2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1 ZINC001602038511 1350423543 /nfs/dbraw/zinc/42/35/43/1350423543.db2.gz MUAJEXNSMKSCSN-UHFFFAOYSA-N -3 0 338.319 2.306 20 0 EEADRL O=C([O-])c1cnc(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)[n-]1 ZINC001602235289 1350472763 /nfs/dbraw/zinc/47/27/63/1350472763.db2.gz XBDDJXITPMQEDQ-UHFFFAOYSA-N -2 0 335.168 2.389 20 0 EEADRL O=C([O-])c1cccc(NS(=O)(=O)c2ccc(F)cc2C(=O)[O-])c1 ZINC001602447059 1350521475 /nfs/dbraw/zinc/52/14/75/1350521475.db2.gz LDSDGQXERKFKLJ-UHFFFAOYSA-N -2 0 339.300 2.023 20 0 EEADRL CC(C)(CCNC(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1)C(=O)[O-] ZINC001603607642 1350727379 /nfs/dbraw/zinc/72/73/79/1350727379.db2.gz PXVSSNQBTNZKIA-UHFFFAOYSA-N -2 0 343.405 2.128 20 0 EEADRL CC(C)c1sc(NC(=O)c2ccc3oc(=O)nc-3[n-]2)nc1C(=O)[O-] ZINC001604031165 1350834639 /nfs/dbraw/zinc/83/46/39/1350834639.db2.gz GNMDDWAPHOQLLJ-UHFFFAOYSA-N -2 0 348.340 2.459 20 0 EEADRL Cc1ncc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)s1 ZINC001607984263 1351598024 /nfs/dbraw/zinc/59/80/24/1351598024.db2.gz YIEKDVDOOIHBHA-UHFFFAOYSA-N -2 0 342.398 2.106 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)cc1C(=O)[O-] ZINC001608056696 1351615828 /nfs/dbraw/zinc/61/58/28/1351615828.db2.gz DLEWUADDXWPGMT-UHFFFAOYSA-N -2 0 347.352 2.273 20 0 EEADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccnc(F)c2)c1 ZINC001187547932 1368250200 /nfs/dbraw/zinc/25/02/00/1368250200.db2.gz GJCPQOZWLWHQQH-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cccc2nsnc21 ZINC001198730591 1368641204 /nfs/dbraw/zinc/64/12/04/1368641204.db2.gz QDAZFSWGNFKLEX-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL N#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1C#N ZINC000325859886 1409870731 /nfs/dbraw/zinc/87/07/31/1409870731.db2.gz DLDNRAIYZKIRBJ-UHFFFAOYSA-N -2 0 345.311 2.068 20 0 EEADRL CCC[C@@H](CC)S(=O)(=O)Nc1cc(C(=O)[O-])ccc1C(=O)[O-] ZINC001771825497 1409959828 /nfs/dbraw/zinc/95/98/28/1409959828.db2.gz ADYMQFYEYJJQTD-SNVBAGLBSA-N -2 0 329.374 2.403 20 0 EEADRL CC(C)Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])s1 ZINC000907732229 784833275 /nfs/dbraw/zinc/83/32/75/784833275.db2.gz UFKXEVARYPGXMX-CMPLNLGQSA-N -2 0 339.413 2.337 20 0 EEADRL CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000909852994 786284274 /nfs/dbraw/zinc/28/42/74/786284274.db2.gz CGBFZZRFUJXYJN-ZDUSSCGKSA-N -2 0 349.362 2.288 20 0 EEADRL Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c(C)cc1Cl ZINC000910184374 786516975 /nfs/dbraw/zinc/51/69/75/786516975.db2.gz QAXFECOOQUAYEU-GXFFZTMASA-N -2 0 339.775 2.347 20 0 EEADRL Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c(Cl)c1 ZINC000910186019 786517523 /nfs/dbraw/zinc/51/75/23/786517523.db2.gz MDLHJNFOMIDOQO-CABZTGNLSA-N -2 0 325.748 2.038 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCc2ccccc2Cl)C1 ZINC000910185719 786517890 /nfs/dbraw/zinc/51/78/90/786517890.db2.gz KIDYILXNTREAPY-YPMHNXCESA-N -2 0 339.775 2.049 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)CCc2ccc(Cl)cc2)C1 ZINC000910189873 786522055 /nfs/dbraw/zinc/52/20/55/786522055.db2.gz VPDFRCAWZQHBCZ-DGCLKSJQSA-N -2 0 339.775 2.049 20 0 EEADRL CCCN(C(=O)c1nn(-c2ccc(F)cc2C)cc1[O-])[C@H](C)C(=O)[O-] ZINC000911707815 787668324 /nfs/dbraw/zinc/66/83/24/787668324.db2.gz MTARKLLNQPZINH-LLVKDONJSA-N -2 0 349.362 2.351 20 0 EEADRL N=c1c(Cl)cc(Cl)c(N)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176237899 798390528 /nfs/dbraw/zinc/39/05/28/798390528.db2.gz HHRHVXIBUUDARX-UHFFFAOYSA-N -2 0 342.138 2.242 20 0 EEADRL O=C(NCCOP(=O)([O-])[O-])C1(CC2CC2)CCC(F)(F)CC1 ZINC001184669590 802104345 /nfs/dbraw/zinc/10/43/45/802104345.db2.gz OOLLDLFMRBMEMV-UHFFFAOYSA-N -2 0 341.291 2.208 20 0 EEADRL CCc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)n1 ZINC001185275677 802433790 /nfs/dbraw/zinc/43/37/90/802433790.db2.gz PGBURSBYYFVHCP-UHFFFAOYSA-N -2 0 336.369 2.152 20 0 EEADRL O=P([O-])([O-])OCCNC(F)(F)c1ccnc(Cl)c1Cl ZINC001157787503 810349100 /nfs/dbraw/zinc/34/91/00/810349100.db2.gz KUWTXPZAUGATEH-UHFFFAOYSA-N -2 0 337.046 2.137 20 0 EEADRL O=C([O-])C[C@H](NCc1oc2ccccc2c1Br)C(=O)[O-] ZINC001595129008 952025738 /nfs/dbraw/zinc/02/57/38/952025738.db2.gz QRROTOHBTIQILI-QMMMGPOBSA-N -2 0 342.145 2.213 20 0 EEADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000863964266 969312159 /nfs/dbraw/zinc/31/21/59/969312159.db2.gz GWUPTMXTHCBSMT-UHFFFAOYSA-N -2 0 339.369 2.129 20 0 EEADRL CCCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])n2)cc1 ZINC000320400799 970659515 /nfs/dbraw/zinc/65/95/15/970659515.db2.gz GABHUJRGDYUDBS-UHFFFAOYSA-N -2 0 336.369 2.369 20 0 EEADRL Cc1cc(S(=O)(=O)Nc2ccccc2CC(=O)[O-])ccc1C(=O)[O-] ZINC001605225378 972979032 /nfs/dbraw/zinc/97/90/32/972979032.db2.gz UWBPAEQFTXQAOB-UHFFFAOYSA-N -2 0 349.364 2.121 20 0 EEADRL C[C@](CC(=O)[O-])(NC(=O)c1cc(F)c([O-])c(F)c1)c1ccncc1 ZINC001592302497 977651357 /nfs/dbraw/zinc/65/13/57/977651357.db2.gz ANQGLKFOQLWZCE-MRXNPFEDSA-N -2 0 336.294 2.185 20 0 EEADRL CC[C@@H](CC(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)C(C)C ZINC001595037250 979205224 /nfs/dbraw/zinc/20/52/24/979205224.db2.gz VXEMKTUHLYMIPP-JTQLQIEISA-N -2 0 331.390 2.163 20 0 EEADRL CC[C@@H](CS(=O)(=O)[N-]c1ncc(C(=O)[O-])c2ccccc21)OC ZINC001595203952 979970274 /nfs/dbraw/zinc/97/02/74/979970274.db2.gz YHGDYAZSSUJLOP-JTQLQIEISA-N -2 0 338.385 2.100 20 0 EEADRL CCCN(CC(=O)[O-])C(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC001595853106 982780686 /nfs/dbraw/zinc/78/06/86/982780686.db2.gz BYRVTZBARABOCP-JTQLQIEISA-N -2 0 325.386 2.189 20 0 EEADRL CCCc1nnc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)o1 ZINC001596094980 983416737 /nfs/dbraw/zinc/41/67/37/983416737.db2.gz CPVCJRSAWXHNGS-UHFFFAOYSA-N -2 0 345.764 2.175 20 0 EEADRL C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)CC[C@H]1C(=O)[O-] ZINC001594478992 985509830 /nfs/dbraw/zinc/50/98/30/985509830.db2.gz FJOZFAYGWIFVII-ZYHUDNBSSA-N -2 0 349.387 2.025 20 0 EEADRL Cc1[nH]c(C(=O)[O-])cc1C([O-])=CS(=O)(=O)CC(C)(C)C(C)C ZINC001599961128 985782945 /nfs/dbraw/zinc/78/29/45/985782945.db2.gz PUNKRJZQSNUROO-UHFFFAOYSA-N -2 0 329.418 2.301 20 0 EEADRL CC(C)C[C@H](CNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)C(=O)[O-] ZINC001591149139 991887268 /nfs/dbraw/zinc/88/72/68/991887268.db2.gz BDBJAJODZNTRNL-CYBMUJFWSA-N -2 0 334.372 2.157 20 0 EEADRL CN(Cc1c([O-])nnn1-c1ccccc1)Cc1ccc(C(=O)[O-])cc1 ZINC001598513004 992582866 /nfs/dbraw/zinc/58/28/66/992582866.db2.gz HKRWJBJTTAWZGT-UHFFFAOYSA-N -2 0 338.367 2.303 20 0 EEADRL COc1ccc(OC(C)C)c([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1 ZINC001599600730 993811325 /nfs/dbraw/zinc/81/13/25/993811325.db2.gz MJUXUQSFYWIRHV-UHFFFAOYSA-N -2 0 345.417 2.335 20 0 EEADRL COc1cc(C(=O)[O-])ccc1NC(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC001599372341 998430725 /nfs/dbraw/zinc/43/07/25/998430725.db2.gz FYRFRSPQFUFJJI-LLVKDONJSA-N -2 0 336.344 2.016 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)cc1C(=O)[O-] ZINC000336866103 539806307 /nfs/dbraw/zinc/80/63/07/539806307.db2.gz HKSOTFDRVIZXQE-UHFFFAOYSA-N -2 0 348.302 2.424 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cnc(CC(C)C)nc1 ZINC000355892573 153189473 /nfs/dbraw/zinc/18/94/73/153189473.db2.gz WDJIBEVSMGKJPJ-UHFFFAOYSA-N -2 0 349.412 2.483 20 0 EEADRL CCc1ncc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)s1 ZINC000359108580 164061232 /nfs/dbraw/zinc/06/12/32/164061232.db2.gz TUYAAHQQFMIYIJ-UHFFFAOYSA-N -2 0 326.399 2.133 20 0 EEADRL Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c(F)c1 ZINC000360513578 164326366 /nfs/dbraw/zinc/32/63/66/164326366.db2.gz XGZSVOXLHBSEHN-UHFFFAOYSA-N -3 0 325.317 2.339 20 0 EEADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)Nc2ccc(F)cc2F)c1 ZINC000436896581 315010174 /nfs/dbraw/zinc/01/01/74/315010174.db2.gz ZKGGRSUEFLKPCQ-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c(F)c1 ZINC000336867535 465060063 /nfs/dbraw/zinc/06/00/63/465060063.db2.gz NDJFWLZPCBCSOW-UHFFFAOYSA-N -2 0 337.328 2.260 20 0 EEADRL CCc1ccc([N-]S(=O)(=O)c2cncc(OC)c2)c(C(=O)[O-])c1 ZINC000337167680 465224548 /nfs/dbraw/zinc/22/45/48/465224548.db2.gz COGDEDYWMBULSJ-UHFFFAOYSA-N -2 0 336.369 2.152 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2c(C)noc2C)cc1C(=O)[O-] ZINC000068076414 463088453 /nfs/dbraw/zinc/08/84/53/463088453.db2.gz LIGZFUUMJPBICT-UHFFFAOYSA-N -2 0 340.357 2.189 20 0 EEADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)c1 ZINC000078975983 463174381 /nfs/dbraw/zinc/17/43/81/463174381.db2.gz DBZMRMUWKXWFLI-UHFFFAOYSA-N -2 0 349.393 2.433 20 0 EEADRL C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cn1 ZINC000187734088 464155595 /nfs/dbraw/zinc/15/55/95/464155595.db2.gz MZTLZHKMBSOVIS-JTQLQIEISA-N -2 0 335.385 2.353 20 0 EEADRL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000348452199 465613695 /nfs/dbraw/zinc/61/36/95/465613695.db2.gz UHJCZPFHUYGFBW-UHFFFAOYSA-N -2 0 347.295 2.374 20 0 EEADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)c1 ZINC000348884253 465855941 /nfs/dbraw/zinc/85/59/41/465855941.db2.gz OOIRBUUGQRLCNV-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000357328909 465952589 /nfs/dbraw/zinc/95/25/89/465952589.db2.gz KGTQQAZHDMBJMC-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(S[C@H](C)C(=O)[O-])cc1 ZINC000349107722 465972888 /nfs/dbraw/zinc/97/28/88/465972888.db2.gz MAYXKQJASHAHFC-SECBINFHSA-N -2 0 341.414 2.084 20 0 EEADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC000315893411 466566130 /nfs/dbraw/zinc/56/61/30/466566130.db2.gz NAIHGLLWLSDCGM-UHFFFAOYSA-N -2 0 325.342 2.486 20 0 EEADRL O=C([O-])Cc1cccc(NS(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000322328382 466631197 /nfs/dbraw/zinc/63/11/97/466631197.db2.gz LXZMUGOPNVJKTG-UHFFFAOYSA-N -2 0 333.365 2.049 20 0 EEADRL COc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(OC)c1 ZINC000323202898 466637113 /nfs/dbraw/zinc/63/71/13/466637113.db2.gz LDBUWXMYLMETGZ-UHFFFAOYSA-N -2 0 337.353 2.203 20 0 EEADRL CCc1ccc([N-]S(=O)(=O)c2cn(CC)c(C)n2)c(C(=O)[O-])c1 ZINC000323429624 466638228 /nfs/dbraw/zinc/63/82/28/466638228.db2.gz WDGFRFAQJOZUII-UHFFFAOYSA-N -2 0 337.401 2.273 20 0 EEADRL COC(C)(C)CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C ZINC000436475662 467538964 /nfs/dbraw/zinc/53/89/64/467538964.db2.gz HNDQJIFXQAKEGM-UHFFFAOYSA-N -2 0 345.417 2.339 20 0 EEADRL C[C@H]([C@H](NS(=O)(=O)c1c(F)cccc1Cl)C(=O)[O-])C1CC1 ZINC000548990800 468164611 /nfs/dbraw/zinc/16/46/11/468164611.db2.gz USXXDVIGZJHPNZ-CPCISQLKSA-N -2 0 335.784 2.257 20 0 EEADRL C[C@@H]([C@@H](NS(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-])C1CC1 ZINC000548995497 468164844 /nfs/dbraw/zinc/16/48/44/468164844.db2.gz RPPZVSWENINSQR-JMCQJSRRSA-N -2 0 335.784 2.257 20 0 EEADRL CCn1nccc1-c1cccc(-n2[n-]c(C)c(CC(=O)[O-])c2=O)c1 ZINC000571226436 468757963 /nfs/dbraw/zinc/75/79/63/468757963.db2.gz PQJDRVMCFTYYAJ-CQSZACIVSA-N -2 0 326.356 2.383 20 0 EEADRL CCc1nc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cn1CC1CC1 ZINC000663252076 472422641 /nfs/dbraw/zinc/42/26/41/472422641.db2.gz YKYREEMCUPQFHK-UHFFFAOYSA-N -2 0 349.412 2.355 20 0 EEADRL Cc1ccc(-n2[n-]c(C(=O)Nc3ccc(C(=O)[O-])cc3)cc2=O)cc1 ZINC000738495269 578017209 /nfs/dbraw/zinc/01/72/09/578017209.db2.gz RHOTUDVGJBTFGA-UHFFFAOYSA-N -2 0 337.335 2.425 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)NCc2cc3c(s2)CCCC3)o1 ZINC000740176834 576387366 /nfs/dbraw/zinc/38/73/66/576387366.db2.gz SQUXGWWDBQSBLS-UHFFFAOYSA-N -2 0 341.410 2.397 20 0 EEADRL COc1cc(F)c(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c(F)c1 ZINC000737888610 577205073 /nfs/dbraw/zinc/20/50/73/577205073.db2.gz GKIFXZUFZJDZQU-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000776504377 577461130 /nfs/dbraw/zinc/46/11/30/577461130.db2.gz TVBKGWHJEUFIHR-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC000754760238 577812280 /nfs/dbraw/zinc/81/22/80/577812280.db2.gz XVPCFDLEBBDRAZ-UHFFFAOYSA-N -2 0 347.755 2.020 20 0 EEADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)cn1 ZINC000740136166 578082369 /nfs/dbraw/zinc/08/23/69/578082369.db2.gz QSARBIAZKNQGBR-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)c2coc3ccccc23)c1 ZINC000740235500 578086780 /nfs/dbraw/zinc/08/67/80/578086780.db2.gz CDGBJFUDGUOBJV-UHFFFAOYSA-N -2 0 345.332 2.250 20 0 EEADRL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cccc(C(=O)[O-])c1 ZINC000736722136 578220258 /nfs/dbraw/zinc/22/02/58/578220258.db2.gz AIHLHKLOAOFUMF-LLVKDONJSA-N -2 0 333.365 2.206 20 0 EEADRL CCCOc1cccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])c1 ZINC000737034883 578234323 /nfs/dbraw/zinc/23/43/23/578234323.db2.gz UJWSBSWOYNAVAX-UHFFFAOYSA-N -2 0 339.373 2.006 20 0 EEADRL CCCn1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000737050761 578235294 /nfs/dbraw/zinc/23/52/94/578235294.db2.gz NEQDVCWHIZLARV-UHFFFAOYSA-N -2 0 343.792 2.446 20 0 EEADRL O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000314877283 597313951 /nfs/dbraw/zinc/31/39/51/597313951.db2.gz ALANVZMUNGQPII-UHFFFAOYSA-N -2 0 327.308 2.393 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)nc1 ZINC000390357721 600101623 /nfs/dbraw/zinc/10/16/23/600101623.db2.gz LEKYTMVRGJGCRC-UHFFFAOYSA-N -2 0 336.369 2.044 20 0 EEADRL Cc1cccc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)n1 ZINC000319677434 600178906 /nfs/dbraw/zinc/17/89/06/600178906.db2.gz IXIARGCZTRBRTB-UHFFFAOYSA-N -2 0 336.369 2.044 20 0 EEADRL C[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000828233506 600937866 /nfs/dbraw/zinc/93/78/66/600937866.db2.gz QCDRQQZZWWEGDN-BDAKNGLRSA-N -2 0 331.415 2.078 20 0 EEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2n[nH]cc2c1 ZINC000032591501 601321568 /nfs/dbraw/zinc/32/15/68/601321568.db2.gz ZTHNHMRPFLSZNN-UHFFFAOYSA-N -2 0 347.352 2.071 20 0 EEADRL CCc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)s1 ZINC000318158610 601501874 /nfs/dbraw/zinc/50/18/74/601501874.db2.gz XSBWQFYUAMNADX-UHFFFAOYSA-N -2 0 341.414 2.216 20 0 EEADRL CCCCC[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)C(=O)[O-] ZINC000829332882 601760661 /nfs/dbraw/zinc/76/06/61/601760661.db2.gz DHXPINRYGIVVEZ-NSHDSACASA-N -2 0 349.412 2.387 20 0 EEADRL Cn1cc(NC(=O)c2cc(Br)ccc2O)cc1C(=O)[O-] ZINC000833048679 601761065 /nfs/dbraw/zinc/76/10/65/601761065.db2.gz BYDXWBAWLXTTDF-UHFFFAOYSA-N -2 0 339.145 2.444 20 0 EEADRL CCc1nnc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)s1 ZINC000232264115 601843474 /nfs/dbraw/zinc/84/34/74/601843474.db2.gz SNVRMFRTFGXLFM-UHFFFAOYSA-N -2 0 347.805 2.253 20 0 EEADRL CCCCc1cc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])n[nH]1 ZINC000829431119 602103182 /nfs/dbraw/zinc/10/31/82/602103182.db2.gz VAUXXPPVAGYDAG-UHFFFAOYSA-N -2 0 341.389 2.461 20 0 EEADRL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1csnc1C(=O)[O-] ZINC000832005006 602155519 /nfs/dbraw/zinc/15/55/19/602155519.db2.gz ZDGBHVWYYHPVHW-UHFFFAOYSA-N -2 0 348.789 2.304 20 0 EEADRL O=C([O-])c1nscc1[N-]S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000833346324 602156002 /nfs/dbraw/zinc/15/60/02/602156002.db2.gz IAVVARLYYZXKRZ-WAYWQWQTSA-N -2 0 328.346 2.393 20 0 EEADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cc(C2CCCC2)[nH]n1 ZINC000833345147 602309350 /nfs/dbraw/zinc/30/93/50/602309350.db2.gz MKSXYZPVFXWVSH-UHFFFAOYSA-N -2 0 342.402 2.023 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)[O-])cs2)cc1F ZINC000832956727 604623295 /nfs/dbraw/zinc/62/32/95/604623295.db2.gz YDEVKYOWVQWSJZ-UHFFFAOYSA-N -2 0 344.389 2.409 20 0 EEADRL Cc1cccc2sc([N-]S(=O)(=O)c3ccc(C(=O)[O-])nc3)nc21 ZINC000833753111 604699778 /nfs/dbraw/zinc/69/97/78/604699778.db2.gz KTKDPAIWHLGBNJ-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL O=C([O-])c1csc(NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)c1 ZINC000833342741 604707100 /nfs/dbraw/zinc/70/71/00/604707100.db2.gz NZCKKVLLAATMDX-UHFFFAOYSA-N -2 0 331.309 2.042 20 0 EEADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833726455 605186358 /nfs/dbraw/zinc/18/63/58/605186358.db2.gz AMWUSNCGTBFDMC-UHFFFAOYSA-N -2 0 331.733 2.441 20 0 EEADRL Cc1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1CO ZINC001186191661 1278983895 /nfs/dbraw/zinc/98/38/95/1278983895.db2.gz ZICQZNOTMNGYMT-UHFFFAOYSA-N -2 0 339.344 2.125 20 0 EEADRL Cc1cc(F)ncc1NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189860763 1280523219 /nfs/dbraw/zinc/52/32/19/1280523219.db2.gz MYWWVLAPYJEVBN-UHFFFAOYSA-N -2 0 326.220 2.253 20 0 EEADRL Cn1cnc2ccc(NC(=O)c3ccccc3OP(=O)([O-])[O-])cc21 ZINC001189888572 1280564967 /nfs/dbraw/zinc/56/49/67/1280564967.db2.gz GMUVYXPOLJSJKN-UHFFFAOYSA-N -2 0 347.267 2.297 20 0 EEADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cc(F)nc(F)c2)cc1 ZINC001192110227 1281802151 /nfs/dbraw/zinc/80/21/51/1281802151.db2.gz UFTMNXZHCKSLCD-UHFFFAOYSA-N -2 0 342.323 2.178 20 0 EEADRL CC(=O)[N-]S(=O)(=O)c1ccc(Nc2cccc(C(=O)[O-])c2C)cc1 ZINC001216660369 1297246787 /nfs/dbraw/zinc/24/67/87/1297246787.db2.gz KDLKNFXKDKJLOS-UHFFFAOYSA-N -2 0 348.380 2.262 20 0 EEADRL CC(C)(C)OC(=O)N1CC=C[C@@H](OCCCC[P@@](=O)([O-])O)C1 ZINC001225018650 1300832901 /nfs/dbraw/zinc/83/29/01/1300832901.db2.gz DOVXYXBXXBFGNR-GFCCVEGCSA-N -2 0 335.337 2.136 20 0 EEADRL CN(C)C(=O)Cc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001242160675 1309622819 /nfs/dbraw/zinc/62/28/19/1309622819.db2.gz HWCGZASKTYYKSI-UHFFFAOYSA-N -2 0 327.336 2.381 20 0 EEADRL O=C([O-])c1ccc(-n2[n-]c(-c3ccc4c(c3)OCO4)cc2=O)nc1 ZINC001245929512 1310189428 /nfs/dbraw/zinc/18/94/28/1310189428.db2.gz DGRAEKFGNPZVDJ-UHFFFAOYSA-N -2 0 325.280 2.067 20 0 EEADRL Cc1nc2sc3c(c2c(NCCOP(=O)([O-])[O-])n1)CCC3 ZINC001157795823 1318868284 /nfs/dbraw/zinc/86/82/84/1318868284.db2.gz MQQDIUTWJBUCTA-UHFFFAOYSA-N -2 0 329.318 2.010 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cccc3nccnc23)c1 ZINC001260215558 1319833639 /nfs/dbraw/zinc/83/36/39/1319833639.db2.gz HZURRIITXKXVKH-UHFFFAOYSA-N -2 0 347.327 2.268 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)C(F)=C2CCC2)cc1Cl ZINC001608485151 1351702896 /nfs/dbraw/zinc/70/28/96/1351702896.db2.gz ZBFSWROHDDXPEK-UHFFFAOYSA-N -2 0 347.751 2.251 20 0 EEADRL O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1cc(F)cc(F)c1[O-] ZINC001297651849 1329992420 /nfs/dbraw/zinc/99/24/20/1329992420.db2.gz GYJDGTFFDPLVCM-UHFFFAOYSA-N -2 0 332.266 2.413 20 0 EEADRL CCCCc1nnc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])o1 ZINC001605292494 1351126708 /nfs/dbraw/zinc/12/67/08/1351126708.db2.gz CIULRBFWRRSTNB-UHFFFAOYSA-N -2 0 343.336 2.050 20 0 EEADRL O=C([O-])[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)CCC2CCCCC2)C1 ZINC001608622393 1351727826 /nfs/dbraw/zinc/72/78/26/1351727826.db2.gz WLEZGLLOGKIFMK-UONOGXRCSA-N -2 0 345.461 2.294 20 0 EEADRL O=C([O-])[C@@H]1CCN(C(=O)c2cc3c(cc2O)OCO3)[C@@H]2CCCC[C@H]12 ZINC001608633144 1351730031 /nfs/dbraw/zinc/73/00/31/1351730031.db2.gz RHWRHJMOPZALSM-NQBHXWOUSA-N -2 0 347.367 2.226 20 0 EEADRL O=C([O-])c1cc(Cl)cc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c1 ZINC001608845676 1351777715 /nfs/dbraw/zinc/77/77/15/1351777715.db2.gz MSDRKMJHXIUNBG-BCWBERDBSA-N -2 0 335.743 2.500 20 0 EEADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1nc2ccccc2[nH]1 ZINC001608897338 1351789654 /nfs/dbraw/zinc/78/96/54/1351789654.db2.gz RTOBSCGMHCQDCF-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL O=C([O-])c1n[nH]c2ccc(NC(=O)[C@H](C(=O)[O-])C3CCCC3)cc21 ZINC001608994023 1351810135 /nfs/dbraw/zinc/81/01/35/1351810135.db2.gz IHSJGCYWDWYXGA-GFCCVEGCSA-N -2 0 331.328 2.091 20 0 EEADRL CCc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c2ccccc2n1 ZINC001610059274 1352151962 /nfs/dbraw/zinc/15/19/62/1352151962.db2.gz OLSSKAMQQHGFDI-UHFFFAOYSA-N -2 0 346.364 2.311 20 0 EEADRL CCn1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])cn1 ZINC001610082683 1352158360 /nfs/dbraw/zinc/15/83/60/1352158360.db2.gz INZOSNBMBDUSCF-UHFFFAOYSA-N -2 0 329.765 2.055 20 0 EEADRL Cc1c(NC(=O)CCC(=O)[O-])cc(Br)cc1C(=O)[O-] ZINC001610420092 1352219830 /nfs/dbraw/zinc/21/98/30/1352219830.db2.gz RWEBMKAHQUNQHG-UHFFFAOYSA-N -2 0 330.134 2.259 20 0 EEADRL CC(C)(C)[C@H](NC(=O)c1ccc(Cl)c([O-])c1)c1nc(=O)o[n-]1 ZINC001434121633 1341769215 /nfs/dbraw/zinc/76/92/15/1341769215.db2.gz XTJZQILQJNHCLO-SNVBAGLBSA-N -2 0 325.752 2.239 20 0 EEADRL Cc1c(C(=O)[O-])cc(CNC(=O)c2ccc3oc(=S)[n-]c3c2)n1C ZINC001599993329 1349950885 /nfs/dbraw/zinc/95/08/85/1349950885.db2.gz VHCATBYLKPTNIZ-UHFFFAOYSA-N -2 0 345.380 2.392 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1noc2c1CCCC2 ZINC001599999737 1349952834 /nfs/dbraw/zinc/95/28/34/1349952834.db2.gz CIXMOLUFXLWHQP-UHFFFAOYSA-N -2 0 336.369 2.361 20 0 EEADRL Cc1cc(C)c(C(=O)N2C[C@@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)s1 ZINC001600150262 1349980742 /nfs/dbraw/zinc/98/07/42/1349980742.db2.gz CGZWQRNFTZELMS-CSJGVYOVSA-N -2 0 337.397 2.003 20 0 EEADRL Cc1cc(C)c(C(=O)N2C[C@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)c(C)c1 ZINC001600151266 1349980825 /nfs/dbraw/zinc/98/08/25/1349980825.db2.gz MPYFYBJLDWWEQB-SHYRYGCCSA-N -2 0 345.395 2.249 20 0 EEADRL Cc1cc(C)nc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)n1 ZINC001600183086 1349987732 /nfs/dbraw/zinc/98/77/32/1349987732.db2.gz SBBYUHAJPPTUPN-UHFFFAOYSA-N -2 0 339.348 2.040 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)cnn1CC(=O)[O-] ZINC001600301547 1350015351 /nfs/dbraw/zinc/01/53/51/1350015351.db2.gz OSSHXUBYSQLBBL-UHFFFAOYSA-N -2 0 343.792 2.039 20 0 EEADRL Cc1ccc(NS(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c(C(=O)[O-])c1 ZINC001600463713 1350057778 /nfs/dbraw/zinc/05/77/78/1350057778.db2.gz IQQXAERUASJQST-MFKMUULPSA-N -2 0 341.385 2.078 20 0 EEADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c1F ZINC001602273115 1350483089 /nfs/dbraw/zinc/48/30/89/1350483089.db2.gz IAYMPXHJHDBCMU-SECBINFHSA-N -2 0 341.282 2.129 20 0 EEADRL O=C([O-])c1ccc(/C=C\C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)o1 ZINC001602331429 1350495925 /nfs/dbraw/zinc/49/59/25/1350495925.db2.gz CEWUIQZYNHUQFV-ACXRNVQBSA-N -2 0 347.367 2.483 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCC3(CC3)C2)c1 ZINC001602451902 1350522461 /nfs/dbraw/zinc/52/24/61/1350522461.db2.gz ROQIBZRGCYLQJN-GFCCVEGCSA-N -2 0 337.397 2.160 20 0 EEADRL O=C([O-])c1cnc(N2CCC(c3ccccc3C(=O)[O-])CC2)nc1 ZINC001602524951 1350538438 /nfs/dbraw/zinc/53/84/38/1350538438.db2.gz JQKUXOLXHUMSCB-UHFFFAOYSA-N -2 0 327.340 2.257 20 0 EEADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)C[C@@H]1CCCC(C)(C)C1 ZINC001603187727 1350659164 /nfs/dbraw/zinc/65/91/64/1350659164.db2.gz JLJBBQPOZPMWEB-TUAOUCFPSA-N -2 0 333.450 2.148 20 0 EEADRL CC(C)(C)c1cnc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)s1 ZINC001603549380 1350718707 /nfs/dbraw/zinc/71/87/07/1350718707.db2.gz NVZIEKYNNVOGOW-UHFFFAOYSA-N -2 0 329.403 2.268 20 0 EEADRL CC(C)CC(CC(C)C)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-] ZINC001603769197 1350762116 /nfs/dbraw/zinc/76/21/16/1350762116.db2.gz BPBNFFHWJQPMLI-RYUDHWBXSA-N -2 0 335.466 2.250 20 0 EEADRL CC(C)Oc1cccnc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC001603957014 1350813406 /nfs/dbraw/zinc/81/34/06/1350813406.db2.gz LYKGLOXFNSFQPF-UHFFFAOYSA-N -2 0 342.398 2.429 20 0 EEADRL CCCCn1ncc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)c1C ZINC001605296135 1351128416 /nfs/dbraw/zinc/12/84/16/1351128416.db2.gz ZOWOBTHTOHSDAX-UHFFFAOYSA-N -2 0 341.389 2.392 20 0 EEADRL CCc1[nH]nc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1C ZINC001605777180 1351222714 /nfs/dbraw/zinc/22/27/14/1351222714.db2.gz DTARTWQFSVMBMX-UHFFFAOYSA-N -2 0 345.327 2.058 20 0 EEADRL Cc1ccc(-c2nn[nH]n2)cc1NC(=O)[C@@H](CC(=O)[O-])CC(C)C ZINC001605794675 1351224629 /nfs/dbraw/zinc/22/46/29/1351224629.db2.gz GAWICEAPSRMFON-GFCCVEGCSA-N -2 0 331.376 2.251 20 0 EEADRL CCc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])n2)s1 ZINC001605823696 1351228842 /nfs/dbraw/zinc/22/88/42/1351228842.db2.gz OAPWLJXHWYSZEE-UHFFFAOYSA-N -2 0 326.399 2.133 20 0 EEADRL Cc1c(NC(=O)[C@H](C)S[C@H](C)C(=O)[O-])ccc(F)c1C(=O)[O-] ZINC001607538005 1351512404 /nfs/dbraw/zinc/51/24/04/1351512404.db2.gz FVYFXLZCPYSLAA-JGVFFNPUSA-N -2 0 329.349 2.366 20 0 EEADRL Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1ccc(C(=O)[O-])s1 ZINC001607718097 1351546112 /nfs/dbraw/zinc/54/61/12/1351546112.db2.gz WCCCSBPEDGIOIT-UHFFFAOYSA-N -2 0 344.352 2.498 20 0 EEADRL Cc1cccc(CS(=O)(=O)[N-]c2nc(CCC(=O)[O-])cs2)c1 ZINC001607853510 1351571910 /nfs/dbraw/zinc/57/19/10/1351571910.db2.gz HQIMDRMHJSUMDY-UHFFFAOYSA-N -2 0 340.426 2.411 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1nnc(C(C)(C)C)o1 ZINC001607927860 1351587395 /nfs/dbraw/zinc/58/73/95/1351587395.db2.gz PCWMUJPLKRGASU-UHFFFAOYSA-N -2 0 345.402 2.236 20 0 EEADRL Cc1oc(CNC(=O)c2nn(-c3ccccc3)cc2[O-])cc1C(=O)[O-] ZINC001608049089 1351614136 /nfs/dbraw/zinc/61/41/36/1351614136.db2.gz ZVJUNRCUVKDPKH-UHFFFAOYSA-N -2 0 341.323 2.108 20 0 EEADRL O=C([O-])[C@@H](CC1CC1)NC(=O)c1cc(Br)c(F)cc1[O-] ZINC001608392746 1351685220 /nfs/dbraw/zinc/68/52/20/1351685220.db2.gz XHAAZLHWTNQFTF-SNVBAGLBSA-N -2 0 346.152 2.277 20 0 EEADRL CC(C)c1ccc(NC(=O)c2c[n-]n3c2nccc3=O)c(C(=O)[O-])c1 ZINC001591968496 1403976616 /nfs/dbraw/zinc/97/66/16/1403976616.db2.gz OOJXQOMSUSZOAI-UHFFFAOYSA-N -2 0 340.339 2.097 20 0 EEADRL CC(C)CN(CCC(=O)[O-])C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000908856285 785795866 /nfs/dbraw/zinc/79/58/66/785795866.db2.gz YFRAKUVHKGLGCT-UHFFFAOYSA-N -2 0 349.362 2.290 20 0 EEADRL CC(C)(C)SCCCC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910185508 786517531 /nfs/dbraw/zinc/51/75/31/786517531.db2.gz WPIPAMXVIPHXPL-QWRGUYRKSA-N -2 0 331.434 2.075 20 0 EEADRL CC(C)(CC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1ccccc1 ZINC000910188843 786521354 /nfs/dbraw/zinc/52/13/54/786521354.db2.gz NNPKWEAURKJYIN-JSGCOSHPSA-N -2 0 333.384 2.131 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)cn1 ZINC000325455865 788703333 /nfs/dbraw/zinc/70/33/33/788703333.db2.gz PVMGOPVUVIUSQP-UHFFFAOYSA-N -2 0 348.380 2.007 20 0 EEADRL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-][C@@H](c1ncccc1F)C1CC1 ZINC001180180827 800288328 /nfs/dbraw/zinc/28/83/28/800288328.db2.gz UJEBQGGEIBTREO-MRVPVSSYSA-N -2 0 338.232 2.143 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cnn3ccccc23)cc1C(=O)[O-] ZINC001184667341 802126656 /nfs/dbraw/zinc/12/66/56/802126656.db2.gz JRIYGIFIGNFZOV-UHFFFAOYSA-N -2 0 331.353 2.142 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cccc3c2OCC3)cc1C(=O)[O-] ZINC001184697024 802132451 /nfs/dbraw/zinc/13/24/51/802132451.db2.gz NWAUGCZKOZAQSD-UHFFFAOYSA-N -2 0 333.365 2.429 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cccc3ocnc32)cc1C(=O)[O-] ZINC001185306957 802453229 /nfs/dbraw/zinc/45/32/29/802453229.db2.gz MKYGPYLFRRYHTE-UHFFFAOYSA-N -2 0 348.336 2.335 20 0 EEADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCO2 ZINC000325951616 971257612 /nfs/dbraw/zinc/25/76/12/971257612.db2.gz LHICXSPTZXQLMK-UHFFFAOYSA-N -2 0 349.364 2.129 20 0 EEADRL O=C([O-])CC1(C(=O)Nc2nccc(Br)c2[O-])CCC1 ZINC001594978167 950950295 /nfs/dbraw/zinc/95/02/95/950950295.db2.gz NKWDYMIRDJLKPS-UHFFFAOYSA-N -2 0 329.150 2.133 20 0 EEADRL CCOC(=O)c1[n-]c(NC(=O)c2ccc(C(=O)[O-])cc2)nc1Cl ZINC001591006109 951042009 /nfs/dbraw/zinc/04/20/09/951042009.db2.gz UFZMDBSVSUUDBW-UHFFFAOYSA-N -2 0 337.719 2.190 20 0 EEADRL O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)c1ccc(Cl)c([O-])c1)O2 ZINC001594749374 953407767 /nfs/dbraw/zinc/40/77/67/953407767.db2.gz IQAWPDYCXFCGFY-CSJGVYOVSA-N -2 0 339.775 2.188 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](NC(=O)c2cc(Br)c(F)cc2[O-])C1 ZINC001594790254 953691632 /nfs/dbraw/zinc/69/16/32/953691632.db2.gz GXIVINWBRLZOIY-RQJHMYQMSA-N -2 0 346.152 2.277 20 0 EEADRL O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1cc(Cl)cc(Br)c1[O-] ZINC001594794727 953704724 /nfs/dbraw/zinc/70/47/24/953704724.db2.gz TZLJNIGNAJUAIK-IAQIWYKVSA-N -2 0 348.580 2.401 20 0 EEADRL Cc1cc2cccnc2c(S(=O)(=O)[N-]c2cncc(C(=O)[O-])c2)c1 ZINC001594330537 958213808 /nfs/dbraw/zinc/21/38/08/958213808.db2.gz JCMLJNDEMRUYQN-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)n2)c1 ZINC001594366874 958497408 /nfs/dbraw/zinc/49/74/08/958497408.db2.gz TUQFAGLLBAEBMH-MNOVXSKESA-N -2 0 347.346 2.009 20 0 EEADRL CC(C)(C)CN(CC(=O)[O-])C(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC001573406515 958731220 /nfs/dbraw/zinc/73/12/20/958731220.db2.gz ZQJZFDICHCYDRP-UHFFFAOYSA-N -2 0 349.412 2.197 20 0 EEADRL C[C@@](Cc1ccc(F)cc1)(NC(=O)c1cc(F)ccc1O)C(=O)[O-] ZINC001571228434 962606159 /nfs/dbraw/zinc/60/61/59/962606159.db2.gz KSHMVTLVVVTDND-KRWDZBQOSA-N -2 0 335.306 2.486 20 0 EEADRL Cc1[nH]c(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)c(C)c1C(=O)[O-] ZINC001599954666 985667177 /nfs/dbraw/zinc/66/71/77/985667177.db2.gz LYCFHUGMGRMFKT-UHFFFAOYSA-N -2 0 341.327 2.073 20 0 EEADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)CC(C1CCC1)C1CCC1 ZINC001589455105 986890596 /nfs/dbraw/zinc/89/05/96/986890596.db2.gz ZQILXRJOQYALIP-GHMZBOCLSA-N -2 0 345.461 2.148 20 0 EEADRL CCSCc1ccnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC001597267747 987305259 /nfs/dbraw/zinc/30/52/59/987305259.db2.gz OKPWSPMEKHIJOA-UHFFFAOYSA-N -2 0 342.398 2.427 20 0 EEADRL CCc1ccc(NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-])c(C(=O)[O-])c1 ZINC001597542608 988231995 /nfs/dbraw/zinc/23/19/95/988231995.db2.gz DXGZWUQDTYAXLO-RKDXNWHRSA-N -2 0 325.386 2.481 20 0 EEADRL CCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(OC)c2)nc1 ZINC001597557084 988293743 /nfs/dbraw/zinc/29/37/43/988293743.db2.gz VWBNZFHPNVWVDZ-UHFFFAOYSA-N -2 0 336.369 2.152 20 0 EEADRL CCc1noc(C)c1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001597745786 989113277 /nfs/dbraw/zinc/11/32/77/989113277.db2.gz HEGZOOFTWMDGHY-UHFFFAOYSA-N -2 0 346.311 2.323 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(O)cc(F)c1 ZINC001597785205 989301146 /nfs/dbraw/zinc/30/11/46/989301146.db2.gz CQEHOUPRYSNYBU-UHFFFAOYSA-N -2 0 329.305 2.186 20 0 EEADRL CC(C)C[C@H](CNC(=O)N1CCc2c(cccc2C(=O)[O-])C1)C(=O)[O-] ZINC001591149123 991888026 /nfs/dbraw/zinc/88/80/26/991888026.db2.gz AETNAHDGZIAAJB-CYBMUJFWSA-N -2 0 348.399 2.199 20 0 EEADRL CC(C)CCCCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001591236318 992116446 /nfs/dbraw/zinc/11/64/46/992116446.db2.gz BNBGSPQAWORMCD-UHFFFAOYSA-N -2 0 333.431 2.468 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cc3c(cn2)CCC3)cc1C(=O)[O-] ZINC001599616489 994021830 /nfs/dbraw/zinc/02/18/30/994021830.db2.gz BJBJQUTWJBWKJT-UHFFFAOYSA-N -2 0 348.380 2.078 20 0 EEADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001549304473 1121197410 /nfs/dbraw/zinc/19/74/10/1121197410.db2.gz VYTAOKSQJGOODY-MCIONIFRSA-N -2 0 333.384 2.060 20 0 EEADRL C[C@H](C(=O)[O-])[C@@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)c1ccccc1 ZINC000274984053 539703108 /nfs/dbraw/zinc/70/31/08/539703108.db2.gz JYYORAJMOPICOM-ATZCPNFKSA-N -2 0 339.335 2.319 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cnn(C(C)(C)C)c1 ZINC000357385426 539914454 /nfs/dbraw/zinc/91/44/54/539914454.db2.gz SALFPKHJYBDLRZ-UHFFFAOYSA-N -2 0 337.401 2.446 20 0 EEADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)cc1F ZINC000355784312 163301379 /nfs/dbraw/zinc/30/13/79/163301379.db2.gz JLYJJVSRSVINLX-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL C[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)s1)CC(=O)[O-] ZINC000290982581 275257816 /nfs/dbraw/zinc/25/78/16/275257816.db2.gz QFYMTYSRFPDMRQ-LURJTMIESA-N -2 0 331.337 2.156 20 0 EEADRL CCCCn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c1C ZINC000160208261 311351494 /nfs/dbraw/zinc/35/14/94/311351494.db2.gz XSFFTRHNWFAROH-UHFFFAOYSA-N -2 0 341.389 2.392 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cnoc2C2CC2)cc1C(=O)[O-] ZINC000414388723 313009591 /nfs/dbraw/zinc/00/95/91/313009591.db2.gz ZZARVTGVZLKVMJ-UHFFFAOYSA-N -2 0 338.341 2.060 20 0 EEADRL CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000436881396 315008861 /nfs/dbraw/zinc/00/88/61/315008861.db2.gz SRLGPFGTGGQXNU-UHFFFAOYSA-N -2 0 335.337 2.094 20 0 EEADRL CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000437000342 315021863 /nfs/dbraw/zinc/02/18/63/315021863.db2.gz HUSHATFDLNEDMS-UHFFFAOYSA-N -2 0 341.366 2.155 20 0 EEADRL C[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3F)cc2[O-])[C@@H]1C(=O)[O-] ZINC000518755500 316743604 /nfs/dbraw/zinc/74/36/04/316743604.db2.gz AMSUXXKXQKKVBK-BMIGLBTASA-N -2 0 347.346 2.042 20 0 EEADRL COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c1O ZINC000540906865 318082573 /nfs/dbraw/zinc/08/25/73/318082573.db2.gz RCPUPNJBMTWSNF-UHFFFAOYSA-N -2 0 343.382 2.270 20 0 EEADRL Cc1cc(C)cc([C@@H]([N-]S(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-])c1 ZINC000547585553 318301337 /nfs/dbraw/zinc/30/13/37/318301337.db2.gz SBYRQIYYXLZOSA-MWLCHTKSSA-N -2 0 339.335 2.299 20 0 EEADRL COc1ccc(CN=c2nc(C(F)(F)F)[n-]s2)cc1C(=O)[O-] ZINC000576946989 320219141 /nfs/dbraw/zinc/21/91/41/320219141.db2.gz FMYUSWSJWJCMNO-UHFFFAOYSA-N -2 0 333.291 2.298 20 0 EEADRL CCCc1nc(=NCc2cccc(-n3ccc(C(=O)[O-])n3)c2)s[n-]1 ZINC000578774519 323706012 /nfs/dbraw/zinc/70/60/12/323706012.db2.gz CFXBYXWYSNUSCG-UHFFFAOYSA-N -2 0 343.412 2.409 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cncc(F)c2)cc1Cl ZINC000044260863 463671953 /nfs/dbraw/zinc/67/19/53/463671953.db2.gz BGYUANCXCJTTNI-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1[O-])c1ccccc1 ZINC000029006794 463239762 /nfs/dbraw/zinc/23/97/62/463239762.db2.gz NFCKWVHZEAEBQF-LBPRGKRZSA-N -2 0 330.296 2.497 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC000044576962 463684143 /nfs/dbraw/zinc/68/41/43/463684143.db2.gz XAXYQTNHKZUFMS-UHFFFAOYSA-N -2 0 336.325 2.402 20 0 EEADRL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2cncc(F)c2)cc1 ZINC000340178138 465849257 /nfs/dbraw/zinc/84/92/57/465849257.db2.gz JWVXABUKYPXYKK-UHFFFAOYSA-N -2 0 338.360 2.429 20 0 EEADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000357898863 466300682 /nfs/dbraw/zinc/30/06/82/466300682.db2.gz ZLEKIVATRQECKR-UHFFFAOYSA-N -2 0 326.761 2.163 20 0 EEADRL COCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)cc1 ZINC000340905785 466423527 /nfs/dbraw/zinc/42/35/27/466423527.db2.gz VUBWWRVKTYOJGC-UHFFFAOYSA-N -2 0 337.353 2.038 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)c1F ZINC000313239144 466537108 /nfs/dbraw/zinc/53/71/08/466537108.db2.gz QHENBQMVQFOLHL-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL Cc1oc(CNS(=O)(=O)c2c(F)cccc2F)cc1C(=O)[O-] ZINC000314499965 466551719 /nfs/dbraw/zinc/55/17/19/466551719.db2.gz SXQHGDNUXQCUSB-UHFFFAOYSA-N -2 0 331.296 2.043 20 0 EEADRL Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000347396779 466609094 /nfs/dbraw/zinc/60/90/94/466609094.db2.gz LMNBGINNEWLMIE-UHFFFAOYSA-N -2 0 335.341 2.272 20 0 EEADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c[nH]c2ncccc12 ZINC000324967012 466652098 /nfs/dbraw/zinc/65/20/98/466652098.db2.gz YWTCAFBDVQRNGC-UHFFFAOYSA-N -2 0 347.352 2.071 20 0 EEADRL Cc1c(F)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000433519484 467337658 /nfs/dbraw/zinc/33/76/58/467337658.db2.gz LPKFPNOQQJHZGY-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL Cn1ccc2c1cccc2[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000531433136 468052063 /nfs/dbraw/zinc/05/20/63/468052063.db2.gz MYSFKTIBWZDJRB-UHFFFAOYSA-N -2 0 346.364 2.383 20 0 EEADRL CCn1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c1C ZINC000607881680 469720047 /nfs/dbraw/zinc/72/00/47/469720047.db2.gz YAIQOXCNAWKINA-UHFFFAOYSA-N -2 0 343.430 2.389 20 0 EEADRL CC(C)(C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)CC(=O)[O-] ZINC000650408300 470872802 /nfs/dbraw/zinc/87/28/02/470872802.db2.gz XUFSBKFUERGQMS-UHFFFAOYSA-N -2 0 341.763 2.397 20 0 EEADRL C[C@H](NC(=O)c1cccc(OCC(=O)[O-])c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000659767155 471735721 /nfs/dbraw/zinc/73/57/21/471735721.db2.gz OJLOHKSZZFKBJU-LEWSCRJBSA-N -2 0 349.383 2.015 20 0 EEADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cnc(Cl)n1C ZINC000765096526 577494858 /nfs/dbraw/zinc/49/48/58/577494858.db2.gz YADJLWBGFXWYBC-UHFFFAOYSA-N -2 0 343.792 2.135 20 0 EEADRL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000756784352 577850199 /nfs/dbraw/zinc/85/01/99/577850199.db2.gz DWGQVCXWTQLQTI-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL Cc1ccccc1CCC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000738767629 578026160 /nfs/dbraw/zinc/02/61/60/578026160.db2.gz IEYHELRMMXDFRI-UHFFFAOYSA-N -2 0 347.392 2.131 20 0 EEADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c1C(=O)[O-] ZINC000738830084 578028035 /nfs/dbraw/zinc/02/80/35/578028035.db2.gz ZFAJCZWTMGAOMK-UHFFFAOYSA-N -2 0 333.728 2.010 20 0 EEADRL CN(Cc1ccc([N-]S(=O)(=O)c2cncc(F)c2)cc1)C(=O)[O-] ZINC000737485675 578260283 /nfs/dbraw/zinc/26/02/83/578260283.db2.gz ANLQJFDFWIYDQR-UHFFFAOYSA-N -2 0 339.348 2.131 20 0 EEADRL O=C([O-])[C@H]1CCCCN1C(=O)c1cccc(Br)c1[O-] ZINC000821508993 597458052 /nfs/dbraw/zinc/45/80/52/597458052.db2.gz ATWGGZCHUGZGGT-SNVBAGLBSA-N -2 0 328.162 2.234 20 0 EEADRL Cc1cc(C(=O)NC(C)(C)CCC(=O)[O-])cc(C)c1OCC(=O)[O-] ZINC000820959439 598197881 /nfs/dbraw/zinc/19/78/81/598197881.db2.gz RFHWIIPBJONAOH-UHFFFAOYSA-N -2 0 337.372 2.140 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)nc1 ZINC000832413201 600985681 /nfs/dbraw/zinc/98/56/81/600985681.db2.gz JGUCGAXUSVPHPN-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)C1CCCC1 ZINC000826008759 601141928 /nfs/dbraw/zinc/14/19/28/601141928.db2.gz MTHIWSICECKKSY-NSHDSACASA-N -2 0 339.413 2.157 20 0 EEADRL CCn1nc(C)c([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1C ZINC000830440749 601332953 /nfs/dbraw/zinc/33/29/53/601332953.db2.gz HDGOWHVIHIZSMU-JXMROGBWSA-N -2 0 349.412 2.418 20 0 EEADRL CCc1csc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n1 ZINC000830299427 601360047 /nfs/dbraw/zinc/36/00/47/601360047.db2.gz PHXWBKKVZGEGKD-UHFFFAOYSA-N -2 0 330.362 2.344 20 0 EEADRL CCC(CC)c1nnc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)s1 ZINC000828870343 601501635 /nfs/dbraw/zinc/50/16/35/601501635.db2.gz OIUIQMWKXMXIHF-UHFFFAOYSA-N -2 0 344.418 2.269 20 0 EEADRL CCOc1ccccc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000830110054 601831365 /nfs/dbraw/zinc/83/13/65/601831365.db2.gz YGSDLKGZMYKQAS-UHFFFAOYSA-N -2 0 328.371 2.041 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)n1 ZINC000830270037 601945646 /nfs/dbraw/zinc/94/56/46/601945646.db2.gz JYXJBNOGOTVBAH-HNNXBMFYSA-N -2 0 345.399 2.369 20 0 EEADRL CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)c1 ZINC000825963607 602113781 /nfs/dbraw/zinc/11/37/81/602113781.db2.gz FEBXEGCNVBAFQW-UHFFFAOYSA-N -2 0 325.367 2.450 20 0 EEADRL O=C([O-])c1csc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)c1 ZINC000833343386 602118420 /nfs/dbraw/zinc/11/84/20/602118420.db2.gz CHBSXCBIBPFLMO-UHFFFAOYSA-N -2 0 349.393 2.433 20 0 EEADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000833346623 602156459 /nfs/dbraw/zinc/15/64/59/602156459.db2.gz MBEVAALYEQFSBB-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)[nH]n2)cc1 ZINC000833266668 602308468 /nfs/dbraw/zinc/30/84/68/602308468.db2.gz APQLQVQCWUFPBO-UHFFFAOYSA-N -2 0 349.412 2.495 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(C3CCCCC3)[nH]n2)c[nH]1 ZINC000833304249 602308776 /nfs/dbraw/zinc/30/87/76/602308776.db2.gz WRIXROBWKYSQJY-UHFFFAOYSA-N -2 0 338.389 2.285 20 0 EEADRL O=C([O-])CCc1csc([N-]S(=O)(=O)c2ccccc2F)n1 ZINC000833243448 604625268 /nfs/dbraw/zinc/62/52/68/604625268.db2.gz GPXWMAHUTWUIJR-UHFFFAOYSA-N -2 0 330.362 2.100 20 0 EEADRL C[C@@H]1CC(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C[C@@H](C)C1 ZINC000833592584 605675640 /nfs/dbraw/zinc/67/56/40/605675640.db2.gz DOQAAHARYXEDFC-IUCAKERBSA-N -2 0 345.442 2.324 20 0 EEADRL Cc1cc(F)c(S(=O)(=O)N[C@H]2CCCC2(F)F)cc1C(=O)[O-] ZINC000806567032 675332497 /nfs/dbraw/zinc/33/24/97/675332497.db2.gz RGZPTCQQKOKUFC-NSHDSACASA-N -2 0 337.319 2.298 20 0 EEADRL CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC=CC1 ZINC000863962836 1197938516 /nfs/dbraw/zinc/93/85/16/1197938516.db2.gz YWVRLJKKUMLACY-CYBMUJFWSA-N -2 0 337.397 2.005 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)c(Cl)n1 ZINC000800834127 1234645060 /nfs/dbraw/zinc/64/50/60/1234645060.db2.gz VTBUKDHIVBJZJD-UHFFFAOYSA-N -2 0 342.760 2.248 20 0 EEADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccnn2CCF)c1 ZINC001187553324 1279580324 /nfs/dbraw/zinc/58/03/24/1279580324.db2.gz PPWYZCOKSARUAT-UHFFFAOYSA-N -2 0 347.755 2.005 20 0 EEADRL COc1cccc(CS(=O)(=O)[N-]c2ncc(Cl)cc2[O-])c1 ZINC001197347060 1284556469 /nfs/dbraw/zinc/55/64/69/1284556469.db2.gz GLOMNAUHUMKQJP-UHFFFAOYSA-N -2 0 328.777 2.391 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cncc(OC(F)F)c1 ZINC001198747007 1285316887 /nfs/dbraw/zinc/31/68/87/1285316887.db2.gz QKUUEHGTDRXZGQ-UHFFFAOYSA-N -2 0 344.295 2.182 20 0 EEADRL COC(=O)c1[n-]c(=O)nc(O[C@H](C)C2=CC=C[CH]2)c1Br ZINC001227329838 1301783423 /nfs/dbraw/zinc/78/34/23/1301783423.db2.gz NBFAKQGGQDDETP-SSDOTTSWSA-N -2 0 340.153 2.199 20 0 EEADRL NC(=O)c1cc2ccccc2c(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242159999 1309622881 /nfs/dbraw/zinc/62/28/81/1309622881.db2.gz ALPHUMGZVOQITO-UHFFFAOYSA-N -2 0 336.303 2.397 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccn(C3CCOCC3)c(=O)c2)c1 ZINC001242163727 1309625521 /nfs/dbraw/zinc/62/55/21/1309625521.db2.gz IMVFIDIHFZKRLK-UHFFFAOYSA-N -2 0 343.335 2.263 20 0 EEADRL CCOC(=O)[C@H](C)n1cc(-c2c(C(=O)[O-])cccc2C(=O)[O-])cn1 ZINC001245329130 1310073711 /nfs/dbraw/zinc/07/37/11/1310073711.db2.gz KOBSAMFAOZDYDI-VIFPVBQESA-N -2 0 332.312 2.071 20 0 EEADRL Cn1nc(C2CCC2)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260222048 1319837331 /nfs/dbraw/zinc/83/73/31/1319837331.db2.gz IZKPLZCLMKLRMY-UHFFFAOYSA-N -2 0 335.385 2.187 20 0 EEADRL CN(C)C(=O)c1cccc([N-]S(=O)(=O)CC2CCCCC2)c1[O-] ZINC001259619539 1319630359 /nfs/dbraw/zinc/63/03/59/1319630359.db2.gz UDHIMAGVMQYXKM-UHFFFAOYSA-N -2 0 340.445 2.416 20 0 EEADRL Cn1c2ccccc2nc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260183211 1319817174 /nfs/dbraw/zinc/81/71/74/1319817174.db2.gz DBOUITQMAAUNJN-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n(C2CCC2)n1 ZINC001260184202 1319819036 /nfs/dbraw/zinc/81/90/36/1319819036.db2.gz BBAJZJJDDSFCRJ-UHFFFAOYSA-N -2 0 335.385 2.416 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cn(C3CCC3)cn2)c1 ZINC001260210421 1319833173 /nfs/dbraw/zinc/83/31/73/1319833173.db2.gz KPDINGOVHNVYSP-UHFFFAOYSA-N -2 0 339.348 2.246 20 0 EEADRL Cc1cc(CO)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC001260216454 1319834359 /nfs/dbraw/zinc/83/43/59/1319834359.db2.gz ISEYGBQVIOKHBX-UHFFFAOYSA-N -2 0 339.344 2.125 20 0 EEADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])n2)c1 ZINC001600425324 1350048412 /nfs/dbraw/zinc/04/84/12/1350048412.db2.gz PTPBOAWVCFUOKZ-UHFFFAOYSA-N -2 0 340.788 2.471 20 0 EEADRL O=C([O-])CCCO[N-]C(=O)Cc1nc(-c2ccc(F)cc2)cs1 ZINC001608716181 1351747498 /nfs/dbraw/zinc/74/74/98/1351747498.db2.gz AJNUQZFMOGFZPA-UHFFFAOYSA-N -2 0 338.360 2.404 20 0 EEADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cccc3cccnc32)n1 ZINC001608786963 1351763519 /nfs/dbraw/zinc/76/35/19/1351763519.db2.gz DZPYDGZKPHSURL-UHFFFAOYSA-N -2 0 343.364 2.058 20 0 EEADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc(C2CCC2)c1 ZINC001609639103 1352048260 /nfs/dbraw/zinc/04/82/60/1352048260.db2.gz QWLQRXVQCUJKNO-WDEREUQCSA-N -2 0 339.413 2.123 20 0 EEADRL COc1ccc(O)c(S(=O)(=O)[N-]c2c(C)csc2C(=O)[O-])c1 ZINC001610344255 1352208819 /nfs/dbraw/zinc/20/88/19/1352208819.db2.gz KHWGZWOWQXEWTC-UHFFFAOYSA-N -2 0 343.382 2.270 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2N)c(F)cc1F ZINC001610478197 1352229313 /nfs/dbraw/zinc/22/93/13/1352229313.db2.gz WWZXJYFBUFNTBV-UHFFFAOYSA-N -2 0 342.323 2.354 20 0 EEADRL O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2O)cc1 ZINC001610752412 1352268978 /nfs/dbraw/zinc/26/89/78/1352268978.db2.gz UQESMCVVFTWUOL-FPYGCLRLSA-N -2 0 337.328 2.430 20 0 EEADRL O=C([O-])c1c(F)ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1F ZINC001610807269 1352278193 /nfs/dbraw/zinc/27/81/93/1352278193.db2.gz TUNXAAVRFJRYFF-HTQZYQBOSA-N -2 0 325.267 2.269 20 0 EEADRL Cc1c(NC(=O)C(=O)[N-]OCc2ccc(F)cc2)cccc1C(=O)[O-] ZINC001600029652 1349958131 /nfs/dbraw/zinc/95/81/31/1349958131.db2.gz HESIUMNYKQNHCV-UHFFFAOYSA-N -2 0 346.314 2.019 20 0 EEADRL Cc1cc(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)oc1C(=O)[O-] ZINC001600098388 1349970688 /nfs/dbraw/zinc/97/06/88/1349970688.db2.gz QCKFMBCTEQCCGK-UHFFFAOYSA-N -2 0 327.296 2.430 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)sc1C ZINC001600296853 1350013388 /nfs/dbraw/zinc/01/33/88/1350013388.db2.gz HMVWLTJLDLSYSQ-QWRGUYRKSA-N -2 0 345.442 2.061 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc2cc(C)ccc2[nH]1 ZINC001600489548 1350063764 /nfs/dbraw/zinc/06/37/64/1350063764.db2.gz ZSJJOEJOMKVFDZ-UHFFFAOYSA-N -2 0 335.341 2.272 20 0 EEADRL Cc1cccc(NC(=O)N2C[C@@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)c1 ZINC001600539938 1350077224 /nfs/dbraw/zinc/07/72/24/1350077224.db2.gz MUJDCYUBULVJRE-XKZABGERSA-N -2 0 332.356 2.024 20 0 EEADRL Cc1cnc([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])o1 ZINC001600626250 1350101197 /nfs/dbraw/zinc/10/11/97/1350101197.db2.gz OUTLWQBJTXRLDN-UHFFFAOYSA-N -2 0 333.325 2.030 20 0 EEADRL Cc1oc(CN(C)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])cc1C(=O)[O-] ZINC001600842666 1350149821 /nfs/dbraw/zinc/14/98/21/1350149821.db2.gz CHMSQGLFRUVPAC-LLVKDONJSA-N -2 0 340.376 2.175 20 0 EEADRL O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)cc1 ZINC001601884866 1350390604 /nfs/dbraw/zinc/39/06/04/1350390604.db2.gz NPCRFNPWBTULCH-RMKNXTFCSA-N -2 0 347.396 2.118 20 0 EEADRL O=C([O-])c1cc(F)ccc1S(=O)(=O)[N-]c1cc(F)ccc1O ZINC001602276529 1350483994 /nfs/dbraw/zinc/48/39/94/1350483994.db2.gz FDHRGTXNBFGSOL-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1c[nH]nc1C1CC1 ZINC001602363354 1350504502 /nfs/dbraw/zinc/50/45/02/1350504502.db2.gz QCWBFGXYTITMFW-UHFFFAOYSA-N -2 0 341.776 2.440 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccnn2C2CCC2)cc1F ZINC001602402022 1350510920 /nfs/dbraw/zinc/51/09/20/1350510920.db2.gz DMTDDESNBGWEJN-UHFFFAOYSA-N -2 0 339.348 2.246 20 0 EEADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)C1(C2CCC2)CCC1 ZINC001602598700 1350553919 /nfs/dbraw/zinc/55/39/19/1350553919.db2.gz GYUSOJUUODMNPS-UHFFFAOYSA-N -2 0 343.426 2.222 20 0 EEADRL CC(C)c1ncsc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001604020533 1350831629 /nfs/dbraw/zinc/83/16/29/1350831629.db2.gz WVVXCNRWWXRMRZ-UHFFFAOYSA-N -2 0 329.403 2.104 20 0 EEADRL CC[C@@H]1CCCC[C@@H]1OCC(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001604098774 1350856136 /nfs/dbraw/zinc/85/61/36/1350856136.db2.gz DWENDNMNEWDSDY-DOMZBBRYSA-N -2 0 345.403 2.262 20 0 EEADRL CCCc1nnc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)o1 ZINC001605383456 1351149877 /nfs/dbraw/zinc/14/98/77/1351149877.db2.gz KZOGOUDQDYOMAK-UHFFFAOYSA-N -2 0 345.764 2.175 20 0 EEADRL Cc1[nH]c(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c(C)c1C(=O)[O-] ZINC001607490605 1351503675 /nfs/dbraw/zinc/50/36/75/1351503675.db2.gz RZMSVITVVMTYLW-KRWDZBQOSA-N -2 0 330.340 2.060 20 0 EEADRL Cc1c(C(=O)[O-])csc1NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001607521425 1351510226 /nfs/dbraw/zinc/51/02/26/1351510226.db2.gz GDKAZHRFAFTLNS-UHFFFAOYSA-N -2 0 345.336 2.350 20 0 EEADRL Cc1onc(N)c1S(=O)(=O)[N-]c1ccc(C(C)C)cc1C(=O)[O-] ZINC001608058723 1351616495 /nfs/dbraw/zinc/61/64/95/1351616495.db2.gz PEJFMYPIKULMHQ-UHFFFAOYSA-N -2 0 339.373 2.188 20 0 EEADRL O=C([O-])c1cc(F)cc(NC(=O)C[C@@]2(C(=O)[O-])CCSC2)c1F ZINC001608290814 1351664636 /nfs/dbraw/zinc/66/46/36/1351664636.db2.gz YVRVATQNWCYVQD-AWEZNQCLSA-N -2 0 345.323 2.200 20 0 EEADRL O=C([O-])c1cc(NC(=O)NCC2(C(=O)[O-])CC2)cc(Cl)c1F ZINC001608426568 1351692884 /nfs/dbraw/zinc/69/28/84/1351692884.db2.gz FSGJHAIQFOMJMU-UHFFFAOYSA-N -2 0 330.699 2.164 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccn2)c(Cl)cc1F ZINC001193965714 1368483635 /nfs/dbraw/zinc/48/36/35/1368483635.db2.gz SCYFPFJEUGYZIY-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL Cc1ccc(Nc2ccc(C(=O)NCC(=O)[O-])cc2)cc1C(=O)[O-] ZINC001211608519 761081457 /nfs/dbraw/zinc/08/14/57/761081457.db2.gz YBCFUFJXVXIWEM-UHFFFAOYSA-N -2 0 328.324 2.251 20 0 EEADRL CC[C@H](C)N(CC(=O)[O-])C(=O)c1nn(-c2cc(C)ccc2F)cc1[O-] ZINC000909312482 786173444 /nfs/dbraw/zinc/17/34/44/786173444.db2.gz NESNOJMLUKMFJV-NSHDSACASA-N -2 0 349.362 2.351 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@H]2CCSc3ccccc32)C1 ZINC000910182725 786514640 /nfs/dbraw/zinc/51/46/40/786514640.db2.gz IYGGNJNGJIRYDN-WXHSDQCUSA-N -2 0 349.408 2.042 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 ZINC000910184468 786516906 /nfs/dbraw/zinc/51/69/06/786516906.db2.gz RJHFWVQZPUSFIX-AJNGGQMLSA-N -2 0 337.416 2.369 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000910186251 786518692 /nfs/dbraw/zinc/51/86/92/786518692.db2.gz PCBLCQWYRAORHL-CPCISQLKSA-N -2 0 346.166 2.383 20 0 EEADRL O=C([O-])[C@@H]1CCCN(CC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC000911155127 787276380 /nfs/dbraw/zinc/27/63/80/787276380.db2.gz QMIWPQCYXOPBSR-MRVPVSSYSA-N -2 0 347.198 2.434 20 0 EEADRL O=C([O-])C1(C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)CCOCC1 ZINC000911807667 787736783 /nfs/dbraw/zinc/73/67/83/787736783.db2.gz WGZWCBSJRUOXAJ-UHFFFAOYSA-N -2 0 347.289 2.135 20 0 EEADRL O=S(=O)([O-])c1ccc(S(=O)(=O)[O-])c(Nc2cccc(F)c2)c1 ZINC001173837626 797648168 /nfs/dbraw/zinc/64/81/68/797648168.db2.gz DHYNPIIHNOHLQX-UHFFFAOYSA-N -2 0 347.345 2.063 20 0 EEADRL C[C@H](C(=O)NCCOP(=O)([O-])[O-])c1ccc(F)c2ccccc21 ZINC001183511099 801633398 /nfs/dbraw/zinc/63/33/98/801633398.db2.gz ZRILKNMTSJRRQB-JTQLQIEISA-N -2 0 341.275 2.308 20 0 EEADRL C[C@]12C[C@@H]3C[C@](C(=O)NCCOP(=O)([O-])[O-])(C1)C[C@@](C)(C3)C2 ZINC001184497190 802038247 /nfs/dbraw/zinc/03/82/47/802038247.db2.gz MHSKURXPDNGZQR-FHRQKTJPSA-N -2 0 331.349 2.209 20 0 EEADRL O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1)C1CCCC1 ZINC000863952336 939243370 /nfs/dbraw/zinc/24/33/70/939243370.db2.gz SKKBCTKALMKCMO-GFCCVEGCSA-N -2 0 345.804 2.036 20 0 EEADRL O=C([O-])CC[C@H]1C[C@H](C(=O)Nc2cc(F)cc(Cl)c2[O-])CO1 ZINC001595003588 951168481 /nfs/dbraw/zinc/16/84/81/951168481.db2.gz FOSHARJNFRGSAZ-CBAPKCEASA-N -2 0 331.727 2.393 20 0 EEADRL COc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1CC(=O)[O-] ZINC001594099208 958421323 /nfs/dbraw/zinc/42/13/23/958421323.db2.gz ALNSKHNDJAUBFE-UHFFFAOYSA-N -2 0 339.344 2.262 20 0 EEADRL N#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1F ZINC000307915627 963237490 /nfs/dbraw/zinc/23/74/90/963237490.db2.gz JADBVDSTISVQBK-UHFFFAOYSA-N -2 0 338.291 2.335 20 0 EEADRL Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)n1 ZINC000314230391 963728167 /nfs/dbraw/zinc/72/81/67/963728167.db2.gz VAGFIRMWMRLCHI-UHFFFAOYSA-N -2 0 341.776 2.246 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nccnc3c2)s1 ZINC000314788987 963810227 /nfs/dbraw/zinc/81/02/27/963810227.db2.gz VANCOTVBKALBFZ-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)c1C(=O)[O-] ZINC000319538437 970545262 /nfs/dbraw/zinc/54/52/62/970545262.db2.gz DDNQBSSUIGUDFJ-UHFFFAOYSA-N -2 0 335.341 2.272 20 0 EEADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cn2)c(F)c1 ZINC001605178597 972887989 /nfs/dbraw/zinc/88/79/89/972887989.db2.gz APMPNZOQSFJRLJ-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL C[C@@H](CN(Cc1ccccc1)S(=O)(=O)c1ccccc1[O-])C(=O)[O-] ZINC001592610214 978561517 /nfs/dbraw/zinc/56/15/17/978561517.db2.gz UJVSMUJDNJEGHC-ZDUSSCGKSA-N -2 0 349.408 2.304 20 0 EEADRL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2ccccc2O)cc1 ZINC000833239918 979126020 /nfs/dbraw/zinc/12/60/20/979126020.db2.gz NPSOFYXBTXELSE-UHFFFAOYSA-N -2 0 337.353 2.047 20 0 EEADRL C[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593002092 980214017 /nfs/dbraw/zinc/21/40/17/980214017.db2.gz BBBCFZNERQUTEO-CKIKVBCHSA-N -2 0 325.405 2.129 20 0 EEADRL CCC(C)(C)CS(=O)(=O)[N-]C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001594801847 981899097 /nfs/dbraw/zinc/89/90/97/981899097.db2.gz SIULYPHBJLWSGV-UHFFFAOYSA-N -2 0 345.461 2.294 20 0 EEADRL CCCCc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)o1 ZINC001595799467 982613645 /nfs/dbraw/zinc/61/36/45/982613645.db2.gz SAYKMCWVSKOPEW-UHFFFAOYSA-N -2 0 343.336 2.050 20 0 EEADRL CC[C@@H](C)C[C@H](NC(=O)c1nn(-c2ccccc2F)cc1[O-])C(=O)[O-] ZINC001594950362 982659654 /nfs/dbraw/zinc/65/96/54/982659654.db2.gz XWUQLRUILSCUCU-PWSUYJOCSA-N -2 0 349.362 2.336 20 0 EEADRL CCCc1ccc(NS(=O)(=O)CC(C)(C)C(=O)[O-])c(C(=O)[O-])c1 ZINC001596069179 983383621 /nfs/dbraw/zinc/38/36/21/983383621.db2.gz RWTBSCDDSYAYIQ-UHFFFAOYSA-N -2 0 343.401 2.190 20 0 EEADRL C[C@@H](C(=O)[O-])c1cccc([N-]S(=O)(=O)c2cnc3n2CCCC3)c1 ZINC001589540038 987239090 /nfs/dbraw/zinc/23/90/90/987239090.db2.gz OETGHGYZBKGSFL-LLVKDONJSA-N -2 0 349.412 2.208 20 0 EEADRL CC(C)(C(=O)[O-])C(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001589588584 987384310 /nfs/dbraw/zinc/38/43/10/987384310.db2.gz BBGRTWGZEQEMMQ-AWEZNQCLSA-N -2 0 343.379 2.310 20 0 EEADRL CC(C)(C(=O)[O-])[C@@H](NC(=O)NCCCCC(=O)[O-])c1ccccc1 ZINC001589593595 987408022 /nfs/dbraw/zinc/40/80/22/987408022.db2.gz GYVKFDUPSSJCQT-AWEZNQCLSA-N -2 0 336.388 2.393 20 0 EEADRL CC(C)(C(=O)[O-])n1cc(NC(=O)c2cc(F)cc(Cl)c2[O-])cn1 ZINC001589670036 987662146 /nfs/dbraw/zinc/66/21/46/987662146.db2.gz LOLOMIQUGIAKDO-UHFFFAOYSA-N -2 0 341.726 2.453 20 0 EEADRL CCc1cnc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)s1 ZINC001597632402 988604548 /nfs/dbraw/zinc/60/45/48/988604548.db2.gz VCWZSHKKIPCGLW-UHFFFAOYSA-N -2 0 344.389 2.273 20 0 EEADRL CN(C(=O)c1ccc([O-])c(Cl)c1)[C@@H](COC1CCC1)C(=O)[O-] ZINC001598087865 990419399 /nfs/dbraw/zinc/41/93/99/990419399.db2.gz LTYFNUWJXLJMBX-LBPRGKRZSA-N -2 0 327.764 2.140 20 0 EEADRL CC(C)(C)c1ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cc1 ZINC001590798883 990625491 /nfs/dbraw/zinc/62/54/91/990625491.db2.gz GVSICHVKAOQRGF-UHFFFAOYSA-N -2 0 341.429 2.155 20 0 EEADRL CC(C)Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)n[nH]1 ZINC001591477675 992599166 /nfs/dbraw/zinc/59/91/66/992599166.db2.gz VEOPDNMFWIUHAT-UHFFFAOYSA-N -2 0 341.364 2.246 20 0 EEADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001599584074 993589222 /nfs/dbraw/zinc/58/92/22/993589222.db2.gz CWXOHLKISYLLBH-UHFFFAOYSA-N -2 0 329.305 2.235 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cc(C)c(C(=O)[O-])cn2)c(C)c1 ZINC001599616858 994026275 /nfs/dbraw/zinc/02/62/75/994026275.db2.gz URECFXMIQXXVNF-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL C[C@H](Sc1ccccc1C(=O)N1CC[C@@](C)(C(=O)[O-])C1)C(=O)[O-] ZINC001593667511 996057716 /nfs/dbraw/zinc/05/77/16/996057716.db2.gz GEVGSGQZIKGDMK-MGPLVRAMSA-N -2 0 337.397 2.189 20 0 EEADRL COc1cc(C)c(C)cc1[N-]S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001599391121 997038443 /nfs/dbraw/zinc/03/84/43/997038443.db2.gz ZOTUOFOMSKESQL-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL COc1cc(CC(=O)[O-])ccc1-c1ccccc1[C@@H](O)CC(=O)[O-] ZINC001599402202 997234288 /nfs/dbraw/zinc/23/42/88/997234288.db2.gz XDKHYTHQDCLYRR-HNNXBMFYSA-N -2 0 330.336 2.497 20 0 EEADRL COC(=O)c1c[nH]c(SCCOc2ccc(C=CC(=O)[O-])cc2)n1 ZINC001598917356 997497434 /nfs/dbraw/zinc/49/74/34/997497434.db2.gz OUFHMMRNIRTSKD-QPJJXVBHSA-N -2 0 348.380 2.465 20 0 EEADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC001549304472 1121197169 /nfs/dbraw/zinc/19/71/69/1121197169.db2.gz VYTAOKSQJGOODY-IHRRRGAJSA-N -2 0 333.384 2.060 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2ccc(F)cc2OC)cc1C(=O)[O-] ZINC000320461101 539751770 /nfs/dbraw/zinc/75/17/70/539751770.db2.gz ZMYQIKRTGYMTGO-UHFFFAOYSA-N -2 0 342.348 2.155 20 0 EEADRL CSc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000037418371 213146236 /nfs/dbraw/zinc/14/62/36/213146236.db2.gz HXOFYDXKELOSKI-UHFFFAOYSA-N -2 0 326.399 2.246 20 0 EEADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000267888569 256094202 /nfs/dbraw/zinc/09/42/02/256094202.db2.gz SOOZKOVCHLMOOY-GFCCVEGCSA-N -2 0 343.401 2.093 20 0 EEADRL CCc1ncc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(OC)c2)s1 ZINC000432778652 314723520 /nfs/dbraw/zinc/72/35/20/314723520.db2.gz ZLTRPFIQSZCPJX-UHFFFAOYSA-N -2 0 342.398 2.213 20 0 EEADRL CCC(C)(C)CS(=O)(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000530133085 317690481 /nfs/dbraw/zinc/69/04/81/317690481.db2.gz BCXALAWKTVSYDH-UHFFFAOYSA-N -2 0 329.374 2.261 20 0 EEADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000547871924 318331189 /nfs/dbraw/zinc/33/11/89/318331189.db2.gz JKWDRHJBMVQHCD-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL CC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1O ZINC000564280581 319075241 /nfs/dbraw/zinc/07/52/41/319075241.db2.gz IELWRSJSTDARAR-UHFFFAOYSA-N -2 0 341.366 2.155 20 0 EEADRL Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])s1 ZINC000175690934 464601864 /nfs/dbraw/zinc/60/18/64/464601864.db2.gz OFVXADSKBKMUQK-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL COc1ccc(C)cc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000357015810 465703240 /nfs/dbraw/zinc/70/32/40/465703240.db2.gz FCCUUUVWWHRRSQ-UHFFFAOYSA-N -2 0 335.381 2.432 20 0 EEADRL Cc1noc2ncc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3)cc12 ZINC000357155193 465817657 /nfs/dbraw/zinc/81/76/57/465817657.db2.gz IUIVNQUWFRMDKM-UHFFFAOYSA-N -2 0 333.325 2.030 20 0 EEADRL CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)c1 ZINC000361970571 466447542 /nfs/dbraw/zinc/44/75/42/466447542.db2.gz HZFBUECOIUODFM-UHFFFAOYSA-N -2 0 349.364 2.484 20 0 EEADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000350315170 466459532 /nfs/dbraw/zinc/45/95/32/466459532.db2.gz TZCBUPGSLUDPNG-UHFFFAOYSA-N -2 0 329.305 2.235 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)nc1C ZINC000314980637 466557533 /nfs/dbraw/zinc/55/75/33/466557533.db2.gz DXDJNSBWNFWYLD-UHFFFAOYSA-N -2 0 343.792 2.364 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000316650926 466573993 /nfs/dbraw/zinc/57/39/93/466573993.db2.gz ABVDYRSDPPSDIV-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)cc1C(=O)[O-] ZINC000324496446 466647674 /nfs/dbraw/zinc/64/76/74/466647674.db2.gz PTMSBOQNTRWFEE-UHFFFAOYSA-N -2 0 347.352 2.179 20 0 EEADRL COC(=O)c1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1 ZINC000325041193 466652354 /nfs/dbraw/zinc/65/23/54/466652354.db2.gz MHOZYWSWUREHPD-UHFFFAOYSA-N -2 0 349.364 2.281 20 0 EEADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2cccc3ccncc32)c1 ZINC000531781799 468075079 /nfs/dbraw/zinc/07/50/79/468075079.db2.gz YLOVAUDGCQPTTC-UHFFFAOYSA-N -2 0 344.348 2.439 20 0 EEADRL CCc1noc(C)c1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000754759857 577812248 /nfs/dbraw/zinc/81/22/48/577812248.db2.gz MVAGLMHHNMRZIC-UHFFFAOYSA-N -2 0 328.321 2.184 20 0 EEADRL CCOc1ccc(OC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cc1 ZINC000746106327 577922340 /nfs/dbraw/zinc/92/23/40/577922340.db2.gz ZEJZKALKZQCOKI-UHFFFAOYSA-N -2 0 341.323 2.362 20 0 EEADRL C[C@H]1C[C@H](CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CC(C)(C)C1 ZINC000736755796 578221788 /nfs/dbraw/zinc/22/17/88/578221788.db2.gz PXDCAOWKFXDPBA-NWDGAFQWSA-N -2 0 333.450 2.150 20 0 EEADRL CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000319706558 599737333 /nfs/dbraw/zinc/73/73/33/599737333.db2.gz YLYZERZKICOTNT-UHFFFAOYSA-N -2 0 338.341 2.045 20 0 EEADRL CCCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cn1 ZINC000829585443 600686908 /nfs/dbraw/zinc/68/69/08/600686908.db2.gz XAUPPXJSVUMKMC-UHFFFAOYSA-N -2 0 345.327 2.070 20 0 EEADRL O=C([O-])[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccccc2Cl)C1 ZINC000833184566 601236108 /nfs/dbraw/zinc/23/61/08/601236108.db2.gz SHMGCWDRWGGKPX-NXEZZACHSA-N -2 0 345.804 2.036 20 0 EEADRL O=C([O-])CC1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])CC1 ZINC000833214810 601757149 /nfs/dbraw/zinc/75/71/49/601757149.db2.gz RPBBYAIOMODIHO-UHFFFAOYSA-N -2 0 347.346 2.044 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1C(=O)[O-] ZINC000832956665 601848022 /nfs/dbraw/zinc/84/80/22/601848022.db2.gz PHVCJPDZFIWWSO-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL O=C([O-])c1coc(C([O-])=CS(=O)(=O)c2ccccc2Cl)c1 ZINC000833340002 604370885 /nfs/dbraw/zinc/37/08/85/604370885.db2.gz QOWGLXKYTNMWJH-UHFFFAOYSA-N -2 0 328.729 2.288 20 0 EEADRL COC[C@@](C)(NC(=O)c1cc(Cl)c2ccccc2c1[O-])C(=O)[O-] ZINC000833721842 604731081 /nfs/dbraw/zinc/73/10/81/604731081.db2.gz UJJCFATVHOISLG-MRXNPFEDSA-N -2 0 337.759 2.418 20 0 EEADRL CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)c1 ZINC000828580590 604775460 /nfs/dbraw/zinc/77/54/60/604775460.db2.gz OWXQFKGJKGUOQQ-UHFFFAOYSA-N -2 0 334.353 2.173 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(SC(F)F)nc2)c[nH]1 ZINC000833306005 604801206 /nfs/dbraw/zinc/80/12/06/604801206.db2.gz GJJKVWWNDDSHPL-UHFFFAOYSA-N -2 0 349.340 2.223 20 0 EEADRL CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC000863961822 1197937351 /nfs/dbraw/zinc/93/73/51/1197937351.db2.gz BLPSKENMUSQKEB-BLLLJJGKSA-N -2 0 339.413 2.085 20 0 EEADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2)cc1 ZINC000192702800 1210584605 /nfs/dbraw/zinc/58/46/05/1210584605.db2.gz WNWRQILQZQHTNW-UHFFFAOYSA-N -2 0 326.761 2.163 20 0 EEADRL O=C([O-])/C=C\c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000206122833 1213621137 /nfs/dbraw/zinc/62/11/37/1213621137.db2.gz LLHLBRWBRCFWEK-KMKOMSMNSA-N -2 0 347.348 2.283 20 0 EEADRL O=C(Nc1cccc2c1COC2)c1ccccc1OP(=O)([O-])[O-] ZINC001189889267 1280564928 /nfs/dbraw/zinc/56/49/28/1280564928.db2.gz QVKKMMJWKGMBTC-UHFFFAOYSA-N -2 0 335.252 2.441 20 0 EEADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccc3ocnc32)cc1 ZINC001192713349 1282147856 /nfs/dbraw/zinc/14/78/56/1282147856.db2.gz YLIWZIKBUIKAEK-UHFFFAOYSA-N -2 0 348.336 2.092 20 0 EEADRL COc1ccc(C(C)=O)c([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001198782746 1285329728 /nfs/dbraw/zinc/32/97/28/1285329728.db2.gz OENBHGMFLBSLSL-UHFFFAOYSA-N -2 0 349.364 2.397 20 0 EEADRL Nc1cc(S(=O)(=O)Nc2ccc(Cl)c([O-])c2F)ccc1O ZINC001214801313 1296595600 /nfs/dbraw/zinc/59/56/00/1296595600.db2.gz JCQQAKQHFVTJDJ-UHFFFAOYSA-N -2 0 332.740 2.273 20 0 EEADRL CC(C)n1cnc2cnc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)nc21 ZINC001242160597 1309622587 /nfs/dbraw/zinc/62/25/87/1309622587.db2.gz LZYXNIUOYQLPFX-UHFFFAOYSA-N -2 0 326.312 2.471 20 0 EEADRL O=C1[N-]S(=O)(=O)c2cc(-c3ccc(Cl)c([O-])c3F)ccc21 ZINC001244633111 1309963604 /nfs/dbraw/zinc/96/36/04/1309963604.db2.gz ZGISSBGRHBFOTE-UHFFFAOYSA-N -2 0 327.720 2.284 20 0 EEADRL O=S(=O)([N-]c1cnns1)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260869142 1319993024 /nfs/dbraw/zinc/99/30/24/1319993024.db2.gz CJCIFTXQAAENFD-UHFFFAOYSA-N -2 0 326.186 2.351 20 0 EEADRL O=C(NCCOP(=O)([O-])[O-])c1ccc2oc3ccccc3c2c1 ZINC001153947293 1316922110 /nfs/dbraw/zinc/92/21/10/1316922110.db2.gz QESOODSSNCPETI-UHFFFAOYSA-N -2 0 335.252 2.425 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc3ocnc3c2)c1 ZINC001260214873 1319834409 /nfs/dbraw/zinc/83/44/09/1319834409.db2.gz QIWHSFLNVHPZCY-UHFFFAOYSA-N -2 0 336.300 2.466 20 0 EEADRL C[C@@H](O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1 ZINC001260215003 1319834726 /nfs/dbraw/zinc/83/47/26/1319834726.db2.gz DVTRMWHYOUJTPU-SECBINFHSA-N -2 0 339.344 2.378 20 0 EEADRL Cn1c2ccccc2nc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260221006 1319835769 /nfs/dbraw/zinc/83/57/69/1319835769.db2.gz BYEQCGURBGDXDY-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL O=C([O-])c1ccc(Cl)c(C(=O)NCc2cc(=O)[nH]c(C3CC3)n2)c1 ZINC001602355925 1350502657 /nfs/dbraw/zinc/50/26/57/1350502657.db2.gz HOUKCHXFFIAPGK-UHFFFAOYSA-N -2 0 347.758 2.341 20 0 EEADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccnn1C1CC1 ZINC001602362866 1350503983 /nfs/dbraw/zinc/50/39/83/1350503983.db2.gz ITABIXYWIADTMW-UHFFFAOYSA-N -2 0 341.776 2.370 20 0 EEADRL O=C([O-])c1cncc(S(=O)(=O)[N-]c2nccc3sccc32)c1 ZINC001602543468 1350542738 /nfs/dbraw/zinc/54/27/38/1350542738.db2.gz KMHMIXGAGWLWID-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL CCCCc1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)nc1 ZINC001605293793 1351127826 /nfs/dbraw/zinc/12/78/26/1351127826.db2.gz ZTPLTYMEFDWPRY-UHFFFAOYSA-N -2 0 335.385 2.318 20 0 EEADRL CCc1nc([N-]S(=O)(=O)c2ccccc2F)sc1C(=O)[O-] ZINC001605856484 1351237840 /nfs/dbraw/zinc/23/78/40/1351237840.db2.gz SDKGEGCCHBHQOX-UHFFFAOYSA-N -2 0 330.362 2.344 20 0 EEADRL Cc1cc2ccc(C)nc2c(OS(=O)(=O)c2cc(C(=O)[O-])n[n-]2)c1 ZINC001607702395 1351542782 /nfs/dbraw/zinc/54/27/82/1351542782.db2.gz OFEQTSFPPNOMHN-UHFFFAOYSA-N -2 0 347.352 2.041 20 0 EEADRL O=C([O-])c1cc(Br)ccc1NC(=O)C1CC(C(=O)[O-])C1 ZINC001608833677 1351774415 /nfs/dbraw/zinc/77/44/15/1351774415.db2.gz BHKXOMKIWYWYSE-UHFFFAOYSA-N -2 0 342.145 2.197 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CC2(Cl)Cl)oc1Cl ZINC001608860820 1351780274 /nfs/dbraw/zinc/78/02/74/1351780274.db2.gz AYZSOEXPUDTODT-BYPYZUCNSA-N -2 0 348.591 2.103 20 0 EEADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)CCC2CCCCC2)o1 ZINC001608875274 1351783959 /nfs/dbraw/zinc/78/39/59/1351783959.db2.gz BFVDSZBAASMBPY-UHFFFAOYSA-N -2 0 329.374 2.008 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)/C=C/c2cccc(Cl)c2)nn1 ZINC001608905426 1351791004 /nfs/dbraw/zinc/79/10/04/1351791004.db2.gz ZRQAVSYEXGCFBX-VOTSOKGWSA-N -2 0 339.760 2.241 20 0 EEADRL O=C([O-])c1nscc1[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC001609004515 1351812539 /nfs/dbraw/zinc/81/25/39/1351812539.db2.gz LDPDAZVVZBTMAL-UHFFFAOYSA-N -2 0 338.366 2.017 20 0 EEADRL CC(C)C[C@H](CNC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)C(=O)[O-] ZINC001609692821 1352060999 /nfs/dbraw/zinc/06/09/99/1352060999.db2.gz SMDJDQDWFYGKJL-OLZOCXBDSA-N -2 0 342.436 2.266 20 0 EEADRL C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2C(=O)[O-])C1 ZINC001609844731 1352099305 /nfs/dbraw/zinc/09/93/05/1352099305.db2.gz KYVGSZNOJMWLJD-BDAKNGLRSA-N -2 0 345.804 2.279 20 0 EEADRL Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001610479041 1352229219 /nfs/dbraw/zinc/22/92/19/1352229219.db2.gz JRXVFANQFKEQOU-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL Cc1occc1-c1nnc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)o1 ZINC001610587979 1352249846 /nfs/dbraw/zinc/24/98/46/1352249846.db2.gz FPSCFRISQJKPSB-UHFFFAOYSA-N -2 0 349.324 2.137 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cn1 ZINC001610835617 1352282667 /nfs/dbraw/zinc/28/26/67/1352282667.db2.gz AONFEIHOJNSMTA-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]c2n[nH]c3ccc(F)cc32)c1 ZINC001610847271 1352284931 /nfs/dbraw/zinc/28/49/31/1352284931.db2.gz JHRNCJHATCVJTE-UHFFFAOYSA-N -2 0 349.343 2.342 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cc(C3CC3)nn2C)ccc1C(=O)[O-] ZINC001600301644 1350015344 /nfs/dbraw/zinc/01/53/44/1350015344.db2.gz NKAKEACILFLPNM-UHFFFAOYSA-N -2 0 335.385 2.105 20 0 EEADRL Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc3oc(=O)nc-3[n-]2)cc1 ZINC001600372172 1350032432 /nfs/dbraw/zinc/03/24/32/1350032432.db2.gz PNOWNVIKZACLME-LBPRGKRZSA-N -2 0 341.323 2.183 20 0 EEADRL Cc1ccc(NS(=O)(=O)CC2(C(=O)[O-])CCCC2)c(C(=O)[O-])c1 ZINC001600463682 1350057965 /nfs/dbraw/zinc/05/79/65/1350057965.db2.gz GTLDJZXKMWGLMK-UHFFFAOYSA-N -2 0 341.385 2.080 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2cc3ccccn3n2)c1C(=O)[O-] ZINC001600550606 1350079766 /nfs/dbraw/zinc/07/97/66/1350079766.db2.gz XBVVNWDXMFQOHV-UHFFFAOYSA-N -2 0 331.353 2.142 20 0 EEADRL Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])c(F)c2)s1 ZINC001600692560 1350117148 /nfs/dbraw/zinc/11/71/48/1350117148.db2.gz JXLBTUHZMPVQCA-UHFFFAOYSA-N -2 0 344.389 2.327 20 0 EEADRL Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001600747199 1350127264 /nfs/dbraw/zinc/12/72/64/1350127264.db2.gz OOQPUXAUARIQDH-UHFFFAOYSA-N -2 0 337.357 2.063 20 0 EEADRL Cc1nn(C)c([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1C(=O)[O-] ZINC001600774391 1350133369 /nfs/dbraw/zinc/13/33/69/1350133369.db2.gz MOUSPDVKEAJSMQ-UHFFFAOYSA-N -2 0 335.385 2.105 20 0 EEADRL O=C([O-])/C=C/c1ccc(C(=O)[N-]S(=O)(=O)CCC2CCCC2)o1 ZINC001601878009 1350388150 /nfs/dbraw/zinc/38/81/50/1350388150.db2.gz SDNQPDLDSJFTBN-SOFGYWHQSA-N -2 0 341.385 2.017 20 0 EEADRL O=C([O-])CCCC(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC001601979403 1350410236 /nfs/dbraw/zinc/41/02/36/1350410236.db2.gz MSHGEACDBBGMPD-UHFFFAOYSA-N -2 0 334.372 2.043 20 0 EEADRL O=C([O-])CCCON=C([O-])Nc1nnc(-c2ccsc2)s1 ZINC001601994267 1350413380 /nfs/dbraw/zinc/41/33/80/1350413380.db2.gz ABXYATHYSQDWCE-UHFFFAOYSA-N -2 0 328.375 2.185 20 0 EEADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cnn(C3CCC3)c2)cc1 ZINC001602128522 1350445739 /nfs/dbraw/zinc/44/57/39/1350445739.db2.gz LXGRPGCFFUDJPG-UHFFFAOYSA-N -2 0 335.385 2.036 20 0 EEADRL O=C([O-])c1ccc(C([O-])=CS(=O)(=O)c2ccc(Cl)s2)o1 ZINC001602316189 1350492113 /nfs/dbraw/zinc/49/21/13/1350492113.db2.gz OSMICKBSGVRYNK-UHFFFAOYSA-N -2 0 334.758 2.349 20 0 EEADRL O=C([O-])c1ccc2c(c1)CN(C(=O)NC1CCC(C(=O)[O-])CC1)CC2 ZINC001602420298 1350515366 /nfs/dbraw/zinc/51/53/66/1350515366.db2.gz GQDXWCSQPZAXAZ-UHFFFAOYSA-N -2 0 346.383 2.096 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)c2cccc(Cl)c2)c1 ZINC001602451816 1350522480 /nfs/dbraw/zinc/52/24/80/1350522480.db2.gz OAXMHEHXSBZHRZ-UHFFFAOYSA-N -2 0 339.756 2.157 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)NC2(c3ccccc3F)CC2)c1 ZINC001602556251 1350545549 /nfs/dbraw/zinc/54/55/49/1350545549.db2.gz FAAGZBLWEFZEIB-UHFFFAOYSA-N -2 0 325.317 2.085 20 0 EEADRL CC(C)(C(=O)[O-])C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001603248066 1350670771 /nfs/dbraw/zinc/67/07/71/1350670771.db2.gz RZGPLFWWLDCGRO-UHFFFAOYSA-N -2 0 325.386 2.444 20 0 EEADRL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cnc(C(=O)[O-])cn2)cc1 ZINC001603544112 1350717828 /nfs/dbraw/zinc/71/78/28/1350717828.db2.gz XDDKOISWEGQRIV-UHFFFAOYSA-N -2 0 335.385 2.273 20 0 EEADRL C[C@@H]1CN(c2cc(C(F)(F)F)c(C(=O)[O-])cn2)CC[C@H]1C(=O)[O-] ZINC001604807858 1351010732 /nfs/dbraw/zinc/01/07/32/1351010732.db2.gz GIJLWLQPRWLKQR-HTQZYQBOSA-N -2 0 332.278 2.346 20 0 EEADRL CCC(CC)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001605011028 1351053704 /nfs/dbraw/zinc/05/37/04/1351053704.db2.gz CTDPJABJWDDUIS-UHFFFAOYSA-N -2 0 333.793 2.279 20 0 EEADRL CCCc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)n(C)n1 ZINC001605373398 1351147580 /nfs/dbraw/zinc/14/75/80/1351147580.db2.gz UMWMSPZEYJIEMX-UHFFFAOYSA-N -2 0 337.401 2.180 20 0 EEADRL CCCc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)s1 ZINC001605377884 1351148939 /nfs/dbraw/zinc/14/89/39/1351148939.db2.gz AAMAGOVHXUKKPB-UHFFFAOYSA-N -2 0 330.387 2.496 20 0 EEADRL CCOC(=O)CCc1c(C)[n-]n(-c2ccc(C)c(C(=O)[O-])c2)c1=O ZINC001605537612 1351184501 /nfs/dbraw/zinc/18/45/01/1351184501.db2.gz HBVWPNOCAMAUGO-CYBMUJFWSA-N -2 0 332.356 2.375 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c[nH]nc2c1 ZINC001605884827 1351245893 /nfs/dbraw/zinc/24/58/93/1351245893.db2.gz BOLCTCOCDIOYRS-UHFFFAOYSA-N -2 0 335.341 2.217 20 0 EEADRL O=C(NCc1ccc(-c2nn[nH]n2)c(Cl)c1)c1ccc(F)cc1[O-] ZINC001606817855 1351360331 /nfs/dbraw/zinc/36/03/31/1351360331.db2.gz SZETWZUUVQUEMZ-UHFFFAOYSA-N -2 0 347.737 2.295 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C2CC2)nn1 ZINC001607748829 1351551442 /nfs/dbraw/zinc/55/14/42/1351551442.db2.gz NCCJMGPVWIQFRN-UHFFFAOYSA-N -2 0 333.369 2.161 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c(O)c1 ZINC001607810743 1351563695 /nfs/dbraw/zinc/56/36/95/1351563695.db2.gz MACMLGASVCXJEZ-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL Cc1ccc(NS(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1C(=O)[O-] ZINC001607809625 1351563779 /nfs/dbraw/zinc/56/37/79/1351563779.db2.gz XSXJFFGFZTZXGN-AAEUAGOBSA-N -2 0 341.385 2.078 20 0 EEADRL Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])c1O ZINC001607858201 1351573249 /nfs/dbraw/zinc/57/32/49/1351573249.db2.gz LHJFJQICEMNULJ-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL Cc1nc(C)c([N-]S(=O)(=O)C[C@H](C(=O)[O-])c2ccccc2)s1 ZINC001607952061 1351591600 /nfs/dbraw/zinc/59/16/00/1351591600.db2.gz IXNGFNSVHZPJSW-LBPRGKRZSA-N -2 0 340.426 2.370 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc2cc(F)ccc2[nH]1 ZINC001608042478 1351612536 /nfs/dbraw/zinc/61/25/36/1351612536.db2.gz VDHQNSVINYHCHY-UHFFFAOYSA-N -2 0 339.304 2.102 20 0 EEADRL O=C(Nc1c(=O)[nH][n-]c1-c1ccccc1)c1ccc2oc(=O)nc-2[n-]1 ZINC001624926887 1352435067 /nfs/dbraw/zinc/43/50/67/1352435067.db2.gz YRDCUQJLINSMJO-UHFFFAOYSA-N -2 0 337.295 2.276 20 0 EEADRL O=[P@@]([O-])(O)CCNC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC001201169018 1368787905 /nfs/dbraw/zinc/78/79/05/1368787905.db2.gz VUGXJQIUWGLHGL-UHFFFAOYSA-N -2 0 329.145 2.458 20 0 EEADRL CN(Cc1n[nH]c(=O)[n-]1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001606175902 1404772272 /nfs/dbraw/zinc/77/22/72/1404772272.db2.gz YBCKVHMXCAIESP-SNVBAGLBSA-N -2 0 331.159 2.075 20 0 EEADRL C[C@H](CCC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1ccccc1 ZINC000910184687 786516326 /nfs/dbraw/zinc/51/63/26/786516326.db2.gz RNNUKVCLFSRMFR-SNPRPXQTSA-N -2 0 333.384 2.347 20 0 EEADRL C/C(=C\c1ccc(C)cc1)C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910185757 786517818 /nfs/dbraw/zinc/51/78/18/786517818.db2.gz LBUAGPXZSZKNPI-NZETUCKYSA-N -2 0 331.368 2.175 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1csc2c1CCCC2 ZINC000910186685 786518396 /nfs/dbraw/zinc/51/83/96/786518396.db2.gz VAQKQGYCFPYAOM-JOYOIKCWSA-N -2 0 337.397 2.017 20 0 EEADRL CCc1ccc([C@H](C)C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1 ZINC000910187879 786520232 /nfs/dbraw/zinc/52/02/32/786520232.db2.gz HGUOMIBVAKLJAC-CQDKDKBSSA-N -2 0 333.384 2.129 20 0 EEADRL Cc1cc(Cl)cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1 ZINC000910190734 786522702 /nfs/dbraw/zinc/52/27/02/786522702.db2.gz CEYRLPKWDJNLFO-CABZTGNLSA-N -2 0 325.748 2.038 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCc2cc(Cl)cs2)C1 ZINC000910191179 786522759 /nfs/dbraw/zinc/52/27/59/786522759.db2.gz YBRAZCYJCAIMNJ-KCJUWKMLSA-N -2 0 345.804 2.111 20 0 EEADRL Cc1ccc2c(c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1)CNC2=O ZINC001176238758 798390405 /nfs/dbraw/zinc/39/04/05/798390405.db2.gz UGSKCYGIMDKZAB-UHFFFAOYSA-N -2 0 326.308 2.378 20 0 EEADRL CNC(=O)Cc1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001176241644 798392700 /nfs/dbraw/zinc/39/27/00/798392700.db2.gz PRCDBHIYTCDKCS-UHFFFAOYSA-N -2 0 328.324 2.115 20 0 EEADRL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-]Cc1ccc(OC(F)F)cc1 ZINC001180176384 800285944 /nfs/dbraw/zinc/28/59/44/800285944.db2.gz ZAWIDPCJCJPSDA-UHFFFAOYSA-N -2 0 345.195 2.259 20 0 EEADRL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-][C@H](c1cncc(F)c1)C1CC1 ZINC001180176633 800287065 /nfs/dbraw/zinc/28/70/65/800287065.db2.gz JIKVBOSXCQWFFA-VIFPVBQESA-N -2 0 338.232 2.143 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cnc(Cl)nc2C)cc1C(=O)[O-] ZINC001184664720 802124453 /nfs/dbraw/zinc/12/44/53/802124453.db2.gz SBANHIYOTCQWDP-UHFFFAOYSA-N -2 0 341.776 2.246 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC001552982148 1125465530 /nfs/dbraw/zinc/46/55/30/1125465530.db2.gz FEFYIAFYAZBKRI-QKPAOTATSA-N -2 0 345.395 2.347 20 0 EEADRL O=C([O-])CC1(NC(=O)c2cc(Br)cc(F)c2[O-])CCC1 ZINC001574675639 962561472 /nfs/dbraw/zinc/56/14/72/962561472.db2.gz QSVQCAIXBNVRBT-UHFFFAOYSA-N -2 0 346.152 2.421 20 0 EEADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@H](CC(C)C)C(=O)[O-])n1 ZINC000185337656 967681343 /nfs/dbraw/zinc/68/13/43/967681343.db2.gz MCGVRZCYVDTAAS-GFCCVEGCSA-N -2 0 349.362 2.255 20 0 EEADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1nc(C)c(C)s1 ZINC000318820207 970477072 /nfs/dbraw/zinc/47/70/72/970477072.db2.gz ZNYARGAYZYGPPN-UHFFFAOYSA-N -2 0 342.398 2.268 20 0 EEADRL CC[C@H](C(=O)[O-])N(C)C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001603498631 973461191 /nfs/dbraw/zinc/46/11/91/973461191.db2.gz QXLRPSFQKOJTMH-LLVKDONJSA-N -2 0 337.763 2.167 20 0 EEADRL CCN(C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])[C@H](C)C(=O)[O-] ZINC001603715605 974138460 /nfs/dbraw/zinc/13/84/60/974138460.db2.gz OVZKULDMOZPEBU-SNVBAGLBSA-N -2 0 331.324 2.400 20 0 EEADRL O=C([O-])c1ccccc1CC(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC001605720353 974154207 /nfs/dbraw/zinc/15/42/07/974154207.db2.gz SALHROPIZDRRKY-UHFFFAOYSA-N -2 0 338.323 2.057 20 0 EEADRL C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])c1ccco1 ZINC001592258961 977498462 /nfs/dbraw/zinc/49/84/62/977498462.db2.gz MFVVCFOTENYNFB-QMMMGPOBSA-N -2 0 343.382 2.038 20 0 EEADRL C[C@H](CN(Cc1ccccc1)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)C(=O)[O-] ZINC001592605476 978551927 /nfs/dbraw/zinc/55/19/27/978551927.db2.gz LCWYTZOJFZEUQM-YUELXQCFSA-N -2 0 333.384 2.237 20 0 EEADRL CCC(CC)(CNC(=O)Nc1nc(CCC(=O)[O-])cs1)C(=O)[O-] ZINC001595072129 979345151 /nfs/dbraw/zinc/34/51/51/979345151.db2.gz WZGOEUGURYNNHS-UHFFFAOYSA-N -2 0 343.405 2.173 20 0 EEADRL C[C@H](Cc1ccc(NC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1)C(=O)[O-] ZINC001592861546 979700239 /nfs/dbraw/zinc/70/02/39/979700239.db2.gz UARQBVABSGCNCF-YPMHNXCESA-N -2 0 334.372 2.278 20 0 EEADRL CC[C@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001595436154 981067934 /nfs/dbraw/zinc/06/79/34/981067934.db2.gz PGHNHBACUHOODP-IUCAKERBSA-N -2 0 331.415 2.078 20 0 EEADRL CCCC(C)(C)CC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001595539274 981398234 /nfs/dbraw/zinc/39/82/34/981398234.db2.gz ZVTMIKURMFUTAK-UHFFFAOYSA-N -2 0 331.390 2.308 20 0 EEADRL CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001595566545 981461963 /nfs/dbraw/zinc/46/19/63/981461963.db2.gz CVPRQOCGBJEYNH-QMMMGPOBSA-N -2 0 333.793 2.279 20 0 EEADRL CC[C@@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001594882847 982251258 /nfs/dbraw/zinc/25/12/58/982251258.db2.gz ZTVYLNCPEHAKHY-HTQZYQBOSA-N -2 0 349.355 2.150 20 0 EEADRL C[C@@]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)(C1CC1)C(F)(F)F ZINC001593326303 994874430 /nfs/dbraw/zinc/87/44/30/994874430.db2.gz JGDQYNXJUWSBIU-SNVBAGLBSA-N -2 0 343.348 2.456 20 0 EEADRL C[C@@]1(C(=O)[O-])CCCN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])C1 ZINC001593775761 996472469 /nfs/dbraw/zinc/47/24/69/996472469.db2.gz AGSPADAYRUGDLS-QGZVFWFLSA-N -2 0 347.346 2.044 20 0 EEADRL COc1cc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)ccc1C(=O)[O-] ZINC001599436075 997848927 /nfs/dbraw/zinc/84/89/27/997848927.db2.gz UIONHQKQBSPBOI-JTQLQIEISA-N -2 0 336.344 2.112 20 0 EEADRL COC(=O)c1cc(NC(=O)c2cccc(F)c2[O-])cc(C(=O)[O-])c1 ZINC001598948132 998093740 /nfs/dbraw/zinc/09/37/40/998093740.db2.gz OEGJGZLCWCTMOW-UHFFFAOYSA-N -2 0 333.271 2.268 20 0 EEADRL C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001594162571 998608340 /nfs/dbraw/zinc/60/83/40/998608340.db2.gz QXOWVUULRTZOGS-SKDRFNHKSA-N -2 0 349.774 2.167 20 0 EEADRL C[C@@H]1CC[C@H](C(=O)[O-])CN1c1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001594297535 999147541 /nfs/dbraw/zinc/14/75/41/999147541.db2.gz XROMBYKBANRSNC-SFYZADRCSA-N -2 0 332.278 2.488 20 0 EEADRL C[C@@H]1CCC[C@]1(C)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001594356864 999349006 /nfs/dbraw/zinc/34/90/06/999349006.db2.gz FQXZKVPMNYHHBM-BMIGLBTASA-N -2 0 325.386 2.016 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2cc(F)ccc2C)cc1C(=O)[O-] ZINC000315704790 539749834 /nfs/dbraw/zinc/74/98/34/539749834.db2.gz WCIGVDQVWIZHNP-UHFFFAOYSA-N -2 0 326.349 2.455 20 0 EEADRL Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000037641997 213161794 /nfs/dbraw/zinc/16/17/94/213161794.db2.gz BPXPQCVFYMNSPM-UHFFFAOYSA-N -2 0 330.749 2.444 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)cn1 ZINC000342461130 161067162 /nfs/dbraw/zinc/06/71/62/161067162.db2.gz WMYZZBRDXCUOFX-NSHDSACASA-N -2 0 337.401 2.282 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c(O)c1 ZINC000356053935 163316504 /nfs/dbraw/zinc/31/65/04/163316504.db2.gz XWXOVOGMJMFBIH-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2O)cc1C(=O)[O-] ZINC000433830987 314798180 /nfs/dbraw/zinc/79/81/80/314798180.db2.gz BEVMNXJUBXINPT-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL CC(C)Cc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])cc1 ZINC000536686888 318008312 /nfs/dbraw/zinc/00/83/12/318008312.db2.gz UNCTZRPHEAXPAW-UHFFFAOYSA-N -2 0 337.401 2.118 20 0 EEADRL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000566311997 319273528 /nfs/dbraw/zinc/27/35/28/319273528.db2.gz JKACGARJSONIST-VIFPVBQESA-N -2 0 341.763 2.396 20 0 EEADRL CC(C)n1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cn1 ZINC000339074221 465065872 /nfs/dbraw/zinc/06/58/72/465065872.db2.gz QVYMQIBNWXVHAR-UHFFFAOYSA-N -2 0 327.337 2.102 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000339075471 465068486 /nfs/dbraw/zinc/06/84/86/465068486.db2.gz XPWJPPLTFFQKGZ-UHFFFAOYSA-N -2 0 339.300 2.023 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c(O)c1 ZINC000357175424 465832011 /nfs/dbraw/zinc/83/20/11/465832011.db2.gz MHQLLCPLKLROGS-UHFFFAOYSA-N -2 0 349.364 2.216 20 0 EEADRL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc(F)cc1O ZINC000340333390 465998712 /nfs/dbraw/zinc/99/87/12/465998712.db2.gz ZJOXNVGWSORYFH-UHFFFAOYSA-N -2 0 330.319 2.078 20 0 EEADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2c[nH]c(C)n2)cc1)C(=O)[O-] ZINC000361777300 466280793 /nfs/dbraw/zinc/28/07/93/466280793.db2.gz SAWITQGOBCDILV-LBPRGKRZSA-N -2 0 337.401 2.172 20 0 EEADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2c[nH]c(C)n2)cc1)C(=O)[O-] ZINC000361777299 466281201 /nfs/dbraw/zinc/28/12/01/466281201.db2.gz SAWITQGOBCDILV-GFCCVEGCSA-N -2 0 337.401 2.172 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])cn1 ZINC000350037108 466360135 /nfs/dbraw/zinc/36/01/35/466360135.db2.gz RPJCMOQQQBBOSE-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000316629497 466573385 /nfs/dbraw/zinc/57/33/85/466573385.db2.gz CZMHGLDKROXKQN-UHFFFAOYSA-N -2 0 342.354 2.464 20 0 EEADRL CC(C)(C)c1nc(=NCCc2ccc(OCC(=O)[O-])cc2)s[n-]1 ZINC000563213259 469200847 /nfs/dbraw/zinc/20/08/47/469200847.db2.gz BUCKFNXPVTXBCJ-UHFFFAOYSA-N -2 0 335.429 2.376 20 0 EEADRL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)CC1 ZINC000650427386 470877055 /nfs/dbraw/zinc/87/70/55/470877055.db2.gz HWFCCAVOCUUJDH-LURJTMIESA-N -2 0 339.747 2.150 20 0 EEADRL O=C([O-])C[C@@H]1CCCCN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000653320439 471582470 /nfs/dbraw/zinc/58/24/70/471582470.db2.gz NDQRWAUUTVEDLI-NSHDSACASA-N -2 0 347.346 2.186 20 0 EEADRL C[C@@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])[C@H]1C(=O)[O-] ZINC000663056916 472343007 /nfs/dbraw/zinc/34/30/07/472343007.db2.gz FAXPETWQFKNOQA-MEBBXXQBSA-N -2 0 347.346 2.042 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C)c1C(F)F ZINC000677552430 486454917 /nfs/dbraw/zinc/45/49/17/486454917.db2.gz RLAJVVRAHCYRMO-UHFFFAOYSA-N -2 0 345.327 2.165 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2)c(C(=O)[O-])c1 ZINC000758162042 577617306 /nfs/dbraw/zinc/61/73/06/577617306.db2.gz FIHOAYSFTKTZAH-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)n1 ZINC000738736452 578025372 /nfs/dbraw/zinc/02/53/72/578025372.db2.gz MOJQTPNQKIJXFB-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL O=C([O-])COc1cccc(CNC(=O)c2c([O-])cc(F)cc2F)c1 ZINC000739834193 578069370 /nfs/dbraw/zinc/06/93/70/578069370.db2.gz HLCTUXHGGUJUML-UHFFFAOYSA-N -2 0 337.278 2.064 20 0 EEADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)NCCCC(=O)[O-])n2)c1 ZINC000736521046 578208769 /nfs/dbraw/zinc/20/87/69/578208769.db2.gz ITNCOAVPOYVUTI-UHFFFAOYSA-N -2 0 331.372 2.296 20 0 EEADRL O=C([O-])CCc1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)cc1 ZINC000325431015 599852512 /nfs/dbraw/zinc/85/25/12/599852512.db2.gz ZPKRHULNIQBZNT-UHFFFAOYSA-N -2 0 345.380 2.381 20 0 EEADRL COc1cc(C(=O)[O-])cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1OC ZINC000831892773 600669598 /nfs/dbraw/zinc/66/95/98/600669598.db2.gz WFFCNCYDMVOGDO-GHMZBOCLSA-N -2 0 349.339 2.008 20 0 EEADRL CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])cc1 ZINC000826669647 600983621 /nfs/dbraw/zinc/98/36/21/600983621.db2.gz QJBNOCMPKHGFFX-UHFFFAOYSA-N -2 0 348.380 2.419 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2n[nH]c3ccccc32)cc1C(=O)[O-] ZINC000832956460 601201264 /nfs/dbraw/zinc/20/12/64/601201264.db2.gz CDMNHQAKOHNVGR-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2n[nH]c3cccc(F)c32)cs1 ZINC000833306150 601201287 /nfs/dbraw/zinc/20/12/87/601201287.db2.gz HNLAUCZEPKEUGP-UHFFFAOYSA-N -2 0 341.345 2.263 20 0 EEADRL CC(C)n1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cn1 ZINC000314983664 601328516 /nfs/dbraw/zinc/32/85/16/601328516.db2.gz HDLGTINRPKXZMA-UHFFFAOYSA-N -2 0 327.337 2.102 20 0 EEADRL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000832872248 601335511 /nfs/dbraw/zinc/33/55/11/601335511.db2.gz MPOOQSONJXQBSK-UHFFFAOYSA-N -3 0 339.325 2.094 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2ccc3c(c2)nc(C)n3C)cc1C(=O)[O-] ZINC000833030154 601340218 /nfs/dbraw/zinc/34/02/18/601340218.db2.gz SEMBCMQHSXZUAL-UHFFFAOYSA-N -2 0 349.368 2.282 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000035426782 601357414 /nfs/dbraw/zinc/35/74/14/601357414.db2.gz HXXOSLBHBUQHBQ-UHFFFAOYSA-N -2 0 328.327 2.155 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)o1 ZINC000833323324 601475961 /nfs/dbraw/zinc/47/59/61/601475961.db2.gz CHQWEHPQODWECQ-UHFFFAOYSA-N -2 0 347.295 2.423 20 0 EEADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@@H](C(=O)[O-])C3CC3)n2)c1 ZINC000827129804 601758331 /nfs/dbraw/zinc/75/83/31/601758331.db2.gz UEMCBDIGWUILGY-OAHLLOKOSA-N -2 0 343.383 2.294 20 0 EEADRL C[C@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000828221648 602384967 /nfs/dbraw/zinc/38/49/67/602384967.db2.gz URBDYRBTCVKEIO-AAEUAGOBSA-N -2 0 339.413 2.157 20 0 EEADRL CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)c1 ZINC000828580392 604790812 /nfs/dbraw/zinc/79/08/12/604790812.db2.gz IFBVUSUCKKFVAP-UHFFFAOYSA-N -2 0 336.369 2.117 20 0 EEADRL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1C ZINC000146059126 676255608 /nfs/dbraw/zinc/25/56/08/676255608.db2.gz KMDQWIYDUOVUAY-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL C[C@@H](O)c1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)ccc1F ZINC000795386972 1212052528 /nfs/dbraw/zinc/05/25/28/1212052528.db2.gz JFAIOHGODOUPDR-SSDOTTSWSA-N -2 0 345.373 2.440 20 0 EEADRL C[C@@H]1CCC[C@H](C)N1C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189913774 1280549782 /nfs/dbraw/zinc/54/97/82/1280549782.db2.gz AXTUYCXEUSUYRW-AOOOYVTPSA-N -2 0 341.385 2.035 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ncccc1N1CCCC1 ZINC001198746894 1285316463 /nfs/dbraw/zinc/31/64/63/1285316463.db2.gz OYUTXTSIUCHWOM-UHFFFAOYSA-N -2 0 347.396 2.181 20 0 EEADRL COc1c([N-]S(=O)(=O)c2ccc(C)c(N)c2)cccc1C(=O)[O-] ZINC001211036985 1295644791 /nfs/dbraw/zinc/64/47/91/1295644791.db2.gz PFKYSRWSAKTICQ-UHFFFAOYSA-N -2 0 336.369 2.085 20 0 EEADRL O=C(c1ccsc1)[C@@H](Oc1nc(=O)[n-]c(=O)[nH]1)c1ccsc1 ZINC001227569502 1301892775 /nfs/dbraw/zinc/89/27/75/1301892775.db2.gz CCDFNZDMKMXHNN-JTQLQIEISA-N -2 0 335.366 2.409 20 0 EEADRL CC[C@@H](C)n1c(=O)[nH]c(C)c(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1=O ZINC001242162926 1309623678 /nfs/dbraw/zinc/62/36/78/1309623678.db2.gz MYJGKTCFAQVOGA-MRVPVSSYSA-N -2 0 346.339 2.292 20 0 EEADRL CC(C)S(=O)(=O)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc1 ZINC001242163468 1309623685 /nfs/dbraw/zinc/62/36/85/1309623685.db2.gz ZBTZWLSNAYYFII-UHFFFAOYSA-N -2 0 349.364 2.327 20 0 EEADRL O=c1cc(Cc2ccccc2)[n-]n1-c1ccccc1S(=O)(=O)[O-] ZINC001245925439 1310189687 /nfs/dbraw/zinc/18/96/87/1310189687.db2.gz NRHCHJUYGZVYAP-UHFFFAOYSA-N -2 0 330.365 2.415 20 0 EEADRL O=C(Cc1ccccc1C(F)(F)F)NCCCC[P@](=O)([O-])O ZINC001142839228 1315766929 /nfs/dbraw/zinc/76/69/29/1315766929.db2.gz HPYJSTMKIHIPCK-UHFFFAOYSA-N -2 0 339.250 2.322 20 0 EEADRL Cn1cc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)c2n1 ZINC001260214973 1319834400 /nfs/dbraw/zinc/83/44/00/1319834400.db2.gz DCKORKZEIREJOS-UHFFFAOYSA-N -2 0 349.343 2.211 20 0 EEADRL Cn1cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)c2n1 ZINC001260227964 1319839814 /nfs/dbraw/zinc/83/98/14/1319839814.db2.gz PEOHXQAYFAWILZ-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL COc1ccc(O[C@@H](C)CNc2ccc(P(=O)([O-])[O-])cc2)cc1 ZINC001164052909 1321281603 /nfs/dbraw/zinc/28/16/03/1321281603.db2.gz IPBJWGPQUJCIFR-LBPRGKRZSA-N -2 0 337.312 2.378 20 0 EEADRL Nc1c([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)cccc1C(=O)[O-] ZINC001601209225 1350231657 /nfs/dbraw/zinc/23/16/57/1350231657.db2.gz NHUPJDGPAYFHNH-UHFFFAOYSA-N -2 0 349.343 2.388 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]C2CC3(CC3(F)F)C2)oc1Cl ZINC001602294775 1350487215 /nfs/dbraw/zinc/48/72/15/1350487215.db2.gz NKKWVAQWLUZMBK-UHFFFAOYSA-N -2 0 341.719 2.097 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])s1 ZINC001608913346 1351792353 /nfs/dbraw/zinc/79/23/53/1351792353.db2.gz FJQBYBLOFUZAHW-UHFFFAOYSA-N -3 0 345.329 2.084 20 0 EEADRL CC(=O)c1ccc([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)cc1C ZINC001609629628 1352045667 /nfs/dbraw/zinc/04/56/67/1352045667.db2.gz ZEMIBCQMSSEXGK-UHFFFAOYSA-N -2 0 348.380 2.400 20 0 EEADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc2sccc2c1 ZINC001609638682 1352047426 /nfs/dbraw/zinc/04/74/26/1352047426.db2.gz JOISHVSGRJMGQM-BDAKNGLRSA-N -2 0 341.410 2.070 20 0 EEADRL CN(C)c1cc(C(=O)[O-])ccc1NC(=O)NCCCCCC(=O)[O-] ZINC001610105996 1352163389 /nfs/dbraw/zinc/16/33/89/1352163389.db2.gz PRCSORRJDWZTNU-UHFFFAOYSA-N -2 0 337.376 2.217 20 0 EEADRL COc1cc(S(=O)(=O)[N-]c2ccc3c(n2)CCC3)ccc1C(=O)[O-] ZINC001610308053 1352203267 /nfs/dbraw/zinc/20/32/67/1352203267.db2.gz PBLADQMMWQKYQZ-UHFFFAOYSA-N -2 0 348.380 2.078 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2c(Cl)cnn2C)ccc(F)c1C(=O)[O-] ZINC001610427290 1352220998 /nfs/dbraw/zinc/22/09/98/1352220998.db2.gz RAGPNCNOZSXUQV-UHFFFAOYSA-N -2 0 347.755 2.020 20 0 EEADRL O=C([O-])CCCC(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001610767040 1352271169 /nfs/dbraw/zinc/27/11/69/1352271169.db2.gz VBRDRGVVFIFRLW-HNNXBMFYSA-N -2 0 343.379 2.454 20 0 EEADRL Cc1c(/C=C\c2ncc(C(=O)[O-])c(C(C)C)n2)c(C(=O)[O-])nn1C ZINC001600009182 1349954472 /nfs/dbraw/zinc/95/44/72/1349954472.db2.gz HYICEKSSKTYYOH-WAYWQWQTSA-N -2 0 330.344 2.209 20 0 EEADRL Cc1cc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)oc1C(=O)[O-] ZINC001600210292 1349994052 /nfs/dbraw/zinc/99/40/52/1349994052.db2.gz LSFHASKDBFQKBL-UHFFFAOYSA-N -2 0 349.286 2.182 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nn2)c(Cl)cc1F ZINC001600301051 1350014529 /nfs/dbraw/zinc/01/45/29/1350014529.db2.gz GNOUGOFAFOEGGT-UHFFFAOYSA-N -2 0 345.739 2.077 20 0 EEADRL Cc1ccc(C)c(NC(=O)N2C[C@@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)c1 ZINC001600389005 1350038006 /nfs/dbraw/zinc/03/80/06/1350038006.db2.gz USIZGQOMMIGSNA-XYEKJYRLSA-N -2 0 346.383 2.333 20 0 EEADRL Cc1oc(C(=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001600825717 1350145655 /nfs/dbraw/zinc/14/56/55/1350145655.db2.gz POQXXZZHWPUBDE-CHWSQXEVSA-N -2 0 329.308 2.329 20 0 EEADRL O=C([O-])c1cccc2[nH]c(NC(=O)c3cc(F)c([O-])c(F)c3)nc21 ZINC001601633618 1350324906 /nfs/dbraw/zinc/32/49/06/1350324906.db2.gz YQDUXUKSXHIDFQ-UHFFFAOYSA-N -2 0 333.250 2.497 20 0 EEADRL O=C([O-])C1(CS(=O)(=O)[N-][C@@H](C(F)F)C2CCCCC2)CCC1 ZINC001601712965 1350345519 /nfs/dbraw/zinc/34/55/19/1350345519.db2.gz NXWZPGGWVQPWSN-LLVKDONJSA-N -2 0 339.404 2.375 20 0 EEADRL O=C([O-])C1CC2(C1)CN(C(=O)[C@@H]1CCCC[C@@H]1C1CC1)C[C@H]2C(=O)[O-] ZINC001601778985 1350362353 /nfs/dbraw/zinc/36/23/53/1350362353.db2.gz FZIIGAKHPGQXJS-ZRCYASHVSA-N -2 0 349.427 2.227 20 0 EEADRL O=C([O-])C[C@H](O)CNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC001601910350 1350395197 /nfs/dbraw/zinc/39/51/97/1350395197.db2.gz KAMSBWXGZCCXPW-LBPRGKRZSA-N -2 0 349.770 2.278 20 0 EEADRL O=C([O-])CCCO[N-]C(=O)COc1ccc(Oc2ccccn2)cc1 ZINC001601995407 1350413281 /nfs/dbraw/zinc/41/32/81/1350413281.db2.gz RFFZSZFCIWTCKJ-UHFFFAOYSA-N -2 0 346.339 2.165 20 0 EEADRL O=C([O-])CCCO[N-]C(=O)C(=O)Nc1cccc(-c2cccs2)c1 ZINC001601995145 1350413388 /nfs/dbraw/zinc/41/33/88/1350413388.db2.gz PMIGZLMBRBFZTC-UHFFFAOYSA-N -2 0 348.380 2.266 20 0 EEADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccnn2C2CCC2)c1 ZINC001602140905 1350449075 /nfs/dbraw/zinc/44/90/75/1350449075.db2.gz STYFJPIOTQLUOK-UHFFFAOYSA-N -2 0 335.385 2.036 20 0 EEADRL CC(C)C[C@H](CNC(=O)Nc1cccc(OCC(=O)[O-])c1)C(=O)[O-] ZINC001603776016 1350764838 /nfs/dbraw/zinc/76/48/38/1350764838.db2.gz RDZHPKIZLRHWMD-LLVKDONJSA-N -2 0 338.360 2.018 20 0 EEADRL CC(C)c1ccc(NC(=O)C[C@@]2(C(=O)[O-])CCOC2)c(C(=O)[O-])c1 ZINC001604002120 1350826727 /nfs/dbraw/zinc/82/67/27/1350826727.db2.gz JCTPTMMLURJPCX-KRWDZBQOSA-N -2 0 335.356 2.328 20 0 EEADRL C[C@H](Cc1ccc(NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1)C(=O)[O-] ZINC001604225333 1350897691 /nfs/dbraw/zinc/89/76/91/1350897691.db2.gz UVTQSLVLLHECQZ-PIGZYNQJSA-N -2 0 334.372 2.278 20 0 EEADRL CC1(C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2C(=O)[O-])CCCC1 ZINC001604488596 1350948234 /nfs/dbraw/zinc/94/82/34/1350948234.db2.gz ZCZCJXWBJWPILR-UHFFFAOYSA-N -2 0 345.804 2.423 20 0 EEADRL C[C@H]1CCC[C@H]1CC(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001604724081 1350991756 /nfs/dbraw/zinc/99/17/56/1350991756.db2.gz HMMRFAJCTGEOCI-AAEUAGOBSA-N -2 0 339.413 2.157 20 0 EEADRL CN(C(=O)c1cccc(Br)c1[O-])C(C)(C)CC(=O)[O-] ZINC001605982152 1351261193 /nfs/dbraw/zinc/26/11/93/1351261193.db2.gz NSFWGXPYVPRSSG-UHFFFAOYSA-N -2 0 330.178 2.480 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c(O)c1 ZINC001607277420 1351463690 /nfs/dbraw/zinc/46/36/90/1351463690.db2.gz WTZXWQOMLAMTTQ-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL COc1ccnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001607350752 1351480689 /nfs/dbraw/zinc/48/06/89/1351480689.db2.gz OHUHKIGBBUHNRB-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL Cc1cc(C=O)c([O-])c(C(=O)Nc2cccc(OCC(=O)[O-])c2)c1 ZINC001607633293 1351529670 /nfs/dbraw/zinc/52/96/70/1351529670.db2.gz JWKLXXGRKJWPBU-UHFFFAOYSA-N -2 0 329.308 2.229 20 0 EEADRL Cc1ccc(C(=O)[O-])c(O)c1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001607736271 1351549195 /nfs/dbraw/zinc/54/91/95/1351549195.db2.gz XISXXGIGVSGWFB-UHFFFAOYSA-N -2 0 338.319 2.493 20 0 EEADRL Cc1cccc(C[C@H](CNC(=O)[C@]2(C(=O)[O-])CC=CCC2)C(=O)[O-])c1 ZINC001607848458 1351570736 /nfs/dbraw/zinc/57/07/36/1351570736.db2.gz CEDVQGZYCCSDQR-BEFAXECRSA-N -2 0 345.395 2.166 20 0 EEADRL O=C([O-])c1ncoc1COCC(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC001608350427 1351676938 /nfs/dbraw/zinc/67/69/38/1351676938.db2.gz ZSEACCRLSYGAJX-UHFFFAOYSA-N -2 0 344.682 2.026 20 0 EEADRL O=C(c1ccccc1OP(=O)([O-])[O-])N1CC[C@H](c2cccnc2)C1 ZINC001189876962 1368382392 /nfs/dbraw/zinc/38/23/92/1368382392.db2.gz AXQITQOQZRJJEO-ZDUSSCGKSA-N -2 0 348.295 2.183 20 0 EEADRL O=P([O-])([O-])OCCNc1ncnc2sc3c(c21)CCCC3 ZINC001168587081 790543893 /nfs/dbraw/zinc/54/38/93/790543893.db2.gz OCKFZRPVBGBITP-UHFFFAOYSA-N -2 0 329.318 2.091 20 0 EEADRL O=P([O-])([O-])OCCNc1c(Cl)cnc2c(Cl)nccc21 ZINC001168590231 790694909 /nfs/dbraw/zinc/69/49/09/790694909.db2.gz XAMDYBNZYUJZPI-UHFFFAOYSA-N -2 0 338.087 2.458 20 0 EEADRL O=C([O-])CC1CCN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])CC1 ZINC000908681308 785625134 /nfs/dbraw/zinc/62/51/34/785625134.db2.gz KGTHLLDVCMZQIO-UHFFFAOYSA-N -2 0 347.346 2.044 20 0 EEADRL Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])ccc1Cl ZINC000910185229 786517823 /nfs/dbraw/zinc/51/78/23/786517823.db2.gz VSXYYLGJOTXYNC-JQWIXIFHSA-N -2 0 325.748 2.038 20 0 EEADRL C[C@H](CC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-])C1CCCCC1 ZINC000910188204 786520435 /nfs/dbraw/zinc/52/04/35/786520435.db2.gz JOIWUJCRFHQRKT-XBFCOCLRSA-N -2 0 325.405 2.369 20 0 EEADRL CC(=O)c1ccsc1NC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148917500 792784056 /nfs/dbraw/zinc/78/40/56/792784056.db2.gz UPZZPDNOTNZRDQ-UHFFFAOYSA-N -2 0 341.366 2.155 20 0 EEADRL CCOC(=O)c1scnc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176236072 798389250 /nfs/dbraw/zinc/38/92/50/798389250.db2.gz ADSDVUUDURRYLG-UHFFFAOYSA-N -2 0 336.325 2.460 20 0 EEADRL CN1C(=O)Cc2cc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)ccc21 ZINC001176244196 798393236 /nfs/dbraw/zinc/39/32/36/798393236.db2.gz ICIOIRDGIJABTL-UHFFFAOYSA-N -2 0 326.308 2.346 20 0 EEADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1O ZINC000793404436 810324943 /nfs/dbraw/zinc/32/49/43/810324943.db2.gz JHSLCUNDVZYBLN-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000863951916 955923862 /nfs/dbraw/zinc/92/38/62/955923862.db2.gz XIPWVZXWLIOYTB-CQSZACIVSA-N -2 0 335.381 2.002 20 0 EEADRL O=C([O-])CCCCC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000863951246 955924833 /nfs/dbraw/zinc/92/48/33/955924833.db2.gz CETMRXXQYFEHJG-UHFFFAOYSA-N -2 0 335.381 2.290 20 0 EEADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)s1 ZINC000013301021 957013041 /nfs/dbraw/zinc/01/30/41/957013041.db2.gz OOSPWZYQQHNVQO-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL COc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cn2)ccc1Cl ZINC001594067447 958148513 /nfs/dbraw/zinc/14/85/13/958148513.db2.gz BIQSAEMWVAXNQW-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)NCCCCC(=O)[O-])n2)c1 ZINC001594366014 958489772 /nfs/dbraw/zinc/48/97/72/958489772.db2.gz GIULCTBRLGKSKA-UHFFFAOYSA-N -2 0 335.335 2.010 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cncc(F)c2)ccc1Cl ZINC000314178073 963721889 /nfs/dbraw/zinc/72/18/89/963721889.db2.gz JAZADIZHIOVVGL-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL CC(C)c1ccc(NC(=O)C(=O)[N-]OCC(F)(F)F)c(C(=O)[O-])c1 ZINC001591963266 976552519 /nfs/dbraw/zinc/55/25/19/976552519.db2.gz XLUVCIQONLPUBI-UHFFFAOYSA-N -2 0 348.277 2.057 20 0 EEADRL O=C([O-])[C@@H]1CCN(C(=O)c2n[n-]c3ccccc3c2=O)[C@@H]2CCC[C@H]21 ZINC000864175540 979815578 /nfs/dbraw/zinc/81/55/78/979815578.db2.gz LKLPBUFDAPPUGY-MISXGVKJSA-N -2 0 341.367 2.051 20 0 EEADRL CC[C@@](NC(=O)c1cc(F)cc2n[nH]nc21)(C(=O)[O-])c1ccccc1 ZINC001595265512 980275596 /nfs/dbraw/zinc/27/55/96/980275596.db2.gz YAYHHWHYRQWRDY-KRWDZBQOSA-N -2 0 342.330 2.217 20 0 EEADRL CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1c(C)csc1C(=O)[O-] ZINC001595538471 981392171 /nfs/dbraw/zinc/39/21/71/981392171.db2.gz SXKGBPQPJAXNIH-SECBINFHSA-N -2 0 349.430 2.228 20 0 EEADRL CCC[C@H](C)CCNC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001595573997 981489910 /nfs/dbraw/zinc/48/99/10/981489910.db2.gz NLNRECABVAYLED-IRSUPMPHSA-N -2 0 340.420 2.020 20 0 EEADRL C[C@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ncn(C)c2Cl)cc1 ZINC001589522295 987176614 /nfs/dbraw/zinc/17/66/14/987176614.db2.gz BQTHUKXRTPNCPK-QMMMGPOBSA-N -2 0 343.792 2.062 20 0 EEADRL CCc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)nc(C)n1 ZINC001597482454 987978433 /nfs/dbraw/zinc/97/84/33/987978433.db2.gz HMDNENKUGIURIX-UHFFFAOYSA-N -2 0 335.385 2.155 20 0 EEADRL CCc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)no1 ZINC001597482592 987980000 /nfs/dbraw/zinc/98/00/00/987980000.db2.gz NJBODBPNZAFTGE-UHFFFAOYSA-N -2 0 338.385 2.400 20 0 EEADRL CC(C)(C)n1nccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001590605282 990273085 /nfs/dbraw/zinc/27/30/85/990273085.db2.gz VRFWUYOTACPYNP-UHFFFAOYSA-N -2 0 329.403 2.199 20 0 EEADRL CC(C)CC(C)(C)CNC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC001591124662 991817525 /nfs/dbraw/zinc/81/75/25/991817525.db2.gz XRIJMLLJPQGDJM-RYUDHWBXSA-N -2 0 328.409 2.018 20 0 EEADRL CC(C)CCCCCC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001591237013 992120955 /nfs/dbraw/zinc/12/09/55/992120955.db2.gz SINHSHAYRLDISW-UHFFFAOYSA-N -2 0 331.390 2.389 20 0 EEADRL CC(C)CCc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n[nH]1 ZINC001591266668 992181759 /nfs/dbraw/zinc/18/17/59/992181759.db2.gz OXPKEZOOIDQTAF-UHFFFAOYSA-N -2 0 337.401 2.497 20 0 EEADRL CC(C)Cc1ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cc1 ZINC001591484659 992612203 /nfs/dbraw/zinc/61/22/03/992612203.db2.gz QFFMCBCLYHZEHI-UHFFFAOYSA-N -2 0 341.429 2.056 20 0 EEADRL COc1cc(C(=O)[O-])ccc1NC(=O)c1s[n-]c(=O)c1Cl ZINC001599375648 998481054 /nfs/dbraw/zinc/48/10/54/998481054.db2.gz RLFZWYOGUSDZMO-UHFFFAOYSA-N -2 0 328.733 2.461 20 0 EEADRL C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001594162568 998607214 /nfs/dbraw/zinc/60/72/14/998607214.db2.gz QXOWVUULRTZOGS-BXKDBHETSA-N -2 0 349.774 2.167 20 0 EEADRL CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)c1 ZINC001599041113 999118375 /nfs/dbraw/zinc/11/83/75/999118375.db2.gz KYPOHXCMLOKEKT-SNVBAGLBSA-N -2 0 336.369 2.288 20 0 EEADRL O=C([O-])CCCS(=O)(=O)[N-]CC(F)(F)c1ccc(Cl)cc1 ZINC001601999702 1118774037 /nfs/dbraw/zinc/77/40/37/1118774037.db2.gz ZCZFDXYTBDXVRX-UHFFFAOYSA-N -2 0 341.763 2.216 20 0 EEADRL CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])c1C ZINC000266058115 248068049 /nfs/dbraw/zinc/06/80/49/248068049.db2.gz ICNMRXKBIHJGBJ-UHFFFAOYSA-N -2 0 337.401 2.327 20 0 EEADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C ZINC000267871386 256093098 /nfs/dbraw/zinc/09/30/98/256093098.db2.gz MCDQYNXAXARTIR-UHFFFAOYSA-N -2 0 339.373 2.004 20 0 EEADRL CCC[C@H](NC(=O)C(F)(F)c1c(F)cccc1F)c1nnn[n-]1 ZINC000270386857 256129919 /nfs/dbraw/zinc/12/99/19/256129919.db2.gz HGDRVBYDMQIVDU-VIFPVBQESA-N -2 0 331.273 2.227 20 0 EEADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cc(F)ccc2O)c1 ZINC000345695601 161323354 /nfs/dbraw/zinc/32/33/54/161323354.db2.gz UCPHNWGXVHGRMO-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2O)cc1C(=O)[O-] ZINC000360603268 164348961 /nfs/dbraw/zinc/34/89/61/164348961.db2.gz CSDQDZTXFNJYKD-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3O)cc1 ZINC000368653653 166098759 /nfs/dbraw/zinc/09/87/59/166098759.db2.gz RXIGNNOSDAUDLL-CQSZACIVSA-N -2 0 349.364 2.002 20 0 EEADRL Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O ZINC000317780312 311592303 /nfs/dbraw/zinc/59/23/03/311592303.db2.gz VKOBZFGFGVGVGF-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL C[C@@H]1CCCc2nc(S(=O)(=O)[N-]c3cccc(CC(=O)[O-])c3)cn21 ZINC000416409244 313215840 /nfs/dbraw/zinc/21/58/40/313215840.db2.gz UNOBRUVEWOJHDS-LLVKDONJSA-N -2 0 349.412 2.208 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)cn1 ZINC000060800154 462566379 /nfs/dbraw/zinc/56/63/79/462566379.db2.gz GCQGTTZVYMHLPL-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL CC(C)(C)c1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cn1 ZINC000063849963 462677518 /nfs/dbraw/zinc/67/75/18/462677518.db2.gz JBNQBSPMJXFKLS-UHFFFAOYSA-N -2 0 341.414 2.335 20 0 EEADRL CCc1ccc(O)c([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000357147534 465811897 /nfs/dbraw/zinc/81/18/97/465811897.db2.gz LQQSNGDMWYVCQB-UHFFFAOYSA-N -2 0 335.381 2.383 20 0 EEADRL COc1cc(NC(=O)c2cccc(O)c2)ccc1NS(C)(=O)=O ZINC000357205136 465854244 /nfs/dbraw/zinc/85/42/44/465854244.db2.gz NHCUEUUQWFEPPY-UHFFFAOYSA-N -2 0 336.369 2.025 20 0 EEADRL COc1cc(F)ccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000353676019 466059606 /nfs/dbraw/zinc/05/96/06/466059606.db2.gz KZXLCKVIDREGKN-UHFFFAOYSA-N -2 0 344.302 2.144 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)cc1F ZINC000314712804 466553590 /nfs/dbraw/zinc/55/35/90/466553590.db2.gz KTEJQHLHONOVGB-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000321027182 466616762 /nfs/dbraw/zinc/61/67/62/466616762.db2.gz VZJAOCLGWCXQAI-UHFFFAOYSA-N -2 0 349.290 2.236 20 0 EEADRL C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c2ccccc2O1 ZINC000433517010 467338148 /nfs/dbraw/zinc/33/81/48/467338148.db2.gz KBTKDQBUFUGBIS-SNVBAGLBSA-N -2 0 349.364 2.067 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1O ZINC000433843084 467357472 /nfs/dbraw/zinc/35/74/72/467357472.db2.gz RPMIPAZDTCMYJG-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL CC[C@H]1C(=O)N(c2nnc(C)c(=O)[n-]2)N=C1c1ccc(F)cc1Cl ZINC000634586056 470268786 /nfs/dbraw/zinc/26/87/86/470268786.db2.gz ALQCMCKPBNWOJD-SECBINFHSA-N -2 0 349.753 2.455 20 0 EEADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C1(CC(=O)[O-])CCC1 ZINC000647737221 470973227 /nfs/dbraw/zinc/97/32/27/470973227.db2.gz KPKOPPPILXCWLG-UHFFFAOYSA-N -2 0 335.385 2.000 20 0 EEADRL C[C@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])[C@H]1C(=O)[O-] ZINC000663056917 472342930 /nfs/dbraw/zinc/34/29/30/472342930.db2.gz FAXPETWQFKNOQA-ZUZCIYMTSA-N -2 0 347.346 2.042 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cnn(CC2CC2)c1 ZINC000675094196 485901120 /nfs/dbraw/zinc/90/11/20/485901120.db2.gz RXVVGQLFAFANHA-UHFFFAOYSA-N -2 0 335.385 2.101 20 0 EEADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-]C[C@]1(CC(=O)[O-])CC[C@@H](C)C1 ZINC000776627953 577464817 /nfs/dbraw/zinc/46/48/17/577464817.db2.gz YVCMEJNPNAWZBM-FXPVBKGRSA-N -2 0 331.356 2.138 20 0 EEADRL CCc1ccc([N-]S(=O)(=O)c2cnc(Cl)n2C)c(C(=O)[O-])c1 ZINC000765080234 577494396 /nfs/dbraw/zinc/49/43/96/577494396.db2.gz MWYBMLXFOCUVDR-UHFFFAOYSA-N -2 0 343.792 2.135 20 0 EEADRL CC(C)(C(=O)[N-]OCc1noc(CCCC(=O)[O-])n1)c1ccccc1 ZINC000736223731 578188167 /nfs/dbraw/zinc/18/81/67/578188167.db2.gz KWVDTGRLOBHEML-UHFFFAOYSA-N -2 0 347.371 2.003 20 0 EEADRL C[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000736563707 578211446 /nfs/dbraw/zinc/21/14/46/578211446.db2.gz TUYXAGQUEFEGMR-NSHDSACASA-N -2 0 339.413 2.406 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)o1 ZINC000315926678 599738085 /nfs/dbraw/zinc/73/80/85/599738085.db2.gz UVIWWWQGXOHYEW-UHFFFAOYSA-N -3 0 345.716 2.130 20 0 EEADRL COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccsc1C(=O)[O-] ZINC000386899875 599873155 /nfs/dbraw/zinc/87/31/55/599873155.db2.gz HAJRLKJKERUXKQ-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(Cl)nc2)c1C(=O)[O-] ZINC000149371663 599913967 /nfs/dbraw/zinc/91/39/67/599913967.db2.gz QMJZMIYVVUJAJD-UHFFFAOYSA-N -2 0 330.749 2.444 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)sc1C ZINC000049099091 600243687 /nfs/dbraw/zinc/24/36/87/600243687.db2.gz SIXFRFGVPGQTCF-UHFFFAOYSA-N -2 0 326.399 2.188 20 0 EEADRL CC(C)Cn1cc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cn1 ZINC000826917751 600687362 /nfs/dbraw/zinc/68/73/62/600687362.db2.gz KGBWJPSQGQXJSZ-UHFFFAOYSA-N -2 0 329.403 2.100 20 0 EEADRL COc1cccnc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000832633755 600981320 /nfs/dbraw/zinc/98/13/20/600981320.db2.gz WTXYZTOXWUNTJQ-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc(OC)c1 ZINC000832562161 601150663 /nfs/dbraw/zinc/15/06/63/601150663.db2.gz JHNLWKKRPXUHSA-UHFFFAOYSA-N -2 0 343.382 2.264 20 0 EEADRL O=C([O-])c1ccc(NS(=O)(=O)c2ccccc2C(=O)[O-])c(F)c1 ZINC000833321839 601224805 /nfs/dbraw/zinc/22/48/05/601224805.db2.gz OPWSKHAXOVGMTH-UHFFFAOYSA-N -2 0 339.300 2.023 20 0 EEADRL CCC(CC)(CC(=O)[O-])NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000828790248 601308565 /nfs/dbraw/zinc/30/85/65/601308565.db2.gz YTTKOIQRSCTBJU-UHFFFAOYSA-N -2 0 345.399 2.237 20 0 EEADRL CCc1cnc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)s1 ZINC000830299160 601360907 /nfs/dbraw/zinc/36/09/07/601360907.db2.gz LFPOPKURQYHDSR-UHFFFAOYSA-N -2 0 330.362 2.344 20 0 EEADRL COc1ccc(F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000094854446 601491795 /nfs/dbraw/zinc/49/17/95/601491795.db2.gz PUZMBMITXMQXDE-UHFFFAOYSA-N -2 0 331.346 2.395 20 0 EEADRL CCCCc1nnc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)s1 ZINC000829440439 601502397 /nfs/dbraw/zinc/50/23/97/601502397.db2.gz KZZXUCNTYVTFLD-UHFFFAOYSA-N -2 0 341.414 2.380 20 0 EEADRL CSc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000832785250 601832599 /nfs/dbraw/zinc/83/25/99/601832599.db2.gz JJOFFIAZNCFQQH-UHFFFAOYSA-N -2 0 330.412 2.364 20 0 EEADRL CCn1nccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000830451436 601843952 /nfs/dbraw/zinc/84/39/52/601843952.db2.gz LNUQATQZYVROIL-UHFFFAOYSA-N -2 0 329.765 2.055 20 0 EEADRL CC(C)c1cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])no1 ZINC000827112053 601847758 /nfs/dbraw/zinc/84/77/58/601847758.db2.gz DZZNMCVLWHGXQF-UHFFFAOYSA-N -2 0 328.321 2.436 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n[nH]c1C1CC1 ZINC000832957665 602103747 /nfs/dbraw/zinc/10/37/47/602103747.db2.gz CRVFKASZGDEQAR-UHFFFAOYSA-N -2 0 335.385 2.403 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cn1 ZINC000832952901 604404566 /nfs/dbraw/zinc/40/45/66/604404566.db2.gz LDGDJCWYPUCASX-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000833741392 605124835 /nfs/dbraw/zinc/12/48/35/605124835.db2.gz LCCHNPQBVSCVDX-UHFFFAOYSA-N -2 0 329.403 2.333 20 0 EEADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000833741558 605127367 /nfs/dbraw/zinc/12/73/67/605127367.db2.gz RUCCXMVXBOIASK-UHFFFAOYSA-N -2 0 339.354 2.092 20 0 EEADRL CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nc2)cc1 ZINC000833466270 605164173 /nfs/dbraw/zinc/16/41/73/605164173.db2.gz CAEPAYNYVBMOLQ-UHFFFAOYSA-N -2 0 348.380 2.419 20 0 EEADRL CC(C)(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000863951937 1197936275 /nfs/dbraw/zinc/93/62/75/1197936275.db2.gz YEDYGCQDILSNID-CQSZACIVSA-N -2 0 349.408 2.392 20 0 EEADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cn(CCF)cn2)c1 ZINC001187553294 1279580190 /nfs/dbraw/zinc/58/01/90/1279580190.db2.gz NLGNFESJOLCXNG-UHFFFAOYSA-N -2 0 347.755 2.005 20 0 EEADRL O=C(Nc1ccc2ncncc2c1)c1ccccc1OP(=O)([O-])[O-] ZINC001189888372 1280564614 /nfs/dbraw/zinc/56/46/14/1280564614.db2.gz FQTFJXRIJYBNNS-UHFFFAOYSA-N -2 0 345.251 2.354 20 0 EEADRL CS(=O)(=O)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(F)c1 ZINC001242162974 1309623730 /nfs/dbraw/zinc/62/37/30/1309623730.db2.gz NXAUZQHMXKPKAQ-UHFFFAOYSA-N -2 0 338.312 2.293 20 0 EEADRL O=P([O-])([O-])OCCNc1ccnc(CSc2ccccc2)n1 ZINC001157796052 1318867391 /nfs/dbraw/zinc/86/73/91/1318867391.db2.gz TVUIUDGTCANXOU-UHFFFAOYSA-N -2 0 341.329 2.290 20 0 EEADRL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1O ZINC001258917310 1319374054 /nfs/dbraw/zinc/37/40/54/1319374054.db2.gz XNKLOXQHWGSQLC-UHFFFAOYSA-N -2 0 344.751 2.084 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ncccc2N2CCCC2)c1 ZINC001260184383 1319818208 /nfs/dbraw/zinc/81/82/08/1319818208.db2.gz INJMRNLLGBBMAA-UHFFFAOYSA-N -2 0 347.396 2.181 20 0 EEADRL O=C([O-])C1CCC(NC(=O)Nc2cc(F)cc(F)c2)(C(=O)[O-])CC1 ZINC001608502514 1351705646 /nfs/dbraw/zinc/70/56/46/1351705646.db2.gz SQLSXLCZVAKBJO-UHFFFAOYSA-N -2 0 342.298 2.185 20 0 EEADRL Cc1c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)c2ccccc2n1C ZINC001600058104 1349963113 /nfs/dbraw/zinc/96/31/13/1349963113.db2.gz JAPRRJXBGREXTR-UHFFFAOYSA-N -2 0 345.380 2.381 20 0 EEADRL O=C([O-])c1cc(Br)ccc1SCc1n[nH]c(=O)[n-]1 ZINC001602241748 1350474120 /nfs/dbraw/zinc/47/41/20/1350474120.db2.gz WRPCSRUETUAHAM-UHFFFAOYSA-N -2 0 330.163 2.263 20 0 EEADRL O=C([O-])C1(NC(=O)c2cc(Cl)c3ccccc3c2[O-])CC(CO)C1 ZINC001608403892 1351688024 /nfs/dbraw/zinc/68/80/24/1351688024.db2.gz NTQWWIIVTWOSGO-UHFFFAOYSA-N -2 0 349.770 2.154 20 0 EEADRL O=C([O-])C[C@@H](Cc1ccccc1)NC(=O)c1c([O-])cc(F)cc1F ZINC001608769341 1351759122 /nfs/dbraw/zinc/75/91/22/1351759122.db2.gz GLUAAJMTLSPVQX-GFCCVEGCSA-N -2 0 335.306 2.486 20 0 EEADRL O=C([O-])c1cnc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)cn1 ZINC001608978171 1351806483 /nfs/dbraw/zinc/80/64/83/1351806483.db2.gz CPRSRXZOTXYNFN-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nn2)c1C ZINC001610453528 1352224459 /nfs/dbraw/zinc/22/44/59/1352224459.db2.gz CDCOQETXOOPBDD-UHFFFAOYSA-N -2 0 335.385 2.209 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2cnc(CC(C)C)nc2)cc1C(=O)[O-] ZINC001610587362 1352249973 /nfs/dbraw/zinc/24/99/73/1352249973.db2.gz IXSRHGBTAWMJOC-UHFFFAOYSA-N -2 0 339.373 2.076 20 0 EEADRL O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)C1 ZINC001610741559 1352267204 /nfs/dbraw/zinc/26/72/04/1352267204.db2.gz WVDYPQGMSIPKLS-GHMZBOCLSA-N -2 0 330.344 2.007 20 0 EEADRL O=C([O-])c1ccc(C(=O)COC(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC001610819497 1352280353 /nfs/dbraw/zinc/28/03/53/1352280353.db2.gz HOOIQTZFBSQQRW-UHFFFAOYSA-N -2 0 336.246 2.408 20 0 EEADRL O=C([O-])c1ncsc1S(=O)(=O)NCc1coc2ccccc12 ZINC001610871189 1352288489 /nfs/dbraw/zinc/28/84/89/1352288489.db2.gz DEXLFQDVWNKCIN-UHFFFAOYSA-N -2 0 338.366 2.066 20 0 EEADRL O=C([N-]OCC1CC1)C1(c2ccc(-c3nn[nH]n3)cc2)CCCC1 ZINC001593169520 1349743368 /nfs/dbraw/zinc/74/33/68/1349743368.db2.gz VQOZLELFZHNSEQ-UHFFFAOYSA-N -2 0 327.388 2.136 20 0 EEADRL Cc1cc(C=O)c([O-])c(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001600186074 1349988111 /nfs/dbraw/zinc/98/81/11/1349988111.db2.gz PLPWNSBTTHOEAN-AWEZNQCLSA-N -2 0 325.320 2.342 20 0 EEADRL Cc1cc(NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(C(=O)[O-])[nH]1 ZINC001600264226 1350006222 /nfs/dbraw/zinc/00/62/22/1350006222.db2.gz JRKKWHFOFFXRKP-KXUCPTDWSA-N -2 0 337.376 2.278 20 0 EEADRL Cc1ccc(C(=O)[O-])c(O)c1[N-]S(=O)(=O)c1cccc(F)c1F ZINC001600344892 1350024957 /nfs/dbraw/zinc/02/49/57/1350024957.db2.gz AMVGOASZFINDLS-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C(=O)[O-])cn2)cc1 ZINC001600372109 1350032605 /nfs/dbraw/zinc/03/26/05/1350032605.db2.gz OXBDINWSVALVQA-CQSZACIVSA-N -2 0 328.324 2.034 20 0 EEADRL Cc1ccccc1NC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001600584954 1350090557 /nfs/dbraw/zinc/09/05/57/1350090557.db2.gz BTRDQLJDUBJCED-VMBJYNEYSA-N -2 0 332.356 2.024 20 0 EEADRL Cc1oc(CN(C)C(=O)NC[C@H](CC(C)C)C(=O)[O-])cc1C(=O)[O-] ZINC001600842667 1350149513 /nfs/dbraw/zinc/14/95/13/1350149513.db2.gz CHMSQGLFRUVPAC-NSHDSACASA-N -2 0 340.376 2.175 20 0 EEADRL Cc1sc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cnn(C2CCC2)c1 ZINC001600873046 1350157527 /nfs/dbraw/zinc/15/75/27/1350157527.db2.gz ZOJAVDDLWIMUJU-UHFFFAOYSA-N -2 0 341.414 2.477 20 0 EEADRL Cc1sc(NC(=O)N2CCC[C@H](C(=O)[O-])C2)c(C(=O)[O-])c1C ZINC001600887344 1350160767 /nfs/dbraw/zinc/16/07/67/1350160767.db2.gz PGMXPHUFOTZIIA-VIFPVBQESA-N -2 0 326.374 2.392 20 0 EEADRL O=C([O-])[C@H](CC(F)(F)F)NC(=O)c1ccc2oc(=S)[n-]c2c1 ZINC001601405862 1350276874 /nfs/dbraw/zinc/27/68/74/1350276874.db2.gz FVXGUNDOLOLQJZ-ZETCQYMHSA-N -2 0 334.275 2.252 20 0 EEADRL O=C([O-])CCCS(=O)(=O)N[C@@H](CCc1ccccc1)C(F)F ZINC001601999392 1350414260 /nfs/dbraw/zinc/41/42/60/1350414260.db2.gz ZNPYKTWNHCKAMF-LBPRGKRZSA-N -2 0 335.372 2.037 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]C2(C(F)F)CCCC2)oc1Cl ZINC001602293330 1350487094 /nfs/dbraw/zinc/48/70/94/1350487094.db2.gz PXEACODZOSNIJA-UHFFFAOYSA-N -2 0 343.735 2.487 20 0 EEADRL O=C([O-])c1ccc(C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC001602320764 1350493455 /nfs/dbraw/zinc/49/34/55/1350493455.db2.gz JJMSOQYWEJSTDM-CVEARBPZSA-N -2 0 339.347 2.325 20 0 EEADRL O=C([O-])c1ccoc1S(=O)(=O)[N-]CC(F)(F)c1cccc(F)c1 ZINC001602488404 1350530911 /nfs/dbraw/zinc/53/09/11/1350530911.db2.gz GQOFJYPUOWVISC-UHFFFAOYSA-N -2 0 349.286 2.187 20 0 EEADRL C[C@@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cnn(CC3CC3)c2)cc1 ZINC001603214064 1350663846 /nfs/dbraw/zinc/66/38/46/1350663846.db2.gz NTWVEFCVBSQHCQ-LLVKDONJSA-N -2 0 349.412 2.282 20 0 EEADRL CC(C)(CC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])C1CC1 ZINC001603575239 1350722954 /nfs/dbraw/zinc/72/29/54/1350722954.db2.gz RESCGDJYYXDZDN-UHFFFAOYSA-N -2 0 331.415 2.078 20 0 EEADRL CC(C)c1oncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001604030097 1350833787 /nfs/dbraw/zinc/83/37/87/1350833787.db2.gz XHWYKDSOVMWXCP-UHFFFAOYSA-N -2 0 328.321 2.436 20 0 EEADRL CCCc1nnc([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)s1 ZINC001605383860 1351150598 /nfs/dbraw/zinc/15/05/98/1351150598.db2.gz ZYEPCTPDRQPRAI-UHFFFAOYSA-N -2 0 341.414 2.131 20 0 EEADRL CN(CCC(=O)[O-])C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001606105004 1351271895 /nfs/dbraw/zinc/27/18/95/1351271895.db2.gz YMLMSHQXQLFYAC-UHFFFAOYSA-N -2 0 345.149 2.086 20 0 EEADRL COc1cc(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])ccc1C(=O)[O-] ZINC001607178296 1351443847 /nfs/dbraw/zinc/44/38/47/1351443847.db2.gz JUNCYZQZGTVFDM-JTQLQIEISA-N -2 0 338.360 2.262 20 0 EEADRL COc1ccnc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1 ZINC001607350569 1351480672 /nfs/dbraw/zinc/48/06/72/1351480672.db2.gz KDMGVJFLTWRVME-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL Cc1[nH]c(C(=O)[O-])cc1C([O-])=CS(=O)(=O)c1ccc2c(c1)CCC2 ZINC001607494925 1351504559 /nfs/dbraw/zinc/50/45/59/1351504559.db2.gz LQQLYQXOWYLFRI-UHFFFAOYSA-N -2 0 347.392 2.167 20 0 EEADRL Cc1[nH]c(C(=O)[O-])cc1C([O-])=CS(=O)(=O)[C@H](C)c1ccccc1 ZINC001607494744 1351504587 /nfs/dbraw/zinc/50/45/87/1351504587.db2.gz JQYXZDBCNCSJGO-LLVKDONJSA-N -2 0 335.381 2.380 20 0 EEADRL Cc1cc(C=O)c([O-])c(C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)c1 ZINC001607633180 1351529808 /nfs/dbraw/zinc/52/98/08/1351529808.db2.gz GXOYPLBDKLXCOG-HNNXBMFYSA-N -2 0 341.319 2.006 20 0 EEADRL Cc1nc(C)c([N-]S(=O)(=O)C[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC001607952060 1351591769 /nfs/dbraw/zinc/59/17/69/1351591769.db2.gz IXNGFNSVHZPJSW-GFCCVEGCSA-N -2 0 340.426 2.370 20 0 EEADRL Cc1noc([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])c1C ZINC001608027463 1351609722 /nfs/dbraw/zinc/60/97/22/1351609722.db2.gz UNDOUDYYTVWQTA-UHFFFAOYSA-N -2 0 347.352 2.339 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)c(C(C)(C)C)n1 ZINC001608122345 1351629377 /nfs/dbraw/zinc/62/93/77/1351629377.db2.gz QSAWPWDVJBVWFS-UHFFFAOYSA-N -2 0 343.430 2.278 20 0 EEADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)/C=C\C2CCCC2)c1 ZINC001608284050 1351662738 /nfs/dbraw/zinc/66/27/38/1351662738.db2.gz YQPQIQIIXUJAPQ-HJWRWDBZSA-N -2 0 337.397 2.077 20 0 EEADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cncc(Cl)n2)c1 ZINC001187545117 1368250413 /nfs/dbraw/zinc/25/04/13/1368250413.db2.gz DYYSFQVCEZHAAO-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnnc(Cl)c2)ccc1Cl ZINC001188272494 1368292819 /nfs/dbraw/zinc/29/28/19/1368292819.db2.gz JRWHKCBYVBFDBZ-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL Cc1ncc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)nc1C ZINC001188279850 1368293403 /nfs/dbraw/zinc/29/34/03/1368293403.db2.gz RRVNRRZDTCXTQR-UHFFFAOYSA-N -2 0 341.776 2.246 20 0 EEADRL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)C(F)(F)F ZINC001195259744 1368513713 /nfs/dbraw/zinc/51/37/13/1368513713.db2.gz KHFLAOVSZNQTJS-SECBINFHSA-N -2 0 347.261 2.282 20 0 EEADRL CCC[C@@H](NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-])C(=O)[O-] ZINC000185007385 1406054713 /nfs/dbraw/zinc/05/47/13/1406054713.db2.gz GQASEDQAPIANGA-LLVKDONJSA-N -2 0 335.335 2.009 20 0 EEADRL O=P([O-])([O-])OCCNc1cc(Cl)cc2c(Cl)ncnc12 ZINC001168588978 790602802 /nfs/dbraw/zinc/60/28/02/790602802.db2.gz ASWIVZVLSFHZKK-UHFFFAOYSA-N -2 0 338.087 2.458 20 0 EEADRL CC(=O)Nc1ccc(NCCOP(=O)([O-])[O-])c(C(F)(F)F)c1 ZINC001168592154 790816124 /nfs/dbraw/zinc/81/61/24/790816124.db2.gz KLDUAJWMMHNQKZ-UHFFFAOYSA-N -2 0 342.210 2.185 20 0 EEADRL COC(=O)c1cccc([C@@H](C)Nc2ccc(P(=O)([O-])[O-])cc2)c1 ZINC001171107338 788869641 /nfs/dbraw/zinc/86/96/41/788869641.db2.gz FJUGQVPCNHGWRQ-LLVKDONJSA-N -2 0 335.296 2.449 20 0 EEADRL O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1ccc([O-])c([N+](=O)[O-])c1 ZINC000045451598 789457440 /nfs/dbraw/zinc/45/74/40/789457440.db2.gz IDKWBXUOIJDOTO-HNQUOIGGSA-N -2 0 331.240 2.472 20 0 EEADRL O=C(Nc1cnc2occc2c1)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148916696 792783142 /nfs/dbraw/zinc/78/31/42/792783142.db2.gz CKKWCYCVRMKNMV-UHFFFAOYSA-N -2 0 334.309 2.032 20 0 EEADRL Cc1ccc(S(=O)(=O)NCCCCCCC(=O)[O-])cc1C(=O)[O-] ZINC000916575492 797657070 /nfs/dbraw/zinc/65/70/70/797657070.db2.gz YBXVSJFFXZVSIK-UHFFFAOYSA-N -2 0 343.401 2.007 20 0 EEADRL COc1ccc(N)cc1S(=O)(=O)[N-]c1cccc(/C=C/C(=O)[O-])c1 ZINC001174499656 797775461 /nfs/dbraw/zinc/77/54/61/797775461.db2.gz ILOWNKOMMPTMTP-VMPITWQZSA-N -2 0 348.380 2.176 20 0 EEADRL O=C([O-])c1cc(Nc2cnn(C3CCOCC3)c2)cc(C(=O)[O-])c1 ZINC001176240489 798391059 /nfs/dbraw/zinc/39/10/59/798391059.db2.gz XSJCWRWCGXAIST-UHFFFAOYSA-N -2 0 331.328 2.375 20 0 EEADRL COC(=O)c1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(O)c1 ZINC001176241501 798392704 /nfs/dbraw/zinc/39/27/04/798392704.db2.gz JBHKDYCRBKYVAA-UHFFFAOYSA-N -2 0 331.280 2.319 20 0 EEADRL O=C([O-])Cn1cc(Nc2ccc3ccc(S(=O)(=O)[O-])cc3c2)cn1 ZINC001176271573 798414231 /nfs/dbraw/zinc/41/42/31/798414231.db2.gz WZZVUVDDGQEMBK-UHFFFAOYSA-N -2 0 347.352 2.111 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)nc1 ZINC000321641321 970792535 /nfs/dbraw/zinc/79/25/35/970792535.db2.gz LGLAFEPRMUKPLB-UHFFFAOYSA-N -2 0 332.381 2.307 20 0 EEADRL O=C([O-])c1cc(F)c(F)cc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001595207896 952343492 /nfs/dbraw/zinc/34/34/92/952343492.db2.gz KGQYFDRTJIDDOB-UHFFFAOYSA-N -2 0 327.283 2.036 20 0 EEADRL CC(C)(C)c1nnc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)o1 ZINC001186139813 960536561 /nfs/dbraw/zinc/53/65/61/960536561.db2.gz TWEOBUHYBAQMOQ-UHFFFAOYSA-N -2 0 343.336 2.005 20 0 EEADRL CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-] ZINC000863962609 969312234 /nfs/dbraw/zinc/31/22/34/969312234.db2.gz QJEKIMCOCNDONN-MRXNPFEDSA-N -2 0 341.429 2.475 20 0 EEADRL C[C@H]1CCCN(Cc2ncc(Br)cc2[O-])[C@@H]1C(=O)[O-] ZINC001603414722 973098253 /nfs/dbraw/zinc/09/82/53/973098253.db2.gz FZIWPMNTWHTJTA-UFBFGSQYSA-N -2 0 329.194 2.235 20 0 EEADRL CC(C)c1sc([N-]S(=O)(=O)c2cncc(F)c2)nc1C(=O)[O-] ZINC001592116888 976917827 /nfs/dbraw/zinc/91/78/27/976917827.db2.gz HUJZXMDQCOWSBI-UHFFFAOYSA-N -2 0 345.377 2.300 20 0 EEADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000777908466 978781975 /nfs/dbraw/zinc/78/19/75/978781975.db2.gz LBYQOADFJUFQMW-UHFFFAOYSA-N -2 0 349.412 2.409 20 0 EEADRL CCC(CC)(CNC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)C(=O)[O-] ZINC001595071158 979339589 /nfs/dbraw/zinc/33/95/89/979339589.db2.gz ABHJKCRXBPSZKJ-UHFFFAOYSA-N -2 0 348.359 2.274 20 0 EEADRL CCCC[C@@](C)(F)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001595630592 981823625 /nfs/dbraw/zinc/82/36/25/981823625.db2.gz KUBZFMRHUMXYPZ-CYBMUJFWSA-N -2 0 335.353 2.010 20 0 EEADRL CCOC(=O)c1cnc(/C=C\c2ccc(C(=O)[O-])o2)c(C(=O)[O-])c1 ZINC001596739657 985036511 /nfs/dbraw/zinc/03/65/11/985036511.db2.gz VHRCSUOXGBUKOZ-HYXAFXHYSA-N -2 0 331.280 2.418 20 0 EEADRL CSc1ccccc1C(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001599823540 988556512 /nfs/dbraw/zinc/55/65/12/988556512.db2.gz WGBWKNADFZYAOS-JKIHBJTHSA-N -2 0 349.408 2.046 20 0 EEADRL CSc1nc(=O)n(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)[n-]1 ZINC001599829068 988642033 /nfs/dbraw/zinc/64/20/33/988642033.db2.gz LWBXZRWVWILGDJ-UHFFFAOYSA-N -2 0 348.409 2.163 20 0 EEADRL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1ccccc1 ZINC001599831002 988675028 /nfs/dbraw/zinc/67/50/28/988675028.db2.gz OTOYSERDDHGTDH-SECBINFHSA-N -2 0 339.394 2.055 20 0 EEADRL CCn1nccc1S(=O)(=O)[N-]c1c(C)sc(C)c1C(=O)[O-] ZINC001597967717 990008417 /nfs/dbraw/zinc/00/84/17/990008417.db2.gz BTCJGWDIRDGZSW-UHFFFAOYSA-N -2 0 329.403 2.080 20 0 EEADRL CC(C)C[C@H](CNC(=O)Nc1ccc(OCC(=O)[O-])cc1)C(=O)[O-] ZINC001591150686 991893214 /nfs/dbraw/zinc/89/32/14/991893214.db2.gz JXWCIXPVPGODRF-LLVKDONJSA-N -2 0 338.360 2.018 20 0 EEADRL COC[C@]1(C(=O)[O-])CCCCN1C(=O)c1cccc(Cl)c1[O-] ZINC001599181210 996946415 /nfs/dbraw/zinc/94/64/15/996946415.db2.gz BNLPPPNANLNCJB-HNNXBMFYSA-N -2 0 327.764 2.142 20 0 EEADRL COC(=O)c1cc(NC(=O)CC2(CC(=O)[O-])CCC2)ccc1C(=O)[O-] ZINC001598937800 997903661 /nfs/dbraw/zinc/90/36/61/997903661.db2.gz JKHVZYXDOFBQSB-UHFFFAOYSA-N -2 0 349.339 2.145 20 0 EEADRL COc1cc(O)cc([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])c1 ZINC001599446536 998018455 /nfs/dbraw/zinc/01/84/55/998018455.db2.gz YETGHAJUCZPRLP-UHFFFAOYSA-N -2 0 343.382 2.270 20 0 EEADRL COCCc1ccc(S(=O)(=O)[N-]c2sccc2C(=O)[O-])cc1 ZINC001599263446 998426243 /nfs/dbraw/zinc/42/62/43/998426243.db2.gz IPIOEMJRTHGJHI-UHFFFAOYSA-N -2 0 341.410 2.436 20 0 EEADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cccc(CCC(=O)[O-])c2)C1 ZINC001594209924 998814332 /nfs/dbraw/zinc/81/43/32/998814332.db2.gz KLAHXTGBQUEMCO-YPMHNXCESA-N -2 0 334.372 2.278 20 0 EEADRL C[C@@H]1CCC[C@@]1(C)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001594356866 999348833 /nfs/dbraw/zinc/34/88/33/999348833.db2.gz FQXZKVPMNYHHBM-MEBBXXQBSA-N -2 0 325.386 2.016 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)cc1C(=O)[O-] ZINC000319531160 539751531 /nfs/dbraw/zinc/75/15/31/539751531.db2.gz KZULKXDDPQTLNM-UHFFFAOYSA-N -2 0 336.369 2.210 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)cc1C(=O)[O-] ZINC000348890013 539858445 /nfs/dbraw/zinc/85/84/45/539858445.db2.gz UYYGMIUYFKNFAL-UHFFFAOYSA-N -2 0 344.776 2.366 20 0 EEADRL Cc1cc(C(=O)Nc2cccc3ncccc32)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000172601703 152099540 /nfs/dbraw/zinc/09/95/40/152099540.db2.gz BDVFFOYMPAQKNA-UHFFFAOYSA-N -2 0 347.334 2.133 20 0 EEADRL Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000184659025 160014369 /nfs/dbraw/zinc/01/43/69/160014369.db2.gz NLWCLGNXTMKZDT-SECBINFHSA-N -2 0 338.385 2.355 20 0 EEADRL CCCCOc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cn1 ZINC000274832768 269059598 /nfs/dbraw/zinc/05/95/98/269059598.db2.gz UROONHNSNIJDAA-UHFFFAOYSA-N -2 0 339.373 2.088 20 0 EEADRL O=C([O-])c1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccco1 ZINC000275684555 274260128 /nfs/dbraw/zinc/26/01/28/274260128.db2.gz IDOLERQPIJPCFR-UHFFFAOYSA-N -2 0 336.369 2.379 20 0 EEADRL Cc1oc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1C(=O)[O-] ZINC000321312565 311596212 /nfs/dbraw/zinc/59/62/12/311596212.db2.gz OXYCQQPMIJLQLB-UHFFFAOYSA-N -2 0 349.286 2.182 20 0 EEADRL CCc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])cc1CC ZINC000539193439 318052688 /nfs/dbraw/zinc/05/26/88/318052688.db2.gz SIKCVAMSICMKNY-UHFFFAOYSA-N -2 0 337.401 2.044 20 0 EEADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000547910481 318333408 /nfs/dbraw/zinc/33/34/08/318333408.db2.gz MXTGFDZMIIOXMF-MUWHJKNJSA-N -2 0 345.726 2.336 20 0 EEADRL C[C@@H]1CCN(C(=O)N=c2nc(-c3ccccc3)[n-]s2)C[C@H]1C(=O)[O-] ZINC000567385757 319375835 /nfs/dbraw/zinc/37/58/35/319375835.db2.gz OUFJAGRHGKLKPH-ZYHUDNBSSA-N -2 0 346.412 2.202 20 0 EEADRL CC(C)c1noc(=NCc2cccc(-n3ccc(C(=O)[O-])n3)c2)[n-]1 ZINC000574281841 320012210 /nfs/dbraw/zinc/01/22/10/320012210.db2.gz XWTWTYCNPVPZLG-UHFFFAOYSA-N -2 0 327.344 2.111 20 0 EEADRL CC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)c1c(C)noc1C ZINC000577748488 320273578 /nfs/dbraw/zinc/27/35/78/320273578.db2.gz AJSFLQWYJMBVNO-JTQLQIEISA-N -2 0 328.346 2.012 20 0 EEADRL C[C@H](CC[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)CC(=O)[O-] ZINC000581946855 324348451 /nfs/dbraw/zinc/34/84/51/324348451.db2.gz FMSJPNHYLWSJBZ-SSDOTTSWSA-N -2 0 341.763 2.397 20 0 EEADRL Cc1n[nH]c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)ccc12 ZINC000093909126 463052731 /nfs/dbraw/zinc/05/27/31/463052731.db2.gz UFXVBMRDXWGLRA-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000096697677 463295909 /nfs/dbraw/zinc/29/59/09/463295909.db2.gz ZZIKIQDPZYESEU-UHFFFAOYSA-N -2 0 349.364 2.397 20 0 EEADRL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000349010972 465920096 /nfs/dbraw/zinc/92/00/96/465920096.db2.gz UTWHTZLDDFQQMK-UHFFFAOYSA-N -2 0 339.344 2.480 20 0 EEADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccsc1 ZINC000349040762 465935320 /nfs/dbraw/zinc/93/53/20/465935320.db2.gz SJXYJNNRGPHCGE-UHFFFAOYSA-N -2 0 331.346 2.395 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)cc1C(=O)[O-] ZINC000357550177 466125080 /nfs/dbraw/zinc/12/50/80/466125080.db2.gz VHCKVSUCLJTFDR-UHFFFAOYSA-N -2 0 330.312 2.462 20 0 EEADRL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000354234766 466405237 /nfs/dbraw/zinc/40/52/37/466405237.db2.gz KXUIVJUUMFLHRF-UHFFFAOYSA-N -2 0 345.327 2.463 20 0 EEADRL Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O ZINC000317380834 466579879 /nfs/dbraw/zinc/57/98/79/466579879.db2.gz FLPDASDJQGGRHO-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL COc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000318992235 466593753 /nfs/dbraw/zinc/59/37/53/466593753.db2.gz KSHLYILOUHZROM-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL CCCN(CC(=O)[O-])C(=O)c1nn(-c2ccccc2CC)cc1[O-] ZINC000520229282 468236181 /nfs/dbraw/zinc/23/61/81/468236181.db2.gz IQZLMSQQHVQZBC-UHFFFAOYSA-N -2 0 331.372 2.077 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cnc(CC3CC3)nc2)ccc1C(=O)[O-] ZINC000556799630 468576294 /nfs/dbraw/zinc/57/62/94/468576294.db2.gz ASKYJBQRLLFPDS-UHFFFAOYSA-N -2 0 347.396 2.237 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)ccc1C(=O)[O-] ZINC000671659885 485965921 /nfs/dbraw/zinc/96/59/21/485965921.db2.gz NXNLDUFALSUUSM-UHFFFAOYSA-N -2 0 333.369 2.161 20 0 EEADRL Cc1c(Cl)ccc(C(=O)[O-])c1NS(=O)(=O)[C@H]1CCCOC1 ZINC000681562582 486275171 /nfs/dbraw/zinc/27/51/71/486275171.db2.gz XLMLGZIDFTUKJZ-VIFPVBQESA-N -2 0 333.793 2.267 20 0 EEADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccsc1 ZINC000737687058 576018509 /nfs/dbraw/zinc/01/85/09/576018509.db2.gz BWGPUMIQTPWUCW-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)CC2=CCCCC2)cc1 ZINC000739219361 576173706 /nfs/dbraw/zinc/17/37/06/576173706.db2.gz WBUUDNZKGXEHNI-UHFFFAOYSA-N -2 0 337.397 2.221 20 0 EEADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccc(Cl)nc2)c1 ZINC000749141250 577971723 /nfs/dbraw/zinc/97/17/23/577971723.db2.gz CJRFNTWNAHSSTM-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])[C@H]1CCCN(C(=O)c2cccc(Br)c2[O-])C1 ZINC000738537578 578018833 /nfs/dbraw/zinc/01/88/33/578018833.db2.gz IVWUJYBYXOLMRC-QMMMGPOBSA-N -2 0 328.162 2.092 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccnn2C2CCCC2)o1 ZINC000740187129 578084744 /nfs/dbraw/zinc/08/47/44/578084744.db2.gz HBBVUHWTJDVPKK-UHFFFAOYSA-N -2 0 325.346 2.090 20 0 EEADRL CCCOc1ccccc1[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000737034365 578234261 /nfs/dbraw/zinc/23/42/61/578234261.db2.gz IOAQIYVLRBDBJU-UHFFFAOYSA-N -2 0 339.373 2.006 20 0 EEADRL CCn1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000737312426 578249746 /nfs/dbraw/zinc/24/97/46/578249746.db2.gz NRPNGPOOPJPIFH-UHFFFAOYSA-N -2 0 329.765 2.055 20 0 EEADRL CCn1ncc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)cc21 ZINC000737311967 578249772 /nfs/dbraw/zinc/24/97/72/578249772.db2.gz IOYAQGUUGIPUKO-UHFFFAOYSA-N -2 0 335.341 2.148 20 0 EEADRL O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc(Br)c1[O-] ZINC000821508992 597458284 /nfs/dbraw/zinc/45/82/84/597458284.db2.gz ATWGGZCHUGZGGT-JTQLQIEISA-N -2 0 328.162 2.234 20 0 EEADRL O=C([O-])c1sccc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000035306446 599873423 /nfs/dbraw/zinc/87/34/23/599873423.db2.gz XSEHUXUMIPBDFR-UHFFFAOYSA-N -2 0 341.395 2.252 20 0 EEADRL O=C([O-])Cc1csc([N-]S(=O)(=O)c2ccccc2Cl)n1 ZINC000034005754 600050805 /nfs/dbraw/zinc/05/08/05/600050805.db2.gz AJWZZHZNTINJCH-UHFFFAOYSA-N -2 0 332.790 2.224 20 0 EEADRL CCc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)cc1 ZINC000037461820 600051154 /nfs/dbraw/zinc/05/11/54/600051154.db2.gz WWULLQGJKAEKOV-UHFFFAOYSA-N -2 0 326.399 2.133 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000832953034 601235267 /nfs/dbraw/zinc/23/52/67/601235267.db2.gz ZEQOBVTYYYSJRW-UHFFFAOYSA-N -3 0 339.325 2.094 20 0 EEADRL CCc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1 ZINC000830253576 601251019 /nfs/dbraw/zinc/25/10/19/601251019.db2.gz GRXLXPNOXFTLJR-UHFFFAOYSA-N -2 0 325.342 2.355 20 0 EEADRL COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)c1 ZINC000387081902 601357711 /nfs/dbraw/zinc/35/77/11/601357711.db2.gz SWQKNNBNPZWCMT-UHFFFAOYSA-N -2 0 343.382 2.264 20 0 EEADRL CCCn1nccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000829590962 601828900 /nfs/dbraw/zinc/82/89/00/601828900.db2.gz KOUQWPTXRSGQPH-UHFFFAOYSA-N -2 0 343.792 2.446 20 0 EEADRL CCc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)no1 ZINC000830224048 601843937 /nfs/dbraw/zinc/84/39/37/601843937.db2.gz FKMKCSNYRLUCHL-UHFFFAOYSA-N -2 0 330.749 2.389 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc3ccccc3n2)ccc1F ZINC000833306321 601848123 /nfs/dbraw/zinc/84/81/23/601848123.db2.gz PTHTZUIYKLPGMG-UHFFFAOYSA-N -2 0 347.327 2.268 20 0 EEADRL C[C@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000828221657 602384951 /nfs/dbraw/zinc/38/49/51/602384951.db2.gz UYNCPFMJOMYYAY-DTWKUNHWSA-N -2 0 331.415 2.078 20 0 EEADRL CCc1nc([N-]S(=O)(=O)Cc2ccccc2)sc1C(=O)[O-] ZINC000833674968 605008236 /nfs/dbraw/zinc/00/82/36/605008236.db2.gz JDNFFLFOZSETMT-UHFFFAOYSA-N -2 0 326.399 2.346 20 0 EEADRL CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC=CC1 ZINC000863962837 1197938914 /nfs/dbraw/zinc/93/89/14/1197938914.db2.gz YWVRLJKKUMLACY-ZDUSSCGKSA-N -2 0 337.397 2.005 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn2ccccc12 ZINC001185878852 1278847214 /nfs/dbraw/zinc/84/72/14/1278847214.db2.gz FTRASSXIGHHMEJ-UHFFFAOYSA-N -2 0 331.353 2.142 20 0 EEADRL Cc1csc(NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)c1 ZINC001189915976 1280550102 /nfs/dbraw/zinc/55/01/02/1280550102.db2.gz ZHPFSBBJEOHGPL-UHFFFAOYSA-N -2 0 341.366 2.254 20 0 EEADRL O=C(Nc1n[nH]c(C(F)(F)F)n1)c1cc(Cl)nc(Cl)c1[O-] ZINC001193084186 1282303188 /nfs/dbraw/zinc/30/31/88/1282303188.db2.gz PHQYSIWNIGSEGE-UHFFFAOYSA-N -2 0 342.064 2.483 20 0 EEADRL O=C(Nc1cc(=O)[n-]c(Cl)n1)c1cc(Cl)nc(Cl)c1[O-] ZINC001193083824 1282303486 /nfs/dbraw/zinc/30/34/86/1282303486.db2.gz YXDCIKDWGLMDGV-UHFFFAOYSA-N -2 0 335.534 2.495 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1csc2nccnc12 ZINC001198741132 1285314296 /nfs/dbraw/zinc/31/42/96/1285314296.db2.gz OIZDZFMODCSBCZ-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccnn1CC1CCC1 ZINC001198747471 1285316589 /nfs/dbraw/zinc/31/65/89/1285316589.db2.gz ZUSKKOMWTVVKMY-UHFFFAOYSA-N -2 0 335.385 2.182 20 0 EEADRL CC(=O)c1sccc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198746566 1285316909 /nfs/dbraw/zinc/31/69/09/1285316909.db2.gz FKBZMUKEMMWOCF-UHFFFAOYSA-N -2 0 325.367 2.450 20 0 EEADRL COC(=O)c1cc(F)c(C)nc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242159439 1309622944 /nfs/dbraw/zinc/62/29/44/1309622944.db2.gz OLIIVSJEESHVRB-UHFFFAOYSA-N -2 0 333.271 2.379 20 0 EEADRL CCCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)on1 ZINC001260208941 1319832097 /nfs/dbraw/zinc/83/20/97/1319832097.db2.gz COEJMSHJBXIIEE-UHFFFAOYSA-N -2 0 328.321 2.265 20 0 EEADRL COc1nccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260208913 1319831721 /nfs/dbraw/zinc/83/17/21/1319831721.db2.gz BKUPDOFMFSCNNT-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cncc(Cl)c2)c1 ZINC001260209549 1319833237 /nfs/dbraw/zinc/83/32/37/1319833237.db2.gz KZGNPRCOZIFNEQ-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cc([O-])c(F)c(F)c2)c1 ZINC001260215645 1319833780 /nfs/dbraw/zinc/83/37/80/1319833780.db2.gz OHXAMACAIZUNTH-UHFFFAOYSA-N -3 0 347.270 2.309 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCC[C@@H](C)C2)oc1C(=O)[O-] ZINC001600298015 1350013938 /nfs/dbraw/zinc/01/39/38/1350013938.db2.gz XXWUKPZNQDEJNN-MWLCHTKSSA-N -2 0 343.401 2.308 20 0 EEADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)NC(C)(C)CCC(=O)[O-])n2)c1 ZINC001600426089 1350048103 /nfs/dbraw/zinc/04/81/03/1350048103.db2.gz IHGJCEVFFLBPGB-UHFFFAOYSA-N -2 0 349.362 2.399 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cc(O)ccc2C(=O)[O-])cnc1Cl ZINC001607708239 1351544028 /nfs/dbraw/zinc/54/40/28/1351544028.db2.gz KGOCPSQHRUXOOQ-UHFFFAOYSA-N -2 0 342.760 2.248 20 0 EEADRL O=C([O-])[C@@H]1CCN(C(=O)c2cc(F)ccc2O)[C@H]([C@H]2CCCO2)C1 ZINC001608632946 1351730221 /nfs/dbraw/zinc/73/02/21/1351730221.db2.gz HJVGPKHVAYLPKJ-RIEGTJTDSA-N -2 0 337.347 2.016 20 0 EEADRL O=C([O-])[C@@H]1C[C@H]1c1ccc(N2C(=O)N[C@H](CC(F)(F)F)C2=O)cc1 ZINC001608814518 1351769864 /nfs/dbraw/zinc/76/98/64/1351769864.db2.gz XCYCXCXPBOHPIX-HBNTYKKESA-N -2 0 342.273 2.252 20 0 EEADRL O=C([O-])[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)c2cccc(F)c2[O-])C1 ZINC001608822911 1351771927 /nfs/dbraw/zinc/77/19/27/1351771927.db2.gz MSLWIISNKRMDAZ-JGVFFNPUSA-N -2 0 335.253 2.257 20 0 EEADRL C/C(=C/C(C)(C)C)C(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001609497908 1351999331 /nfs/dbraw/zinc/99/93/31/1351999331.db2.gz OXEAATFOKLUYOX-KTKRTIGZSA-N -2 0 340.401 2.150 20 0 EEADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccccc1Oc1ccccc1 ZINC001609642740 1352048906 /nfs/dbraw/zinc/04/89/06/1352048906.db2.gz CFFCIRBXYPVCBD-LLVKDONJSA-N -2 0 349.364 2.012 20 0 EEADRL C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C[C@H]1C ZINC001609844550 1352099480 /nfs/dbraw/zinc/09/94/80/1352099480.db2.gz HYORPLFDBSDELN-OPRDCNLKSA-N -2 0 345.442 2.324 20 0 EEADRL CCC[C@@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001609958565 1352130686 /nfs/dbraw/zinc/13/06/86/1352130686.db2.gz BTFOSAZEIVWBON-MNOVXSKESA-N -2 0 343.401 2.308 20 0 EEADRL CCCCn1ncc(NS(=O)(=O)CC2(C(=O)[O-])CCCC2)c1C ZINC001609973319 1352133076 /nfs/dbraw/zinc/13/30/76/1352133076.db2.gz MCDXIAIPGYPXED-UHFFFAOYSA-N -2 0 343.449 2.378 20 0 EEADRL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])cs1 ZINC001610072425 1352155475 /nfs/dbraw/zinc/15/54/75/1352155475.db2.gz DNOXHRRFVRMEKQ-UHFFFAOYSA-N -2 0 343.430 2.105 20 0 EEADRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001610338014 1352207545 /nfs/dbraw/zinc/20/75/45/1352207545.db2.gz UBFXYMCBDHMIHN-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL Cc1[nH]c(C([O-])=CS(=O)(=O)c2ccccc2F)c(C)c1C(=O)[O-] ZINC001610400997 1352216937 /nfs/dbraw/zinc/21/69/37/1352216937.db2.gz XQPRKFMGCQTXGG-UHFFFAOYSA-N -2 0 339.344 2.125 20 0 EEADRL O=C([O-])CCc1ccc(NC(=O)C(=O)[N-]OC2CCCCC2)cc1 ZINC001610777419 1352272951 /nfs/dbraw/zinc/27/29/51/1352272951.db2.gz KBBPDAHIXSUSPY-UHFFFAOYSA-N -2 0 334.372 2.023 20 0 EEADRL Cc1c(NC(=O)C[C@@]2(C(=O)[O-])CCSC2)ccc(F)c1C(=O)[O-] ZINC001600032633 1349958509 /nfs/dbraw/zinc/95/85/09/1349958509.db2.gz DRYPHULXZLUBGF-HNNXBMFYSA-N -2 0 341.360 2.369 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccnn2C2CCC2)sc1C(=O)[O-] ZINC001600283830 1350010468 /nfs/dbraw/zinc/01/04/68/1350010468.db2.gz CRIYQDARGBKDSU-UHFFFAOYSA-N -2 0 341.414 2.477 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2c3c(nn2C)CCCC3)c(C(=O)[O-])c1 ZINC001600463635 1350057849 /nfs/dbraw/zinc/05/78/49/1350057849.db2.gz CGZPSOBLGXMJKP-UHFFFAOYSA-N -2 0 349.412 2.106 20 0 EEADRL Cc1ccccc1[C@@H](C)CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001600568895 1350085269 /nfs/dbraw/zinc/08/52/69/1350085269.db2.gz OUZCYGQFOMPCMY-LBPRGKRZSA-N -2 0 341.429 2.045 20 0 EEADRL Cc1c(Cl)c(C(=O)[O-])sc1S(=O)(=O)[N-]c1cnc(C)cn1 ZINC001600625283 1350100609 /nfs/dbraw/zinc/10/06/09/1350100609.db2.gz DRQVMAMSTZLYEU-UHFFFAOYSA-N -2 0 347.805 2.307 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2nccn2-c2ccccc2)cc1C(=O)[O-] ZINC001600857082 1350153785 /nfs/dbraw/zinc/15/37/85/1350153785.db2.gz SEBRQWKREJSYBO-UHFFFAOYSA-N -2 0 347.352 2.273 20 0 EEADRL O=C([O-])[C@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)c1cccc(O)c1 ZINC001601395927 1350273714 /nfs/dbraw/zinc/27/37/14/1350273714.db2.gz CBFWBUMTDGSYGK-CYBMUJFWSA-N -2 0 344.348 2.378 20 0 EEADRL O=C([O-])C1CC2(C1)CN(c1nccc3ccccc31)C[C@@H]2C(=O)[O-] ZINC001601779368 1350363385 /nfs/dbraw/zinc/36/33/85/1350363385.db2.gz GRDRGSGTCIITJO-HZEYSBKDSA-N -2 0 326.352 2.237 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)Nc2cc(F)cc(Cl)c2)C1 ZINC001601792105 1350365312 /nfs/dbraw/zinc/36/53/12/1350365312.db2.gz GBTXHSUUTAQEQT-CPCISQLKSA-N -2 0 344.726 2.261 20 0 EEADRL O=C([O-])[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)Nc1ccc(Cl)cc1 ZINC001601824268 1350373211 /nfs/dbraw/zinc/37/32/11/1350373211.db2.gz SCKWDFWHHAECQH-GZMMTYOYSA-N -2 0 326.736 2.122 20 0 EEADRL O=C([O-])[C@@H]1Cc2ccc(O)cc2CN1C(=O)c1ccc(Cl)c([O-])c1 ZINC001601865286 1350384927 /nfs/dbraw/zinc/38/49/27/1350384927.db2.gz KPLHNBFAMPLTGS-AWEZNQCLSA-N -2 0 347.754 2.403 20 0 EEADRL O=C([O-])C[C@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)c2ccccc21 ZINC001601962240 1350406458 /nfs/dbraw/zinc/40/64/58/1350406458.db2.gz QZRSTFIXYKRPOR-VIFPVBQESA-N -2 0 339.307 2.147 20 0 EEADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2cnc(Cl)cn2)c1 ZINC001602264387 1350481188 /nfs/dbraw/zinc/48/11/88/1350481188.db2.gz KCQLGQULMNVOOD-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL O=C([O-])c1cc2ccccc2cc1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC001602304536 1350488979 /nfs/dbraw/zinc/48/89/79/1350488979.db2.gz WFVRZBZECWIEMW-UONOGXRCSA-N -2 0 329.308 2.109 20 0 EEADRL O=C([O-])c1ccccc1NS(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001602472503 1350526731 /nfs/dbraw/zinc/52/67/31/1350526731.db2.gz GLFKMLZANQTEKA-UHFFFAOYSA-N -2 0 341.385 2.162 20 0 EEADRL C[C@@H](NC(=O)c1ccc(F)cc1[O-])c1ccc(OCC(=O)[O-])cc1 ZINC001604312031 1350913228 /nfs/dbraw/zinc/91/32/28/1350913228.db2.gz SLJLRNSVBSIIFH-SNVBAGLBSA-N -2 0 333.315 2.486 20 0 EEADRL C[C@H]1CCCC[C@H]1CC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001604723410 1350991695 /nfs/dbraw/zinc/99/16/95/1350991695.db2.gz ANDXSEFBKCTISM-RYUDHWBXSA-N -2 0 339.413 2.406 20 0 EEADRL CCN1CCc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)cc21 ZINC001605485500 1351168811 /nfs/dbraw/zinc/16/88/11/1351168811.db2.gz ISROKXXQYDAWSF-UHFFFAOYSA-N -2 0 336.369 2.161 20 0 EEADRL CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)nc1 ZINC001605821861 1351228977 /nfs/dbraw/zinc/22/89/77/1351228977.db2.gz YYUHYEFDIVTQNW-UHFFFAOYSA-N -2 0 336.369 2.152 20 0 EEADRL CCc1ccccc1S(=O)(=O)[N-]C(=O)c1cccc(C(=O)[O-])c1 ZINC001605835683 1351232346 /nfs/dbraw/zinc/23/23/46/1351232346.db2.gz BNPOAVKHSDUPNA-UHFFFAOYSA-N -2 0 333.365 2.066 20 0 EEADRL COc1cc(S(=O)(=O)[N-]c2cc(C(C)C)[nH]n2)ccc1C(=O)[O-] ZINC001607189469 1351446107 /nfs/dbraw/zinc/44/61/07/1351446107.db2.gz BZLWERJQGRZELU-UHFFFAOYSA-N -2 0 339.373 2.041 20 0 EEADRL Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001607717530 1351545605 /nfs/dbraw/zinc/54/56/05/1351545605.db2.gz OOOOIELUVSGXNU-NWDGAFQWSA-N -2 0 344.371 2.315 20 0 EEADRL Cc1[nH]c(C([O-])=CS(=O)(=O)Cc2ccccc2C)c(C)c1C(=O)[O-] ZINC001607882647 1351578318 /nfs/dbraw/zinc/57/83/18/1351578318.db2.gz FQCOPQATAWYVGD-UHFFFAOYSA-N -2 0 349.408 2.436 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)ncn3C)c1C(=O)[O-] ZINC001608043665 1351612509 /nfs/dbraw/zinc/61/25/09/1351612509.db2.gz ZWKRJVWGYQFXBK-UHFFFAOYSA-N -2 0 349.368 2.282 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)no1 ZINC001193965781 1368483995 /nfs/dbraw/zinc/48/39/95/1368483995.db2.gz UFLREORGQBUYDV-UHFFFAOYSA-N -2 0 334.712 2.275 20 0 EEADRL Cc1cc(C)c(/C=C\C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1C ZINC000910184051 786515689 /nfs/dbraw/zinc/51/56/89/786515689.db2.gz PXWBOVASFLIFOM-KMZHTNPJSA-N -2 0 345.395 2.401 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cccc3ccsc32)C1 ZINC000910183486 786515731 /nfs/dbraw/zinc/51/57/31/786515731.db2.gz BURHXRFGMMUHEX-ZYHUDNBSSA-N -2 0 333.365 2.291 20 0 EEADRL CC(C)(C)c1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1 ZINC000910185355 786517784 /nfs/dbraw/zinc/51/77/84/786517784.db2.gz IAZBUJUREBASRF-TZMCWYRMSA-N -2 0 333.384 2.374 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)Cc2ccc3ccccc3c2)C1 ZINC000910191164 786523086 /nfs/dbraw/zinc/52/30/86/786523086.db2.gz YAXVQSPDLOSTQA-CVEARBPZSA-N -2 0 341.363 2.159 20 0 EEADRL Cc1cccc2[nH]c(NC(=O)c3cc(S(=O)(=O)[O-])ccc3[O-])nc21 ZINC001148915720 792782675 /nfs/dbraw/zinc/78/26/75/792782675.db2.gz ZWFJXEMRHTZLBL-UHFFFAOYSA-N -2 0 347.352 2.076 20 0 EEADRL Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1N ZINC001175320060 798075222 /nfs/dbraw/zinc/07/52/22/798075222.db2.gz NEYMFMHWSGAHMX-UHFFFAOYSA-N -2 0 341.776 2.003 20 0 EEADRL COC(=O)c1ccc(OC)nc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176237414 798390262 /nfs/dbraw/zinc/39/02/62/798390262.db2.gz GSQFBAMVQHWAMM-UHFFFAOYSA-N -2 0 346.295 2.017 20 0 EEADRL Nc1ccc2[nH]c(=S)n(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2c1 ZINC001176244598 798393223 /nfs/dbraw/zinc/39/32/23/798393223.db2.gz MZNVYFGQIUHGNM-UHFFFAOYSA-N -2 0 329.337 2.293 20 0 EEADRL O=C([O-])Cn1cc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)cn1 ZINC001176271588 798414220 /nfs/dbraw/zinc/41/42/20/798414220.db2.gz XFXSDQOKGOJNML-UHFFFAOYSA-N -2 0 347.352 2.111 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cn3ccccc3n2)cc1C(=O)[O-] ZINC001184668015 802126613 /nfs/dbraw/zinc/12/66/13/802126613.db2.gz PQTBAWXAPWGKIS-UHFFFAOYSA-N -2 0 331.353 2.142 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2ncc(C)cc2C)cc1C(=O)[O-] ZINC001185269578 802429778 /nfs/dbraw/zinc/42/97/78/802429778.db2.gz PABNFHDFGVCHOS-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL COc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])nc2)c(C)c1 ZINC000391360535 972330916 /nfs/dbraw/zinc/33/09/16/972330916.db2.gz NSSGNZVSHTZEMO-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL O=C([O-])c1cncc(NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])c1 ZINC001606546390 970313899 /nfs/dbraw/zinc/31/38/99/970313899.db2.gz OJDJAPYULCIYKN-UHFFFAOYSA-N -2 0 342.286 2.063 20 0 EEADRL O=Cc1ccc(-c2ccc(C(=O)Nc3c[nH]nc3C(=O)[O-])c([O-])c2)o1 ZINC001606568136 970374428 /nfs/dbraw/zinc/37/44/28/970374428.db2.gz XDYFVLIPEOFDCC-UHFFFAOYSA-N -2 0 341.279 2.138 20 0 EEADRL O=C([O-])CCCC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC001606136847 973387381 /nfs/dbraw/zinc/38/73/81/973387381.db2.gz KHFGSLWMEGWGAQ-UHFFFAOYSA-N -2 0 339.344 2.039 20 0 EEADRL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000779460497 978783934 /nfs/dbraw/zinc/78/39/34/978783934.db2.gz QIFOWJHOTSMXOB-UHFFFAOYSA-N -2 0 349.290 2.294 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cccc3c2OCO3)c1 ZINC000782261474 978792624 /nfs/dbraw/zinc/79/26/24/978792624.db2.gz MBAWCNUXCVZHAT-UHFFFAOYSA-N -2 0 339.300 2.053 20 0 EEADRL CCC(CC)CC(=O)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001595110089 979451731 /nfs/dbraw/zinc/45/17/31/979451731.db2.gz XSBJXEYADVCTAB-UHFFFAOYSA-N -2 0 345.392 2.084 20 0 EEADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)c1F ZINC000871962515 980013240 /nfs/dbraw/zinc/01/32/40/980013240.db2.gz DEBLQHGHMKXQQX-LURJTMIESA-N -2 0 329.271 2.061 20 0 EEADRL CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)CCCC(=O)[O-] ZINC001595747892 982416023 /nfs/dbraw/zinc/41/60/23/982416023.db2.gz LTRWKPOXPBLGOD-UHFFFAOYSA-N -2 0 343.401 2.186 20 0 EEADRL CCCn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1C1CC1 ZINC001596120290 983454036 /nfs/dbraw/zinc/45/40/36/983454036.db2.gz HTKKLECQOCSJGL-UHFFFAOYSA-N -2 0 339.373 2.263 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])cn1 ZINC001597137658 986877592 /nfs/dbraw/zinc/87/75/92/986877592.db2.gz PAMUPVBSXDJGRP-UHFFFAOYSA-N -2 0 328.371 2.041 20 0 EEADRL CCc1ccc(NC(=O)N2C[C@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)cc1 ZINC001597548753 988265981 /nfs/dbraw/zinc/26/59/81/988265981.db2.gz ZRJWLUMOQNVDRS-HZEYSBKDSA-N -2 0 346.383 2.278 20 0 EEADRL C[C@@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593161599 993993979 /nfs/dbraw/zinc/99/39/79/993993979.db2.gz FCDQBRYFHVBJQV-FRGOSKEBSA-N -2 0 335.356 2.243 20 0 EEADRL COc1cccc([C@@H](C(=O)[O-])N(C)C(=O)c2cccc(F)c2[O-])c1 ZINC001599648180 994455108 /nfs/dbraw/zinc/45/51/08/994455108.db2.gz KCGNCCGNIARGRH-AWEZNQCLSA-N -2 0 333.315 2.438 20 0 EEADRL COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC001598966924 998438788 /nfs/dbraw/zinc/43/87/88/998438788.db2.gz UYDOUQGMMFQKNR-UHFFFAOYSA-N -2 0 337.328 2.001 20 0 EEADRL CO[C@@H](CS(=O)(=O)[N-]c1nc(C(=O)[O-])c(C2CC2)s1)C(C)C ZINC001599059573 999255662 /nfs/dbraw/zinc/25/56/62/999255662.db2.gz PDUNLVDIRVTUSM-VIFPVBQESA-N -2 0 348.446 2.131 20 0 EEADRL Cc1nc(N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)sc1C(=O)[O-] ZINC001550695861 1122033879 /nfs/dbraw/zinc/03/38/79/1122033879.db2.gz FZEAYASYWNAREN-RYUDHWBXSA-N -2 0 332.381 2.454 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cn(CC(C)C)cn2)cc(C(=O)[O-])c1 ZINC000285245971 539720806 /nfs/dbraw/zinc/72/08/06/539720806.db2.gz ZIJLDVKEUBPWIJ-UHFFFAOYSA-N -2 0 337.401 2.347 20 0 EEADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000079705377 217248847 /nfs/dbraw/zinc/24/88/47/217248847.db2.gz DNDUYRALYYNHIU-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000079701356 217249274 /nfs/dbraw/zinc/24/92/74/217249274.db2.gz SEYZTHPWJQDTSN-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000262954240 152344452 /nfs/dbraw/zinc/34/44/52/152344452.db2.gz PDKVERLGANBKGX-UHFFFAOYSA-N -2 0 349.412 2.246 20 0 EEADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc3ncccc32)c1O ZINC000392410932 312440520 /nfs/dbraw/zinc/44/05/20/312440520.db2.gz OVDLFQSYRCFWFR-UHFFFAOYSA-N -2 0 344.348 2.439 20 0 EEADRL CCCCOc1ccc(C(=O)N=c2nc(COC)[n-]s2)c([O-])c1 ZINC000436989839 315021085 /nfs/dbraw/zinc/02/10/85/315021085.db2.gz SMUABIRVTXZXPQ-UHFFFAOYSA-N -2 0 337.401 2.243 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000519714178 316815397 /nfs/dbraw/zinc/81/53/97/316815397.db2.gz LUAYYIVHIVJTHP-CYBMUJFWSA-N -2 0 343.383 2.077 20 0 EEADRL Cc1noc(C)c1S(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1F ZINC000547568123 318300303 /nfs/dbraw/zinc/30/03/03/318300303.db2.gz LAQGHRNMPGNQJK-UHFFFAOYSA-N -2 0 332.284 2.069 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)cc1C(=O)[O-] ZINC000024425309 463084711 /nfs/dbraw/zinc/08/47/11/463084711.db2.gz REIXGDZWBDTJNC-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000054294707 463225168 /nfs/dbraw/zinc/22/51/68/463225168.db2.gz YRNGQMYLICRKJM-UHFFFAOYSA-N -2 0 339.344 2.262 20 0 EEADRL CCS(=O)(=O)[N-]c1ccccc1S(=O)(=O)[N-]c1ccccc1 ZINC000193338367 463707662 /nfs/dbraw/zinc/70/76/62/463707662.db2.gz JPCKNBXXMNFSAE-UHFFFAOYSA-N -2 0 340.426 2.249 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000357404043 466009552 /nfs/dbraw/zinc/00/95/52/466009552.db2.gz VQNHKXHJFRMJND-UHFFFAOYSA-N -2 0 349.364 2.121 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)[nH]n1 ZINC000340578663 466182771 /nfs/dbraw/zinc/18/27/71/466182771.db2.gz OLXDYLFEDLEMRW-UHFFFAOYSA-N -2 0 349.290 2.236 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)cs1 ZINC000315648866 466562812 /nfs/dbraw/zinc/56/28/12/466562812.db2.gz BGOCOOWVKCWORE-UHFFFAOYSA-N -2 0 345.329 2.084 20 0 EEADRL CC(C)n1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)n1 ZINC000318863163 466592147 /nfs/dbraw/zinc/59/21/47/466592147.db2.gz IWCTXJLFOQZFRN-UHFFFAOYSA-N -2 0 327.337 2.102 20 0 EEADRL CCc1cnc(CNS(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])s1 ZINC000319001625 466593057 /nfs/dbraw/zinc/59/30/57/466593057.db2.gz PYPUKQRSEHQJLX-UHFFFAOYSA-N -2 0 344.414 2.092 20 0 EEADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C(C)C)c1 ZINC000320090985 466602812 /nfs/dbraw/zinc/60/28/12/466602812.db2.gz CYSFBOMTOSXTLV-UHFFFAOYSA-N -2 0 341.364 2.411 20 0 EEADRL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000401351845 467459483 /nfs/dbraw/zinc/45/94/83/467459483.db2.gz XWFAVUKTOYSDTA-SNVBAGLBSA-N -2 0 339.335 2.272 20 0 EEADRL CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)cc1 ZINC000436780554 467554091 /nfs/dbraw/zinc/55/40/91/467554091.db2.gz DPWMIIMNWWPSPI-UHFFFAOYSA-N -2 0 349.364 2.402 20 0 EEADRL C[C@@H](CC[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)CC(=O)[O-] ZINC000650412826 470874050 /nfs/dbraw/zinc/87/40/50/470874050.db2.gz HSTVEJRYCURFCS-LURJTMIESA-N -2 0 343.298 2.022 20 0 EEADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000673884913 485569230 /nfs/dbraw/zinc/56/92/30/485569230.db2.gz LJLDLELGHRXNTE-UHFFFAOYSA-N -2 0 339.373 2.041 20 0 EEADRL Cc1ccc(-n2[n-]c(C(=O)Nc3cccc(C(=O)[O-])c3)cc2=O)cc1 ZINC000738493858 578017203 /nfs/dbraw/zinc/01/72/03/578017203.db2.gz HCGFZROCEOCLPK-UHFFFAOYSA-N -2 0 337.335 2.425 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2cccc3ncccc32)sc1C(=O)[O-] ZINC000738363033 576347298 /nfs/dbraw/zinc/34/72/98/576347298.db2.gz AHDQRSDOEBJRKJ-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL COCc1cccc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])c1 ZINC000737835143 577005798 /nfs/dbraw/zinc/00/57/98/577005798.db2.gz TZLUHRWSBMCINO-UHFFFAOYSA-N -2 0 327.383 2.394 20 0 EEADRL COCc1ccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cc1 ZINC000767190627 577532180 /nfs/dbraw/zinc/53/21/80/577532180.db2.gz WLFCPWOWRQXCJA-UHFFFAOYSA-N -2 0 340.339 2.143 20 0 EEADRL COc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cnc1Cl ZINC000767438368 577537035 /nfs/dbraw/zinc/53/70/35/577537035.db2.gz IKHSWGCNOJIOIT-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2O)cc(F)c1F ZINC000759165287 577638273 /nfs/dbraw/zinc/63/82/73/577638273.db2.gz HAVNAYIZOPNBKZ-UHFFFAOYSA-N -2 0 347.270 2.309 20 0 EEADRL CCc1ncc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])c(F)c2)s1 ZINC000763373825 577720163 /nfs/dbraw/zinc/72/01/63/577720163.db2.gz LROUKCVXYFPNIH-UHFFFAOYSA-N -2 0 348.352 2.483 20 0 EEADRL O=C([O-])CC1CCN(C(=O)c2nn(-c3ccccc3F)cc2[O-])CC1 ZINC000738562414 578019514 /nfs/dbraw/zinc/01/95/14/578019514.db2.gz DFPCNAFYXNDKRX-UHFFFAOYSA-N -2 0 347.346 2.044 20 0 EEADRL Cc1ccc(F)c(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000738604362 578020957 /nfs/dbraw/zinc/02/09/57/578020957.db2.gz QFOVGEUKVFRBHY-UHFFFAOYSA-N -2 0 343.357 2.013 20 0 EEADRL O=C([O-])c1cc(NC(=O)c2n[n-]c3ccccc3c2=O)ccc1F ZINC000740088437 578080362 /nfs/dbraw/zinc/08/03/62/578080362.db2.gz HWIILBANINAJFT-UHFFFAOYSA-N -2 0 327.271 2.425 20 0 EEADRL O=C([O-])c1cccc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1 ZINC000740227744 578086392 /nfs/dbraw/zinc/08/63/92/578086392.db2.gz SFXHXSKXHJTYPC-UHFFFAOYSA-N -2 0 339.300 2.023 20 0 EEADRL COc1cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c(C(=O)[O-])cc1OC ZINC000832022236 600669279 /nfs/dbraw/zinc/66/92/79/600669279.db2.gz MMQNOOZBIWPWEM-ZJUUUORDSA-N -2 0 349.339 2.008 20 0 EEADRL CC(C)Cn1cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])cn1 ZINC000826918144 600687371 /nfs/dbraw/zinc/68/73/71/600687371.db2.gz XCQITFVZZXRXJP-UHFFFAOYSA-N -2 0 341.364 2.177 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2cccc(F)c2C)sc1C(=O)[O-] ZINC000833003152 600977492 /nfs/dbraw/zinc/97/74/92/600977492.db2.gz ONFDGXCZUKAMRU-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL CCn1nc(C)c([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1C ZINC000830440750 601333042 /nfs/dbraw/zinc/33/30/42/601333042.db2.gz HDGOWHVIHIZSMU-YFHOEESVSA-N -2 0 349.412 2.418 20 0 EEADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc2scnc2c1 ZINC000833345855 601840238 /nfs/dbraw/zinc/84/02/38/601840238.db2.gz GSAAXONLLHATOS-UHFFFAOYSA-N -2 0 341.395 2.252 20 0 EEADRL CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n[nH]1 ZINC000829216577 602102424 /nfs/dbraw/zinc/10/24/24/602102424.db2.gz OUVVPNCITPGBKS-VIFPVBQESA-N -2 0 340.405 2.151 20 0 EEADRL CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)cc1 ZINC000825957678 602115262 /nfs/dbraw/zinc/11/52/62/602115262.db2.gz YWCNKLDNBXOOFT-UHFFFAOYSA-N -2 0 325.367 2.450 20 0 EEADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000833346606 602156577 /nfs/dbraw/zinc/15/65/77/602156577.db2.gz LTWPDZRFVBOOGU-UHFFFAOYSA-N -2 0 341.395 2.252 20 0 EEADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000833741347 605126601 /nfs/dbraw/zinc/12/66/01/605126601.db2.gz IRFWVQULOAOIHD-UHFFFAOYSA-N -2 0 329.403 2.333 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)nc1 ZINC000833733652 605135080 /nfs/dbraw/zinc/13/50/80/605135080.db2.gz WORUORWRLCUWPX-UHFFFAOYSA-N -2 0 348.380 2.007 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccccc2-c2ccno2)c(C(=O)[O-])[nH]1 ZINC000833746750 605525308 /nfs/dbraw/zinc/52/53/08/605525308.db2.gz HQJQWMXXGIZXHI-UHFFFAOYSA-N -2 0 347.352 2.477 20 0 EEADRL CCCCS(=O)(=O)[N-]C(=O)CCc1c(C)nc(SC)[nH]c1=O ZINC000048553722 676228011 /nfs/dbraw/zinc/22/80/11/676228011.db2.gz RJDZFTKBYAARMG-UHFFFAOYSA-N -2 0 347.462 2.232 20 0 EEADRL C[C@@H](CN(C(=O)c1nn(-c2cccc(F)c2)cc1[O-])C1CC1)C(=O)[O-] ZINC000909456247 684068858 /nfs/dbraw/zinc/06/88/58/684068858.db2.gz DBCOGVGYGRJYJG-JTQLQIEISA-N -2 0 347.346 2.042 20 0 EEADRL CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC000863961826 1197937731 /nfs/dbraw/zinc/93/77/31/1197937731.db2.gz BLPSKENMUSQKEB-LRDDRELGSA-N -2 0 339.413 2.085 20 0 EEADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000871973451 1197998738 /nfs/dbraw/zinc/99/87/38/1197998738.db2.gz XGCQHJYDJCKIOL-HDBBIHSSSA-N -2 0 331.340 2.130 20 0 EEADRL O=Cc1cc(-c2ccccc2[C@H](O)CC(=O)[O-])ccc1OCC(=O)[O-] ZINC000874969074 1199089718 /nfs/dbraw/zinc/08/97/18/1199089718.db2.gz BGSBUMIMSMBLIP-OAHLLOKOSA-N -2 0 344.319 2.138 20 0 EEADRL CC(C)[C@]1(C)C[C@@H]1C(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000188256185 1208663967 /nfs/dbraw/zinc/66/39/67/1208663967.db2.gz AUXBBCNWOIQWGC-ACJLOTCBSA-N -2 0 342.399 2.021 20 0 EEADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ncc(F)s2)c1 ZINC001187545557 1279578543 /nfs/dbraw/zinc/57/85/43/1279578543.db2.gz OQYIOIGGHPRXPG-UHFFFAOYSA-N -2 0 336.753 2.435 20 0 EEADRL COc1ccc(NC(=O)c2ccccc2OP(=O)([O-])[O-])c(C)n1 ZINC001189860776 1280522795 /nfs/dbraw/zinc/52/27/95/1280522795.db2.gz NLRLKENARGVQMO-UHFFFAOYSA-N -2 0 338.256 2.122 20 0 EEADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cnn3ccccc23)cc1 ZINC001192114345 1281804424 /nfs/dbraw/zinc/80/44/24/1281804424.db2.gz VNIDKPMCMNJGPO-UHFFFAOYSA-N -2 0 345.380 2.152 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cccnc1OC(F)F ZINC001198746754 1285316442 /nfs/dbraw/zinc/31/64/42/1285316442.db2.gz KRXCQEPKWJHTHB-UHFFFAOYSA-N -2 0 344.295 2.182 20 0 EEADRL COc1ccncc1-c1noc(-c2ccccc2OP(=O)([O-])[O-])n1 ZINC001216746514 1297274596 /nfs/dbraw/zinc/27/45/96/1297274596.db2.gz WPKVAHHLGZIHFZ-UHFFFAOYSA-N -2 0 349.239 2.279 20 0 EEADRL CCOC(=O)[C@H]1CC[C@H](Oc2ccc(OP(=O)([O-])[O-])cc2)C1 ZINC001234337171 1304885459 /nfs/dbraw/zinc/88/54/59/1304885459.db2.gz XYMTVPHEQYJLIS-GWCFXTLKSA-N -2 0 330.273 2.269 20 0 EEADRL COc1nccc2c(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)ncnc21 ZINC001242159886 1309622305 /nfs/dbraw/zinc/62/23/05/1309622305.db2.gz VLNWZNFQWOPUEG-UHFFFAOYSA-N -2 0 325.280 2.097 20 0 EEADRL CCOC(=O)Cc1cccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242163510 1309624264 /nfs/dbraw/zinc/62/42/64/1309624264.db2.gz ZWALYDDDSTTZII-UHFFFAOYSA-N -2 0 329.308 2.251 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cc(F)cc(-c3nn[nH]n3)c2)c1 ZINC001242163741 1309624884 /nfs/dbraw/zinc/62/48/84/1309624884.db2.gz JBNIZBNZEOMKKB-UHFFFAOYSA-N -2 0 328.259 2.069 20 0 EEADRL CON(C)C(=O)c1ncc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1C ZINC001242164011 1309625231 /nfs/dbraw/zinc/62/52/31/1309625231.db2.gz XCIHZHFKRRBOPW-UHFFFAOYSA-N -2 0 344.323 2.087 20 0 EEADRL Cc1cn2c(cccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 ZINC001260208596 1319831984 /nfs/dbraw/zinc/83/19/84/1319831984.db2.gz RNJCQKYGAMMWCZ-UHFFFAOYSA-N -2 0 349.343 2.281 20 0 EEADRL Cc1c(F)ccc([N-]S(=O)(=O)c2cn(C(C)C)cn2)c1C(=O)[O-] ZINC000842587619 1315726882 /nfs/dbraw/zinc/72/68/82/1315726882.db2.gz DVQJDLXXRVQPGV-UHFFFAOYSA-N -2 0 341.364 2.411 20 0 EEADRL Cn1cnc2c1cccc2[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260228586 1319839182 /nfs/dbraw/zinc/83/91/82/1319839182.db2.gz NDLLVAAETPMTKA-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC001608038897 1351611866 /nfs/dbraw/zinc/61/18/66/1351611866.db2.gz WVIRTFGVWBYFBP-IUCAKERBSA-N -2 0 343.401 2.163 20 0 EEADRL O=C([O-])CCc1ccccc1C(=O)Nc1n[nH]c(-c2ccccn2)n1 ZINC001608740727 1351753333 /nfs/dbraw/zinc/75/33/33/1351753333.db2.gz PGZBJOAWHHSWPQ-UHFFFAOYSA-N -2 0 337.339 2.136 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)Oc2cc(Cl)cc(Cl)c2)[n-]n1 ZINC001608862933 1351780698 /nfs/dbraw/zinc/78/06/98/1351780698.db2.gz IWCBDIRVPUFXTJ-UHFFFAOYSA-N -2 0 337.140 2.182 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)cn1 ZINC001608913363 1351792267 /nfs/dbraw/zinc/79/22/67/1351792267.db2.gz HEVGUOIWDMFLFD-UHFFFAOYSA-N -2 0 345.336 2.236 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H](C2CCCC2)C(F)(F)F)c1 ZINC001608990918 1351809721 /nfs/dbraw/zinc/80/97/21/1351809721.db2.gz VUXZWPKSOYIAFS-JTQLQIEISA-N -2 0 341.307 2.377 20 0 EEADRL O=S(=O)([N-]c1cc(F)ccc1Cl)c1ccc(-c2nnn[n-]2)o1 ZINC001609595762 1352029794 /nfs/dbraw/zinc/02/97/94/1352029794.db2.gz FBFVWPNHPPRTBS-UHFFFAOYSA-N -2 0 343.727 2.053 20 0 EEADRL C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-])C1CCC1 ZINC001609635943 1352046748 /nfs/dbraw/zinc/04/67/48/1352046748.db2.gz JWOFPEQNRURVQM-MRVPVSSYSA-N -2 0 345.804 2.279 20 0 EEADRL C[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-])C1CC1 ZINC001609726433 1352070304 /nfs/dbraw/zinc/07/03/04/1352070304.db2.gz BLISWFFWVFMPJC-QMMMGPOBSA-N -2 0 345.804 2.279 20 0 EEADRL C[C@H](CS(=O)(=O)[N-]CC(F)(F)c1ccc(Cl)cc1)C(=O)[O-] ZINC001609751064 1352076414 /nfs/dbraw/zinc/07/64/14/1352076414.db2.gz VOEOEIWBWGYUIV-MRVPVSSYSA-N -2 0 341.763 2.072 20 0 EEADRL CC[C@@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001609899089 1352114299 /nfs/dbraw/zinc/11/42/99/1352114299.db2.gz BRWWUAALBKFFHY-MNOVXSKESA-N -2 0 327.402 2.013 20 0 EEADRL CCCCC[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])C(C)C ZINC001609964781 1352131539 /nfs/dbraw/zinc/13/15/39/1352131539.db2.gz MPFRGKMJTIOCAG-AVGNSLFASA-N -2 0 335.466 2.394 20 0 EEADRL CCOc1cccc(S(=O)(=O)[N-]c2csnc2C(=O)[O-])c1 ZINC001610046155 1352148969 /nfs/dbraw/zinc/14/89/69/1352148969.db2.gz KQPIQEVVJZCBTO-UHFFFAOYSA-N -2 0 328.371 2.041 20 0 EEADRL Cc1ccc(C2CC2)c(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])c1 ZINC001610497337 1352233635 /nfs/dbraw/zinc/23/36/35/1352233635.db2.gz LYEOCYANMGYKJM-QWRGUYRKSA-N -2 0 339.413 2.041 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)CC1CCCCCC1 ZINC001610581749 1352248711 /nfs/dbraw/zinc/24/87/11/1352248711.db2.gz RXXBULHGJVFKCE-UHFFFAOYSA-N -2 0 343.401 2.452 20 0 EEADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2noc(C3CC3)n2)c1 ZINC001610812838 1352279275 /nfs/dbraw/zinc/27/92/75/1352279275.db2.gz QOJBVQVNZQPGBV-UHFFFAOYSA-N -2 0 343.748 2.099 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)n[nH]c1C(C)C ZINC001600008879 1349954716 /nfs/dbraw/zinc/95/47/16/1349954716.db2.gz PORBKQQBVMCAME-UHFFFAOYSA-N -2 0 329.403 2.402 20 0 EEADRL Cc1cc(C(=O)[O-])oc1C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001600130461 1349976266 /nfs/dbraw/zinc/97/62/66/1349976266.db2.gz CRNHOXUGPNYFSN-GFCCVEGCSA-N -2 0 329.308 2.110 20 0 EEADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)N[C@@](C)(C(=O)[O-])C3CC3)n2)c1 ZINC001600426995 1350048704 /nfs/dbraw/zinc/04/87/04/1350048704.db2.gz QVBBEGQUUYTQPX-QGZVFWFLSA-N -2 0 347.346 2.009 20 0 EEADRL CC1N=NC(C(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)F)=C1[O-] ZINC001600666978 1350113642 /nfs/dbraw/zinc/11/36/42/1350113642.db2.gz LZPPTBXLWHXXSN-UHFFFAOYSA-N -2 0 341.270 2.018 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cc(C3CC3)nc(C)n2)ccc1C(=O)[O-] ZINC001600718527 1350120527 /nfs/dbraw/zinc/12/05/27/1350120527.db2.gz UAQDRHOGVMHJAL-UHFFFAOYSA-N -2 0 347.396 2.470 20 0 EEADRL Cc1oc(CNS(=O)(=O)c2cccc(Cl)c2[O-])cc1C(=O)[O-] ZINC001600854222 1350152584 /nfs/dbraw/zinc/15/25/84/1350152584.db2.gz DYAWRIMFDOURNF-UHFFFAOYSA-N -2 0 345.760 2.124 20 0 EEADRL O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC001601525279 1350300418 /nfs/dbraw/zinc/30/04/18/1350300418.db2.gz HUWGVURLUDJMCY-RFAUZJTJSA-N -2 0 349.770 2.418 20 0 EEADRL O=C([O-])C1CCN(C(=O)c2cc(Br)cc(F)c2[O-])CC1 ZINC001601825073 1350373805 /nfs/dbraw/zinc/37/38/05/1350373805.db2.gz WZAXRDPQKYVSOK-UHFFFAOYSA-N -2 0 346.152 2.231 20 0 EEADRL O=C([O-])CCC(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001601970766 1350407957 /nfs/dbraw/zinc/40/79/57/1350407957.db2.gz RXTOJFOSKYZICQ-HNNXBMFYSA-N -2 0 329.352 2.064 20 0 EEADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)n1 ZINC001602140465 1350449143 /nfs/dbraw/zinc/44/91/43/1350449143.db2.gz AMMWURXSKSHYGU-UHFFFAOYSA-N -2 0 344.751 2.302 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2noc3ccccc32)c1 ZINC001602365857 1350504832 /nfs/dbraw/zinc/50/48/32/1350504832.db2.gz DKWNWNHSQGHGRY-UHFFFAOYSA-N -2 0 336.300 2.466 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)c2ccc(Cl)cc2)c1 ZINC001602451807 1350522304 /nfs/dbraw/zinc/52/23/04/1350522304.db2.gz NMSGZFZIMLUFKG-UHFFFAOYSA-N -2 0 339.756 2.157 20 0 EEADRL CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(OCC(=O)[O-])cc2)C1 ZINC001603252366 1350672341 /nfs/dbraw/zinc/67/23/41/1350672341.db2.gz ARTLIODYHCCBRH-ZDUSSCGKSA-N -2 0 349.383 2.113 20 0 EEADRL CC(C)(C)c1ncc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cn1 ZINC001603557752 1350719809 /nfs/dbraw/zinc/71/98/09/1350719809.db2.gz KDJRCZLYKMDGDL-UHFFFAOYSA-N -2 0 335.385 2.273 20 0 EEADRL CC(C)C[C@@H](NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-])C(=O)[O-] ZINC001603832658 1350778689 /nfs/dbraw/zinc/77/86/89/1350778689.db2.gz BRHJRTNQEIKWDP-CMPLNLGQSA-N -2 0 339.413 2.481 20 0 EEADRL C[C@@H](S[C@@H](C)C(=O)Nc1cc(F)cc(C(=O)[O-])c1F)C(=O)[O-] ZINC001604449369 1350940282 /nfs/dbraw/zinc/94/02/82/1350940282.db2.gz QLVDUIHNOSXHRA-NTSWFWBYSA-N -2 0 333.312 2.196 20 0 EEADRL Cc1cncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)n1 ZINC001193965006 1368483541 /nfs/dbraw/zinc/48/35/41/1368483541.db2.gz KEJOMZPXWBESJA-UHFFFAOYSA-N -2 0 345.739 2.077 20 0 EEADRL O=P([O-])([O-])OCCNc1nnc(Cl)c2c1C1CCC2CC1 ZINC001168586274 790520857 /nfs/dbraw/zinc/52/08/57/790520857.db2.gz HETOSYHQAMSGTM-UHFFFAOYSA-N -2 0 333.712 2.406 20 0 EEADRL O=[P@@]([O-])(O)C1(N=c2cccc(Cl)n2F)Cc2ccccc2C1 ZINC001167934772 780990927 /nfs/dbraw/zinc/99/09/27/780990927.db2.gz VIPUVEBWZOMVAU-UHFFFAOYSA-N -2 0 342.694 2.448 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)CC[C@H]2CCc3ccccc32)C1 ZINC000910182109 786514448 /nfs/dbraw/zinc/51/44/48/786514448.db2.gz ICGJVJNZGUOOLC-FMKPAKJESA-N -2 0 345.395 2.273 20 0 EEADRL Cc1cc(Cl)ccc1C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910181885 786514608 /nfs/dbraw/zinc/51/46/08/786514608.db2.gz DVOJHBZADLZMKX-SKDRFNHKSA-N -2 0 325.748 2.038 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000910184733 786516660 /nfs/dbraw/zinc/51/66/60/786516660.db2.gz FPLBRLVFNPISIR-CPCISQLKSA-N -2 0 346.166 2.383 20 0 EEADRL CC[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000844784130 789372440 /nfs/dbraw/zinc/37/24/40/789372440.db2.gz GWGFLJBMEJCHNU-ZCFIWIBFSA-N -2 0 327.736 2.007 20 0 EEADRL Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1ccc([O-])c(Cl)c1 ZINC001146298246 791182855 /nfs/dbraw/zinc/18/28/55/791182855.db2.gz BEDVDFLXIGZYJR-UHFFFAOYSA-N -2 0 346.774 2.341 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2cnc(Cl)nc2)ccc1[S-] ZINC001185050691 802302952 /nfs/dbraw/zinc/30/29/52/802302952.db2.gz MNOFBSGJUWOWQD-UHFFFAOYSA-N -2 0 331.806 2.228 20 0 EEADRL CCOc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000013346030 957033194 /nfs/dbraw/zinc/03/31/94/957033194.db2.gz ROQBTDQVWMWSHT-UHFFFAOYSA-N -2 0 337.353 2.290 20 0 EEADRL CCc1oncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000800844424 978848172 /nfs/dbraw/zinc/84/81/72/978848172.db2.gz YSTZOXMMDCVFJG-UHFFFAOYSA-N -2 0 328.321 2.184 20 0 EEADRL CCC/C(C)=C\C(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001595565191 981454733 /nfs/dbraw/zinc/45/47/33/981454733.db2.gz DPABSDSQJHCBHJ-FPLPWBNLSA-N -2 0 347.339 2.214 20 0 EEADRL CCc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])nn1C ZINC001597482354 987978710 /nfs/dbraw/zinc/97/87/10/987978710.db2.gz FVXYZDHJLAEGFY-UHFFFAOYSA-N -2 0 343.792 2.135 20 0 EEADRL CCc1ccc(NC(=O)[C@H](C)S[C@H](C)C(=O)[O-])c(C(=O)[O-])c1 ZINC001597542604 988231848 /nfs/dbraw/zinc/23/18/48/988231848.db2.gz DXGZWUQDTYAXLO-DTWKUNHWSA-N -2 0 325.386 2.481 20 0 EEADRL CC(C)(C)OC(=O)c1cc(C(=O)Nc2ccccc2CC(=O)[O-])n[n-]1 ZINC001590363326 989822327 /nfs/dbraw/zinc/82/23/27/989822327.db2.gz SWBYAHMVODGPAX-UHFFFAOYSA-N -2 0 345.355 2.244 20 0 EEADRL CC(C)[C@@H](C(=O)[O-])C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC001590956565 991027838 /nfs/dbraw/zinc/02/78/38/991027838.db2.gz GRODFIBOOCNWFP-SNVBAGLBSA-N -2 0 337.357 2.132 20 0 EEADRL COc1cc(CC(=O)[O-])ccc1-c1ccccc1[C@H](O)CC(=O)[O-] ZINC001599402203 997233848 /nfs/dbraw/zinc/23/38/48/997233848.db2.gz XDKHYTHQDCLYRR-OAHLLOKOSA-N -2 0 330.336 2.497 20 0 EEADRL COc1c(F)cc(F)cc1[N-]S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001599334632 997812665 /nfs/dbraw/zinc/81/26/65/997812665.db2.gz CNEPALAEFOTSEJ-UHFFFAOYSA-N -2 0 349.355 2.360 20 0 EEADRL CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001594299331 999155758 /nfs/dbraw/zinc/15/57/58/999155758.db2.gz XRPRVKYMQBLCLL-WOPDTQHZSA-N -2 0 344.433 2.360 20 0 EEADRL C[C@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001594363586 999372490 /nfs/dbraw/zinc/37/24/90/999372490.db2.gz HPPHMVPOXBOESB-DTWKUNHWSA-N -2 0 331.415 2.078 20 0 EEADRL C[C@@H]1CCN(C(=O)NCCCCCCCC(=O)[O-])C[C@H]1C(=O)[O-] ZINC001594403364 999512764 /nfs/dbraw/zinc/51/27/64/999512764.db2.gz UIBJMGGIJGZWFB-CHWSQXEVSA-N -2 0 328.409 2.164 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c(OC)c1 ZINC000056701327 214384829 /nfs/dbraw/zinc/38/48/29/214384829.db2.gz ABVSSIQJDSINSJ-UHFFFAOYSA-N -2 0 343.382 2.264 20 0 EEADRL Cc1cccc([C@@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-])c1C ZINC000275022788 539703584 /nfs/dbraw/zinc/70/35/84/539703584.db2.gz BFHRPTGAXVKQFF-GXSJLCMTSA-N -2 0 339.335 2.299 20 0 EEADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H](CCC(=O)[O-])c1ccccc1 ZINC000275377802 539704003 /nfs/dbraw/zinc/70/40/03/539704003.db2.gz ZJJXPSYZSOOVMF-GXSJLCMTSA-N -2 0 339.335 2.463 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2)cc1C(=O)[O-] ZINC000319798091 539751496 /nfs/dbraw/zinc/75/14/96/539751496.db2.gz IWCUMHKHCAOFDO-UHFFFAOYSA-N -2 0 336.369 2.210 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(CC(C)C)nc1 ZINC000355885208 153187519 /nfs/dbraw/zinc/18/75/19/153187519.db2.gz WECZVOYYYJEKAL-UHFFFAOYSA-N -2 0 349.412 2.483 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(F)c2F)cc1O ZINC000436768991 314996787 /nfs/dbraw/zinc/99/67/87/314996787.db2.gz JCHFJCDGSCDYDX-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL O=C([O-])c1ccn(-c2cccc(CN=c3nc(C4CC4)[n-]s3)c2)n1 ZINC000569609092 319593537 /nfs/dbraw/zinc/59/35/37/319593537.db2.gz SURGQWNCJMIDNF-UHFFFAOYSA-N -2 0 341.396 2.333 20 0 EEADRL Cc1ncc(-c2ccc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cc2)o1 ZINC000062639903 462622330 /nfs/dbraw/zinc/62/23/30/462622330.db2.gz MMHQWKSGUZDIOO-UHFFFAOYSA-N -2 0 347.352 2.477 20 0 EEADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)cc1C(=O)[O-] ZINC000590696131 468310662 /nfs/dbraw/zinc/31/06/62/468310662.db2.gz RPXALBHVGKZLED-UHFFFAOYSA-N -2 0 347.396 2.470 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cccc3nsnc32)ccc1C(=O)[O-] ZINC000066290449 462870925 /nfs/dbraw/zinc/87/09/25/462870925.db2.gz ZGOZGSHRCKFOBO-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL O=C([O-])[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1[O-])c1ccccc1 ZINC000029006797 463239899 /nfs/dbraw/zinc/23/98/99/463239899.db2.gz NFCKWVHZEAEBQF-GFCCVEGCSA-N -2 0 330.296 2.497 20 0 EEADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cncc(F)c2)cc1 ZINC000170644088 463687719 /nfs/dbraw/zinc/68/77/19/463687719.db2.gz USLAZSRYHOYKFC-UHFFFAOYSA-N -2 0 338.360 2.384 20 0 EEADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000339963520 465639447 /nfs/dbraw/zinc/63/94/47/465639447.db2.gz VPIUVYOUSTWERT-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000339964177 465641081 /nfs/dbraw/zinc/64/10/81/465641081.db2.gz YYKHHTRVDZXCMM-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cccc1C(=O)[O-] ZINC000315679755 466563356 /nfs/dbraw/zinc/56/33/56/466563356.db2.gz LRCQKTLXNGOQRO-UHFFFAOYSA-N -3 0 341.366 2.254 20 0 EEADRL O=C([O-])[C@H](C[N-]S(=O)(=O)c1c(F)cccc1F)c1ccccc1 ZINC000321204963 466618739 /nfs/dbraw/zinc/61/87/39/466618739.db2.gz HQBWINUMGYFMFR-LLVKDONJSA-N -2 0 341.335 2.112 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2cc(F)ccc2C)sc1C(=O)[O-] ZINC000738280881 578007768 /nfs/dbraw/zinc/00/77/68/578007768.db2.gz UPCQWCBHRTYQCA-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccc(Cl)nc2)c1 ZINC000731467955 577102391 /nfs/dbraw/zinc/10/23/91/577102391.db2.gz XTNHMNXSMGDHPG-UHFFFAOYSA-N -2 0 342.760 2.248 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ncccc2OC(F)F)cc1 ZINC000738688615 578023834 /nfs/dbraw/zinc/02/38/34/578023834.db2.gz HRODQFRPEBZHLC-UHFFFAOYSA-N -2 0 344.295 2.182 20 0 EEADRL O=C([O-])CC[C@H](NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])c1ccccc1 ZINC000739659216 578062911 /nfs/dbraw/zinc/06/29/11/578062911.db2.gz LCBZUYVGBTTYEJ-KFWWJZLASA-N -2 0 331.368 2.376 20 0 EEADRL O=C([O-])Nc1cccc(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)c1 ZINC000740033750 578078144 /nfs/dbraw/zinc/07/81/44/578078144.db2.gz LUVSELHMVNXUQI-UHFFFAOYSA-N -2 0 340.295 2.372 20 0 EEADRL C/C(=C/C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1ccccc1Cl ZINC000736120434 578182035 /nfs/dbraw/zinc/18/20/35/578182035.db2.gz IIMAVPGRBNAZEK-KTKRTIGZSA-N -2 0 345.804 2.054 20 0 EEADRL CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cn1 ZINC000319713230 599801881 /nfs/dbraw/zinc/80/18/81/599801881.db2.gz ZHGIKXZYIBUATC-UHFFFAOYSA-N -2 0 339.373 2.020 20 0 EEADRL CCc1nc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)sc1C ZINC000314716545 600243741 /nfs/dbraw/zinc/24/37/41/600243741.db2.gz XLHZKJPJOZTWFG-UHFFFAOYSA-N -2 0 340.426 2.442 20 0 EEADRL COc1cc(C(=O)[O-])cc(NC(=O)CC(C)(C)CC(=O)[O-])c1OC ZINC000831892602 600669567 /nfs/dbraw/zinc/66/95/67/600669567.db2.gz UCUVHPAJIGOXQO-UHFFFAOYSA-N -2 0 339.344 2.232 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1O ZINC000832952831 600685726 /nfs/dbraw/zinc/68/57/26/600685726.db2.gz CRQPZHINGOVLMI-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000026546656 601320977 /nfs/dbraw/zinc/32/09/77/601320977.db2.gz BGCUIGPBISGECH-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)no1 ZINC000830224513 601362336 /nfs/dbraw/zinc/36/23/36/601362336.db2.gz OZIPUZICTTYONY-UHFFFAOYSA-N -2 0 330.749 2.389 20 0 EEADRL COc1ccc(C)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000832266207 601362885 /nfs/dbraw/zinc/36/28/85/601362885.db2.gz WUJVHXZYFQJVHQ-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL CSc1ccncc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000832790637 601577339 /nfs/dbraw/zinc/57/73/39/601577339.db2.gz PMWYPKWAHDQUDC-UHFFFAOYSA-N -2 0 342.373 2.442 20 0 EEADRL C[C@H](CS(=O)(=O)Nc1ccc(C(C)(C)C)cc1C(=O)[O-])C(=O)[O-] ZINC000827571634 601615128 /nfs/dbraw/zinc/61/51/28/601615128.db2.gz OCZVRKNMFKPFQW-SECBINFHSA-N -2 0 343.401 2.145 20 0 EEADRL Cc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000832952726 601617004 /nfs/dbraw/zinc/61/70/04/601617004.db2.gz AXWHQXTXMATDST-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL CC(C)Oc1ccccc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000827063208 601835433 /nfs/dbraw/zinc/83/54/33/601835433.db2.gz WIJLONGBEPHXHV-UHFFFAOYSA-N -2 0 342.398 2.429 20 0 EEADRL CC(C)(C)n1cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cn1 ZINC000826529572 601859110 /nfs/dbraw/zinc/85/91/10/601859110.db2.gz OUQCYFSBBODZDK-UHFFFAOYSA-N -2 0 341.364 2.276 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2nnc(CCCC(=O)[O-])s2)cc1 ZINC000832956648 602106850 /nfs/dbraw/zinc/10/68/50/602106850.db2.gz NKWFCGZLNNDAGP-UHFFFAOYSA-N -2 0 341.414 2.055 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2csnc2C(=O)[O-])c(C)c1 ZINC000830094474 602154890 /nfs/dbraw/zinc/15/48/90/602154890.db2.gz GLVOHTXMVWEWQK-UHFFFAOYSA-N -2 0 342.398 2.349 20 0 EEADRL CC(C)CCn1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])n1 ZINC000826865183 602201430 /nfs/dbraw/zinc/20/14/30/602201430.db2.gz JPYYWJAHAJNESI-UHFFFAOYSA-N -2 0 343.430 2.490 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nnc(C(F)F)s1 ZINC000832917831 602212721 /nfs/dbraw/zinc/21/27/21/602212721.db2.gz AZABLGYBEJEUEQ-UHFFFAOYSA-N -2 0 349.340 2.283 20 0 EEADRL Cc1cc(F)ccc1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000832890531 604937427 /nfs/dbraw/zinc/93/74/27/604937427.db2.gz VSWDZZZWDWSYJM-UHFFFAOYSA-N -2 0 343.357 2.013 20 0 EEADRL C[C@H](CN(C)C(=O)c1cc(Cl)cc(Cl)c1[O-])c1nnn[n-]1 ZINC000935365941 1208140104 /nfs/dbraw/zinc/14/01/04/1208140104.db2.gz LZQITBQZKAMNGR-ZCFIWIBFSA-N -2 0 330.175 2.088 20 0 EEADRL COc1cccc(O)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185913712 1278865763 /nfs/dbraw/zinc/86/57/63/1278865763.db2.gz BGWAMSYSJOVFPJ-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2O)ccc1F ZINC001186188627 1278983090 /nfs/dbraw/zinc/98/30/90/1278983090.db2.gz OOFNRKJLTBFQDX-UHFFFAOYSA-N -2 0 347.270 2.309 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncc(F)cc2O)ccc1Cl ZINC001188279530 1279827078 /nfs/dbraw/zinc/82/70/78/1279827078.db2.gz GJTMXPACBSJPLG-UHFFFAOYSA-N -2 0 346.723 2.079 20 0 EEADRL CCOc1ncc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1F ZINC001198742311 1285315245 /nfs/dbraw/zinc/31/52/45/1285315245.db2.gz ZIJNLHDWQHPALD-UHFFFAOYSA-N -2 0 340.332 2.118 20 0 EEADRL Cc1cccc(-c2noc(-c3cc(S(=O)(=O)[O-])ccc3[O-])n2)n1 ZINC001215454092 1296909612 /nfs/dbraw/zinc/90/96/12/1296909612.db2.gz ICOFUXJEDKAATQ-UHFFFAOYSA-N -2 0 333.325 2.059 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nc3c(s2)CCC3)ccc1F ZINC000315066685 1298366290 /nfs/dbraw/zinc/36/62/90/1298366290.db2.gz AKJICFXKKTVNJL-UHFFFAOYSA-N -2 0 342.373 2.270 20 0 EEADRL COCCn1ccc2c1ncnc2-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242159298 1309622525 /nfs/dbraw/zinc/62/25/25/1309622525.db2.gz LDGYYOILCYIZPD-UHFFFAOYSA-N -2 0 341.323 2.141 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(N3CCCC3=O)nc2)c1 ZINC001242162447 1309623796 /nfs/dbraw/zinc/62/37/96/1309623796.db2.gz GGCNFSVHZRSAJH-UHFFFAOYSA-N -2 0 326.308 2.272 20 0 EEADRL CN1CCc2cc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)ccc2C1=O ZINC001242164044 1309624953 /nfs/dbraw/zinc/62/49/53/1309624953.db2.gz YVGUQSFADXMUQL-UHFFFAOYSA-N -2 0 325.320 2.378 20 0 EEADRL COc1ccc(-c2cc(=O)n(-c3ncccc3C(=O)[O-])[n-]2)cc1OC ZINC001245929784 1310189703 /nfs/dbraw/zinc/18/97/03/1310189703.db2.gz IDXMMABNPPWFIH-UHFFFAOYSA-N -2 0 341.323 2.355 20 0 EEADRL NC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2F)cc1O ZINC001259459485 1319581840 /nfs/dbraw/zinc/58/18/40/1319581840.db2.gz ZNQUONOPDSMUML-UHFFFAOYSA-N -2 0 344.751 2.084 20 0 EEADRL COc1cc(C(C)=O)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260189434 1319819593 /nfs/dbraw/zinc/81/95/93/1319819593.db2.gz ACRDNJGAFFWGEL-UHFFFAOYSA-N -2 0 349.364 2.397 20 0 EEADRL COc1cccc(C(C)=O)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260227340 1319838155 /nfs/dbraw/zinc/83/81/55/1319838155.db2.gz CMEIXUFIQIRHAS-UHFFFAOYSA-N -2 0 349.364 2.397 20 0 EEADRL Cc1c(F)cc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)ccc1N ZINC001210007907 1325126463 /nfs/dbraw/zinc/12/64/63/1325126463.db2.gz RDSBBEKQMDQOSX-UHFFFAOYSA-N -2 0 342.323 2.354 20 0 EEADRL CCc1oncc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001605897131 1351249669 /nfs/dbraw/zinc/24/96/69/1351249669.db2.gz YPISWWZKNJYAMF-UHFFFAOYSA-N -2 0 330.749 2.389 20 0 EEADRL O=C([O-])[C@@H]1CN(C(=O)c2c([O-])cccc2F)C[C@H]1c1ccc(O)cc1 ZINC001608807780 1351768356 /nfs/dbraw/zinc/76/83/56/1351768356.db2.gz DJFVCZBTRLMESJ-QWHCGFSZSA-N -2 0 345.326 2.177 20 0 EEADRL CC(C)(C)C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001609657553 1352051998 /nfs/dbraw/zinc/05/19/98/1352051998.db2.gz TXLJHOUADQWXIE-DTWKUNHWSA-N -2 0 345.442 2.324 20 0 EEADRL C[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC001609852446 1352101986 /nfs/dbraw/zinc/10/19/86/1352101986.db2.gz OSXSOJYBDMTFHE-AAEUAGOBSA-N -2 0 339.413 2.157 20 0 EEADRL CCCC(=CC(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-])CCC ZINC001609952670 1352127996 /nfs/dbraw/zinc/12/79/96/1352127996.db2.gz VKOMTOSFYDEWIL-UHFFFAOYSA-N -2 0 346.430 2.173 20 0 EEADRL CCOc1ccc(S(=O)(=O)C=C([O-])c2ccc(C(=O)[O-])cc2)cc1 ZINC001610044304 1352148937 /nfs/dbraw/zinc/14/89/37/1352148937.db2.gz KLUIQGLZXZDZTE-UHFFFAOYSA-N -2 0 348.376 2.440 20 0 EEADRL CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)no1 ZINC001610059584 1352152208 /nfs/dbraw/zinc/15/22/08/1352152208.db2.gz ZBGPCQOVXNNGHF-UHFFFAOYSA-N -2 0 328.321 2.184 20 0 EEADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)c1ccoc1C1CC1 ZINC001610701781 1352261668 /nfs/dbraw/zinc/26/16/68/1352261668.db2.gz LNUJNUZGJZBADG-UHFFFAOYSA-N -2 0 341.366 2.035 20 0 EEADRL C[C@@H]1CCN(c2cccc(C(F)F)c2-c2nn[nH]n2)C[C@H]1C(=O)[O-] ZINC001590273865 1349242525 /nfs/dbraw/zinc/24/25/25/1349242525.db2.gz BIOVAMNIBGLUIR-PSASIEDQSA-N -2 0 337.330 2.351 20 0 EEADRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)CCC3CC3)nc2n1 ZINC001600107966 1349972579 /nfs/dbraw/zinc/97/25/79/1349972579.db2.gz YIYCEDGDKHDGPV-UHFFFAOYSA-N -2 0 341.414 2.240 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1COC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC001600349790 1350026048 /nfs/dbraw/zinc/02/60/48/1350026048.db2.gz NTFOSTSIOFMINP-UHFFFAOYSA-N -2 0 347.289 2.194 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2cnn(C)c2C2CC2)c1C(=O)[O-] ZINC001600550610 1350080169 /nfs/dbraw/zinc/08/01/69/1350080169.db2.gz HQEKFMWDONQODK-UHFFFAOYSA-N -2 0 335.385 2.105 20 0 EEADRL Cc1cscc1NC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001600665895 1350113147 /nfs/dbraw/zinc/11/31/47/1350113147.db2.gz HOKJADSDEHDPLG-KGXJWFGYSA-N -2 0 338.385 2.086 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)C1(C2CCC2)CCC1 ZINC001600834540 1350147735 /nfs/dbraw/zinc/14/77/35/1350147735.db2.gz VBRLCPLDMGRNPF-UHFFFAOYSA-N -2 0 341.385 2.062 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)Nc2cc(F)cc(Cl)c2)C1 ZINC001601792112 1350365278 /nfs/dbraw/zinc/36/52/78/1350365278.db2.gz GBTXHSUUTAQEQT-RDDDGLTNSA-N -2 0 344.726 2.261 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC001601793257 1350365350 /nfs/dbraw/zinc/36/53/50/1350365350.db2.gz YWAYUYYHKDEXQZ-RDDDGLTNSA-N -2 0 344.726 2.261 20 0 EEADRL O=C([O-])[C@H]1CSCCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC001601856507 1350381492 /nfs/dbraw/zinc/38/14/92/1350381492.db2.gz PLKZNTWMRVGYGS-SSDOTTSWSA-N -2 0 333.768 2.075 20 0 EEADRL O=C([O-])CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001602008373 1350417564 /nfs/dbraw/zinc/41/75/64/1350417564.db2.gz QJZHOCYLHUPHRS-UHFFFAOYSA-N -2 0 349.364 2.055 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)oc1Cl ZINC001602292698 1350486583 /nfs/dbraw/zinc/48/65/83/1350486583.db2.gz CUBAGPMCPGYUKB-ZETCQYMHSA-N -2 0 347.698 2.250 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnn(C3CCC3)c2)s1 ZINC001602385320 1350507777 /nfs/dbraw/zinc/50/77/77/1350507777.db2.gz FQXXEWCELVELCG-UHFFFAOYSA-N -2 0 327.387 2.169 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-][C@H](C(F)F)C2CCCCC2)c1 ZINC001602557065 1350545898 /nfs/dbraw/zinc/54/58/98/1350545898.db2.gz PLAJUVBUTKYLAH-NSHDSACASA-N -2 0 337.344 2.470 20 0 EEADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC001602586626 1350551635 /nfs/dbraw/zinc/55/16/35/1350551635.db2.gz HMMBIPCWYHLBJW-UHFFFAOYSA-N -2 0 341.395 2.252 20 0 EEADRL O=C([O-])c1nsc([N-]C(=O)c2noc3c2CCc2ccccc2-3)n1 ZINC001602586666 1350551875 /nfs/dbraw/zinc/55/18/75/1350551875.db2.gz JATBTPGPMMLAHP-UHFFFAOYSA-N -2 0 342.336 2.242 20 0 EEADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)C[C@H]1CCCCC1(C)C ZINC001603186640 1350658048 /nfs/dbraw/zinc/65/80/48/1350658048.db2.gz AOVQITZKQYTOBM-SDDRHHMPSA-N -2 0 333.450 2.148 20 0 EEADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1csc2ccccc12 ZINC001603191092 1350659695 /nfs/dbraw/zinc/65/96/95/1350659695.db2.gz ZGMFZRPLULLALJ-IUCAKERBSA-N -2 0 341.410 2.070 20 0 EEADRL C[C@H]1CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CC[C@@H]1C(=O)[O-] ZINC001604778190 1351001178 /nfs/dbraw/zinc/00/11/78/1351001178.db2.gz SMHKPIBQXWCURQ-YUMQZZPRSA-N -2 0 342.298 2.238 20 0 EEADRL CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1cc(C(=O)[O-])nn1C ZINC001605127938 1351083177 /nfs/dbraw/zinc/08/31/77/1351083177.db2.gz JEKPBUQICSJVKD-OAHLLOKOSA-N -2 0 331.372 2.156 20 0 EEADRL CCCC(=CC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)CCC ZINC001605188700 1351098852 /nfs/dbraw/zinc/09/88/52/1351098852.db2.gz UUHYNZCCKOIHFB-UHFFFAOYSA-N -2 0 329.374 2.309 20 0 EEADRL CN(Cc1nc(=O)c2sccc2[n-]1)[C@H](C(=O)[O-])c1cccnc1 ZINC001606177997 1351282627 /nfs/dbraw/zinc/28/26/27/1351282627.db2.gz ZSMWDFZERLSLBT-LBPRGKRZSA-N -2 0 330.369 2.050 20 0 EEADRL Cc1[nH]c(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c(C)c1C(=O)[O-] ZINC001607490606 1351503777 /nfs/dbraw/zinc/50/37/77/1351503777.db2.gz RZMSVITVVMTYLW-QGZVFWFLSA-N -2 0 330.340 2.060 20 0 EEADRL Cc1ccnc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])n1 ZINC001607894962 1351581371 /nfs/dbraw/zinc/58/13/71/1351581371.db2.gz LQMYIEWKVMYLJW-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL Cc1nc(C)c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)s1 ZINC001607952086 1351591716 /nfs/dbraw/zinc/59/17/16/1351591716.db2.gz JFPZETSHKVFGMO-UHFFFAOYSA-N -2 0 344.389 2.327 20 0 EEADRL Cc1nn(C)c([N-]S(=O)(=O)c2cccc(C(F)F)c2)c1C(=O)[O-] ZINC001608002854 1351601374 /nfs/dbraw/zinc/60/13/74/1351601374.db2.gz QYZNUPUPMANDQB-UHFFFAOYSA-N -2 0 345.327 2.165 20 0 EEADRL CCc1nccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187548346 1368249985 /nfs/dbraw/zinc/24/99/85/1368249985.db2.gz QMOAHXSCKSOFSY-UHFFFAOYSA-N -2 0 341.776 2.191 20 0 EEADRL Cc1cnc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)n1 ZINC001188272880 1368292567 /nfs/dbraw/zinc/29/25/67/1368292567.db2.gz XIGAXJXGODCCOI-UHFFFAOYSA-N -2 0 341.776 2.246 20 0 EEADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nc1ccc(F)c(F)c1[O-] ZINC000837265549 1372776919 /nfs/dbraw/zinc/77/69/19/1372776919.db2.gz GSWBUSOPKZQLPA-UHFFFAOYSA-N -2 0 326.221 2.066 20 0 EEADRL O=C([O-])CCN(CC1CC1)C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000908876471 785816195 /nfs/dbraw/zinc/81/61/95/785816195.db2.gz VYTSRUXVQKBUOO-UHFFFAOYSA-N -2 0 347.346 2.044 20 0 EEADRL Cc1noc(C)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc2cccnc21 ZINC000821107063 786625988 /nfs/dbraw/zinc/62/59/88/786625988.db2.gz SKSYFXAWUBFKCZ-UHFFFAOYSA-N -2 0 347.352 2.339 20 0 EEADRL O=C(NCCCC[P@](=O)([O-])O)c1cc(Cl)cc(Cl)c1[O-] ZINC001148814758 792723584 /nfs/dbraw/zinc/72/35/84/792723584.db2.gz WHJAPNGNCAIGHO-UHFFFAOYSA-N -2 0 342.115 2.387 20 0 EEADRL O=C(NCCOP(=O)([O-])[O-])[C@@H](Cc1ccccc1)c1ccccc1 ZINC001181826751 800924093 /nfs/dbraw/zinc/92/40/93/800924093.db2.gz KDEKOWHMEWRWTE-INIZCTEOSA-N -2 0 349.323 2.238 20 0 EEADRL C[C@H](C(=O)[O-])N(C(=O)c1cc(Br)cc(F)c1[O-])C1CC1 ZINC001602814957 971612194 /nfs/dbraw/zinc/61/21/94/971612194.db2.gz JKWLHBHIZWKCOV-ZCFIWIBFSA-N -2 0 346.152 2.372 20 0 EEADRL CCN(C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])[C@H](C)C(=O)[O-] ZINC001589710465 950316279 /nfs/dbraw/zinc/31/62/79/950316279.db2.gz DEBRAARMXNVPAV-SECBINFHSA-N -2 0 337.763 2.167 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cccc2n[nH]cc21 ZINC000389261884 972215093 /nfs/dbraw/zinc/21/50/93/972215093.db2.gz OXGUWMPYTQVFPT-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3cccnc32)ccc1O ZINC000013030418 956909903 /nfs/dbraw/zinc/90/99/03/956909903.db2.gz XZLXQIAXMULNPY-UHFFFAOYSA-N -2 0 344.348 2.439 20 0 EEADRL COCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000038058827 957353101 /nfs/dbraw/zinc/35/31/01/957353101.db2.gz ZHQOOSIUSDYLHB-UHFFFAOYSA-N -2 0 327.383 2.394 20 0 EEADRL C[C@H](C(=O)[O-])N(C(=O)c1cc(Br)c(F)cc1[O-])C1CC1 ZINC001573376179 958655899 /nfs/dbraw/zinc/65/58/99/958655899.db2.gz VOPOIJXEARSDQW-ZCFIWIBFSA-N -2 0 346.152 2.372 20 0 EEADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]OCc1ccc(F)cc1Br ZINC001588807880 961486569 /nfs/dbraw/zinc/48/65/69/961486569.db2.gz DRFCQERMLGYYIC-LLVKDONJSA-N -2 0 348.168 2.493 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)C[C@H]2C[C@@H]2Cc2ccccc2)C1 ZINC001553010295 1125483978 /nfs/dbraw/zinc/48/39/78/1125483978.db2.gz GKZOHSMSGYRVMU-QKPAOTATSA-N -2 0 345.395 2.032 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccn(C(C)C)n2)c1C(=O)[O-] ZINC000319233154 970515952 /nfs/dbraw/zinc/51/59/52/970515952.db2.gz VKUYQNVJCNNAJT-UHFFFAOYSA-N -2 0 327.362 2.173 20 0 EEADRL CC(C)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)n[nH]1 ZINC000319634133 970556509 /nfs/dbraw/zinc/55/65/09/970556509.db2.gz ZVELBYNSGIHZLS-UHFFFAOYSA-N -2 0 327.337 2.171 20 0 EEADRL CC(C)Oc1cccnc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001591803598 976024483 /nfs/dbraw/zinc/02/44/83/976024483.db2.gz MYHUEXUUVDSNIL-UHFFFAOYSA-N -2 0 336.369 2.368 20 0 EEADRL CCCCCC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001595663403 982084265 /nfs/dbraw/zinc/08/42/65/982084265.db2.gz VWSMJRCDZRVSOG-UHFFFAOYSA-N -2 0 333.793 2.423 20 0 EEADRL C[C@H]1CN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CC[C@@H]1C(=O)[O-] ZINC001594479350 985514783 /nfs/dbraw/zinc/51/47/83/985514783.db2.gz WDXBDKWLDNKWBC-CBAPKCEASA-N -2 0 342.298 2.238 20 0 EEADRL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)nc1C ZINC001597126241 986836251 /nfs/dbraw/zinc/83/62/51/986836251.db2.gz ZUCWQGBDGPUGJH-UHFFFAOYSA-N -2 0 342.398 2.349 20 0 EEADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(C(C)(C)C)c(Cl)c1 ZINC001589491842 987060379 /nfs/dbraw/zinc/06/03/79/987060379.db2.gz OCRPKHCOGNFEDQ-QMMMGPOBSA-N -2 0 347.820 2.170 20 0 EEADRL C[C@@H](C(=O)[O-])[S@@](=O)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001589492053 987061652 /nfs/dbraw/zinc/06/16/52/987061652.db2.gz QHVWJEABBPHNOI-ZCAPAMDOSA-N -2 0 339.394 2.230 20 0 EEADRL CCc1oncc1[N-]S(=O)(=O)c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001597816270 989446113 /nfs/dbraw/zinc/44/61/13/989446113.db2.gz SCFVFZBEWKAADH-UHFFFAOYSA-N -2 0 338.385 2.400 20 0 EEADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1c(C)cccc1O ZINC001599387293 996968283 /nfs/dbraw/zinc/96/82/83/996968283.db2.gz FWWUBUHFNJAIKU-UHFFFAOYSA-N -2 0 343.382 2.270 20 0 EEADRL C[C@H]1CCC[C@@]1(C)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001594357084 999350044 /nfs/dbraw/zinc/35/00/44/999350044.db2.gz IVHSLEIJPVKGGU-ISVAXAHUSA-N -2 0 331.415 2.078 20 0 EEADRL C[C@H]1CCC[C@H]1CC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001594357775 999352496 /nfs/dbraw/zinc/35/24/96/999352496.db2.gz OTUKMUZXSTWDKV-QWRGUYRKSA-N -2 0 325.386 2.016 20 0 EEADRL C[C@H]1CCCc2nc(S(=O)(=O)[N-]c3sccc3C(=O)[O-])cn21 ZINC001594389367 999475158 /nfs/dbraw/zinc/47/51/58/999475158.db2.gz XBHFPHYBAXWTPS-QMMMGPOBSA-N -2 0 341.414 2.341 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2ccc(C)c3c[nH]nc32)cc1C(=O)[O-] ZINC000348868099 539858334 /nfs/dbraw/zinc/85/83/34/539858334.db2.gz WEKRLMZRTNMTHI-UHFFFAOYSA-N -2 0 348.384 2.192 20 0 EEADRL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000131872996 205306401 /nfs/dbraw/zinc/30/64/01/205306401.db2.gz BOWVJHCVCCWLAR-SSDOTTSWSA-N -2 0 325.308 2.026 20 0 EEADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000267888570 256094241 /nfs/dbraw/zinc/09/42/41/256094241.db2.gz SOOZKOVCHLMOOY-LBPRGKRZSA-N -2 0 343.401 2.093 20 0 EEADRL COc1ncccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000318553026 160534118 /nfs/dbraw/zinc/53/41/18/160534118.db2.gz NNQXRYTYDWPLLW-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000320366317 160536517 /nfs/dbraw/zinc/53/65/17/160536517.db2.gz CSQIIITUCPJLRZ-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL CN(c1ccccc1F)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000360515185 164327235 /nfs/dbraw/zinc/32/72/35/164327235.db2.gz MWTPIHCLADEOEJ-UHFFFAOYSA-N -2 0 325.317 2.055 20 0 EEADRL O=C(N=c1nc(-c2cccnc2)[n-]s1)c1cc(F)c([O-])c(F)c1 ZINC000436528638 314971523 /nfs/dbraw/zinc/97/15/23/314971523.db2.gz ICEWFZCQCOQZSW-UHFFFAOYSA-N -2 0 334.307 2.258 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])cn1 ZINC000351389267 465137750 /nfs/dbraw/zinc/13/77/50/465137750.db2.gz SVJVSFMCAJHCIH-UHFFFAOYSA-N -2 0 329.765 2.055 20 0 EEADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000058377213 463587608 /nfs/dbraw/zinc/58/76/08/463587608.db2.gz COJWTXVDISUYRH-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL Cc1cc(C(=O)Nc2cc(C3CC3)ccn2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000362362581 465680249 /nfs/dbraw/zinc/68/02/49/465680249.db2.gz PCQSZLDTFWQAOU-UHFFFAOYSA-N -2 0 337.339 2.269 20 0 EEADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(S[C@@H](C)C(=O)[O-])cc1 ZINC000349107723 465972756 /nfs/dbraw/zinc/97/27/56/465972756.db2.gz MAYXKQJASHAHFC-VIFPVBQESA-N -2 0 341.414 2.084 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cncc(Cl)c2)cc1F ZINC000350315105 466460549 /nfs/dbraw/zinc/46/05/49/466460549.db2.gz ROEBUNQYCGTFLH-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2OC(F)F)c[nH]1 ZINC000314474752 466551473 /nfs/dbraw/zinc/55/14/73/466551473.db2.gz MUBUESKLHOUBNV-UHFFFAOYSA-N -2 0 332.284 2.115 20 0 EEADRL COc1ccsc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1F ZINC000427312518 467150160 /nfs/dbraw/zinc/15/01/60/467150160.db2.gz ATFFWGJYVWWPEM-UHFFFAOYSA-N -2 0 331.346 2.395 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)n1 ZINC000647248001 470867777 /nfs/dbraw/zinc/86/77/77/470867777.db2.gz SSNROJXNMWVVIG-GOSISDBHSA-N -2 0 343.383 2.077 20 0 EEADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccsc2)c(C(=O)[O-])s1 ZINC000737680975 576171011 /nfs/dbraw/zinc/17/10/11/576171011.db2.gz ONEWPRYSIAAQOI-UHFFFAOYSA-N -2 0 347.395 2.095 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)cnn1C ZINC000767733922 577543920 /nfs/dbraw/zinc/54/39/20/577543920.db2.gz HPFOJINCIXGOTL-UHFFFAOYSA-N -2 0 347.755 2.020 20 0 EEADRL Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)c2)no1 ZINC000738832516 578028105 /nfs/dbraw/zinc/02/81/05/578028105.db2.gz QPBMUBWTEPTBHK-UHFFFAOYSA-N -2 0 349.324 2.137 20 0 EEADRL O=C([O-])c1sccc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000740288150 578089124 /nfs/dbraw/zinc/08/91/24/578089124.db2.gz AVMXPGIEXRPNKC-UHFFFAOYSA-N -2 0 325.367 2.277 20 0 EEADRL CCCc1c(C(=O)[N-]S(=O)(=O)C(CC)CC)[nH]c(C)c1C(=O)[O-] ZINC000737042895 578234668 /nfs/dbraw/zinc/23/46/68/578234668.db2.gz FGBNXGRLJZMHTD-UHFFFAOYSA-N -2 0 344.433 2.222 20 0 EEADRL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c(C)c1 ZINC000314646715 599738277 /nfs/dbraw/zinc/73/82/77/599738277.db2.gz FWKPYPTVZIBNHU-UHFFFAOYSA-N -2 0 325.342 2.486 20 0 EEADRL C[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000828233787 600941051 /nfs/dbraw/zinc/94/10/51/600941051.db2.gz SIYNOFYAOOWHFC-IUCAKERBSA-N -2 0 331.415 2.078 20 0 EEADRL CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000826763938 600976201 /nfs/dbraw/zinc/97/62/01/600976201.db2.gz MJODFKCIDAKQLC-JTQLQIEISA-N -2 0 340.405 2.317 20 0 EEADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000831945959 601150361 /nfs/dbraw/zinc/15/03/61/601150361.db2.gz NIBQVPABNBDGFO-UHFFFAOYSA-N -2 0 331.346 2.395 20 0 EEADRL O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000833181932 601187025 /nfs/dbraw/zinc/18/70/25/601187025.db2.gz UTRHVVTYFJGXLW-NTSWFWBYSA-N -2 0 334.553 2.467 20 0 EEADRL CCCn1cc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cn1 ZINC000829585327 601333737 /nfs/dbraw/zinc/33/37/37/601333737.db2.gz OPAPXBVPJZARRR-YVMONPNESA-N -2 0 335.385 2.192 20 0 EEADRL Cn1cnc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)ccc21 ZINC000833057978 601339251 /nfs/dbraw/zinc/33/92/51/601339251.db2.gz CTEGWIOGWDGUGW-UHFFFAOYSA-N -2 0 337.382 2.134 20 0 EEADRL CC(C)c1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)s1 ZINC000827168754 601503421 /nfs/dbraw/zinc/50/34/21/601503421.db2.gz WPQAKXKRDHDBTD-UHFFFAOYSA-N -2 0 333.416 2.222 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)c(F)cc1F ZINC000832904715 601795182 /nfs/dbraw/zinc/79/51/82/601795182.db2.gz YNIFOQUJWPAYCN-UHFFFAOYSA-N -2 0 348.352 2.158 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)nc1 ZINC000832419704 601843964 /nfs/dbraw/zinc/84/39/64/601843964.db2.gz ZQHGLWMATYXCKF-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL COc1cc(C)c(S(=O)(=O)[N-]c2csnc2C(=O)[O-])cc1C ZINC000831967182 602155535 /nfs/dbraw/zinc/15/55/35/602155535.db2.gz SJWJCSRUYWRCMY-UHFFFAOYSA-N -2 0 342.398 2.268 20 0 EEADRL Cc1cc(NC(=O)c2nn(-c3ccccc3F)cc2[O-])c(C(=O)[O-])[nH]1 ZINC000832896499 602299416 /nfs/dbraw/zinc/29/94/16/602299416.db2.gz ACQNONBDEVBGLP-UHFFFAOYSA-N -2 0 344.302 2.304 20 0 EEADRL O=C([O-])CCc1csc([N-]S(=O)(=O)c2cccc(F)c2F)n1 ZINC000833243191 604625073 /nfs/dbraw/zinc/62/50/73/604625073.db2.gz BLYSFUDEEJLBLB-UHFFFAOYSA-N -2 0 348.352 2.239 20 0 EEADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000863951756 1197935128 /nfs/dbraw/zinc/93/51/28/1197935128.db2.gz RTJCDTGIZIJQCU-KRWDZBQOSA-N -2 0 347.392 2.146 20 0 EEADRL CCCc1ccc(S(=O)(=O)[N-]C(=O)C(CC)(CC)C(=O)[O-])cc1 ZINC000863953634 1197936554 /nfs/dbraw/zinc/93/65/54/1197936554.db2.gz YNRZYBZRXHWKGK-UHFFFAOYSA-N -2 0 341.429 2.335 20 0 EEADRL CC(C)Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000863958837 1197937969 /nfs/dbraw/zinc/93/79/69/1197937969.db2.gz LHRYLBOFKDZPDH-AWEZNQCLSA-N -2 0 341.429 2.047 20 0 EEADRL O=C(CSCC(=O)[N-]OC1CCCCC1)[N-]OC1CCCCC1 ZINC000779321481 1209950117 /nfs/dbraw/zinc/95/01/17/1209950117.db2.gz AVUFHOUXIIGESG-UHFFFAOYSA-N -2 0 344.477 2.481 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1noc2cnccc21 ZINC001185877411 1278845200 /nfs/dbraw/zinc/84/52/00/1278845200.db2.gz JYWXFKLXDNHWQH-UHFFFAOYSA-N -2 0 333.325 2.030 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)ncc1C ZINC001185879903 1278848455 /nfs/dbraw/zinc/84/84/55/1278848455.db2.gz VLWSVHJEZJWKLI-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)ccn2)c1 ZINC001187545407 1279579474 /nfs/dbraw/zinc/57/94/74/1279579474.db2.gz KPJUJYRCBSYWCH-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL NC(=O)c1cnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c2sccc21 ZINC001242161101 1309622723 /nfs/dbraw/zinc/62/27/23/1309622723.db2.gz VMTUDSDYABUEOS-UHFFFAOYSA-N -2 0 342.332 2.459 20 0 EEADRL CS(=O)(=O)Nc1cccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242162117 1309623568 /nfs/dbraw/zinc/62/35/68/1309623568.db2.gz DVKJSJNJFOVQJZ-UHFFFAOYSA-N -2 0 335.337 2.122 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(N3C(=O)C=CC3=O)cc2)c1 ZINC001242161892 1309624091 /nfs/dbraw/zinc/62/40/91/1309624091.db2.gz NFZZBQLKRDJCPM-UHFFFAOYSA-N -2 0 337.287 2.179 20 0 EEADRL O=C([O-])c1cccc(C(=O)[O-])c1C1=CCN(C(=O)C(F)(F)F)CC1 ZINC001244222645 1309924676 /nfs/dbraw/zinc/92/46/76/1309924676.db2.gz DCAGJFSSMZZBIO-UHFFFAOYSA-N -2 0 343.257 2.261 20 0 EEADRL O=C(Nc1cc(=O)[n-]c(Cl)n1)c1cc(=O)c2cccc(O)c2[n-]1 ZINC001152671431 1316705490 /nfs/dbraw/zinc/70/54/90/1316705490.db2.gz OCKNLMYNJVLUKV-UHFFFAOYSA-N -2 0 332.703 2.047 20 0 EEADRL O=P([O-])([O-])OCCNC(F)(F)c1ccc(Cl)c(Cl)n1 ZINC001157790754 1318863155 /nfs/dbraw/zinc/86/31/55/1318863155.db2.gz FMJTZLRUGUFHBI-UHFFFAOYSA-N -2 0 337.046 2.137 20 0 EEADRL CCc1c(Cl)cc([N-]S(=O)(=O)CC(=O)OC)c([O-])c1Cl ZINC001259026327 1319417143 /nfs/dbraw/zinc/41/71/43/1319417143.db2.gz OULHOFUQOOHUTK-UHFFFAOYSA-N -2 0 342.200 2.176 20 0 EEADRL CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260189540 1319821863 /nfs/dbraw/zinc/82/18/63/1319821863.db2.gz JGCDECHFZRHAOT-UHFFFAOYSA-N -2 0 334.353 2.144 20 0 EEADRL Cc1nc(Cl)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 ZINC001260209253 1319831455 /nfs/dbraw/zinc/83/14/55/1319831455.db2.gz RSCWIQDUSVEVEP-UHFFFAOYSA-N -2 0 345.739 2.077 20 0 EEADRL COc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)ccc(F)c1F ZINC001260228553 1319839523 /nfs/dbraw/zinc/83/95/23/1319839523.db2.gz KNMLUEWWSVFJMA-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(C3CC3)n2)ccc1O ZINC001260393742 1319882641 /nfs/dbraw/zinc/88/26/41/1319882641.db2.gz DEZOJIWYEYYBAN-UHFFFAOYSA-N -2 0 334.353 2.164 20 0 EEADRL CC(C)(C)[C@@H](NC(=O)c1cccc(Br)c1[O-])C(=O)[O-] ZINC001603309014 1350685009 /nfs/dbraw/zinc/68/50/09/1350685009.db2.gz KSVRDLMJIKSFGX-JTQLQIEISA-N -2 0 330.178 2.384 20 0 EEADRL C[C@H](CS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)C(C)(C)C ZINC001604209129 1350893828 /nfs/dbraw/zinc/89/38/28/1350893828.db2.gz GBFHBIDTZZBANO-GRYCIOLGSA-N -2 0 333.450 2.006 20 0 EEADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccnn1C1CC1 ZINC001607660802 1351534908 /nfs/dbraw/zinc/53/49/08/1351534908.db2.gz CJDFSHKBRXCAMI-UHFFFAOYSA-N -2 0 339.348 2.165 20 0 EEADRL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)nc2)c1 ZINC001608787860 1351763363 /nfs/dbraw/zinc/76/33/63/1351763363.db2.gz OHEAWURLWXTBOX-UHFFFAOYSA-N -2 0 326.761 2.163 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)oc1Cl ZINC001608861085 1351780289 /nfs/dbraw/zinc/78/02/89/1351780289.db2.gz OYPHDAIBHJZZHD-LURJTMIESA-N -2 0 343.735 2.345 20 0 EEADRL O=C([O-])c1ccc(C(=O)COC(=O)c2c(F)cc([O-])cc2F)cc1 ZINC001608871385 1351782682 /nfs/dbraw/zinc/78/26/82/1351782682.db2.gz RTYXETFEIRSONA-UHFFFAOYSA-N -2 0 336.246 2.408 20 0 EEADRL O=C([O-])c1ccc(CCNC(=O)C2(C(=O)[O-])CCCCCC2)cc1 ZINC001608880826 1351785504 /nfs/dbraw/zinc/78/55/04/1351785504.db2.gz NXVBSFDVSSRVCE-UHFFFAOYSA-N -2 0 333.384 2.469 20 0 EEADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C2(C(F)(F)F)CCC2)c1 ZINC001608932715 1351797707 /nfs/dbraw/zinc/79/77/07/1351797707.db2.gz ZUIHVSKIUPRWOZ-UHFFFAOYSA-N -2 0 337.319 2.289 20 0 EEADRL CC(C)C[C@@H](CNC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)C(=O)[O-] ZINC001609692822 1352061096 /nfs/dbraw/zinc/06/10/96/1352061096.db2.gz SMDJDQDWFYGKJL-QWHCGFSZSA-N -2 0 342.436 2.266 20 0 EEADRL C[C@H](CCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])c1ccccc1 ZINC001609737768 1352072890 /nfs/dbraw/zinc/07/28/90/1352072890.db2.gz ILRKXUNVWXKDBL-UPJWGTAASA-N -2 0 341.429 2.126 20 0 EEADRL CC[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C1CCC(C)CC1 ZINC001609884263 1352110939 /nfs/dbraw/zinc/11/09/39/1352110939.db2.gz KYGKQXHRANRUAJ-WXRRBKDZSA-N -2 0 333.450 2.150 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc2ccccn2n1 ZINC001610447205 1352223760 /nfs/dbraw/zinc/22/37/60/1352223760.db2.gz MFRRQULEFHQZOK-UHFFFAOYSA-N -2 0 331.353 2.142 20 0 EEADRL O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)C1 ZINC001610741561 1352267212 /nfs/dbraw/zinc/26/72/12/1352267212.db2.gz WVDYPQGMSIPKLS-QWRGUYRKSA-N -2 0 330.344 2.007 20 0 EEADRL O=C([O-])CCCCCNC(=O)N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001610767875 1352271271 /nfs/dbraw/zinc/27/12/71/1352271271.db2.gz KZCYALDCBJERKP-UHFFFAOYSA-N -2 0 334.372 2.098 20 0 EEADRL O=C([O-])c1cc(F)cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1F ZINC001610812721 1352279210 /nfs/dbraw/zinc/27/92/10/1352279210.db2.gz VHCPSKFWBDZMJA-DTWKUNHWSA-N -2 0 325.267 2.269 20 0 EEADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)[C@H]1CC2CCC1CC2 ZINC001610877393 1352289363 /nfs/dbraw/zinc/28/93/63/1352289363.db2.gz VTTDHBWWAQDFOA-RTBKNWGFSA-N -2 0 343.426 2.078 20 0 EEADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2c[nH]nc2C2CC2)c1C ZINC001600115386 1349973895 /nfs/dbraw/zinc/97/38/95/1349973895.db2.gz XDYJXJPEASZDHQ-UHFFFAOYSA-N -2 0 335.385 2.403 20 0 EEADRL Cc1cc(Cl)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1O ZINC001600219092 1349995819 /nfs/dbraw/zinc/99/58/19/1349995819.db2.gz PEWFNOUTLLTWAW-UHFFFAOYSA-N -2 0 331.733 2.446 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cc(C3CCCC3)[nH]n2)oc1C(=O)[O-] ZINC001600301598 1350015239 /nfs/dbraw/zinc/01/52/39/1350015239.db2.gz JOGYVYXBVMKIDX-UHFFFAOYSA-N -2 0 339.373 2.468 20 0 EEADRL Cc1ccc(C(=O)[O-])c(O)c1[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC001600346404 1350025742 /nfs/dbraw/zinc/02/57/42/1350025742.db2.gz WJGLTUVQRFJQDT-UHFFFAOYSA-N -2 0 339.373 2.046 20 0 EEADRL Cc1ccc([C@@H](CNC(=O)[C@H](C(=O)[O-])C2CCCC2)C(=O)[O-])cc1 ZINC001600375735 1350033561 /nfs/dbraw/zinc/03/35/61/1350033561.db2.gz RPEYGQUCPGOBSF-HUUCEWRRSA-N -2 0 333.384 2.170 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2cccc3cccnc32)cc1C(=O)[O-] ZINC001600747317 1350127288 /nfs/dbraw/zinc/12/72/88/1350127288.db2.gz LMRPJVBCZKTLFW-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cccc3c2CCO3)c1C(=O)[O-] ZINC001600839038 1350148550 /nfs/dbraw/zinc/14/85/50/1350148550.db2.gz ZFQBMTLNIJVFKA-UHFFFAOYSA-N -2 0 337.353 2.330 20 0 EEADRL O=C([O-])[C@@H](CNC(=O)c1ccc2oc(=O)nc-2[n-]1)C1CCCCCC1 ZINC001601451587 1350286059 /nfs/dbraw/zinc/28/60/59/1350286059.db2.gz JDCFAQQLTIBHBX-NSHDSACASA-N -2 0 347.371 2.329 20 0 EEADRL O=C([O-])/C=C\c1ccc(C(=O)[N-]S(=O)(=O)CCC2CCCC2)o1 ZINC001601878010 1350388124 /nfs/dbraw/zinc/38/81/24/1350388124.db2.gz SDNQPDLDSJFTBN-VURMDHGXSA-N -2 0 341.385 2.017 20 0 EEADRL O=C([O-])/C=C\c1ccc(S(=O)(=O)[N-]c2cncc(Cl)n2)cc1 ZINC001601883620 1350390133 /nfs/dbraw/zinc/39/01/33/1350390133.db2.gz DKVXEAWZDDUBOL-UTCJRWHESA-N -2 0 339.760 2.029 20 0 EEADRL O=C([O-])c1nscc1[N-]S(=O)(=O)/C=C/c1ccccc1F ZINC001602587212 1350552046 /nfs/dbraw/zinc/55/20/46/1350552046.db2.gz XNHDWRYWARKENX-AATRIKPKSA-N -2 0 328.346 2.393 20 0 EEADRL CC(C)=C[C@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1(C)C ZINC001603706947 1350746340 /nfs/dbraw/zinc/74/63/40/1350746340.db2.gz PEEVLDKHQLLPAK-JQWIXIFHSA-N -2 0 341.385 2.021 20 0 EEADRL CC1(c2cc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)no2)CCCC1 ZINC001604595265 1350966882 /nfs/dbraw/zinc/96/68/82/1350966882.db2.gz DSNJEEDBIKGFOS-UHFFFAOYSA-N -2 0 339.373 2.333 20 0 EEADRL CCCC1(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)CC1 ZINC001605220934 1351107870 /nfs/dbraw/zinc/10/78/70/1351107870.db2.gz GZOLRVYAGGLBNV-UHFFFAOYSA-N -2 0 325.386 2.078 20 0 EEADRL COCC1(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC(C)C)CC1 ZINC001606842299 1351365625 /nfs/dbraw/zinc/36/56/25/1351365625.db2.gz FMIYOMIOTSJXJN-UHFFFAOYSA-N -2 0 343.401 2.093 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)cc1C(=O)[O-] ZINC001607984603 1351597947 /nfs/dbraw/zinc/59/79/47/1351597947.db2.gz FQIATOWWQGABAG-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL Cc1n[nH]c2cc([N-]S(=O)(=O)c3cnc(C)c(C(=O)[O-])c3)ccc12 ZINC001607984550 1351598028 /nfs/dbraw/zinc/59/80/28/1351598028.db2.gz DTFCZICYRCELPF-UHFFFAOYSA-N -2 0 346.368 2.074 20 0 EEADRL Cc1oc(C(C)C)cc1C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001608042473 1351612266 /nfs/dbraw/zinc/61/22/66/1351612266.db2.gz VAYOILRCBAXJBW-UHFFFAOYSA-N -2 0 341.341 2.121 20 0 EEADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cnc(Cl)nc2)c1 ZINC001187545103 1368250282 /nfs/dbraw/zinc/25/02/82/1368250282.db2.gz DHPOVIIWBKSBIL-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)c3ncc4ccccc4c3O)[C@@H]2C1 ZINC000907956119 784984825 /nfs/dbraw/zinc/98/48/25/784984825.db2.gz BGYUCJXMSYMWFO-WVWOOGAGSA-N -2 0 326.352 2.170 20 0 EEADRL Cc1ccsc1CCCC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910181980 786514694 /nfs/dbraw/zinc/51/46/94/786514694.db2.gz GBAGLBKYXCEAFE-RYUDHWBXSA-N -2 0 339.413 2.156 20 0 EEADRL CC(C)(C)c1cccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1 ZINC000910183533 786515775 /nfs/dbraw/zinc/51/57/75/786515775.db2.gz MGSMLHPHTMROSG-JSGCOSHPSA-N -2 0 333.384 2.374 20 0 EEADRL C[C@H](CC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000910188601 786521163 /nfs/dbraw/zinc/52/11/63/786521163.db2.gz MUMNLPMTIBWXRM-QKCSRTOESA-N -2 0 337.347 2.096 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCc1ccc(Cl)cc1 ZINC000910189875 786522272 /nfs/dbraw/zinc/52/22/72/786522272.db2.gz VPDFRCAWZQHBCZ-WCQYABFASA-N -2 0 339.775 2.049 20 0 EEADRL Cc1ccc(C(=O)N[N-]C(=O)c2nn(-c3ccccc3)cc2[O-])s1 ZINC000010158916 786645703 /nfs/dbraw/zinc/64/57/03/786645703.db2.gz YQKBQWHMVNEIIC-UHFFFAOYSA-N -2 0 342.380 2.023 20 0 EEADRL Cc1c(C)c(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])ccc1O ZINC001148926328 792814333 /nfs/dbraw/zinc/81/43/33/792814333.db2.gz JOYUTUVZTGYPQM-UHFFFAOYSA-N -2 0 337.353 2.214 20 0 EEADRL COc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(N)ccc1C ZINC001174677373 797830417 /nfs/dbraw/zinc/83/04/17/797830417.db2.gz JLYDFSMQFQCXJK-UHFFFAOYSA-N -2 0 336.369 2.085 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cccc3cnn(C)c32)cc1C(=O)[O-] ZINC001184696233 802132159 /nfs/dbraw/zinc/13/21/59/802132159.db2.gz SQQXUKJWVMFYFV-UHFFFAOYSA-N -2 0 345.380 2.381 20 0 EEADRL Cc1cc(C(=O)Nc2cccc3ocnc32)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000791005881 809021532 /nfs/dbraw/zinc/02/15/32/809021532.db2.gz ZSZJRMZVWNYTTB-UHFFFAOYSA-N -2 0 337.295 2.138 20 0 EEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)ccnc1C ZINC000323539162 971013602 /nfs/dbraw/zinc/01/36/02/971013602.db2.gz NYZYCZWYRPBVTH-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL O=C([O-])COc1ccc(C(=O)Nc2ccccc2CC(=O)[O-])cc1 ZINC001595119133 951961577 /nfs/dbraw/zinc/96/15/77/951961577.db2.gz IXLOJOZXAZFQLR-UHFFFAOYSA-N -2 0 329.308 2.029 20 0 EEADRL O=C([O-])C1(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)CCCCCC1 ZINC001594871376 954360339 /nfs/dbraw/zinc/36/03/39/954360339.db2.gz ZWBOKLHKOGJXFG-UHFFFAOYSA-N -2 0 345.355 2.394 20 0 EEADRL Cc1nc2cc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)ccc2[nH]1 ZINC000387039918 972098973 /nfs/dbraw/zinc/09/89/73/972098973.db2.gz HFOSLYHBYKIJEJ-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)s1 ZINC000038058538 957351998 /nfs/dbraw/zinc/35/19/98/957351998.db2.gz VFSAGVIKICZGLH-UHFFFAOYSA-N -2 0 328.327 2.155 20 0 EEADRL CC(C)n1cnc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])c(F)c2)c1 ZINC000132087835 958764305 /nfs/dbraw/zinc/76/43/05/958764305.db2.gz ODLBBVAHZGGYCM-UHFFFAOYSA-N -2 0 345.327 2.241 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnn2C2CCC2)ccc1F ZINC001186150668 960538273 /nfs/dbraw/zinc/53/82/73/960538273.db2.gz KCEWQVXCMUPDHR-UHFFFAOYSA-N -2 0 339.348 2.246 20 0 EEADRL O=C([O-])COc1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000321314904 970760423 /nfs/dbraw/zinc/76/04/23/970760423.db2.gz PMLJAWYSIWTYAL-UHFFFAOYSA-N -2 0 343.307 2.229 20 0 EEADRL CC(C)c1ccc(NC(=O)C(=O)[N-]OC/C=C\Cl)c(C(=O)[O-])c1 ZINC001591963093 976551610 /nfs/dbraw/zinc/55/16/10/976551610.db2.gz VFNWHOCIYNUUJR-UTCJRWHESA-N -2 0 340.763 2.247 20 0 EEADRL CC[C@@H](CC(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1)C(C)C ZINC001595029815 979161596 /nfs/dbraw/zinc/16/15/96/979161596.db2.gz GUIKGUXQXXIRQI-BBYOUEMTSA-N -2 0 325.405 2.083 20 0 EEADRL CCC[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001595585973 981527790 /nfs/dbraw/zinc/52/77/90/981527790.db2.gz KGVSXDQRIWRTBU-SECBINFHSA-N -2 0 348.446 2.109 20 0 EEADRL CCC[C@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001595622972 981715605 /nfs/dbraw/zinc/71/56/05/981715605.db2.gz YYSDHMVNHRBYDI-WDEREUQCSA-N -2 0 343.401 2.308 20 0 EEADRL CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC001594721045 987201867 /nfs/dbraw/zinc/20/18/67/987201867.db2.gz JUBIQNLPSNKXET-UHFFFAOYSA-N -2 0 339.325 2.077 20 0 EEADRL CSCC(C)(C)NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001599790256 987994889 /nfs/dbraw/zinc/99/48/89/987994889.db2.gz DMFBYGDLPSDKOE-UHFFFAOYSA-N -2 0 339.385 2.083 20 0 EEADRL CCc1nc([N-]S(=O)(=O)c2ccc(F)cc2F)sc1C(=O)[O-] ZINC001597685591 988837479 /nfs/dbraw/zinc/83/74/79/988837479.db2.gz SOODCXUKGQOYRP-UHFFFAOYSA-N -2 0 348.352 2.483 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cn(C)nc1C(C)C ZINC001597790434 989310744 /nfs/dbraw/zinc/31/07/44/989310744.db2.gz BKDLWEMWKIFWND-UHFFFAOYSA-N -2 0 341.389 2.198 20 0 EEADRL CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC001591428923 992520866 /nfs/dbraw/zinc/52/08/66/992520866.db2.gz UNJOPKUEJDSEFS-ZDUSSCGKSA-N -2 0 331.372 2.149 20 0 EEADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccsc1C(=O)[O-] ZINC001598538369 992868469 /nfs/dbraw/zinc/86/84/69/992868469.db2.gz QRLDYFPDKRHGSA-UHFFFAOYSA-N -2 0 349.393 2.429 20 0 EEADRL C[C@@H](Sc1ccccc1C(=O)N1CC[C@@](C)(C(=O)[O-])C1)C(=O)[O-] ZINC001593667514 996058499 /nfs/dbraw/zinc/05/84/99/996058499.db2.gz GEVGSGQZIKGDMK-QLJPJBMISA-N -2 0 337.397 2.189 20 0 EEADRL COc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001599420903 997592276 /nfs/dbraw/zinc/59/22/76/997592276.db2.gz KMZYMGWNZSTSRM-UHFFFAOYSA-N -2 0 331.733 2.441 20 0 EEADRL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])nc1 ZINC001599579932 998510445 /nfs/dbraw/zinc/51/04/45/998510445.db2.gz NCAJHTZNIKKMOF-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL C[C@@H]1CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C[C@H]1C(=O)[O-] ZINC001594406378 999521686 /nfs/dbraw/zinc/52/16/86/999521686.db2.gz WVHVNQFRCGKITM-AQNFWKISSA-N -2 0 346.383 2.449 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc(C(=O)[O-])c1 ZINC000350510582 539874525 /nfs/dbraw/zinc/87/45/25/539874525.db2.gz DEWSWJIXKIQIKS-UHFFFAOYSA-N -3 0 341.366 2.254 20 0 EEADRL CCN(c1cccc(O)c1)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000352264377 539886334 /nfs/dbraw/zinc/88/63/34/539886334.db2.gz CNWHAPSZMDTIEL-UHFFFAOYSA-N -2 0 337.353 2.011 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2)cc1C(=O)[O-] ZINC000266621454 248387094 /nfs/dbraw/zinc/38/70/94/248387094.db2.gz SZJSVCVGLYSKDZ-UHFFFAOYSA-N -2 0 337.401 2.347 20 0 EEADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)cc1C(=O)[O-] ZINC000375646431 167174184 /nfs/dbraw/zinc/17/41/84/167174184.db2.gz FLUYBECMVAWNGD-UHFFFAOYSA-N -2 0 349.412 2.335 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)cc1C(=O)[O-] ZINC000547499175 318294214 /nfs/dbraw/zinc/29/42/14/318294214.db2.gz DRRDJHPJTWLVPY-UHFFFAOYSA-N -2 0 333.369 2.488 20 0 EEADRL CCn1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1C ZINC000075081737 462673087 /nfs/dbraw/zinc/67/30/87/462673087.db2.gz MTLYYJBTSFSQFF-UHFFFAOYSA-N -2 0 341.364 2.158 20 0 EEADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000047202288 462755494 /nfs/dbraw/zinc/75/54/94/462755494.db2.gz VWRCYQLFMQTNLR-UHFFFAOYSA-N -2 0 340.288 2.233 20 0 EEADRL CC(C)(C)n1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cn1 ZINC000065833935 462832102 /nfs/dbraw/zinc/83/21/02/462832102.db2.gz HXYKVWCDWRONTK-UHFFFAOYSA-N -2 0 329.403 2.199 20 0 EEADRL Cc1cnc(-c2cccc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)c2)o1 ZINC000066814629 462933580 /nfs/dbraw/zinc/93/35/80/462933580.db2.gz AYKADTIAASDQHY-UHFFFAOYSA-N -2 0 347.352 2.477 20 0 EEADRL O=C(NCc1n[nH]c(=O)[n-]1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000156055549 462973799 /nfs/dbraw/zinc/97/37/99/462973799.db2.gz MAWOGRBTLVZZFR-UHFFFAOYSA-N -2 0 344.758 2.054 20 0 EEADRL CC(C)(C)OCc1cc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)no1 ZINC000184860394 463707670 /nfs/dbraw/zinc/70/76/70/463707670.db2.gz VOJALNHPCQQYFO-UHFFFAOYSA-N -2 0 333.270 2.379 20 0 EEADRL CC(C)CCn1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n1 ZINC000178223343 463863482 /nfs/dbraw/zinc/86/34/82/463863482.db2.gz KINGNMOEDGNOES-UHFFFAOYSA-N -2 0 337.401 2.428 20 0 EEADRL N#Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])s1 ZINC000230326210 464203759 /nfs/dbraw/zinc/20/37/59/464203759.db2.gz PUUNICUFJXTNIR-UHFFFAOYSA-N -2 0 326.330 2.258 20 0 EEADRL CCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1C(=O)[O-] ZINC000350742288 466594081 /nfs/dbraw/zinc/59/40/81/466594081.db2.gz VVGRCVMENHICNL-UHFFFAOYSA-N -2 0 349.364 2.446 20 0 EEADRL CCn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)n1 ZINC000656635028 471792499 /nfs/dbraw/zinc/79/24/99/471792499.db2.gz MODSZIRPHHOAMT-UHFFFAOYSA-N -2 0 349.412 2.281 20 0 EEADRL CCCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cn1 ZINC000743261357 577882397 /nfs/dbraw/zinc/88/23/97/577882397.db2.gz AMESKINOJFAULP-UHFFFAOYSA-N -2 0 337.401 2.409 20 0 EEADRL C[C@@H](CN(Cc1ccccc1)C(=O)c1ccc(C(=O)[O-])nc1)C(=O)[O-] ZINC000736583123 578213109 /nfs/dbraw/zinc/21/31/09/578213109.db2.gz KNBIWBFJJULNLX-LBPRGKRZSA-N -2 0 342.351 2.143 20 0 EEADRL CC1=C(C(=O)[O-])[C@@H](c2ccsc2)NC(=O)N1CCCCC(=O)[O-] ZINC000736750089 578221753 /nfs/dbraw/zinc/22/17/53/578221753.db2.gz IAYNKLIQEORROQ-CYBMUJFWSA-N -2 0 338.385 2.428 20 0 EEADRL C[NH+](C)Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000387178045 600361052 /nfs/dbraw/zinc/36/10/52/600361052.db2.gz WGIOCYGPKJDFBR-UHFFFAOYSA-N -2 0 340.426 2.309 20 0 EEADRL O=C([O-])Cn1cc(NC(=O)c2c([O-])cc(Cl)cc2Cl)cn1 ZINC000833273278 601210434 /nfs/dbraw/zinc/21/04/34/601210434.db2.gz GNACEJMEHAPBEV-UHFFFAOYSA-N -2 0 330.127 2.232 20 0 EEADRL CC(C)c1cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])no1 ZINC000827112462 601362501 /nfs/dbraw/zinc/36/25/01/601362501.db2.gz JHJGQRZDLPYFDB-UHFFFAOYSA-N -2 0 328.321 2.436 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2nnc(C(C)C)s2)cc1C(=O)[O-] ZINC000832956510 601504048 /nfs/dbraw/zinc/50/40/48/601504048.db2.gz JGJHBDSNWLILKJ-UHFFFAOYSA-N -2 0 341.414 2.469 20 0 EEADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CC[C@H](C(=O)[O-])C3)n2)c1 ZINC000817985876 601756214 /nfs/dbraw/zinc/75/62/14/601756214.db2.gz FUWVGHYHXXNTBT-ZDUSSCGKSA-N -2 0 343.383 2.248 20 0 EEADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cc(Cl)ccc1O ZINC000833344853 601841478 /nfs/dbraw/zinc/84/14/78/601841478.db2.gz DWSWSHHWGYLVCA-UHFFFAOYSA-N -2 0 334.762 2.001 20 0 EEADRL CCC[C@H](C)c1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n[nH]1 ZINC000829217053 602102107 /nfs/dbraw/zinc/10/21/07/602102107.db2.gz XRCHVHSOPQKHAV-QMMMGPOBSA-N -2 0 326.378 2.140 20 0 EEADRL COC(=O)c1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cs1 ZINC000831457286 602115696 /nfs/dbraw/zinc/11/56/96/602115696.db2.gz ARVUIOALGKEYJZ-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL O=C([O-])c1ccc(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)cc1F ZINC000833154117 604997183 /nfs/dbraw/zinc/99/71/83/604997183.db2.gz WQBYZJULEZKFQV-UHFFFAOYSA-N -2 0 343.270 2.120 20 0 EEADRL CC1(C)CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000833557691 605083357 /nfs/dbraw/zinc/08/33/57/605083357.db2.gz WOSWHYSKIIWDPW-MRVPVSSYSA-N -2 0 331.415 2.078 20 0 EEADRL CCCn1cc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)cn1 ZINC000134150446 1202283870 /nfs/dbraw/zinc/28/38/70/1202283870.db2.gz OBUYLRZCBNHYHW-UHFFFAOYSA-N -2 0 341.364 2.240 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]NC(=O)c2ccccc2F)c(F)cc1F ZINC000084649922 1211568714 /nfs/dbraw/zinc/56/87/14/1211568714.db2.gz FGWCWCXRNRCSQE-UHFFFAOYSA-N -2 0 344.314 2.036 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2OCC3)ccc1F ZINC001186183807 1278981661 /nfs/dbraw/zinc/98/16/61/1278981661.db2.gz HINAIEZUHFCNGV-UHFFFAOYSA-N -2 0 337.328 2.260 20 0 EEADRL CCc1cccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)n1 ZINC001192113523 1281804079 /nfs/dbraw/zinc/80/40/79/1281804079.db2.gz OYKXUBQBCRZGFQ-UHFFFAOYSA-N -2 0 334.397 2.462 20 0 EEADRL N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000321929765 1300981287 /nfs/dbraw/zinc/98/12/87/1300981287.db2.gz SDNMIUOYHKWDKF-UHFFFAOYSA-N -2 0 338.291 2.335 20 0 EEADRL O=S(=O)([N-]c1cccnc1CO)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260869181 1319992818 /nfs/dbraw/zinc/99/28/18/1319992818.db2.gz FAINIGGURZEFKU-UHFFFAOYSA-N -2 0 349.195 2.387 20 0 EEADRL Cc1cc(F)cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1O ZINC001260190028 1319820739 /nfs/dbraw/zinc/82/07/39/1319820739.db2.gz WOARNUFYYXVIET-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL O=C([O-])c1cncc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1 ZINC001602543577 1350542567 /nfs/dbraw/zinc/54/25/67/1350542567.db2.gz LCWINNKVUZFOAR-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])[C@@H](Cc1ccccc1O)NC(=O)c1ccc([O-])c(Cl)c1 ZINC001608402599 1351688056 /nfs/dbraw/zinc/68/80/56/1351688056.db2.gz VHSWCUXSMAWSEX-GFCCVEGCSA-N -2 0 335.743 2.177 20 0 EEADRL O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])C1 ZINC001608621256 1351727818 /nfs/dbraw/zinc/72/78/18/1351727818.db2.gz DAMFPXCBCVWYDR-UMVBOHGHSA-N -2 0 331.368 2.088 20 0 EEADRL O=C([O-])C[C@@H](NC(=O)CSc1n[n-]c(=S)s1)C1CCCC1 ZINC001608670577 1351738277 /nfs/dbraw/zinc/73/82/77/1351738277.db2.gz LHWPLDOGAYETLV-MRVPVSSYSA-N -2 0 347.487 2.069 20 0 EEADRL O=C([O-])CCC(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001608704870 1351745239 /nfs/dbraw/zinc/74/52/39/1351745239.db2.gz DCLPVOYNNJHDCC-CQSZACIVSA-N -2 0 329.352 2.064 20 0 EEADRL O=C([O-])CSCc1cccc([N-]S(=O)(=O)c2ccco2)c1 ZINC001608768563 1351759050 /nfs/dbraw/zinc/75/90/50/1351759050.db2.gz CCBSVQABCSFXTJ-UHFFFAOYSA-N -2 0 327.383 2.398 20 0 EEADRL O=C([O-])c1cc(CN[C@H](C(=O)[O-])c2ccsc2)n2c1CCCC2 ZINC001608843105 1351776937 /nfs/dbraw/zinc/77/69/37/1351776937.db2.gz RVAJDJPMQAARCJ-AWEZNQCLSA-N -2 0 334.397 2.500 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@H](CC2CC2)c2ccccc2)on1 ZINC001608859856 1351780357 /nfs/dbraw/zinc/78/03/57/1351780357.db2.gz KZNLJPCAOUXGFY-GFCCVEGCSA-N -2 0 336.369 2.193 20 0 EEADRL O=C([O-])c1cccc2c1OCCN(C(=O)c1c([O-])cccc1F)C2 ZINC001608942719 1351799610 /nfs/dbraw/zinc/79/96/10/1351799610.db2.gz RBBOOPDWYYERPF-UHFFFAOYSA-N -2 0 331.299 2.264 20 0 EEADRL C[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2C(=O)[O-])C1 ZINC001609844733 1352099321 /nfs/dbraw/zinc/09/93/21/1352099321.db2.gz KYVGSZNOJMWLJD-DTWKUNHWSA-N -2 0 345.804 2.279 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2sccc2C(=O)[O-])cc1OC ZINC001610350093 1352209017 /nfs/dbraw/zinc/20/90/17/1352209017.db2.gz SZCBPGIGDGQEHC-UHFFFAOYSA-N -2 0 343.382 2.264 20 0 EEADRL Cc1c(NS(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cccc1C(=O)[O-] ZINC001610427288 1352221218 /nfs/dbraw/zinc/22/12/18/1352221218.db2.gz QXCHPDUOTAUSPH-YPMHNXCESA-N -2 0 341.385 2.078 20 0 EEADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1nccc2ccncc21 ZINC001610806446 1352277979 /nfs/dbraw/zinc/27/79/79/1352277979.db2.gz GGURELVDKIWAFQ-UHFFFAOYSA-N -2 0 347.327 2.268 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)cn1 ZINC001610839737 1352283253 /nfs/dbraw/zinc/28/32/53/1352283253.db2.gz APFVNVNFFITOGX-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cn(C(C)C)cn2)c(C(=O)[O-])s1 ZINC001600283857 1350010564 /nfs/dbraw/zinc/01/05/64/1350010564.db2.gz GYPLNLGQVAEUMJ-UHFFFAOYSA-N -2 0 329.403 2.333 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)CC2(C(=O)[O-])CCCC2)c2n[nH]cc21 ZINC001600463762 1350058062 /nfs/dbraw/zinc/05/80/62/1350058062.db2.gz NRBQNHGRLJTMKN-UHFFFAOYSA-N -2 0 337.401 2.258 20 0 EEADRL Cc1cnn(-c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccoc2)c1 ZINC001600636224 1350103248 /nfs/dbraw/zinc/10/32/48/1350103248.db2.gz UHVSRZXIHYNZCZ-UHFFFAOYSA-N -2 0 347.352 2.273 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001600834549 1350147793 /nfs/dbraw/zinc/14/77/93/1350147793.db2.gz VHNIKFAGVVFZIT-FXPVBKGRSA-N -2 0 343.401 2.163 20 0 EEADRL Cc1sc(NC(=O)C(=O)[N-]OC2CCCCC2)c(C(=O)[O-])c1C ZINC001600884034 1350159908 /nfs/dbraw/zinc/15/99/08/1350159908.db2.gz ZEFPHTSRHJAAKD-UHFFFAOYSA-N -2 0 340.401 2.382 20 0 EEADRL O=C([O-])[C@@H](NC(=O)c1s[n-]c(=O)c1Cl)c1cc(F)ccc1F ZINC001601395644 1350273718 /nfs/dbraw/zinc/27/37/18/1350273718.db2.gz DZFBNZVQYYZUGZ-QMMMGPOBSA-N -2 0 348.714 2.336 20 0 EEADRL O=C([O-])[C@@H](CNC(=O)c1cc(F)cc(F)c1[O-])c1ccc(F)cc1 ZINC001601458384 1350288520 /nfs/dbraw/zinc/28/85/20/1350288520.db2.gz NHXUDXLWUZNAJA-LBPRGKRZSA-N -2 0 339.269 2.408 20 0 EEADRL O=C([O-])c1ccc(NC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)s1 ZINC001601599187 1350316087 /nfs/dbraw/zinc/31/60/87/1350316087.db2.gz IHCZLUWEIXZAEL-UHFFFAOYSA-N -2 0 331.309 2.042 20 0 EEADRL O=C([O-])C1(CS(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)CCC1 ZINC001601711829 1350345415 /nfs/dbraw/zinc/34/54/15/1350345415.db2.gz ARRAOCKDXQDSPO-LLVKDONJSA-N -2 0 333.356 2.167 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnc3ccccc3c2)cn1 ZINC001602401992 1350511117 /nfs/dbraw/zinc/51/11/17/1350511117.db2.gz AJUHYNKKYKVFTL-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL O=C([O-])c1cccc2[nH]c([N-]S(=O)(=O)c3cccc(F)c3)nc21 ZINC001602453924 1350522885 /nfs/dbraw/zinc/52/28/85/1350522885.db2.gz BFKXNAGUUUGKBT-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)c2c([O-])cccc2F)C1 ZINC001602621833 1350559555 /nfs/dbraw/zinc/55/95/55/1350559555.db2.gz CXRZSIVOWRFGTJ-SFHVURJKSA-N -2 0 329.327 2.400 20 0 EEADRL C[C@@H](C(=O)[O-])c1cccc([N-]S(=O)(=O)c2cn(C)c(Cl)n2)c1 ZINC001603221265 1350664578 /nfs/dbraw/zinc/66/45/78/1350664578.db2.gz JAHQWLDAUSBXMR-MRVPVSSYSA-N -2 0 343.792 2.062 20 0 EEADRL CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC001603253708 1350673473 /nfs/dbraw/zinc/67/34/73/1350673473.db2.gz XRQGENAGHGGEAL-AWEZNQCLSA-N -2 0 348.399 2.417 20 0 EEADRL CC(C)CC1(C(=O)N2C[C@@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)CCC1 ZINC001603783370 1350766939 /nfs/dbraw/zinc/76/69/39/1350766939.db2.gz YQAUWYYZFAFETB-XYEKJYRLSA-N -2 0 337.416 2.227 20 0 EEADRL C[C@H](NC(=O)c1ccc(F)cc1[O-])c1ccc(OCC(=O)[O-])cc1 ZINC001604312030 1350913390 /nfs/dbraw/zinc/91/33/90/1350913390.db2.gz SLJLRNSVBSIIFH-JTQLQIEISA-N -2 0 333.315 2.486 20 0 EEADRL CC1(C)CCC[C@@](NC(=O)c2ccc3oc(=O)nc-3[n-]2)(C(=O)[O-])C1 ZINC001604529772 1350956182 /nfs/dbraw/zinc/95/61/82/1350956182.db2.gz JDAWPPQXNATQIM-INIZCTEOSA-N -2 0 333.344 2.082 20 0 EEADRL C[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001604727270 1350992373 /nfs/dbraw/zinc/99/23/73/1350992373.db2.gz YSPQADYUUZOLMV-BDAKNGLRSA-N -2 0 331.415 2.078 20 0 EEADRL CCO[C@@H](CS(=O)(=O)[N-]c1c(F)ccc(F)c1C(=O)[O-])C1CC1 ZINC001605592603 1351197103 /nfs/dbraw/zinc/19/71/03/1351197103.db2.gz BUAKCNPOCYGPBX-NSHDSACASA-N -2 0 349.355 2.220 20 0 EEADRL Cc1[nH]c(C(=O)CN2CCC[C@@H](CCC(=O)[O-])C2)c(C)c1C(=O)[O-] ZINC001607485641 1351501793 /nfs/dbraw/zinc/50/17/93/1351501793.db2.gz JQRPPQUIIKPPBM-LBPRGKRZSA-N -2 0 336.388 2.089 20 0 EEADRL Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC001607616376 1351525862 /nfs/dbraw/zinc/52/58/62/1351525862.db2.gz HCOBCYCURGNMGT-UHFFFAOYSA-N -2 0 346.305 2.397 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2cccc3c2OCCO3)c1C(=O)[O-] ZINC001607862790 1351573845 /nfs/dbraw/zinc/57/38/45/1351573845.db2.gz AXGFIZLUUNIBIV-UHFFFAOYSA-N -2 0 349.364 2.265 20 0 EEADRL Cc1cnc(OC(C)C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1 ZINC001607911104 1351584224 /nfs/dbraw/zinc/58/42/24/1351584224.db2.gz WPVSLBZLOQYIBA-UHFFFAOYSA-N -2 0 340.357 2.269 20 0 EEADRL Cc1cccc(CO[N-]C(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)n1 ZINC000907848990 784904360 /nfs/dbraw/zinc/90/43/60/784904360.db2.gz AFVUGKBKZFOZTP-MAUKXSAKSA-N -2 0 326.352 2.196 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000910186448 786518370 /nfs/dbraw/zinc/51/83/70/786518370.db2.gz RICJWYICOBNLKB-HQJQHLMTSA-N -2 0 346.166 2.383 20 0 EEADRL CCC(=O)[N-][N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000057734809 789672477 /nfs/dbraw/zinc/67/24/77/789672477.db2.gz JMWNHUITUFNZKA-UHFFFAOYSA-N -2 0 330.715 2.078 20 0 EEADRL O=C(Cc1ccc2[nH]c3ccccc3c2c1)NCCOP(=O)([O-])[O-] ZINC001182068696 801020814 /nfs/dbraw/zinc/02/08/14/801020814.db2.gz QXOXGJUKPHOVDT-UHFFFAOYSA-N -2 0 348.295 2.089 20 0 EEADRL CC(=O)c1cccc(O)c1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184699248 802133709 /nfs/dbraw/zinc/13/37/09/802133709.db2.gz OWVYBDYWXLHZAP-UHFFFAOYSA-N -2 0 349.364 2.402 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)s1 ZINC000321615403 970788800 /nfs/dbraw/zinc/78/88/00/970788800.db2.gz MIISQTOZRULKNI-UHFFFAOYSA-N -2 0 349.393 2.433 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2F)nc1 ZINC000041115395 948866805 /nfs/dbraw/zinc/86/68/05/948866805.db2.gz GJFHVZIEDIOJPH-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])CCCC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001595027931 951359006 /nfs/dbraw/zinc/35/90/06/951359006.db2.gz ZJJPMLQIHWANAG-UHFFFAOYSA-N -2 0 340.184 2.053 20 0 EEADRL O=C([O-])CN(CC1CC1)C(=O)c1cccc(Br)c1[O-] ZINC001595072032 951602383 /nfs/dbraw/zinc/60/23/83/951602383.db2.gz ISWODWWKRVGRQD-UHFFFAOYSA-N -2 0 328.162 2.092 20 0 EEADRL O=C([O-])[C@H]1CN(C(=O)c2s[n-]c(=O)c2Cl)Cc2ccccc21 ZINC001594953843 954969308 /nfs/dbraw/zinc/96/93/08/954969308.db2.gz PJMRCMIFXCDVQG-VIFPVBQESA-N -2 0 338.772 2.326 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)cn1 ZINC000128265004 958650845 /nfs/dbraw/zinc/65/08/45/958650845.db2.gz LHWXORAXPUOAMQ-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ncccc1C(=O)[O-] ZINC001594383129 958651154 /nfs/dbraw/zinc/65/11/54/958651154.db2.gz PEQCWOIZRIBXHF-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL CC(C)(CCc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000315522985 963911393 /nfs/dbraw/zinc/91/13/93/963911393.db2.gz AKRMCKSWAJDPRV-UHFFFAOYSA-N -2 0 338.385 2.063 20 0 EEADRL Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000319515480 970543846 /nfs/dbraw/zinc/54/38/46/970543846.db2.gz IWICHZNAGGSZLI-UHFFFAOYSA-N -2 0 337.401 2.200 20 0 EEADRL CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-] ZINC001595126249 979515943 /nfs/dbraw/zinc/51/59/43/979515943.db2.gz SYVIRZFLBNXYJC-NQBHXWOUSA-N -2 0 333.450 2.148 20 0 EEADRL CC[C@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001595434994 981061684 /nfs/dbraw/zinc/06/16/84/981061684.db2.gz DMJRULARJRIILD-IUCAKERBSA-N -2 0 331.415 2.078 20 0 EEADRL CCCCc1cnc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)nc1 ZINC001595797653 982608074 /nfs/dbraw/zinc/60/80/74/982608074.db2.gz RMWGYZMLPSPHNK-UHFFFAOYSA-N -2 0 349.412 2.247 20 0 EEADRL CCSCc1cc(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)no1 ZINC001597264151 987290541 /nfs/dbraw/zinc/29/05/41/987290541.db2.gz PVBRRLZKOUWSSJ-UHFFFAOYSA-N -2 0 342.402 2.049 20 0 EEADRL CCc1cc([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])nc(C)n1 ZINC001597482715 987981110 /nfs/dbraw/zinc/98/11/10/987981110.db2.gz VYBKLQYYOAQBLV-UHFFFAOYSA-N -2 0 341.414 2.216 20 0 EEADRL CSc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cn1 ZINC001599820035 988496032 /nfs/dbraw/zinc/49/60/32/988496032.db2.gz ORPYYICYGMHOMR-UHFFFAOYSA-N -2 0 338.410 2.231 20 0 EEADRL CSc1cccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)n1 ZINC001599823601 988557916 /nfs/dbraw/zinc/55/79/16/988557916.db2.gz ZIFNOKXCLYPCIZ-UHFFFAOYSA-N -2 0 330.412 2.364 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(SC)cn1 ZINC001597792130 989330732 /nfs/dbraw/zinc/33/07/32/989330732.db2.gz YQVCDLGUHYVJMO-UHFFFAOYSA-N -2 0 342.398 2.458 20 0 EEADRL CC(C)N(C)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001591562584 992770377 /nfs/dbraw/zinc/77/03/77/992770377.db2.gz VXDWXPKLANNUOT-UHFFFAOYSA-N -2 0 349.412 2.425 20 0 EEADRL C[C@@H]1CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001594364316 999376908 /nfs/dbraw/zinc/37/69/08/999376908.db2.gz YHNRALVTTHIZEM-NXEZZACHSA-N -2 0 345.442 2.468 20 0 EEADRL CCc1onc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000291897854 275351040 /nfs/dbraw/zinc/35/10/40/275351040.db2.gz KLPCYTODZLJUKW-UHFFFAOYSA-N -2 0 342.348 2.492 20 0 EEADRL CC[C@H](CCC(=O)[O-])NS(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000297122894 294157766 /nfs/dbraw/zinc/15/77/66/294157766.db2.gz GOMABGBGQQLLPC-SSDOTTSWSA-N -2 0 341.216 2.310 20 0 EEADRL CCc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1C(=O)[O-] ZINC000441388389 315184530 /nfs/dbraw/zinc/18/45/30/315184530.db2.gz UMRBJJCQISLFSX-UHFFFAOYSA-N -2 0 349.364 2.446 20 0 EEADRL CC[C@@H](C)c1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cn1 ZINC000358490552 465155282 /nfs/dbraw/zinc/15/52/82/465155282.db2.gz BHAASVIDDBDOPO-MRVPVSSYSA-N -2 0 339.373 2.391 20 0 EEADRL C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cn1 ZINC000187731517 464156473 /nfs/dbraw/zinc/15/64/73/464156473.db2.gz DFXQRFDHVRFJKN-QMMMGPOBSA-N -2 0 341.414 2.415 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2ccn(C(C)C)n2)sc1C(=O)[O-] ZINC000280969541 464284121 /nfs/dbraw/zinc/28/41/21/464284121.db2.gz LFYMAHILXMMQJZ-UHFFFAOYSA-N -2 0 329.403 2.333 20 0 EEADRL CC(C)n1cc(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)cn1 ZINC000356734695 465513205 /nfs/dbraw/zinc/51/32/05/465513205.db2.gz YTQBWCNBWSQXRW-UHFFFAOYSA-N -2 0 348.384 2.444 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)oc32)cc1 ZINC000357327473 465951794 /nfs/dbraw/zinc/95/17/94/465951794.db2.gz DXAHVRAIPROZIO-UHFFFAOYSA-N -2 0 334.309 2.032 20 0 EEADRL CC[C@H](C)N(CC(=O)[O-])C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000562462716 468963276 /nfs/dbraw/zinc/96/32/76/468963276.db2.gz RTOXHKXVXLZNKG-JTQLQIEISA-N -2 0 335.335 2.042 20 0 EEADRL Cc1oc(S(=O)(=O)N[C@@H]2CCOC3(CCCC3)C2)cc1C(=O)[O-] ZINC000645987762 470483992 /nfs/dbraw/zinc/48/39/92/470483992.db2.gz FDVUJXIZIPCIBB-LLVKDONJSA-N -2 0 343.401 2.056 20 0 EEADRL CC(C)[C@@H](C(=O)[O-])C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000647732651 470970717 /nfs/dbraw/zinc/97/07/17/470970717.db2.gz QXJHXZFRVWVVPW-OAHLLOKOSA-N -2 0 333.384 2.448 20 0 EEADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)NC[C@@H](C)C(=O)[O-])n2)cc1 ZINC000655559657 471382564 /nfs/dbraw/zinc/38/25/64/471382564.db2.gz DWFQGYCQYMKCGZ-LLVKDONJSA-N -2 0 331.372 2.152 20 0 EEADRL CSc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)nc1 ZINC000738212670 578003973 /nfs/dbraw/zinc/00/39/73/578003973.db2.gz NQSRUJFCOYUPNG-UHFFFAOYSA-N -2 0 338.410 2.231 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)sc1C(=O)[O-] ZINC000386448229 599876187 /nfs/dbraw/zinc/87/61/87/599876187.db2.gz UJNDBECHBWYXTH-UHFFFAOYSA-N -2 0 339.394 2.490 20 0 EEADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000127498040 600515434 /nfs/dbraw/zinc/51/54/34/600515434.db2.gz LNECRNFWLRBPNE-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)cc1Cl ZINC000317208864 600576396 /nfs/dbraw/zinc/57/63/96/600576396.db2.gz ZVSQHOKNEKHDID-UHFFFAOYSA-N -2 0 337.744 2.106 20 0 EEADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000079704987 600982068 /nfs/dbraw/zinc/98/20/68/600982068.db2.gz YHNUYHMDZWGNQU-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL CCn1nc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1C ZINC000072760791 601050440 /nfs/dbraw/zinc/05/04/40/601050440.db2.gz LMADJEVCMLAVAJ-UHFFFAOYSA-N -2 0 329.403 2.080 20 0 EEADRL Cc1nn(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1C ZINC000832868195 601360610 /nfs/dbraw/zinc/36/06/10/601360610.db2.gz HJIXNJSNFZRQSV-UHFFFAOYSA-N -2 0 337.401 2.153 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)n[nH]c1C1CC1 ZINC000832853415 602102827 /nfs/dbraw/zinc/10/28/27/602102827.db2.gz KHDGLYVYSRJZMP-UHFFFAOYSA-N -2 0 327.387 2.156 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cs1 ZINC000832919650 602115682 /nfs/dbraw/zinc/11/56/82/602115682.db2.gz SBXXOLAWCOPPFL-UHFFFAOYSA-N -3 0 341.366 2.254 20 0 EEADRL O=C([O-])c1csc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000833343387 602116661 /nfs/dbraw/zinc/11/66/61/602116661.db2.gz CJNGSKIZSUCFFT-UHFFFAOYSA-N -3 0 345.329 2.084 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2O)c(F)cc1F ZINC000833305884 602202071 /nfs/dbraw/zinc/20/20/71/602202071.db2.gz PCCSEWXEVUCFAB-UHFFFAOYSA-N -2 0 347.270 2.309 20 0 EEADRL CCc1oc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1C ZINC000830355178 602240218 /nfs/dbraw/zinc/24/02/18/602240218.db2.gz AVTDWGDCFIDRAZ-UHFFFAOYSA-N -2 0 343.382 2.029 20 0 EEADRL CC[C@](C)(CC(=O)[O-])NC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000828653112 602299247 /nfs/dbraw/zinc/29/92/47/602299247.db2.gz VTWCNXIXSDUNED-MRXNPFEDSA-N -2 0 335.335 2.090 20 0 EEADRL CCc1ccccc1C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000830276600 604396751 /nfs/dbraw/zinc/39/67/51/604396751.db2.gz KCYDOABOTSXKLP-UHFFFAOYSA-N -2 0 339.394 2.127 20 0 EEADRL CC(C)CCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833481429 605118959 /nfs/dbraw/zinc/11/89/59/605118959.db2.gz UPUCTVJTQXARGH-UHFFFAOYSA-N -2 0 333.793 2.279 20 0 EEADRL CCOc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)ccc1C ZINC000833660846 605188252 /nfs/dbraw/zinc/18/82/52/605188252.db2.gz VIEVNYPASITYRS-UHFFFAOYSA-N -2 0 325.342 2.486 20 0 EEADRL COc1cc(O)cc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])c1 ZINC000833728729 605597171 /nfs/dbraw/zinc/59/71/71/605597171.db2.gz KFOYTEIEJRGXGY-UHFFFAOYSA-N -2 0 341.341 2.110 20 0 EEADRL C[C@H](CN(C(=O)c1nn(-c2cccc(F)c2)cc1[O-])C1CC1)C(=O)[O-] ZINC000909456248 684068846 /nfs/dbraw/zinc/06/88/46/684068846.db2.gz DBCOGVGYGRJYJG-SNVBAGLBSA-N -2 0 347.346 2.042 20 0 EEADRL O=C([O-])c1cnc(F)c(-c2cc(C(F)(F)F)c(C(=O)[O-])nn2)c1 ZINC001244759905 1309982077 /nfs/dbraw/zinc/98/20/77/1309982077.db2.gz XATFTVTUELAHJV-UHFFFAOYSA-N -2 0 331.181 2.093 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnc(Cl)c(F)c2)cc1 ZINC001260222201 1319836381 /nfs/dbraw/zinc/83/63/81/1319836381.db2.gz QGEVMVWRNKVDHS-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=P([O-])([O-])OCCNc1nc(Cl)cc(Cc2ccccc2)n1 ZINC001157792193 1318864601 /nfs/dbraw/zinc/86/46/01/1318864601.db2.gz WMERBGDBMPMHSQ-UHFFFAOYSA-N -2 0 343.707 2.242 20 0 EEADRL Cc1cc(-c2cccc(F)c2)nnc1NCCOP(=O)([O-])[O-] ZINC001157795423 1318866758 /nfs/dbraw/zinc/86/67/58/1318866758.db2.gz CJDABQGIOCBNEV-UHFFFAOYSA-N -2 0 327.252 2.112 20 0 EEADRL COc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1OC ZINC001260221509 1319835842 /nfs/dbraw/zinc/83/58/42/1319835842.db2.gz XRRUWLMSMHVYCN-UHFFFAOYSA-N -2 0 337.353 2.203 20 0 EEADRL O=S(=O)([N-]c1ccc(Br)cc1[S-])c1cn[nH]c1 ZINC001260961389 1321988690 /nfs/dbraw/zinc/98/86/90/1321988690.db2.gz VUGNPSNZMQJZOS-UHFFFAOYSA-N -2 0 334.220 2.262 20 0 EEADRL O=C([O-])CCCS(=O)(=O)[N-][C@@H](C1CCCCC1)C(F)(F)F ZINC001608718245 1351748282 /nfs/dbraw/zinc/74/82/82/1351748282.db2.gz FXUIQXYLHODDIM-NSHDSACASA-N -2 0 331.356 2.282 20 0 EEADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cnoc2C2CC2)c1F ZINC001608850853 1351778561 /nfs/dbraw/zinc/77/85/61/1351778561.db2.gz QRWPAMQHPMVRPU-UHFFFAOYSA-N -2 0 344.295 2.329 20 0 EEADRL O=C([O-])c1ccoc1S(=O)(=O)[N-]CC(F)(F)c1ccccc1 ZINC001608956082 1351802522 /nfs/dbraw/zinc/80/25/22/1351802522.db2.gz DGJOLTQOLOYZIR-UHFFFAOYSA-N -2 0 331.296 2.048 20 0 EEADRL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)F ZINC001609003710 1351812271 /nfs/dbraw/zinc/81/22/71/1351812271.db2.gz ZHCGLXMHGDEEOQ-MRVPVSSYSA-N -2 0 348.352 2.126 20 0 EEADRL C[C@H](CC(=O)[O-])c1ccc(NS(=O)(=O)CC(C)(C)C(=O)[O-])cc1 ZINC001609735639 1352072171 /nfs/dbraw/zinc/07/21/71/1352072171.db2.gz MWEVJBQLQFJCRN-SNVBAGLBSA-N -2 0 343.401 2.117 20 0 EEADRL CSc1ccc([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)cn1 ZINC001610384963 1352214266 /nfs/dbraw/zinc/21/42/66/1352214266.db2.gz RYKVGCGXMLAMFG-UHFFFAOYSA-N -2 0 339.398 2.006 20 0 EEADRL C[C@H](c1ccccc1)[C@@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-] ZINC000849218783 1339149934 /nfs/dbraw/zinc/14/99/34/1339149934.db2.gz IQTHBEKXHWHYOB-WCABBAIRSA-N -2 0 339.335 2.114 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ncccc1OC(C)C ZINC001610579304 1352248587 /nfs/dbraw/zinc/24/85/87/1352248587.db2.gz UWXHBBNKAANQNH-UHFFFAOYSA-N -2 0 340.357 2.269 20 0 EEADRL Cc1oncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001610588669 1352249920 /nfs/dbraw/zinc/24/99/20/1352249920.db2.gz BTPZLGUILKASMJ-UHFFFAOYSA-N -2 0 334.712 2.275 20 0 EEADRL O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)C1 ZINC001610741562 1352267141 /nfs/dbraw/zinc/26/71/41/1352267141.db2.gz WVDYPQGMSIPKLS-WDEREUQCSA-N -2 0 330.344 2.007 20 0 EEADRL Cc1occc1-c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)no1 ZINC001600858645 1350154076 /nfs/dbraw/zinc/15/40/76/1350154076.db2.gz AJSIDXWLBHLHFK-UHFFFAOYSA-N -2 0 338.297 2.335 20 0 EEADRL O=C([O-])c1c(Cl)cccc1S(=O)(=O)[N-]C(=O)C=C1CCCC1 ZINC001601229271 1350236958 /nfs/dbraw/zinc/23/69/58/1350236958.db2.gz FBFKRDOHOOSMDS-UHFFFAOYSA-N -2 0 343.788 2.344 20 0 EEADRL O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)c3cc(F)c(F)c([O-])c3F)[C@@H]2C1 ZINC001601578391 1350311584 /nfs/dbraw/zinc/31/15/84/1350311584.db2.gz LONNOBCPJHNMJN-IBNKKVAHSA-N -2 0 329.274 2.039 20 0 EEADRL O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)c3ccc4[n-]c(=S)oc4c3)[C@@H]2C1 ZINC001601578362 1350311629 /nfs/dbraw/zinc/31/16/29/1350311629.db2.gz LIQFZPODWMAJMC-BFLSOPEQSA-N -2 0 332.381 2.346 20 0 EEADRL O=C([O-])C1CC2(C1)CN(C(=O)[C@@H]1CCCC[C@H]1C1CC1)C[C@@H]2C(=O)[O-] ZINC001601778967 1350362640 /nfs/dbraw/zinc/36/26/40/1350362640.db2.gz FZIIGAKHPGQXJS-LMMISXJQSA-N -2 0 349.427 2.227 20 0 EEADRL O=C([O-])C[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C1CC1 ZINC001601907675 1350395353 /nfs/dbraw/zinc/39/53/53/1350395353.db2.gz QLWLBTMRNBRDNB-GFCCVEGCSA-N -2 0 349.774 2.214 20 0 EEADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(F)n2)c1 ZINC001602264439 1350481222 /nfs/dbraw/zinc/48/12/22/1350481222.db2.gz OGVLRYYTPYHKGK-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(F)n1 ZINC001602363468 1350504435 /nfs/dbraw/zinc/50/44/35/1350504435.db2.gz SEFQHZICCNLTSC-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])c1cccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC001602433138 1350518596 /nfs/dbraw/zinc/51/85/96/1350518596.db2.gz DALANLJXJURSJH-UHFFFAOYSA-N -2 0 339.756 2.157 20 0 EEADRL CC1(C)CCC[C@](NC(=O)Cc2ccccc2C(=O)[O-])(C(=O)[O-])C1 ZINC001604527939 1350955577 /nfs/dbraw/zinc/95/55/77/1350955577.db2.gz WJFILSUQWMEVOD-GOSISDBHSA-N -2 0 333.384 2.467 20 0 EEADRL C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1c1ccc(C(=O)[O-])cn1 ZINC001604812097 1351012971 /nfs/dbraw/zinc/01/29/71/1351012971.db2.gz ZVCYVORCQPXVJC-LBPRGKRZSA-N -2 0 341.367 2.193 20 0 EEADRL CCc1ncsc1[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC001605865158 1351240611 /nfs/dbraw/zinc/24/06/11/1351240611.db2.gz RPOFIZAFIRGBHO-UHFFFAOYSA-N -2 0 330.387 2.414 20 0 EEADRL CCc1nn(C)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC001605868334 1351241874 /nfs/dbraw/zinc/24/18/74/1351241874.db2.gz QMZSMWHLBWYKDW-UHFFFAOYSA-N -2 0 343.792 2.135 20 0 EEADRL COC(=O)c1cc(NC(=O)C2=C(C(=O)[O-])CCCC2)cc(C(=O)[O-])c1 ZINC001606549829 1351320913 /nfs/dbraw/zinc/32/09/13/1351320913.db2.gz UDBVRVZUGOYRQE-UHFFFAOYSA-N -2 0 347.323 2.065 20 0 EEADRL COc1cc(C(=O)[O-])ccc1NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001607133880 1351434609 /nfs/dbraw/zinc/43/46/09/1351434609.db2.gz BFMVPKMKBDWMGM-UHFFFAOYSA-N -2 0 329.308 2.472 20 0 EEADRL COc1ccc(C(=O)[O-])c(NC(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC001607208616 1351449538 /nfs/dbraw/zinc/44/95/38/1351449538.db2.gz AIGPPVOEEDNWOE-UHFFFAOYSA-N -2 0 336.344 2.158 20 0 EEADRL Cc1[nH]c(C(=O)[O-])cc1C([O-])=CS(=O)(=O)[C@@H](C)c1ccccc1 ZINC001607494748 1351504824 /nfs/dbraw/zinc/50/48/24/1351504824.db2.gz JQYXZDBCNCSJGO-NSHDSACASA-N -2 0 335.381 2.380 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cnn(C3CCC3)c2)cccc1C(=O)[O-] ZINC001607553911 1351514666 /nfs/dbraw/zinc/51/46/66/1351514666.db2.gz FURKCPZLQFSQQG-UHFFFAOYSA-N -2 0 335.385 2.416 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2nc(C3CC3)c(C(=O)[O-])s2)sn1 ZINC001607708044 1351543247 /nfs/dbraw/zinc/54/32/47/1351543247.db2.gz PWJYQFHTLZMPLM-UHFFFAOYSA-N -2 0 345.427 2.284 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cnoc2C2CC2)c1C(=O)[O-] ZINC001608043412 1351612365 /nfs/dbraw/zinc/61/23/65/1351612365.db2.gz RDIOJMWNMZKORL-UHFFFAOYSA-N -2 0 326.330 2.261 20 0 EEADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)Cc1ccc(O)c(F)c1 ZINC001629273473 1352550031 /nfs/dbraw/zinc/55/00/31/1352550031.db2.gz GMKKGWDYYRSSKQ-UHFFFAOYSA-N -2 0 347.371 2.443 20 0 EEADRL CCC[C@H](NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-])C(=O)[O-] ZINC000185007365 1406053958 /nfs/dbraw/zinc/05/39/58/1406053958.db2.gz GQASEDQAPIANGA-NSHDSACASA-N -2 0 335.335 2.009 20 0 EEADRL O=P([O-])([O-])OCCNc1nc(C(F)(F)F)nc2ccccc21 ZINC001168587868 790563760 /nfs/dbraw/zinc/56/37/60/790563760.db2.gz YPQVSLSOVFSRCJ-UHFFFAOYSA-N -2 0 337.194 2.170 20 0 EEADRL CSc1cnc(NCCOP(=O)([O-])[O-])c(C(F)(F)F)c1 ZINC001168589884 790652931 /nfs/dbraw/zinc/65/29/31/790652931.db2.gz PWBODOQBPBGFNS-UHFFFAOYSA-N -2 0 332.240 2.344 20 0 EEADRL O=C([O-])CCN(C(=O)c1ccc([O-])c(Cl)c1)C1CCOCC1 ZINC000909024824 785957459 /nfs/dbraw/zinc/95/74/59/785957459.db2.gz LWCIDEVUXOLHOM-UHFFFAOYSA-N -2 0 327.764 2.142 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)n1 ZINC000909990292 786388090 /nfs/dbraw/zinc/38/80/90/786388090.db2.gz ABFVEMMALBNCAS-BETUJISGSA-N -2 0 343.383 2.076 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2ccc(F)c3ccccc23)C1 ZINC000910183343 786515380 /nfs/dbraw/zinc/51/53/80/786515380.db2.gz AURFTVUTPOETBX-MEBBXXQBSA-N -2 0 345.326 2.369 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000910186447 786518528 /nfs/dbraw/zinc/51/85/28/786518528.db2.gz RICJWYICOBNLKB-CPCISQLKSA-N -2 0 346.166 2.383 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cc3c(s2)CCCC3)C1 ZINC000910186264 786518559 /nfs/dbraw/zinc/51/85/59/786518559.db2.gz PFTXGEZMNANPGM-GHMZBOCLSA-N -2 0 337.397 2.017 20 0 EEADRL Cc1ccc(CCC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c(C)c1 ZINC000910188986 786521511 /nfs/dbraw/zinc/52/15/11/786521511.db2.gz OOAXLSYCTFMWSW-CABCVRRESA-N -2 0 333.384 2.012 20 0 EEADRL O=C([O-])c1cc(Nc2cncc(N3CCOCC3)c2)cc(C(=O)[O-])c1 ZINC001176238594 798390537 /nfs/dbraw/zinc/39/05/37/798390537.db2.gz RJWIYCOCTFAZBM-UHFFFAOYSA-N -2 0 343.339 2.058 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2noc3cnccc32)cc1C(=O)[O-] ZINC001184665112 802124821 /nfs/dbraw/zinc/12/48/21/802124821.db2.gz YLJMBKUAQSRHFE-UHFFFAOYSA-N -2 0 333.325 2.030 20 0 EEADRL CC(C)(C)CC[C@H](NC(=O)CSc1n[n-]c(=S)s1)C(=O)[O-] ZINC001602861381 971720384 /nfs/dbraw/zinc/72/03/84/971720384.db2.gz UZBRIMHRMIKTNB-ZETCQYMHSA-N -2 0 349.503 2.315 20 0 EEADRL CCC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)c1 ZINC001589426641 954630056 /nfs/dbraw/zinc/63/00/56/954630056.db2.gz QIJYWQDGSHLNBR-NWDGAFQWSA-N -2 0 335.356 2.193 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])cc1Cl ZINC000863956989 955926163 /nfs/dbraw/zinc/92/61/63/955926163.db2.gz QZEDEIDDOCNRNF-UHFFFAOYSA-N -2 0 333.793 2.098 20 0 EEADRL O=C([O-])CCCCC(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000863953835 955926253 /nfs/dbraw/zinc/92/62/53/955926253.db2.gz ANBKXQUTIOKQIO-UHFFFAOYSA-N -2 0 337.397 2.065 20 0 EEADRL C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)C(F)(F)F ZINC000389220617 972212793 /nfs/dbraw/zinc/21/27/93/972212793.db2.gz NBYWSANQVHBAIN-YFKPBYRVSA-N -2 0 331.699 2.267 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cn(C)nc2C(C)C)c1C(=O)[O-] ZINC000391902299 972388990 /nfs/dbraw/zinc/38/89/90/972388990.db2.gz FFYOGAYZHUPUEA-UHFFFAOYSA-N -2 0 341.389 2.252 20 0 EEADRL O=C([O-])CC1(NC(=O)c2cc(Br)c(F)cc2[O-])CCC1 ZINC001574675135 962556412 /nfs/dbraw/zinc/55/64/12/962556412.db2.gz ADZNHFKGYRLCGF-UHFFFAOYSA-N -2 0 346.152 2.421 20 0 EEADRL O=C([O-])c1cncc([N-]S(=O)(=O)c2cccc3c2N=S=N3)c1 ZINC000316268470 963995791 /nfs/dbraw/zinc/99/57/91/963995791.db2.gz QWBSSARZDQIVRS-UHFFFAOYSA-N -2 0 336.354 2.307 20 0 EEADRL CC(C)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)n[nH]1 ZINC000317553768 970368859 /nfs/dbraw/zinc/36/88/59/970368859.db2.gz YNXPLHLDXXDGTH-UHFFFAOYSA-N -2 0 327.337 2.171 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c1C(=O)[O-] ZINC000320171353 970624416 /nfs/dbraw/zinc/62/44/16/970624416.db2.gz YZPPFKYLQFPJLM-UHFFFAOYSA-N -2 0 337.353 2.330 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2ccc([C@@H](C)C(=O)[O-])cc2)s1 ZINC000396475259 972899876 /nfs/dbraw/zinc/89/98/76/972899876.db2.gz ZZLJEKIKRMNDAK-MRVPVSSYSA-N -2 0 326.399 2.440 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cncc3ccccc32)ccc1O ZINC000396519677 972911233 /nfs/dbraw/zinc/91/12/33/972911233.db2.gz MAIRSVFJJXEUIW-UHFFFAOYSA-N -2 0 344.348 2.439 20 0 EEADRL CC(C)c1cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)n[nH]1 ZINC001591935922 976455062 /nfs/dbraw/zinc/45/50/62/976455062.db2.gz LPXSKYJNGCECMU-UHFFFAOYSA-N -2 0 345.327 2.310 20 0 EEADRL CC(C)c1nn(C)cc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001592050215 976786812 /nfs/dbraw/zinc/78/68/12/976786812.db2.gz KWHZRYOHFRMEOA-UHFFFAOYSA-N -2 0 341.364 2.182 20 0 EEADRL CCc1nc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cn1CC1CC1 ZINC000853027179 979593536 /nfs/dbraw/zinc/59/35/36/979593536.db2.gz OKDDFXICCWDXBV-UHFFFAOYSA-N -2 0 349.412 2.355 20 0 EEADRL C/C(=C/C(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)C(C)(C)C ZINC001588942942 984638975 /nfs/dbraw/zinc/63/89/75/984638975.db2.gz TYHJBYMTAUXQBO-CLFYSBASSA-N -2 0 329.374 2.084 20 0 EEADRL CC(C)[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])CC1 ZINC001589450679 986840629 /nfs/dbraw/zinc/84/06/29/986840629.db2.gz FDLAZQGCZLEEQI-CYDGBPFRSA-N -2 0 333.450 2.004 20 0 EEADRL CC[C@@H]([N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)C(F)(F)F ZINC001597291768 987382650 /nfs/dbraw/zinc/38/26/50/987382650.db2.gz WMZHAUPLZTWSKX-MRVPVSSYSA-N -2 0 347.261 2.282 20 0 EEADRL CC(C)(C)C[C@@H](NC(=O)c1ncc(Br)cc1[O-])C(=O)[O-] ZINC001589752226 988062335 /nfs/dbraw/zinc/06/23/35/988062335.db2.gz RALBZJNJEUUXJM-MRVPVSSYSA-N -2 0 345.193 2.169 20 0 EEADRL CC(C)(C)OC(=O)C1(C(=O)[N-]OCCCC(=O)[O-])CCCCC1 ZINC001589852630 988386971 /nfs/dbraw/zinc/38/69/71/988386971.db2.gz XNBBXBRSNZRSIJ-UHFFFAOYSA-N -2 0 329.393 2.191 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N[C@](C)(CC)C(=O)[O-])n1 ZINC001597604106 988478475 /nfs/dbraw/zinc/47/84/75/988478475.db2.gz FAAGZNAVWVETQA-QGZVFWFLSA-N -2 0 331.372 2.123 20 0 EEADRL CCc1onc(C)c1[N-]S(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001597816316 989446360 /nfs/dbraw/zinc/44/63/60/989446360.db2.gz SQLZKPNOOOSQNX-UHFFFAOYSA-N -2 0 330.406 2.322 20 0 EEADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)n[nH]1 ZINC000135044947 539435815 /nfs/dbraw/zinc/43/58/15/539435815.db2.gz PNRRJGKZFWYHTD-UHFFFAOYSA-N -2 0 329.403 2.268 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cn(CC(C)C)cn2)cc1C(=O)[O-] ZINC000267464881 256061476 /nfs/dbraw/zinc/06/14/76/256061476.db2.gz OYKQYMGSOBCJCY-UHFFFAOYSA-N -2 0 337.401 2.347 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cnc(CC(C)C)nc2)cc1C(=O)[O-] ZINC000355881500 153184957 /nfs/dbraw/zinc/18/49/57/153184957.db2.gz PTMHBAGZMFHADA-UHFFFAOYSA-N -2 0 349.412 2.483 20 0 EEADRL O=C([O-])[C@@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])c1ccccc1 ZINC000238027327 160227511 /nfs/dbraw/zinc/22/75/11/160227511.db2.gz XHEYDJNLOKBPII-HNNXBMFYSA-N -2 0 337.335 2.134 20 0 EEADRL Cc1cccc(F)c1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C ZINC000283867384 293004602 /nfs/dbraw/zinc/00/46/02/293004602.db2.gz IMCIFOXGUQPNRK-PWSUYJOCSA-N -2 0 347.408 2.069 20 0 EEADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCCC[C@@H]2C(=O)[O-])n1 ZINC000159930491 301307755 /nfs/dbraw/zinc/30/77/55/301307755.db2.gz QAHZCARDKAKUCK-CYBMUJFWSA-N -2 0 347.346 2.105 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)c(F)c1 ZINC000405003603 312455267 /nfs/dbraw/zinc/45/52/67/312455267.db2.gz LMPOJFZRUNQKGP-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)nn1C(C)C ZINC000421178290 314060798 /nfs/dbraw/zinc/06/07/98/314060798.db2.gz WXMWEHRWSHBPCO-UHFFFAOYSA-N -2 0 329.403 2.333 20 0 EEADRL O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1cc(F)c([O-])c(F)c1 ZINC000436689554 314988814 /nfs/dbraw/zinc/98/88/14/314988814.db2.gz OKRAPSWLSXTVIJ-UHFFFAOYSA-N -2 0 332.266 2.413 20 0 EEADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000521531381 316918682 /nfs/dbraw/zinc/91/86/82/316918682.db2.gz YINAFVAOYWHRTH-UHFFFAOYSA-N -2 0 341.366 2.254 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c2ncccc12 ZINC000545315867 318216598 /nfs/dbraw/zinc/21/65/98/318216598.db2.gz QTTQKGDALZQHTK-UHFFFAOYSA-N -2 0 347.352 2.071 20 0 EEADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](CC(=O)[O-])c1ccccc1F ZINC000548246904 318367720 /nfs/dbraw/zinc/36/77/20/318367720.db2.gz DDNDCWIFQHWCKZ-GMSGAONNSA-N -2 0 343.298 2.212 20 0 EEADRL O=C([O-])COc1ccc(CCN=c2nc(C(F)(F)F)[n-]s2)cc1 ZINC000578196422 320300173 /nfs/dbraw/zinc/30/01/73/320300173.db2.gz GZDHPLTUKVNHNJ-UHFFFAOYSA-N -2 0 347.318 2.097 20 0 EEADRL CC(C)CCn1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000164644477 463627553 /nfs/dbraw/zinc/62/75/53/463627553.db2.gz UYQKRSLNTGRRAP-UHFFFAOYSA-N -2 0 337.401 2.428 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cnn1C1CCCC1 ZINC000194226707 463817354 /nfs/dbraw/zinc/81/73/54/463817354.db2.gz BCRZNEOVJHKPEG-UHFFFAOYSA-N -2 0 338.389 2.134 20 0 EEADRL Cc1ccc(NS(C)(=O)=O)c(NC(=O)c2c([O-])cccc2F)c1 ZINC000187206472 464106489 /nfs/dbraw/zinc/10/64/89/464106489.db2.gz UNJVRZGBXLVLCB-UHFFFAOYSA-N -2 0 338.360 2.464 20 0 EEADRL CCCC[C@@H]([N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(=O)[O-] ZINC000263569932 464131480 /nfs/dbraw/zinc/13/14/80/464131480.db2.gz ZTKBYFRTSVOPAL-MRVPVSSYSA-N -2 0 343.298 2.165 20 0 EEADRL C[C@H](C1CC1)n1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cn1 ZINC000187731533 464156192 /nfs/dbraw/zinc/15/61/92/464156192.db2.gz DFXQRFDHVRFJKN-MRVPVSSYSA-N -2 0 341.414 2.415 20 0 EEADRL COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1O ZINC000351747201 465335426 /nfs/dbraw/zinc/33/54/26/465335426.db2.gz IOCMHQXRMBQPJE-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cn1 ZINC000340332467 465997873 /nfs/dbraw/zinc/99/78/73/465997873.db2.gz BZEOVNSRLPQICY-UHFFFAOYSA-N -2 0 342.398 2.429 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c1F ZINC000313237121 466537216 /nfs/dbraw/zinc/53/72/16/466537216.db2.gz LJDAFROTTGTLKQ-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL C[C@](CN=c1[n-]nc(C(F)(F)F)s1)(C(=O)[O-])c1ccccc1 ZINC000650776938 470964516 /nfs/dbraw/zinc/96/45/16/470964516.db2.gz NNQCJTUPFWOIFD-GFCCVEGCSA-N -2 0 331.319 2.433 20 0 EEADRL CC(C)[C@H](CNc1cc(NC[C@H](C(=O)[O-])C(C)C)ncn1)C(=O)[O-] ZINC000662883196 472290029 /nfs/dbraw/zinc/29/00/29/472290029.db2.gz MPMBWWSWKCFAFU-RYUDHWBXSA-N -2 0 338.408 2.014 20 0 EEADRL CC(C)C[C@@H](CNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(=O)[O-] ZINC000663058411 472343607 /nfs/dbraw/zinc/34/36/07/472343607.db2.gz OJVVMEFKTWBLFP-NSHDSACASA-N -2 0 349.362 2.194 20 0 EEADRL COc1ccccc1S(=O)(=O)[N-]c1ccc(CNC(=O)[O-])cc1 ZINC000738142427 578000642 /nfs/dbraw/zinc/00/06/42/578000642.db2.gz HWMSECOMWPLQHM-UHFFFAOYSA-N -2 0 336.369 2.264 20 0 EEADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c1C(=O)[O-] ZINC000738337631 576323974 /nfs/dbraw/zinc/32/39/74/576323974.db2.gz MVZBUDWVARRKFZ-UHFFFAOYSA-N -2 0 333.728 2.010 20 0 EEADRL Cn1ccc(S(=O)(=O)[N-]c2cc3ccccc3cc2C(=O)[O-])n1 ZINC000727357083 576422725 /nfs/dbraw/zinc/42/27/25/576422725.db2.gz KRPPSWFEWYGKFM-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)[nH]c2C(=O)[O-])c1 ZINC000738015877 576678098 /nfs/dbraw/zinc/67/80/98/576678098.db2.gz KPNZFTHLNHRTAF-UHFFFAOYSA-N -2 0 344.776 2.484 20 0 EEADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)nc2)c1F ZINC000765141617 577495896 /nfs/dbraw/zinc/49/58/96/577495896.db2.gz DGVWYCSMVCNSHY-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)C1CCCCCC1 ZINC000740288743 578089206 /nfs/dbraw/zinc/08/92/06/578089206.db2.gz GVTZJTKYAURJKR-UHFFFAOYSA-N -2 0 331.415 2.222 20 0 EEADRL CC(C)C[C@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000736404261 578201500 /nfs/dbraw/zinc/20/15/00/578201500.db2.gz YFHKCJLNUDFFEM-NSHDSACASA-N -2 0 327.402 2.262 20 0 EEADRL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cccc(C(=O)[O-])c1 ZINC000736722137 578220169 /nfs/dbraw/zinc/22/01/69/578220169.db2.gz AIHLHKLOAOFUMF-NSHDSACASA-N -2 0 333.365 2.206 20 0 EEADRL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000386536060 599737388 /nfs/dbraw/zinc/73/73/88/599737388.db2.gz YRWUUVAYSXTHRS-UHFFFAOYSA-N -2 0 325.342 2.486 20 0 EEADRL N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(CCC(=O)[O-])cc1 ZINC000391091232 599852705 /nfs/dbraw/zinc/85/27/05/599852705.db2.gz PHOHWCJPZAPGMC-UHFFFAOYSA-N -2 0 330.365 2.376 20 0 EEADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(Cl)cc(C(=O)[O-])c1 ZINC000166562483 600637070 /nfs/dbraw/zinc/63/70/70/600637070.db2.gz KJQOBLPKRRXBLA-UHFFFAOYSA-N -2 0 329.765 2.179 20 0 EEADRL Cc1noc(C(F)F)c1C(=O)[N-]c1nnc(CCC(=O)[O-])s1 ZINC000833020083 600963100 /nfs/dbraw/zinc/96/31/00/600963100.db2.gz SYWOXTHNPLUOSU-UHFFFAOYSA-N -2 0 332.288 2.042 20 0 EEADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000833335043 600984914 /nfs/dbraw/zinc/98/49/14/600984914.db2.gz VKCBAZTWJLIFNA-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2n[nH]c3cccc(F)c32)cc1 ZINC000833267581 601201465 /nfs/dbraw/zinc/20/14/65/601201465.db2.gz CZBHGYCIAMQTQB-UHFFFAOYSA-N -2 0 349.343 2.130 20 0 EEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000386982581 601359771 /nfs/dbraw/zinc/35/97/71/601359771.db2.gz ZYWMLMZVMZSYFM-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1nc2ccsc2s1 ZINC000833346349 601769479 /nfs/dbraw/zinc/76/94/79/601769479.db2.gz OBPNREAVMCZFBG-UHFFFAOYSA-N -2 0 347.424 2.313 20 0 EEADRL CC(C)Cn1cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cn1 ZINC000826917891 601862502 /nfs/dbraw/zinc/86/25/02/601862502.db2.gz MPGQDBAKMXPTFK-UHFFFAOYSA-N -2 0 341.364 2.177 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cc(CC(C)C)[nH]n2)cc1C(=O)[O-] ZINC000832955812 602306476 /nfs/dbraw/zinc/30/64/76/602306476.db2.gz LMVATJLTAHGVEI-UHFFFAOYSA-N -2 0 337.401 2.416 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2cc(CC(C)(C)C)[nH]n2)cc1C(=O)[O-] ZINC000833027143 602308036 /nfs/dbraw/zinc/30/80/36/602308036.db2.gz QEQZMWIQWQXDNZ-UHFFFAOYSA-N -2 0 341.389 2.399 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2n[nH]c3c2cccc3Cl)o1 ZINC000833323909 605014457 /nfs/dbraw/zinc/01/44/57/605014457.db2.gz BCXFRDSXTYTPBN-UHFFFAOYSA-N -2 0 341.732 2.308 20 0 EEADRL CCn1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])cn1 ZINC000833682292 605168613 /nfs/dbraw/zinc/16/86/13/605168613.db2.gz OFYQGWOXOYHNKQ-UHFFFAOYSA-N -2 0 329.765 2.055 20 0 EEADRL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)[nH]n1 ZINC000833752927 605184736 /nfs/dbraw/zinc/18/47/36/605184736.db2.gz FPENMLXBNBHXSP-UHFFFAOYSA-N -2 0 347.352 2.477 20 0 EEADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)CCC1CCCCC1 ZINC000863963095 1197938930 /nfs/dbraw/zinc/93/89/30/1197938930.db2.gz JLXHAFIZGRJVMA-LBPRGKRZSA-N -2 0 333.450 2.150 20 0 EEADRL COc1c(O)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185917248 1278867003 /nfs/dbraw/zinc/86/70/03/1278867003.db2.gz FOWCFTDYFGMSPM-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL O=C(NCCOP(=O)([O-])[O-])c1cccc(-c2ccsc2)c1 ZINC001189376786 1280272299 /nfs/dbraw/zinc/27/22/99/1280272299.db2.gz BHMNFQCWIRZJCK-UHFFFAOYSA-N -2 0 327.298 2.254 20 0 EEADRL O=C(Nc1cc(=O)[nH]c(Cl)c1)c1ccccc1OP(=O)([O-])[O-] ZINC001189871307 1280531144 /nfs/dbraw/zinc/53/11/44/1280531144.db2.gz LSUVMTHJCMKSAJ-UHFFFAOYSA-N -2 0 344.647 2.164 20 0 EEADRL CCn1ncc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1C ZINC001192106624 1281800870 /nfs/dbraw/zinc/80/08/70/1281800870.db2.gz LEEUPWIVIBDVLV-UHFFFAOYSA-N -2 0 337.401 2.029 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2cc(F)ccn2)cc1C(=O)[O-] ZINC001192608520 1282076026 /nfs/dbraw/zinc/07/60/26/1282076026.db2.gz ODYAGOZJRJOCSS-UHFFFAOYSA-N -2 0 340.332 2.118 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cscn2)c(Cl)cc1F ZINC001193972264 1282799769 /nfs/dbraw/zinc/79/97/69/1282799769.db2.gz ZXVGIFLGCOOOCC-UHFFFAOYSA-N -2 0 336.753 2.435 20 0 EEADRL COc1ccc([C@H](Oc2nc(=O)[n-]c(=O)[nH]2)c2ccccc2)cc1 ZINC001227569957 1301893100 /nfs/dbraw/zinc/89/31/00/1301893100.db2.gz HKNUEYBKDBSWEG-CQSZACIVSA-N -2 0 325.324 2.460 20 0 EEADRL CCCCCc1ccc(C)cc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001229593518 1302875354 /nfs/dbraw/zinc/87/53/54/1302875354.db2.gz AJABLDBGWQXDBM-CYBMUJFWSA-N -2 0 346.316 2.103 20 0 EEADRL O=P([O-])([O-])c1ccc(-c2cc(Br)cnc2F)cc1 ZINC001243082289 1309761764 /nfs/dbraw/zinc/76/17/64/1309761764.db2.gz TUSPPWHIUIBHAO-UHFFFAOYSA-N -2 0 332.065 2.453 20 0 EEADRL Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3O)cc2o1 ZINC001255639890 1318499016 /nfs/dbraw/zinc/49/90/16/1318499016.db2.gz BJQHZTPMFPWVBN-UHFFFAOYSA-N -2 0 348.336 2.341 20 0 EEADRL CCOc1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1F ZINC001260221130 1319835547 /nfs/dbraw/zinc/83/55/47/1319835547.db2.gz AXJKNIZXAXJHTP-UHFFFAOYSA-N -2 0 340.332 2.118 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3nsnc32)cc1 ZINC001260220847 1319835736 /nfs/dbraw/zinc/83/57/36/1319835736.db2.gz QRUCPHOQEVWPKQ-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL O=C([O-])[C@@H](Cc1ccc(F)cc1)NC(=O)c1cc(F)c([O-])c(F)c1 ZINC001608487934 1351703155 /nfs/dbraw/zinc/70/31/55/1351703155.db2.gz BLYIVVQUPKSCAA-CYBMUJFWSA-N -2 0 339.269 2.235 20 0 EEADRL Nc1c([N-]S(=O)(=O)c2cc(F)cc(F)c2)cccc1C(=O)[O-] ZINC001601210209 1350231862 /nfs/dbraw/zinc/23/18/62/1350231862.db2.gz ZOHVWASPSZVEAX-UHFFFAOYSA-N -2 0 328.296 2.046 20 0 EEADRL CC(C)(CCC(=O)[O-])NC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001603593115 1350726204 /nfs/dbraw/zinc/72/62/04/1350726204.db2.gz ISGUJRBXPKQTOK-UHFFFAOYSA-N -2 0 334.332 2.026 20 0 EEADRL CCC(=O)c1cccc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)c1 ZINC001604864993 1351021799 /nfs/dbraw/zinc/02/17/99/1351021799.db2.gz PRZPNAJMCHFYAB-UHFFFAOYSA-N -2 0 334.353 2.173 20 0 EEADRL Cc1cc(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc(C(=O)[O-])c1 ZINC001607682678 1351538748 /nfs/dbraw/zinc/53/87/48/1351538748.db2.gz LEHACZIYZCBWSS-UONOGXRCSA-N -2 0 332.356 2.268 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC(C)(C)C)oc1C(=O)[O-] ZINC001607702717 1351542801 /nfs/dbraw/zinc/54/28/01/1351542801.db2.gz CIZDLBLGQSBKGV-VIFPVBQESA-N -2 0 331.390 2.163 20 0 EEADRL O=C([O-])c1cc(NC(=O)C2CC(C(=O)[O-])C2)ccc1N1CCCCC1 ZINC001608853145 1351779176 /nfs/dbraw/zinc/77/91/76/1351779176.db2.gz XQSSFUVZMCBBCT-UHFFFAOYSA-N -2 0 346.383 2.424 20 0 EEADRL O=C([O-])c1cc(F)ccc1S(=O)(=O)[N-]c1cccc2c1OCO2 ZINC001608851856 1351778778 /nfs/dbraw/zinc/77/87/78/1351778778.db2.gz RBVDDIOLSFFJMD-UHFFFAOYSA-N -2 0 339.300 2.053 20 0 EEADRL O=C([O-])c1cncc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)c1 ZINC001608983000 1351808031 /nfs/dbraw/zinc/80/80/31/1351808031.db2.gz JDNCKDMOKIQIST-UHFFFAOYSA-N -2 0 348.380 2.369 20 0 EEADRL CC(C)[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-] ZINC001609684599 1352058618 /nfs/dbraw/zinc/05/86/18/1352058618.db2.gz RVVPHMXMCSHCKN-YPMHNXCESA-N -2 0 333.450 2.148 20 0 EEADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001609842038 1352098748 /nfs/dbraw/zinc/09/87/48/1352098748.db2.gz ZUBIHTPEZVCOGH-SFYZADRCSA-N -2 0 342.298 2.238 20 0 EEADRL C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C[C@H]1C ZINC001609844545 1352099206 /nfs/dbraw/zinc/09/92/06/1352099206.db2.gz HYORPLFDBSDELN-BBBLOLIVSA-N -2 0 345.442 2.324 20 0 EEADRL COC(=O)c1ccc(C(=O)[O-])c(NC(=O)CC2(CC(=O)[O-])CCC2)c1 ZINC001610206718 1352185465 /nfs/dbraw/zinc/18/54/65/1352185465.db2.gz IBIPRQAZPFIEPV-UHFFFAOYSA-N -2 0 349.339 2.145 20 0 EEADRL CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1c(C)ccc(C(=O)[O-])c1O ZINC001610228290 1352190715 /nfs/dbraw/zinc/19/07/15/1352190715.db2.gz FLUOJCVBBIHGNY-NSHDSACASA-N -2 0 345.417 2.202 20 0 EEADRL COCc1nc([N-]S(=O)(=O)c2ccccc2C)sc1C(=O)[O-] ZINC001610273884 1352197570 /nfs/dbraw/zinc/19/75/70/1352197570.db2.gz LKBNWXDBHPRTRC-UHFFFAOYSA-N -2 0 342.398 2.097 20 0 EEADRL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cnccc1C(=O)[O-] ZINC001610337915 1352207663 /nfs/dbraw/zinc/20/76/63/1352207663.db2.gz ONNSPYPJTXUNAH-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL Cc1ccc(Cl)cc1NC(=O)N1CC[C@H](C(=O)[O-])C[C@H]1C(=O)[O-] ZINC001610502979 1352234578 /nfs/dbraw/zinc/23/45/78/1352234578.db2.gz VMYGCCUPQBRNMG-CABZTGNLSA-N -2 0 340.763 2.430 20 0 EEADRL O=C([O-])CC1(NC(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CCC1 ZINC001610757520 1352269757 /nfs/dbraw/zinc/26/97/57/1352269757.db2.gz OBKBWTUZVZGGKN-UHFFFAOYSA-N -2 0 328.271 2.182 20 0 EEADRL O=S(=O)([N-]c1cccc2ccsc21)c1ccc(-c2nnn[n-]2)o1 ZINC001593446096 1349800958 /nfs/dbraw/zinc/80/09/58/1349800958.db2.gz YXISFDLRSDAQSM-UHFFFAOYSA-N -2 0 347.381 2.475 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccccc2C(=O)[O-])c(C)c1 ZINC001600478109 1350061462 /nfs/dbraw/zinc/06/14/62/1350061462.db2.gz KEQSQLLBFPTAMB-UHFFFAOYSA-N -2 0 347.392 2.049 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2nc(C(=O)[O-])c(C3CC3)s2)cn1 ZINC001600483658 1350062954 /nfs/dbraw/zinc/06/29/54/1350062954.db2.gz FBOFVLASENPRCY-UHFFFAOYSA-N -2 0 339.398 2.223 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)c1Cl ZINC001600550548 1350080101 /nfs/dbraw/zinc/08/01/01/1350080101.db2.gz SORGBQGAXGEESZ-UHFFFAOYSA-N -2 0 328.777 2.486 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2cnc(C)nc2C2CC2)cc1C(=O)[O-] ZINC001600741993 1350126184 /nfs/dbraw/zinc/12/61/84/1350126184.db2.gz POKUOFAYQZKTES-UHFFFAOYSA-N -2 0 337.357 2.063 20 0 EEADRL Cc1oc(-c2ccccc2)nc1CS(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001600821472 1350144100 /nfs/dbraw/zinc/14/41/00/1350144100.db2.gz WPDAZKINOSWMEO-UHFFFAOYSA-N -2 0 347.352 2.045 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2ccc(C3CCC3)cn2)cc1C(=O)[O-] ZINC001600968182 1350179285 /nfs/dbraw/zinc/17/92/85/1350179285.db2.gz JFKQETFZFSFRLZ-UHFFFAOYSA-N -2 0 335.385 2.187 20 0 EEADRL O=C([O-])C1CC2(C1)CN(C(=O)CCCC1CCCC1)C[C@H]2C(=O)[O-] ZINC001601777791 1350362619 /nfs/dbraw/zinc/36/26/19/1350362619.db2.gz AAVZGJJPOXFAAJ-FVRSWCFKSA-N -2 0 337.416 2.371 20 0 EEADRL O=C([O-])CC1(NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])CCCC1 ZINC001601933584 1350400551 /nfs/dbraw/zinc/40/05/51/1350400551.db2.gz HPYCNIYZMCTCEY-UHFFFAOYSA-N -2 0 347.346 2.234 20 0 EEADRL O=C([O-])CCN(CC(=O)[O-])Cc1ncc(-c2cccc(Cl)c2)o1 ZINC001602005267 1350416301 /nfs/dbraw/zinc/41/63/01/1350416301.db2.gz ZGBRQHLUTXMVQC-UHFFFAOYSA-N -2 0 338.747 2.356 20 0 EEADRL O=C([O-])CCc1ccc([N-]S(=O)(=O)c2cnn(CC3CC3)c2)cc1 ZINC001602041124 1350424819 /nfs/dbraw/zinc/42/48/19/1350424819.db2.gz YMJNFXXUJNGKMZ-UHFFFAOYSA-N -2 0 349.412 2.111 20 0 EEADRL O=C([O-])c1cccc2c1CCN(C(=O)c1n[n-]c3ccccc3c1=O)C2 ZINC001602457377 1350523513 /nfs/dbraw/zinc/52/35/13/1350523513.db2.gz RKRXJBPMLFNZKD-UHFFFAOYSA-N -2 0 349.346 2.232 20 0 EEADRL O=C([O-])c1cnc([N-]S(=O)(=O)c2cccc3ccccc32)cn1 ZINC001602536372 1350541133 /nfs/dbraw/zinc/54/11/33/1350541133.db2.gz XWYAVFYSFVDBOK-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL C[C@@](CC(=O)[O-])(NC(=O)c1cc(F)cc(F)c1[O-])c1ccncc1 ZINC001604085664 1350851034 /nfs/dbraw/zinc/85/10/34/1350851034.db2.gz LBKXEKVCMGZHBF-INIZCTEOSA-N -2 0 336.294 2.185 20 0 EEADRL CCCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2CC)[nH]n1 ZINC001605372738 1351146841 /nfs/dbraw/zinc/14/68/41/1351146841.db2.gz HNZXZMPJZWWOFJ-UHFFFAOYSA-N -2 0 327.362 2.017 20 0 EEADRL CCc1ccc(NC(=O)C(=O)[N-]OCc2ccccc2)c(C(=O)[O-])c1 ZINC001605818576 1351227600 /nfs/dbraw/zinc/22/76/00/1351227600.db2.gz YEJVJXGCFASJOO-UHFFFAOYSA-N -2 0 342.351 2.134 20 0 EEADRL Cc1c(F)cccc1S(=O)(=O)[N-]c1nc(CCC(=O)[O-])cs1 ZINC001607535152 1351511953 /nfs/dbraw/zinc/51/19/53/1351511953.db2.gz IWEBWJVQRTXCFU-UHFFFAOYSA-N -2 0 344.389 2.409 20 0 EEADRL Cc1cc(C2CC2)nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)n1 ZINC001607634161 1351529518 /nfs/dbraw/zinc/52/95/18/1351529518.db2.gz KQQREFQHZZSRKH-UHFFFAOYSA-N -2 0 347.396 2.470 20 0 EEADRL Cc1csc2c1ncnc2N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001607933401 1351588471 /nfs/dbraw/zinc/58/84/71/1351588471.db2.gz DKAOZERUCRPPJI-IAZHFHGHSA-N -2 0 347.396 2.002 20 0 EEADRL O=C([O-])[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)C1CCCCC1 ZINC000314555911 774111592 /nfs/dbraw/zinc/11/15/92/774111592.db2.gz LGVUVLYQHHRCFS-GFCCVEGCSA-N -2 0 333.356 2.277 20 0 EEADRL O=P([O-])([O-])OCCNc1cc(-c2ccc(Cl)cc2)ncn1 ZINC001168589763 790657219 /nfs/dbraw/zinc/65/72/19/790657219.db2.gz OUWDLSZTRRAZLT-UHFFFAOYSA-N -2 0 329.680 2.318 20 0 EEADRL CC1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000907047607 784349412 /nfs/dbraw/zinc/34/94/12/784349412.db2.gz BSNKENHHXZWSKZ-CLYYMRHHSA-N -2 0 325.386 2.042 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)nc2)cc1Cl ZINC000165796001 789564120 /nfs/dbraw/zinc/56/41/20/789564120.db2.gz LEJBNZOIJXHJOE-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])c1cncc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])c1 ZINC001175844020 798246058 /nfs/dbraw/zinc/24/60/58/798246058.db2.gz YEVGZHZJLCCAOS-UHFFFAOYSA-N -2 0 328.733 2.424 20 0 EEADRL CC(=O)c1ncccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184668403 802126667 /nfs/dbraw/zinc/12/66/67/802126667.db2.gz SZTRDUHTXTWWCM-UHFFFAOYSA-N -2 0 334.353 2.092 20 0 EEADRL COc1ccc(S(=O)(=O)Nc2ccccc2[S-])cc1C(=O)[O-] ZINC001185303788 802450331 /nfs/dbraw/zinc/45/03/31/802450331.db2.gz UNMNJTTYOTXXCK-UHFFFAOYSA-N -2 0 339.394 2.483 20 0 EEADRL COC(=O)[C@H](CCc1ccccc1)Nc1ccc(P(=O)([O-])[O-])cc1 ZINC001170173407 809792286 /nfs/dbraw/zinc/79/22/86/809792286.db2.gz UZDYHJOHIFGLIU-INIZCTEOSA-N -2 0 349.323 2.076 20 0 EEADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Cl)nc1 ZINC000389462338 972227387 /nfs/dbraw/zinc/22/73/87/972227387.db2.gz SISSKPWACSVRMT-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL Cc1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)cn1 ZINC001259213218 960667199 /nfs/dbraw/zinc/66/71/99/960667199.db2.gz KKCHQWHEPGUJBJ-UHFFFAOYSA-N -2 0 345.739 2.077 20 0 EEADRL C[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])ccc1F)CC(F)(F)F ZINC000396944281 972954442 /nfs/dbraw/zinc/95/44/42/972954442.db2.gz WMXWYXIPSCMWHD-SSDOTTSWSA-N -2 0 343.298 2.391 20 0 EEADRL C[C@@](CC(=O)[O-])(NC(=O)c1cc(F)cc(F)c1[O-])c1ccccn1 ZINC001592304715 977666953 /nfs/dbraw/zinc/66/69/53/977666953.db2.gz UQDJAHNDGZKENA-INIZCTEOSA-N -2 0 336.294 2.185 20 0 EEADRL CC(C)([N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)C(C)(F)F ZINC001592935825 979998684 /nfs/dbraw/zinc/99/86/84/979998684.db2.gz MLSYDWWBVJSBHH-UHFFFAOYSA-N -2 0 343.298 2.375 20 0 EEADRL CCC1CCC(NS(=O)(=O)c2cc([O-])cc(F)c2)(C(=O)[O-])CC1 ZINC001595431388 981052279 /nfs/dbraw/zinc/05/22/79/981052279.db2.gz QXXSUHJMTMROCZ-UHFFFAOYSA-N -2 0 345.392 2.233 20 0 EEADRL CCN(CCC(=O)[O-])C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001596312634 983740626 /nfs/dbraw/zinc/74/06/26/983740626.db2.gz SKILCNNROVTLGI-UHFFFAOYSA-N -2 0 337.763 2.168 20 0 EEADRL CCOc1cc(C(=O)[N-]c2cccnc2SCCC(=O)[O-])on1 ZINC001597011410 986356469 /nfs/dbraw/zinc/35/64/69/986356469.db2.gz VGJGHSBQWKVWTO-UHFFFAOYSA-N -2 0 337.357 2.287 20 0 EEADRL CCC(=CC(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)CC ZINC001594691672 987092769 /nfs/dbraw/zinc/09/27/69/987092769.db2.gz XAIWLTPYXPNLHF-UHFFFAOYSA-N -2 0 347.339 2.214 20 0 EEADRL COc1cccc([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)c1C ZINC001599680120 994965756 /nfs/dbraw/zinc/96/57/56/994965756.db2.gz ASADEVDNRJCEGP-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL C[C@@H](O)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)ccc1F ZINC001593477061 995414894 /nfs/dbraw/zinc/41/48/94/995414894.db2.gz HIXMVANIVHDTOQ-SSDOTTSWSA-N -2 0 345.373 2.440 20 0 EEADRL C[C@@]1(CS(=O)(=O)[N-]c2csnc2C(=O)[O-])CC1(Cl)Cl ZINC001594039454 997648523 /nfs/dbraw/zinc/64/85/23/997648523.db2.gz ODZRGTLEGCHSOP-QMMMGPOBSA-N -2 0 345.229 2.167 20 0 EEADRL Cc1ccc2cccc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)c2n1 ZINC000066235501 215025406 /nfs/dbraw/zinc/02/54/06/215025406.db2.gz KYYWYJDGEFAHRL-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1F ZINC000070156612 202309517 /nfs/dbraw/zinc/30/95/17/202309517.db2.gz YGUHAVXHYSJBEH-UHFFFAOYSA-N -2 0 331.346 2.395 20 0 EEADRL CC(C)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cn1 ZINC000266589426 248373738 /nfs/dbraw/zinc/37/37/38/248373738.db2.gz NSTRCFFXMFEREX-UHFFFAOYSA-N -2 0 329.403 2.100 20 0 EEADRL CCn1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1C1CC1 ZINC000267462411 256061622 /nfs/dbraw/zinc/06/16/22/256061622.db2.gz ORXZSPRSBUHGDL-UHFFFAOYSA-N -2 0 339.373 2.181 20 0 EEADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1O ZINC000345691856 161323077 /nfs/dbraw/zinc/32/30/77/161323077.db2.gz MMFOKUIVASVKIH-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000292526647 275442619 /nfs/dbraw/zinc/44/26/19/275442619.db2.gz VJUCLNAFKUJTOE-SKDRFNHKSA-N -2 0 333.356 2.277 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Cl)nc1C ZINC000314971063 311589357 /nfs/dbraw/zinc/58/93/57/311589357.db2.gz BCRCBILULOBVSU-UHFFFAOYSA-N -2 0 343.792 2.364 20 0 EEADRL CCc1ccc([C@@H]([N-]S(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-])cc1 ZINC000548528275 318394647 /nfs/dbraw/zinc/39/46/47/318394647.db2.gz AEWDPIQLLPEHOY-LDYMZIIASA-N -2 0 339.335 2.245 20 0 EEADRL Cn1ncc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1C(=O)[O-] ZINC000552137817 318499855 /nfs/dbraw/zinc/49/98/55/318499855.db2.gz OHNCEWCMCLRLNS-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL CC(C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000569978128 319625774 /nfs/dbraw/zinc/62/57/74/319625774.db2.gz XWOXDUWDTFQDRH-SSDOTTSWSA-N -2 0 341.763 2.253 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c2n[nH]cc21 ZINC000063635609 462659578 /nfs/dbraw/zinc/65/95/78/462659578.db2.gz MIXRQAYIYODFEM-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL Cc1cnn(C)c1S(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-] ZINC000349077306 465953297 /nfs/dbraw/zinc/95/32/97/465953297.db2.gz DAIZMLQRXPOMOU-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)c(C)c1C(=O)[O-] ZINC000361780218 466282451 /nfs/dbraw/zinc/28/24/51/466282451.db2.gz GUQRQYXUDJYSIT-UHFFFAOYSA-N -2 0 345.327 2.394 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)cn1 ZINC000350837286 466620738 /nfs/dbraw/zinc/62/07/38/466620738.db2.gz STEJTIBJKSDAMH-NSHDSACASA-N -2 0 334.397 2.454 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cn(C)c(C(C)C)n2)c(C(=O)[O-])c1 ZINC000560480727 468816650 /nfs/dbraw/zinc/81/66/50/468816650.db2.gz JOUZLADVLHLZAP-UHFFFAOYSA-N -2 0 337.401 2.351 20 0 EEADRL COc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000738135425 578000634 /nfs/dbraw/zinc/00/06/34/578000634.db2.gz DSNHPFFVDWFQIZ-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)c3ccccc3)nc2n1 ZINC000738345204 578010317 /nfs/dbraw/zinc/01/03/17/578010317.db2.gz ILBVQWBMOPONTI-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)o1 ZINC000740155181 578083124 /nfs/dbraw/zinc/08/31/24/578083124.db2.gz NWLJWIBFLCTOHQ-UHFFFAOYSA-N -3 0 345.716 2.130 20 0 EEADRL CCC(CC)CS(=O)(=O)[N-]C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736894675 578228472 /nfs/dbraw/zinc/22/84/72/578228472.db2.gz JTIPUQQWDYZPSW-UHFFFAOYSA-N -2 0 341.429 2.200 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)o1 ZINC000390876471 599737294 /nfs/dbraw/zinc/73/72/94/599737294.db2.gz BVLYMYRJYIBIRA-UHFFFAOYSA-N -2 0 334.309 2.434 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000315925936 600671363 /nfs/dbraw/zinc/67/13/63/600671363.db2.gz WOMBODQAQURVQM-UHFFFAOYSA-N -3 0 341.366 2.254 20 0 EEADRL CCCn1nccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000829591768 601328735 /nfs/dbraw/zinc/32/87/35/601328735.db2.gz XLQCHNSYCYWACY-YVMONPNESA-N -2 0 335.385 2.192 20 0 EEADRL CC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000828672458 601480205 /nfs/dbraw/zinc/48/02/05/601480205.db2.gz SIMHJVHSNAVWOD-GFCCVEGCSA-N -2 0 325.308 2.026 20 0 EEADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(C)ccc1O ZINC000831945443 601616933 /nfs/dbraw/zinc/61/69/33/601616933.db2.gz GZBLIJTWYNLMKM-UHFFFAOYSA-N -2 0 343.382 2.270 20 0 EEADRL CCOCc1cccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000830021486 601839757 /nfs/dbraw/zinc/83/97/57/601839757.db2.gz IOOOIPBHELIYQO-UHFFFAOYSA-N -2 0 342.398 2.179 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)[nH]n2)o1 ZINC000833323601 602308488 /nfs/dbraw/zinc/30/84/88/602308488.db2.gz QQOSQSJEFZTBKH-UHFFFAOYSA-N -2 0 325.346 2.159 20 0 EEADRL O=C([O-])COc1cccc(C(=O)Nc2cccc(NC(=O)[O-])c2)c1 ZINC000833259327 604465690 /nfs/dbraw/zinc/46/56/90/604465690.db2.gz DCDCCTQHBAJUSI-UHFFFAOYSA-N -2 0 330.296 2.492 20 0 EEADRL CC1(C)CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000833561888 604607476 /nfs/dbraw/zinc/60/74/76/604607476.db2.gz YSKVBIAXQUKWBE-VIFPVBQESA-N -2 0 345.442 2.468 20 0 EEADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2nc(CCC(=O)[O-])cs2)c1 ZINC000832935379 604625111 /nfs/dbraw/zinc/62/51/11/604625111.db2.gz XCHILAOHGCLRDN-UHFFFAOYSA-N -2 0 344.389 2.409 20 0 EEADRL Cc1ccc(F)cc1S(=O)(=O)[N-]c1nc(CCC(=O)[O-])cs1 ZINC000832934142 604625115 /nfs/dbraw/zinc/62/51/15/604625115.db2.gz IETJTRJUXMBHRQ-UHFFFAOYSA-N -2 0 344.389 2.409 20 0 EEADRL CC(C)(C)c1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)s1 ZINC000833449653 604700798 /nfs/dbraw/zinc/70/07/98/604700798.db2.gz PNSYQCCKMDQQPL-UHFFFAOYSA-N -2 0 341.414 2.335 20 0 EEADRL CCCCn1ncc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1C ZINC000829452460 604793231 /nfs/dbraw/zinc/79/32/31/604793231.db2.gz BDZZYGSPHZZILC-UHFFFAOYSA-N -2 0 337.401 2.491 20 0 EEADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000829207553 604882592 /nfs/dbraw/zinc/88/25/92/604882592.db2.gz ADISPEJDBCIBFS-SECBINFHSA-N -2 0 331.365 2.020 20 0 EEADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000829207554 604882959 /nfs/dbraw/zinc/88/29/59/604882959.db2.gz ADISPEJDBCIBFS-VIFPVBQESA-N -2 0 331.365 2.020 20 0 EEADRL O=C([O-])c1cncc([N-]S(=O)(=O)c2cccc3ncccc32)c1 ZINC000322462023 604889557 /nfs/dbraw/zinc/88/95/57/604889557.db2.gz HXMPRIIXQUOBRX-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1cc(C)cc(C)c1 ZINC000863960967 1197937976 /nfs/dbraw/zinc/93/79/76/1197937976.db2.gz GIRUQUGUTIWNJZ-UHFFFAOYSA-N -2 0 341.429 2.140 20 0 EEADRL Cn1ncc2cccc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)c21 ZINC001186183537 1278981416 /nfs/dbraw/zinc/98/14/16/1278981416.db2.gz CBYRIUCXLBCNTQ-UHFFFAOYSA-N -2 0 349.343 2.211 20 0 EEADRL O=C(Nc1cc(Cl)c[nH]c1=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189872641 1280531874 /nfs/dbraw/zinc/53/18/74/1280531874.db2.gz WXRUJBXSCRNYQN-UHFFFAOYSA-N -2 0 344.647 2.164 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cnc1F ZINC001192106806 1281801536 /nfs/dbraw/zinc/80/15/36/1281801536.db2.gz QWAATIOTDNIKLL-UHFFFAOYSA-N -2 0 338.360 2.347 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2cccnc2OC)ccc1[S-] ZINC001194720002 1283273104 /nfs/dbraw/zinc/27/31/04/1283273104.db2.gz LEVXTTAZZOFXIZ-UHFFFAOYSA-N -2 0 326.399 2.188 20 0 EEADRL Cc1ccnc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195195029 1283487376 /nfs/dbraw/zinc/48/73/76/1283487376.db2.gz OFYGHSPKXORHDJ-UHFFFAOYSA-N -2 0 342.323 2.476 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ncnc2sccc21 ZINC001198739140 1285312494 /nfs/dbraw/zinc/31/24/94/1285312494.db2.gz LKTVYAGBKUFJRE-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL C[C@H](Oc1nc(I)cc(=O)[n-]1)C1=CC=C[CH]1 ZINC001228945641 1302538558 /nfs/dbraw/zinc/53/85/58/1302538558.db2.gz BZBBKSLDHRUALD-ZETCQYMHSA-N -2 0 329.117 2.255 20 0 EEADRL CN(C)S(=O)(=O)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001242160298 1309622485 /nfs/dbraw/zinc/62/24/85/1309622485.db2.gz AEFZCWPTNREIAI-UHFFFAOYSA-N -2 0 349.364 2.000 20 0 EEADRL Cc1cc(N2CCOCC2)ccc1-c1ccc(P(=O)([O-])[O-])cc1 ZINC001244165706 1309918497 /nfs/dbraw/zinc/91/84/97/1309918497.db2.gz TZWRPQXWYUIPLX-UHFFFAOYSA-N -2 0 333.324 2.302 20 0 EEADRL O=P([O-])([O-])OCCNC(F)(F)c1cc(Cl)cnc1Cl ZINC001157788061 1318860903 /nfs/dbraw/zinc/86/09/03/1318860903.db2.gz YTSNXJLNKRIIJY-UHFFFAOYSA-N -2 0 337.046 2.137 20 0 EEADRL O=c1[n-]c(F)c(Cl)c([N-]S(=O)(=O)c2ccccn2)c1Cl ZINC001259281752 1319509993 /nfs/dbraw/zinc/50/99/93/1319509993.db2.gz GCGWEAMSLCEFQB-UHFFFAOYSA-N -2 0 338.147 2.429 20 0 EEADRL O=C([O-])c1cc(C(=O)Nc2cccc(O)c2Br)c[nH]1 ZINC001608516916 1351708257 /nfs/dbraw/zinc/70/82/57/1351708257.db2.gz AWXWENOYINRGNW-UHFFFAOYSA-N -2 0 325.118 2.433 20 0 EEADRL O=C([O-])C1(CS(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)CCCCC1 ZINC001608572828 1351718356 /nfs/dbraw/zinc/71/83/56/1351718356.db2.gz UGAPIKNNVUWERK-SNVBAGLBSA-N -2 0 343.367 2.282 20 0 EEADRL O=C([O-])c1cc(F)ccc1NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001608851144 1351778503 /nfs/dbraw/zinc/77/85/03/1351778503.db2.gz LTJLHDQDIFMWHK-NWDGAFQWSA-N -2 0 336.319 2.098 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccnn2C2CCC2)s1 ZINC001608913570 1351792490 /nfs/dbraw/zinc/79/24/90/1351792490.db2.gz CQDCQIMTUPQYTL-UHFFFAOYSA-N -2 0 327.387 2.169 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)c1 ZINC001608990927 1351809810 /nfs/dbraw/zinc/80/98/10/1351809810.db2.gz WAEXPEVHJDFKRI-UHFFFAOYSA-N -2 0 343.744 2.367 20 0 EEADRL O=C([O-])[C@@H](OC(=O)c1cc(Br)c(F)cc1O)C1CC1 ZINC001609010690 1351813871 /nfs/dbraw/zinc/81/38/71/1351813871.db2.gz AGNDDWZNUJVDHK-JTQLQIEISA-N -2 0 333.109 2.314 20 0 EEADRL C/C(=C\COC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-])C(=O)[O-] ZINC001609542935 1352010686 /nfs/dbraw/zinc/01/06/86/1352010686.db2.gz HFBNZGZWVKGEPX-XBXARRHUSA-N -2 0 338.266 2.044 20 0 EEADRL C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2C(=O)[O-])C1 ZINC001609844738 1352099143 /nfs/dbraw/zinc/09/91/43/1352099143.db2.gz KYVGSZNOJMWLJD-RKDXNWHRSA-N -2 0 345.804 2.279 20 0 EEADRL CCC(CC)(CNC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)C(=O)[O-] ZINC001609915187 1352119192 /nfs/dbraw/zinc/11/91/92/1352119192.db2.gz DWRFBTIKZJUNJP-LBPRGKRZSA-N -2 0 342.436 2.410 20 0 EEADRL CCC1(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC001609939169 1352124750 /nfs/dbraw/zinc/12/47/50/1352124750.db2.gz AFIUKCNQISZHHG-UHFFFAOYSA-N -2 0 331.777 2.033 20 0 EEADRL CCCc1cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)n[nH]1 ZINC001609987168 1352134927 /nfs/dbraw/zinc/13/49/27/1352134927.db2.gz YJCXAKZEAOGKSP-UHFFFAOYSA-N -2 0 327.337 2.000 20 0 EEADRL CCOc1ccc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)cc1F ZINC001610043073 1352148111 /nfs/dbraw/zinc/14/81/11/1352148111.db2.gz PDAJFNJCYROKSZ-UHFFFAOYSA-N -2 0 340.332 2.118 20 0 EEADRL COc1cc(S(=O)(=O)[N-]c2c(C)cccc2O)ccc1C(=O)[O-] ZINC001610306185 1352202987 /nfs/dbraw/zinc/20/29/87/1352202987.db2.gz IDUFHEKIJWCAFW-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nc2)c1 ZINC001610337139 1352207247 /nfs/dbraw/zinc/20/72/47/1352207247.db2.gz UAKVULVOTWJFRQ-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2ccc3c(n2)CCC3)cc1C(=O)[O-] ZINC001610346349 1352208610 /nfs/dbraw/zinc/20/86/10/1352208610.db2.gz ICIWIMBLCPHTPO-UHFFFAOYSA-N -2 0 348.380 2.078 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3ncccc23)cn1 ZINC001610839951 1352283256 /nfs/dbraw/zinc/28/32/56/1352283256.db2.gz KQYXYEAANFINKZ-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n[nH]c1C(C)C ZINC001600008361 1349954016 /nfs/dbraw/zinc/95/40/16/1349954016.db2.gz FMKBVBLKNFPDFD-UHFFFAOYSA-N -2 0 341.364 2.480 20 0 EEADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C3CC3)nn2)c1C ZINC001600115275 1349973825 /nfs/dbraw/zinc/97/38/25/1349973825.db2.gz PWVYWLSHKAPQEK-UHFFFAOYSA-N -2 0 347.396 2.470 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)C(C)(C)C(C)(C)C)oc1C(=O)[O-] ZINC001600296265 1350013454 /nfs/dbraw/zinc/01/34/54/1350013454.db2.gz VVEIBVLNNSJYCJ-UHFFFAOYSA-N -2 0 331.390 2.163 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2N)sc1C ZINC001600301080 1350014510 /nfs/dbraw/zinc/01/45/10/1350014510.db2.gz KDURWEXUGJYBEI-UHFFFAOYSA-N -2 0 326.399 2.446 20 0 EEADRL Cc1cnn(CC2CC2)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC001600301778 1350015266 /nfs/dbraw/zinc/01/52/66/1350015266.db2.gz TUHLROPDNJAHJJ-UHFFFAOYSA-N -2 0 349.412 2.409 20 0 EEADRL Cc1ccccc1C(F)(F)C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001600571692 1350086341 /nfs/dbraw/zinc/08/63/41/1350086341.db2.gz PPMPVHUEIMZTKW-UHFFFAOYSA-N -2 0 345.323 2.357 20 0 EEADRL Cc1cnn(CC2CC2)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001600636464 1350103165 /nfs/dbraw/zinc/10/31/65/1350103165.db2.gz DWYJHEPTIOCQIK-UHFFFAOYSA-N -2 0 339.373 2.002 20 0 EEADRL O=C(/C=C\c1ccsc1)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001601243730 1350239913 /nfs/dbraw/zinc/23/99/13/1350239913.db2.gz MMBWBVPNSQMCEG-UPHRSURJSA-N -2 0 343.407 2.026 20 0 EEADRL O=C([O-])C1CC2(C1)C[C@H](NC(=O)c1cccc(Cl)c1[O-])CCO2 ZINC001601444901 1350285090 /nfs/dbraw/zinc/28/50/90/1350285090.db2.gz VHMRDNWLKQPJNC-IAZHFHGHSA-N -2 0 339.775 2.188 20 0 EEADRL O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001601569895 1350309315 /nfs/dbraw/zinc/30/93/15/1350309315.db2.gz PROGQQAAMWPIOK-NEPJUHHUSA-N -2 0 349.774 2.214 20 0 EEADRL O=C([O-])/C=C\c1ccc(S(=O)(=O)[N-]c2cnn3c2CCCC3)cc1 ZINC001601883595 1350389969 /nfs/dbraw/zinc/38/99/69/1350389969.db2.gz DBRCDCUYYIZGER-TWGQIWQCSA-N -2 0 347.396 2.118 20 0 EEADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2ccnn2CC2CCC2)cc1 ZINC001602128596 1350445531 /nfs/dbraw/zinc/44/55/31/1350445531.db2.gz PWIKZXYIBPUAJG-UHFFFAOYSA-N -2 0 349.412 2.111 20 0 EEADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]c2nnc(C3CC3)s2)cc1 ZINC001602357660 1350503196 /nfs/dbraw/zinc/50/31/96/1350503196.db2.gz TYJIPYRXYHLQLS-UHFFFAOYSA-N -2 0 339.398 2.056 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)c1 ZINC001602559277 1350546671 /nfs/dbraw/zinc/54/66/71/1350546671.db2.gz PAUXUWZEHJWLAJ-UHFFFAOYSA-N -2 0 335.696 2.277 20 0 EEADRL CC(C)n1cc(S(=O)(=O)[N-]c2ccc([C@H](C)C(=O)[O-])cc2)cn1 ZINC001603212704 1350663044 /nfs/dbraw/zinc/66/30/44/1350663044.db2.gz CCEWPWZJASLHBT-NSHDSACASA-N -2 0 337.401 2.453 20 0 EEADRL CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cn2)c1 ZINC001603486093 1350711035 /nfs/dbraw/zinc/71/10/35/1350711035.db2.gz AUSKIKRFFGDHRS-UHFFFAOYSA-N -2 0 334.353 2.173 20 0 EEADRL C[C@](CC(=O)[O-])(NC(=O)c1s[n-]c(=O)c1Cl)c1ccncc1 ZINC001604088304 1350852196 /nfs/dbraw/zinc/85/21/96/1350852196.db2.gz NTOLBTKBEZELDA-CYBMUJFWSA-N -2 0 341.776 2.017 20 0 EEADRL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)C1 ZINC001604652697 1350977962 /nfs/dbraw/zinc/97/79/62/1350977962.db2.gz PYLIGNHRCOLQSQ-JQWIXIFHSA-N -2 0 349.387 2.025 20 0 EEADRL COc1c([N-]S(=O)(=O)C[C@H](CC(C)C)OC)cccc1C(=O)[O-] ZINC001607049798 1351403984 /nfs/dbraw/zinc/40/39/84/1351403984.db2.gz JEZHMPDSMNYUMZ-NSHDSACASA-N -2 0 345.417 2.196 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c(C)cc1C ZINC001607180886 1351444242 /nfs/dbraw/zinc/44/42/42/1351444242.db2.gz GBTDDHSALHLKLK-UHFFFAOYSA-N -2 0 325.342 2.404 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NCCCCCCC(=O)[O-] ZINC001607598976 1351521978 /nfs/dbraw/zinc/52/19/78/1351521978.db2.gz MALDSBOFOZRAHU-UHFFFAOYSA-N -2 0 343.401 2.007 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc2c(cn1)CCC2 ZINC001607599443 1351522121 /nfs/dbraw/zinc/52/21/21/1351522121.db2.gz RQYSIKHPTFXVML-UHFFFAOYSA-N -2 0 332.381 2.378 20 0 EEADRL Cc1cc(C(=O)[O-])oc1C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC001607601287 1351522629 /nfs/dbraw/zinc/52/26/29/1351522629.db2.gz ABQXERGWPLPBFH-UHFFFAOYSA-N -2 0 347.352 2.269 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cnc1C(F)F ZINC001607697862 1351541563 /nfs/dbraw/zinc/54/15/63/1351541563.db2.gz VTDIUSMNQJJFPR-UHFFFAOYSA-N -2 0 349.340 2.283 20 0 EEADRL Cc1csc(C(=O)[O-])c1[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC001607922982 1351586580 /nfs/dbraw/zinc/58/65/80/1351586580.db2.gz HVMQKDXGZOGUQO-UHFFFAOYSA-N -2 0 329.403 2.402 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)ccc1F ZINC000024425371 1352366686 /nfs/dbraw/zinc/36/66/86/1352366686.db2.gz JMEGJIUHBHBLPZ-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL COc1cccc(C#N)c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000322638163 1409864007 /nfs/dbraw/zinc/86/40/07/1409864007.db2.gz HZMYTDQCWWXNSI-UHFFFAOYSA-N -2 0 332.337 2.066 20 0 EEADRL COc1cc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)ccc1F ZINC000323580663 778132886 /nfs/dbraw/zinc/13/28/86/778132886.db2.gz VLRBMKWIPSWBQJ-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL O=P([O-])([O-])OCCNc1c[nH]c2ccc(Br)cc12 ZINC001168592234 790820252 /nfs/dbraw/zinc/82/02/52/790820252.db2.gz ORDUTKFNTJXLKD-UHFFFAOYSA-N -2 0 335.094 2.452 20 0 EEADRL Cc1ccsc1CCCC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910181977 786514629 /nfs/dbraw/zinc/51/46/29/786514629.db2.gz GBAGLBKYXCEAFE-NEPJUHHUSA-N -2 0 339.413 2.156 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc2c(s1)CCCC2 ZINC000910186267 786518350 /nfs/dbraw/zinc/51/83/50/786518350.db2.gz PFTXGEZMNANPGM-WDEREUQCSA-N -2 0 337.397 2.017 20 0 EEADRL O=C([O-])[C@H]1CCCN(CC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC000911155128 787276361 /nfs/dbraw/zinc/27/63/61/787276361.db2.gz QMIWPQCYXOPBSR-QMMMGPOBSA-N -2 0 347.198 2.434 20 0 EEADRL C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000923156178 788989697 /nfs/dbraw/zinc/98/96/97/788989697.db2.gz STTSRRDKZOUVMD-GHMZBOCLSA-N -2 0 347.346 2.042 20 0 EEADRL O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2nc3ccccc3[nH]2)cc1 ZINC000324767223 971154996 /nfs/dbraw/zinc/15/49/96/971154996.db2.gz WBIAVXADBHQAIU-JXMROGBWSA-N -2 0 343.364 2.462 20 0 EEADRL CC[C@H](C)[C@H](NC(=O)c1nn(-c2cc(C)ccc2F)cc1[O-])C(=O)[O-] ZINC001593614129 953484791 /nfs/dbraw/zinc/48/47/91/953484791.db2.gz HNYXORXPYMUKSI-HZMBPMFUSA-N -2 0 349.362 2.255 20 0 EEADRL C[C@@H](S[C@H](C)C(=O)Nc1cccc(CCC(=O)[O-])c1)C(=O)[O-] ZINC001589168410 956441278 /nfs/dbraw/zinc/44/12/78/956441278.db2.gz BLDYCAZMVQRDPR-NXEZZACHSA-N -2 0 325.386 2.237 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc3nccnc3c2)c1 ZINC000391911949 972389974 /nfs/dbraw/zinc/38/99/74/972389974.db2.gz AUEQQGBFHKAKSZ-UHFFFAOYSA-N -2 0 347.327 2.268 20 0 EEADRL CCc1ncsc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000161982689 959201359 /nfs/dbraw/zinc/20/13/59/959201359.db2.gz XRIHKFFKEPGNLM-UHFFFAOYSA-N -2 0 330.362 2.344 20 0 EEADRL CCn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1C ZINC001187545612 960545384 /nfs/dbraw/zinc/54/53/84/960545384.db2.gz RLYZTHQEPHJDSX-UHFFFAOYSA-N -2 0 343.792 2.364 20 0 EEADRL O=C([O-])CN(C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C1CCC1 ZINC001574711292 962717983 /nfs/dbraw/zinc/71/79/83/962717983.db2.gz VPFYUXKVPPDUOI-UHFFFAOYSA-N -2 0 349.774 2.311 20 0 EEADRL CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-] ZINC000863962465 969312395 /nfs/dbraw/zinc/31/23/95/969312395.db2.gz MJURUAQJDNWGCR-ZDUSSCGKSA-N -2 0 327.402 2.229 20 0 EEADRL CC(C)Oc1cccc([N-]S(=O)(=O)c2cccnc2C(=O)[O-])c1 ZINC001591795767 976001937 /nfs/dbraw/zinc/00/19/37/976001937.db2.gz JVKXZVUZTLNRJH-UHFFFAOYSA-N -2 0 336.369 2.368 20 0 EEADRL C[C@H](CC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)CC(C)(C)C ZINC001592259893 977499870 /nfs/dbraw/zinc/49/98/70/977499870.db2.gz SHPYYHPOCLKZJB-SECBINFHSA-N -2 0 331.390 2.245 20 0 EEADRL C[C@H]1CCC[C@H](CC(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000828238551 978977041 /nfs/dbraw/zinc/97/70/41/978977041.db2.gz JVYXNMAVPDIITN-UWVGGRQHSA-N -2 0 345.442 2.468 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc3ccccc32)C1 ZINC000863959513 979677921 /nfs/dbraw/zinc/67/79/21/979677921.db2.gz HNECIBOQODTYLN-QWHCGFSZSA-N -2 0 347.392 2.146 20 0 EEADRL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001597031666 986450155 /nfs/dbraw/zinc/45/01/55/986450155.db2.gz KTXLPUDIRBDEKY-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)CCC1CCCCCC1 ZINC001589454394 986878087 /nfs/dbraw/zinc/87/80/87/986878087.db2.gz VPOGXZFPKYYRAU-NWDGAFQWSA-N -2 0 333.450 2.292 20 0 EEADRL CCc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC001597500923 988060536 /nfs/dbraw/zinc/06/05/36/988060536.db2.gz DGJSSVNUBREKFB-UHFFFAOYSA-N -2 0 347.392 2.207 20 0 EEADRL CCc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cn(CC)c(C)n1 ZINC001597579374 988378950 /nfs/dbraw/zinc/37/89/50/988378950.db2.gz WYDROPJKRQJDBP-UHFFFAOYSA-N -2 0 337.401 2.273 20 0 EEADRL C[C@@H](S[C@H](C)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)C(=O)[O-] ZINC001593659825 996036367 /nfs/dbraw/zinc/03/63/67/996036367.db2.gz XSAZFRJNYHCRQQ-PHDIDXHHSA-N -2 0 333.312 2.196 20 0 EEADRL C[C@@H](S[C@@H](C)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)C(=O)[O-] ZINC001593659823 996036576 /nfs/dbraw/zinc/03/65/76/996036576.db2.gz XSAZFRJNYHCRQQ-NTSWFWBYSA-N -2 0 333.312 2.196 20 0 EEADRL CC1(C)CCCC[C@H]1CC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001593905663 996787480 /nfs/dbraw/zinc/78/74/80/996787480.db2.gz WRBTXHSFIABKKJ-NSHDSACASA-N -2 0 343.401 2.389 20 0 EEADRL C[C@@H]1CCN(C(=O)NCCCCCCCC(=O)[O-])C[C@@H]1C(=O)[O-] ZINC001594403365 999512646 /nfs/dbraw/zinc/51/26/46/999512646.db2.gz UIBJMGGIJGZWFB-OLZOCXBDSA-N -2 0 328.409 2.164 20 0 EEADRL CCC(CC)(C(=O)[O-])C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001549134333 1121127009 /nfs/dbraw/zinc/12/70/09/1121127009.db2.gz KIPOFZMZEGRYCG-ZIAGYGMSSA-N -2 0 333.384 2.204 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2scnc2C2CC2)cc1C(=O)[O-] ZINC000348884984 539858253 /nfs/dbraw/zinc/85/82/53/539858253.db2.gz GLAINUPDLRGWHP-UHFFFAOYSA-N -2 0 341.414 2.341 20 0 EEADRL Cc1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc(C(=O)[O-])c1 ZINC000350477225 539874779 /nfs/dbraw/zinc/87/47/79/539874779.db2.gz LZHXTQNZWIWCNF-UHFFFAOYSA-N -2 0 335.337 2.192 20 0 EEADRL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000275058811 201276242 /nfs/dbraw/zinc/27/62/42/201276242.db2.gz UJVOXIGJDIYUKM-SNVBAGLBSA-N -2 0 339.335 2.272 20 0 EEADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(O)cc(F)c1 ZINC000448076228 242360493 /nfs/dbraw/zinc/36/04/93/242360493.db2.gz ZNPROHMFEORTPM-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc(F)cc1[O-] ZINC000123291434 292280006 /nfs/dbraw/zinc/28/00/06/292280006.db2.gz HFTGXZMKKXNXED-UHFFFAOYSA-N -2 0 333.344 2.102 20 0 EEADRL O=C(N=c1nc(-c2ccccc2)[n-]s1)c1c[n-]c2ccncc2c1=O ZINC000341934783 161025277 /nfs/dbraw/zinc/02/52/77/161025277.db2.gz XVKCDEDSBPCJOS-UHFFFAOYSA-N -2 0 349.375 2.116 20 0 EEADRL COc1ccc(O)c(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000342782809 161090351 /nfs/dbraw/zinc/09/03/51/161090351.db2.gz SXMNTRFFWNFKDY-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)nn1C(C)C ZINC000421185066 314061817 /nfs/dbraw/zinc/06/18/17/314061817.db2.gz QONNHYYSKALRAU-UHFFFAOYSA-N -2 0 337.401 2.200 20 0 EEADRL Cc1nn(C)cc1S(=O)(=O)[N-]c1cc2c(cc1C(=O)[O-])CCCC2 ZINC000518429536 316725961 /nfs/dbraw/zinc/72/59/61/316725961.db2.gz QQEWNKUGKMNGDM-UHFFFAOYSA-N -2 0 349.412 2.106 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cn1 ZINC000066583922 462906577 /nfs/dbraw/zinc/90/65/77/462906577.db2.gz QEJOFDRYLZIPQC-UHFFFAOYSA-N -2 0 329.765 2.055 20 0 EEADRL CCc1ncc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cn1 ZINC000270056478 464173194 /nfs/dbraw/zinc/17/31/94/464173194.db2.gz JPZQAMZOXMOQRY-UHFFFAOYSA-N -2 0 335.385 2.155 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cccc3c2OCCO3)ccc1C(=O)[O-] ZINC000342971841 465424371 /nfs/dbraw/zinc/42/43/71/465424371.db2.gz MOVKBOGLMMVIPJ-UHFFFAOYSA-N -2 0 349.364 2.265 20 0 EEADRL COc1ccsc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000348472188 465623473 /nfs/dbraw/zinc/62/34/73/465623473.db2.gz FIPCISMMHLBNRI-UHFFFAOYSA-N -2 0 331.346 2.395 20 0 EEADRL CC(=O)c1cccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1 ZINC000353506824 465941265 /nfs/dbraw/zinc/94/12/65/465941265.db2.gz ACOFIONXUIFJON-UHFFFAOYSA-N -2 0 338.323 2.199 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cncc(Cl)c2)c(C(=O)[O-])c1 ZINC000349109946 465974318 /nfs/dbraw/zinc/97/43/18/465974318.db2.gz RLJTWLABBATMPW-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL CSc1ccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)nc1 ZINC000346873795 466213655 /nfs/dbraw/zinc/21/36/55/466213655.db2.gz OOASALFLZHZDSB-UHFFFAOYSA-N -2 0 343.368 2.114 20 0 EEADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cs1 ZINC000361998558 466472013 /nfs/dbraw/zinc/47/20/13/466472013.db2.gz DTJQRMSXYQOSKZ-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)c[nH]1 ZINC000315250865 466558481 /nfs/dbraw/zinc/55/84/81/466558481.db2.gz VOHWCIVSDWICQN-UHFFFAOYSA-N -2 0 332.284 2.115 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1O ZINC000320123096 466604674 /nfs/dbraw/zinc/60/46/74/466604674.db2.gz FBMVTNIRFWISRB-UHFFFAOYSA-N -2 0 347.270 2.309 20 0 EEADRL Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)[O-])ccc1C(=O)[O-] ZINC000350802890 466609621 /nfs/dbraw/zinc/60/96/21/466609621.db2.gz PNYLJGJRHWIQHU-UHFFFAOYSA-N -3 0 335.337 2.192 20 0 EEADRL Cc1nc(C(C)(C)NS(=O)(=O)c2ccc(C(=O)[O-])o2)sc1C ZINC000515350451 467986720 /nfs/dbraw/zinc/98/67/20/467986720.db2.gz LXTVZRMNOJEPCC-UHFFFAOYSA-N -2 0 344.414 2.265 20 0 EEADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1c(Cl)cnn1C ZINC000519517774 468163580 /nfs/dbraw/zinc/16/35/80/468163580.db2.gz YRRLKDBRHBBXAS-UHFFFAOYSA-N -2 0 347.755 2.020 20 0 EEADRL CC(C)(C)[C@H]([N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(=O)[O-] ZINC000573688898 469186832 /nfs/dbraw/zinc/18/68/32/469186832.db2.gz MMGBVRAQMBZZOA-SNVBAGLBSA-N -2 0 343.298 2.021 20 0 EEADRL CC(C)C[C@@H](Nc1cc(N[C@H](CC(C)C)C(=O)[O-])ncn1)C(=O)[O-] ZINC000662878234 472287951 /nfs/dbraw/zinc/28/79/51/472287951.db2.gz NHSRLOSRKFIKMY-VXGBXAGGSA-N -2 0 338.408 2.299 20 0 EEADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c1C(=O)[O-] ZINC000738632489 578022309 /nfs/dbraw/zinc/02/23/09/578022309.db2.gz BLAKWAFIODWFMH-UHFFFAOYSA-N -2 0 329.765 2.179 20 0 EEADRL CC(C)[C@H](CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1ccccc1 ZINC000736350857 578198258 /nfs/dbraw/zinc/19/82/58/578198258.db2.gz AXNCQXVMPYNXGL-AWEZNQCLSA-N -2 0 341.429 2.127 20 0 EEADRL CCOc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)ccc1C ZINC000737191353 578243065 /nfs/dbraw/zinc/24/30/65/578243065.db2.gz IYTBBTNNLPCXOJ-UHFFFAOYSA-N -2 0 325.342 2.486 20 0 EEADRL CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)cc1 ZINC000035426894 601357270 /nfs/dbraw/zinc/35/72/70/601357270.db2.gz CLHFIGKCOMPBQH-UHFFFAOYSA-N -2 0 325.367 2.450 20 0 EEADRL CCn1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cn1 ZINC000032595283 601827217 /nfs/dbraw/zinc/82/72/17/601827217.db2.gz SOLIXUBUADHYKZ-UHFFFAOYSA-N -2 0 329.765 2.055 20 0 EEADRL CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])n[nH]1 ZINC000829217106 602102325 /nfs/dbraw/zinc/10/23/25/602102325.db2.gz ZGRHXVPTVQKVKE-SSDOTTSWSA-N -2 0 344.418 2.269 20 0 EEADRL CCCCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)n[nH]1 ZINC000829430608 602103163 /nfs/dbraw/zinc/10/31/63/602103163.db2.gz HAQZOHGKAWORGT-UHFFFAOYSA-N -2 0 329.403 2.313 20 0 EEADRL CCCc1cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])n[nH]1 ZINC000829566719 602306251 /nfs/dbraw/zinc/30/62/51/602306251.db2.gz UEWWDUZJTRZLJU-UHFFFAOYSA-N -2 0 327.337 2.000 20 0 EEADRL CC(C)(C(=O)[O-])[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccccc1 ZINC000826103545 604391577 /nfs/dbraw/zinc/39/15/77/604391577.db2.gz SBHFIWNHSAADGU-CQSZACIVSA-N -2 0 342.351 2.362 20 0 EEADRL O=C([O-])CCc1csc([N-]S(=O)(=O)CCc2ccccc2)n1 ZINC000833243450 604625020 /nfs/dbraw/zinc/62/50/20/604625020.db2.gz GQZLAWQQIYNVJH-UHFFFAOYSA-N -2 0 340.426 2.145 20 0 EEADRL O=C([O-])CCc1csc([N-]S(=O)(=O)c2ccc(F)c(F)c2)n1 ZINC000833244165 604626083 /nfs/dbraw/zinc/62/60/83/604626083.db2.gz UXVPOFXCSHEHME-UHFFFAOYSA-N -2 0 348.352 2.239 20 0 EEADRL COc1cc(OC)cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)c1 ZINC000832095946 604634107 /nfs/dbraw/zinc/63/41/07/604634107.db2.gz SGMORSLWUYGLAS-UHFFFAOYSA-N -2 0 343.382 2.264 20 0 EEADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1c[nH]c2ncccc12 ZINC000833741232 605124829 /nfs/dbraw/zinc/12/48/29/605124829.db2.gz CWRGFMGOPKCFRY-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000833741836 605127470 /nfs/dbraw/zinc/12/74/70/605127470.db2.gz XMLXDMYFWVLNIN-UHFFFAOYSA-N -3 0 347.395 2.315 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)nc1C ZINC000193499298 1210859199 /nfs/dbraw/zinc/85/91/99/1210859199.db2.gz HWKCGIXUOWYWGE-UHFFFAOYSA-N -2 0 330.749 2.444 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c(OC)c1 ZINC001198782241 1285327702 /nfs/dbraw/zinc/32/77/02/1285327702.db2.gz FJDMACKGAGBAOG-UHFFFAOYSA-N -2 0 337.353 2.203 20 0 EEADRL COc1ccc(-c2noc(-c3ccccc3OP(=O)([O-])[O-])n2)nc1 ZINC001216745489 1297274299 /nfs/dbraw/zinc/27/42/99/1297274299.db2.gz CDJOVTNCDAKTAC-UHFFFAOYSA-N -2 0 349.239 2.279 20 0 EEADRL O=P([O-])([O-])Oc1ccc(OC2CCC3(CC2)OCCO3)cc1 ZINC001234337554 1304884716 /nfs/dbraw/zinc/88/47/16/1304884716.db2.gz IZSQJUOARCRXEK-UHFFFAOYSA-N -2 0 330.273 2.223 20 0 EEADRL CON(C)C(=O)c1cccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242163400 1309624104 /nfs/dbraw/zinc/62/41/04/1309624104.db2.gz VLNMTQFUEFPTTK-UHFFFAOYSA-N -2 0 329.308 2.383 20 0 EEADRL COC(=O)c1ccc(C)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260189509 1319819921 /nfs/dbraw/zinc/81/99/21/1319819921.db2.gz GYZFHBXKIZLTQY-UHFFFAOYSA-N -2 0 349.364 2.281 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc3ncncc3c2)c1 ZINC001260215886 1319833949 /nfs/dbraw/zinc/83/39/49/1319833949.db2.gz FJOJJDRMSHRTJM-UHFFFAOYSA-N -2 0 347.327 2.268 20 0 EEADRL CC(C)c1cccnc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260394012 1319882833 /nfs/dbraw/zinc/88/28/33/1319882833.db2.gz MCJRNKAVVCPOEX-UHFFFAOYSA-N -2 0 336.369 2.410 20 0 EEADRL O=C([O-])[C@@H](NS(=O)(=O)c1cccc(Cl)c1[O-])c1cccs1 ZINC001608554597 1351714867 /nfs/dbraw/zinc/71/48/67/1351714867.db2.gz RHVCFTJTEUZFME-JTQLQIEISA-N -2 0 347.801 2.211 20 0 EEADRL CCc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2CC)s1 ZINC001605839886 1351233055 /nfs/dbraw/zinc/23/30/55/1351233055.db2.gz LIXLYUFLPGYVQM-UHFFFAOYSA-N -2 0 330.387 2.360 20 0 EEADRL O=C([O-])CC1CC(NC(=O)c2cc(Br)cc(F)c2[O-])C1 ZINC001608692087 1351742906 /nfs/dbraw/zinc/74/29/06/1351742906.db2.gz KYFYVWYHKWDASZ-UHFFFAOYSA-N -2 0 346.152 2.277 20 0 EEADRL O=C([O-])CCCc1nnc([N-]C(=O)c2ncc(Cl)s2)s1 ZINC001608720387 1351749133 /nfs/dbraw/zinc/74/91/33/1351749133.db2.gz IDSTVNBDUYBPMU-UHFFFAOYSA-N -2 0 332.794 2.308 20 0 EEADRL O=C([O-])CCc1nnc(NC(=O)c2cc(F)c([O-])c(Cl)c2)s1 ZINC001608742182 1351753861 /nfs/dbraw/zinc/75/38/61/1351753861.db2.gz UBQFLSVYWHSJMG-UHFFFAOYSA-N -2 0 345.739 2.306 20 0 EEADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)/C=C/c2ccccc2)cc1 ZINC001608875500 1351784137 /nfs/dbraw/zinc/78/41/37/1351784137.db2.gz UFUXEQWZQVRNNS-ZHACJKMWSA-N -2 0 331.349 2.115 20 0 EEADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1ccc2ccccc2c1)C(=O)[O-] ZINC001609677493 1352056678 /nfs/dbraw/zinc/05/66/78/1352056678.db2.gz XBCCPBAKVCYTTK-UHFFFAOYSA-N -2 0 335.381 2.010 20 0 EEADRL CCCn1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])cn1 ZINC001609988010 1352135089 /nfs/dbraw/zinc/13/50/89/1352135089.db2.gz UBTWDTPPHGEEDG-UHFFFAOYSA-N -2 0 343.792 2.446 20 0 EEADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2noc(C3CC3)n2)c1C ZINC001610439370 1352222600 /nfs/dbraw/zinc/22/26/00/1352222600.db2.gz UPPJPCPUUKEUCJ-UHFFFAOYSA-N -2 0 337.357 2.063 20 0 EEADRL Cc1cc(F)c(S(=O)(=O)C=C([O-])c2cc(C(=O)[O-])co2)cc1F ZINC001610465311 1352227058 /nfs/dbraw/zinc/22/70/58/1352227058.db2.gz JSHVTMWKQMZKPY-UHFFFAOYSA-N -2 0 344.291 2.221 20 0 EEADRL Cc1ccc(C(=O)[O-])c(O)c1[N-]S(=O)(=O)c1c[nH]c2ncccc21 ZINC001610486220 1352231010 /nfs/dbraw/zinc/23/10/10/1352231010.db2.gz WYHLOQFKERDMLD-UHFFFAOYSA-N -2 0 347.352 2.076 20 0 EEADRL Cc1c(C(=O)[O-])cc(CNc2ccc(OCCC(=O)[O-])cc2)n1C ZINC001599996112 1349951763 /nfs/dbraw/zinc/95/17/63/1349951763.db2.gz WQCVRTVWTMPVCU-UHFFFAOYSA-N -2 0 332.356 2.497 20 0 EEADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nnc(C(C)C)o1 ZINC001600021468 1349956842 /nfs/dbraw/zinc/95/68/42/1349956842.db2.gz WVDMJJSOPUAOHA-UHFFFAOYSA-N -2 0 343.336 2.140 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2nc(C(C)(C)C(=O)[O-])cs2)sn1 ZINC001600301354 1350014710 /nfs/dbraw/zinc/01/47/10/1350014710.db2.gz FDDZJHMKFVQTQL-UHFFFAOYSA-N -2 0 347.443 2.071 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cc2n(n1)CCCC2 ZINC001600654684 1350108551 /nfs/dbraw/zinc/10/85/51/1350108551.db2.gz MVZHTBWTUTXTFF-UHFFFAOYSA-N -2 0 341.414 2.088 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)CCCC2CC2)cc1Cl ZINC001601265017 1350244597 /nfs/dbraw/zinc/24/45/97/1350244597.db2.gz HINLELNLJIDUAV-UHFFFAOYSA-N -2 0 345.804 2.423 20 0 EEADRL O=C([O-])[C@H](CS(=O)(=O)[N-]c1cccc2c[nH]nc21)c1ccccc1 ZINC001601656504 1350329970 /nfs/dbraw/zinc/32/99/70/1350329970.db2.gz BOIHMWFTBVISMG-CYBMUJFWSA-N -2 0 345.380 2.173 20 0 EEADRL O=C([O-])C1(CS(=O)(=O)[N-]c2ccc(F)c(F)c2[O-])CCCCC1 ZINC001601716540 1350347079 /nfs/dbraw/zinc/34/70/79/1350347079.db2.gz ZMOBHBDXQMGOOX-UHFFFAOYSA-N -3 0 349.355 2.447 20 0 EEADRL O=C([O-])C1CC2(C1)CN(c1nccc3cc(F)ccc31)C[C@H]2C(=O)[O-] ZINC001601784243 1350363845 /nfs/dbraw/zinc/36/38/45/1350363845.db2.gz ZLCVUTKVTBRPGN-QNNTWYEPSA-N -2 0 344.342 2.376 20 0 EEADRL O=C([O-])CCCc1nnc(NC(=O)c2nccc3occc32)s1 ZINC001602003456 1350415882 /nfs/dbraw/zinc/41/58/82/1350415882.db2.gz UJQORHKXGVVIDE-UHFFFAOYSA-N -2 0 332.341 2.339 20 0 EEADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)c1sc2ccccc2c1Cl ZINC001602028665 1350421508 /nfs/dbraw/zinc/42/15/08/1350421508.db2.gz XHIBPBXORUNUEE-UHFFFAOYSA-N -2 0 347.801 2.089 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)cn1 ZINC001602402279 1350510831 /nfs/dbraw/zinc/51/08/31/1350510831.db2.gz WJPJTVFLGLXHKX-UHFFFAOYSA-N -2 0 348.380 2.369 20 0 EEADRL O=C([O-])c1ccoc1C(=O)OCc1noc(-c2ccccc2O)n1 ZINC001602484949 1350530026 /nfs/dbraw/zinc/53/00/26/1350530026.db2.gz AQZLVQBUTNZZPN-UHFFFAOYSA-N -2 0 330.252 2.090 20 0 EEADRL O=C([O-])c1ncccc1S(=O)(=O)[N-]c1ccc([C@H]2CCOC2)cc1 ZINC001602578738 1350550202 /nfs/dbraw/zinc/55/02/02/1350550202.db2.gz HSVLNHFEGRIXID-LBPRGKRZSA-N -2 0 348.380 2.085 20 0 EEADRL C[C@H](C(=O)[O-])c1cccc([N-]S(=O)(=O)c2cn(C)c(Cl)n2)c1 ZINC001603221266 1350664724 /nfs/dbraw/zinc/66/47/24/1350664724.db2.gz JAHQWLDAUSBXMR-QMMMGPOBSA-N -2 0 343.792 2.062 20 0 EEADRL CC(C)(C(=O)[O-])c1csc([N-]S(=O)(=O)c2ccccc2)n1 ZINC001603281416 1350678886 /nfs/dbraw/zinc/67/88/86/1350678886.db2.gz RUCXJPWYFPSWSG-UHFFFAOYSA-N -2 0 326.399 2.306 20 0 EEADRL Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001605490478 1351169774 /nfs/dbraw/zinc/16/97/74/1351169774.db2.gz TVHIZSSYJBANHI-UHFFFAOYSA-N -2 0 339.764 2.222 20 0 EEADRL COc1cc(C(=O)[O-])ccc1-n1nc(C)c(C[C@H](C)C(=O)[O-])c1C ZINC001607109624 1351421932 /nfs/dbraw/zinc/42/19/32/1351421932.db2.gz DUHWLGJDXUPNDW-VIFPVBQESA-N -2 0 332.356 2.459 20 0 EEADRL COc1cc(CNC(=O)c2cc(F)c([O-])c(F)c2)ccc1C(=O)[O-] ZINC001607162293 1351440859 /nfs/dbraw/zinc/44/08/59/1351440859.db2.gz ORAFBNGPNBYHDL-UHFFFAOYSA-N -2 0 337.278 2.307 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c(C)c(OC)c1 ZINC001607180910 1351444356 /nfs/dbraw/zinc/44/43/56/1351444356.db2.gz HMDMMTZCZUXATA-UHFFFAOYSA-N -2 0 341.341 2.104 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccnn1C(C)(C)C ZINC001607519574 1351510203 /nfs/dbraw/zinc/51/02/03/1351510203.db2.gz VAHBCJPRCKJIBL-UHFFFAOYSA-N -2 0 337.401 2.446 20 0 EEADRL Cc1ccc(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)cc1C(=O)[O-] ZINC001607734887 1351548492 /nfs/dbraw/zinc/54/84/92/1351548492.db2.gz NVFGLSMJSBNJDO-UHFFFAOYSA-N -2 0 339.307 2.289 20 0 EEADRL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C)c(C)c2)oc1C(=O)[O-] ZINC001607817661 1351564413 /nfs/dbraw/zinc/56/44/13/1351564413.db2.gz AAOMENQUMJNCAP-UHFFFAOYSA-N -2 0 337.353 2.022 20 0 EEADRL Cc1cccc(C[C@@H](CNC(=O)[C@@H](C(=O)[O-])C2CCCC2)C(=O)[O-])c1 ZINC001607847062 1351570354 /nfs/dbraw/zinc/57/03/54/1351570354.db2.gz OZVZMQNDUFOYMQ-HOTGVXAUSA-N -2 0 347.411 2.246 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C3CC3)nc(C)n2)cc1C(=O)[O-] ZINC001607966383 1351594541 /nfs/dbraw/zinc/59/45/41/1351594541.db2.gz PCQBMKZLPTYYKX-UHFFFAOYSA-N -2 0 347.396 2.470 20 0 EEADRL O=C(c1ccccc1OP(=O)([O-])[O-])N1CC(Oc2ccccc2)C1 ZINC001189877875 1368382609 /nfs/dbraw/zinc/38/26/09/1368382609.db2.gz ZYFJDQWYLCFSOB-UHFFFAOYSA-N -2 0 349.279 2.062 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)ccn1 ZINC000319805677 778143901 /nfs/dbraw/zinc/14/39/01/778143901.db2.gz BBGYVGZQCVGWDT-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL COC(=O)c1ccc2ccc(NCCOP(=O)([O-])[O-])cc2c1 ZINC001168595137 791005213 /nfs/dbraw/zinc/00/52/13/791005213.db2.gz GMJKLALPVPXOKA-UHFFFAOYSA-N -2 0 325.257 2.148 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)n1 ZINC000909804818 786263552 /nfs/dbraw/zinc/26/35/52/786263552.db2.gz JWSYGYKZDNAMDN-YPMHNXCESA-N -2 0 343.383 2.076 20 0 EEADRL Cc1ccc(Cl)cc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910183842 786515462 /nfs/dbraw/zinc/51/54/62/786515462.db2.gz NUOIUBXPPCENJZ-CABZTGNLSA-N -2 0 325.748 2.038 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)Cc2csc3ccccc23)C1 ZINC000910192443 786524618 /nfs/dbraw/zinc/52/46/18/786524618.db2.gz QHHKVQMBRBZBGQ-ZWNOBZJWSA-N -2 0 347.392 2.220 20 0 EEADRL O=C([O-])[C@@H](CC1CCOCC1)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000910452303 786779310 /nfs/dbraw/zinc/77/93/10/786779310.db2.gz KKIRKITUTSOCAF-GFCCVEGCSA-N -2 0 327.764 2.045 20 0 EEADRL O=C(Nc1ccc(C(F)F)cn1)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148916872 792783024 /nfs/dbraw/zinc/78/30/24/792783024.db2.gz GAAZLLJTXZENAP-UHFFFAOYSA-N -2 0 344.295 2.224 20 0 EEADRL Cc1ccc(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])c2n[nH]cc21 ZINC001148926685 792815455 /nfs/dbraw/zinc/81/54/55/792815455.db2.gz RQOMPIHMGFBMDH-UHFFFAOYSA-N -2 0 347.352 2.076 20 0 EEADRL O=C([O-])c1cc(Nc2ccnn2CC2CCOCC2)cc(C(=O)[O-])c1 ZINC001176237403 798390272 /nfs/dbraw/zinc/39/02/72/798390272.db2.gz GJEVKEUWLPMMEH-UHFFFAOYSA-N -2 0 345.355 2.450 20 0 EEADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCC[C@@]2(C)C(=O)[O-])n1 ZINC000826570818 800395943 /nfs/dbraw/zinc/39/59/43/800395943.db2.gz PWSBRRSLQOTFCE-KRWDZBQOSA-N -2 0 347.346 2.105 20 0 EEADRL C[C@@H](C(=O)[O-])N(C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C1CC1 ZINC001602819710 971620487 /nfs/dbraw/zinc/62/04/87/971620487.db2.gz FDDMEYBAAMKFRC-VIFPVBQESA-N -2 0 349.774 2.309 20 0 EEADRL O=C([O-])CC[C@@H]1C[C@H](C(=O)Nc2cc(Cl)c([O-])cc2F)CO1 ZINC001595003544 951166781 /nfs/dbraw/zinc/16/67/81/951166781.db2.gz DXYURAOQIKWTSR-JGVFFNPUSA-N -2 0 331.727 2.393 20 0 EEADRL CCC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)c1 ZINC001589426642 954630515 /nfs/dbraw/zinc/63/05/15/954630515.db2.gz QIJYWQDGSHLNBR-RYUDHWBXSA-N -2 0 335.356 2.193 20 0 EEADRL CCC(CC)(CNC(=O)c1nn(-c2cccc(F)c2)cc1[O-])C(=O)[O-] ZINC001589502525 955032299 /nfs/dbraw/zinc/03/22/99/955032299.db2.gz QXYWKJFXNNBOTQ-UHFFFAOYSA-N -2 0 349.362 2.338 20 0 EEADRL CC(C)Cc1ccc(S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])cc1 ZINC000863958819 955925721 /nfs/dbraw/zinc/92/57/21/955925721.db2.gz KXFNJFTYPXZJFE-UHFFFAOYSA-N -2 0 341.429 2.335 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cn1 ZINC000128260019 958650314 /nfs/dbraw/zinc/65/03/14/958650314.db2.gz DHLRGUCVQYTTOV-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)n2)cc1 ZINC000149700149 959023002 /nfs/dbraw/zinc/02/30/02/959023002.db2.gz NBLGFRQVXYERPN-UHFFFAOYSA-N -2 0 326.761 2.163 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cccnc1N(C)C ZINC000318650652 970457748 /nfs/dbraw/zinc/45/77/48/970457748.db2.gz AUUJNNSWPIMDMX-UHFFFAOYSA-N -2 0 341.414 2.017 20 0 EEADRL CC(C)c1ccc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001591943241 976476891 /nfs/dbraw/zinc/47/68/91/976476891.db2.gz OYZTYNKUFRNNBL-UHFFFAOYSA-N -2 0 337.353 2.220 20 0 EEADRL CC(C)c1cccc(S(=O)(=O)[N-]C(=O)c2cc(C(=O)[O-])co2)c1 ZINC001591994791 976635970 /nfs/dbraw/zinc/63/59/70/976635970.db2.gz SHAJYCKMYIAVRC-UHFFFAOYSA-N -2 0 337.353 2.220 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)c1 ZINC000833333988 979163341 /nfs/dbraw/zinc/16/33/41/979163341.db2.gz HWDFCYGHYHDCMO-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL CCC(CC)(CC(=O)N[C@H](C)c1ncc(C(=O)[O-])s1)C(=O)[O-] ZINC001595047711 979259185 /nfs/dbraw/zinc/25/91/85/979259185.db2.gz FKOKZWXEOAHBBE-MRVPVSSYSA-N -2 0 328.390 2.300 20 0 EEADRL CCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001595585775 981525918 /nfs/dbraw/zinc/52/59/18/981525918.db2.gz CEJMKSNGANMGPT-JTQLQIEISA-N -2 0 345.392 2.084 20 0 EEADRL CCC[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001595586342 981531441 /nfs/dbraw/zinc/53/14/41/981531441.db2.gz WQAAVHCNUMNFNI-JTQLQIEISA-N -2 0 331.390 2.245 20 0 EEADRL CCCOc1cncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1 ZINC001595975891 983213903 /nfs/dbraw/zinc/21/39/03/983213903.db2.gz UUDFCXZWFHLGBI-UHFFFAOYSA-N -2 0 340.357 2.271 20 0 EEADRL CCN(C(=O)c1cc(F)c([O-])c(F)c1)c1ncc(C(=O)[O-])s1 ZINC001596164450 983527248 /nfs/dbraw/zinc/52/72/48/983527248.db2.gz OVMCEXVHCAJNSO-UHFFFAOYSA-N -2 0 328.296 2.492 20 0 EEADRL CCOC(=O)c1[n-]c(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)nc1Cl ZINC001596691650 984808601 /nfs/dbraw/zinc/80/86/01/984808601.db2.gz NQZHMSJBKWXLJK-YUMQZZPRSA-N -2 0 343.767 2.069 20 0 EEADRL Cc1[nH]c(C([O-])=CS(=O)(=O)Cc2ccsc2)c(C)c1C(=O)[O-] ZINC001599947843 985559216 /nfs/dbraw/zinc/55/92/16/985559216.db2.gz QSTMXHQVSLOEKH-UHFFFAOYSA-N -2 0 341.410 2.189 20 0 EEADRL C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1c1ncccc1C(=O)[O-] ZINC001594566923 986356372 /nfs/dbraw/zinc/35/63/72/986356372.db2.gz BTVKCSQAIBTZSW-GFCCVEGCSA-N -2 0 341.367 2.193 20 0 EEADRL CCc1[nH]c(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c(C)c1C(=O)[O-] ZINC001597360857 987515603 /nfs/dbraw/zinc/51/56/03/987515603.db2.gz HUXWFYLPAAGQMO-LLVKDONJSA-N -2 0 336.388 2.301 20 0 EEADRL CCc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)nc(C)n1 ZINC001597482523 987978135 /nfs/dbraw/zinc/97/81/35/987978135.db2.gz KOAZNEPWMMCWSG-UHFFFAOYSA-N -2 0 335.385 2.155 20 0 EEADRL C[C@@H]1CN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)C[C@H]1CC(=O)[O-] ZINC001599858243 989123134 /nfs/dbraw/zinc/12/31/34/989123134.db2.gz XYQNAEASLVMQBV-FKGLVLAHSA-N -2 0 346.383 2.052 20 0 EEADRL CCc1onc(C)c1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC001597816819 989449596 /nfs/dbraw/zinc/44/95/96/989449596.db2.gz ZSKLHNIAUZTOKN-UHFFFAOYSA-N -2 0 346.386 2.115 20 0 EEADRL CCn1nccc1S(=O)(=O)[N-]c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001597967993 990010082 /nfs/dbraw/zinc/01/00/82/990010082.db2.gz KRROWCNFFFWOBT-UHFFFAOYSA-N -2 0 347.755 2.195 20 0 EEADRL CC(C)(C)n1nccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001590605129 990271420 /nfs/dbraw/zinc/27/14/20/990271420.db2.gz OOYBJSYMLPIELZ-UHFFFAOYSA-N -2 0 341.364 2.276 20 0 EEADRL CC(C)(CCNC(=O)Nc1ccc(OCCC(=O)[O-])cc1)C(=O)[O-] ZINC001590679495 990391185 /nfs/dbraw/zinc/39/11/85/990391185.db2.gz QXEWXXZUNPDPJH-UHFFFAOYSA-N -2 0 338.360 2.163 20 0 EEADRL CC(C)(CS(=O)(=O)[N-]C(=O)C[C@@H]1CCCCC1(C)C)C(=O)[O-] ZINC001590798081 990618548 /nfs/dbraw/zinc/61/85/48/990618548.db2.gz KOFLFPNLXUVDHY-NSHDSACASA-N -2 0 333.450 2.150 20 0 EEADRL C[C@H]1CCC[C@@]1(C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001594357361 999351520 /nfs/dbraw/zinc/35/15/20/999351520.db2.gz LXGRBMKSMAIEFD-ISVAXAHUSA-N -2 0 331.415 2.078 20 0 EEADRL C[C@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001594363935 999374718 /nfs/dbraw/zinc/37/47/18/999374718.db2.gz PBFKTLMUPQJKJY-FZMZJTMJSA-N -2 0 339.413 2.157 20 0 EEADRL C[C@@H]1CCN(Cc2ncc(Br)cc2[O-])[C@H](C(=O)[O-])C1 ZINC001594427612 999598087 /nfs/dbraw/zinc/59/80/87/999598087.db2.gz WKAJGKBZMBJSHC-KCJUWKMLSA-N -2 0 329.194 2.235 20 0 EEADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000267340245 256050188 /nfs/dbraw/zinc/05/01/88/256050188.db2.gz HNEUDFUFCCHQSL-UHFFFAOYSA-N -2 0 337.401 2.347 20 0 EEADRL COC(=O)c1csc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c1 ZINC000355054191 163064645 /nfs/dbraw/zinc/06/46/45/163064645.db2.gz JKRXIOXKHLDZTB-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL Cc1noc2ncc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)cc12 ZINC000360229658 164262584 /nfs/dbraw/zinc/26/25/84/164262584.db2.gz FAPXAZYFICJIAL-UHFFFAOYSA-N -2 0 333.325 2.030 20 0 EEADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000275109891 274224300 /nfs/dbraw/zinc/22/43/00/274224300.db2.gz RSYAGMYFUJEVEF-UHFFFAOYSA-N -2 0 341.364 2.411 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)nn1C(C)C ZINC000421189125 314062431 /nfs/dbraw/zinc/06/24/31/314062431.db2.gz ZNGQTTYBUVILDY-UHFFFAOYSA-N -2 0 337.401 2.200 20 0 EEADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c1 ZINC000436895976 315010438 /nfs/dbraw/zinc/01/04/38/315010438.db2.gz WSODWYJCISVGHK-UHFFFAOYSA-N -2 0 332.337 2.373 20 0 EEADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc3cccnc32)c1O ZINC000436997716 315022024 /nfs/dbraw/zinc/02/20/24/315022024.db2.gz XHRLVKHLWXTVJK-UHFFFAOYSA-N -2 0 344.348 2.439 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])CCCC3)cn1 ZINC000570584588 319678766 /nfs/dbraw/zinc/67/87/66/319678766.db2.gz CGZNLKXMYFVTDG-UHFFFAOYSA-N -2 0 349.412 2.281 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2O)ccc1C(=O)[O-] ZINC000350873314 465030631 /nfs/dbraw/zinc/03/06/31/465030631.db2.gz XTZNOWFXLSOKCH-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000096744471 463298620 /nfs/dbraw/zinc/29/86/20/463298620.db2.gz ZNTBHMUMVIMKNB-UHFFFAOYSA-N -2 0 349.364 2.129 20 0 EEADRL Cc1cc(C(=O)Nc2cccc3cccnc32)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000151530279 463548537 /nfs/dbraw/zinc/54/85/37/463548537.db2.gz WCLLZAJQNCJPFP-UHFFFAOYSA-N -2 0 347.334 2.133 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc2n(n1)CCCC2 ZINC000285042695 464437279 /nfs/dbraw/zinc/43/72/79/464437279.db2.gz JUPCSENHBPQTAN-UHFFFAOYSA-N -2 0 335.385 2.027 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)c(F)c1 ZINC000358848864 465356646 /nfs/dbraw/zinc/35/66/46/465356646.db2.gz APKAKXXIEAJLOY-UHFFFAOYSA-N -2 0 339.344 2.262 20 0 EEADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2sc(C)nc2C)c1 ZINC000362283566 465629513 /nfs/dbraw/zinc/62/95/13/465629513.db2.gz JZKOZAMDYIGUDP-UHFFFAOYSA-N -2 0 342.398 2.268 20 0 EEADRL Cc1ccc(CO)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000353675328 466059286 /nfs/dbraw/zinc/05/92/86/466059286.db2.gz KEZWFEVILYIVNC-UHFFFAOYSA-N -2 0 327.383 2.048 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1OC ZINC000315717180 466563639 /nfs/dbraw/zinc/56/36/39/466563639.db2.gz RIHCVAZXZFAZKW-UHFFFAOYSA-N -2 0 343.382 2.264 20 0 EEADRL Cc1cnc(N)c(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC000350731027 466590580 /nfs/dbraw/zinc/59/05/80/466590580.db2.gz XUNQDIYHFSMKFH-NSHDSACASA-N -2 0 349.412 2.036 20 0 EEADRL COc1ncc(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000350829586 466618198 /nfs/dbraw/zinc/61/81/98/466618198.db2.gz JSAQKZGYBVTJDS-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(C2CC2)nc1 ZINC000591684058 468502185 /nfs/dbraw/zinc/50/21/85/468502185.db2.gz HKIUIZULYKKQEJ-UHFFFAOYSA-N -2 0 339.398 2.223 20 0 EEADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000324029446 466642523 /nfs/dbraw/zinc/64/25/23/466642523.db2.gz PIXFUGXYZHYNMR-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2CC(=O)[O-])c(F)c1 ZINC000404975749 467478649 /nfs/dbraw/zinc/47/86/49/467478649.db2.gz XIOIFFQKQGIKJE-DGCLKSJQSA-N -2 0 329.393 2.446 20 0 EEADRL CC(C)C[C@H](CNC(=O)N1CCC(C)(C(=O)[O-])CC1)CC(=O)[O-] ZINC000659415608 471615476 /nfs/dbraw/zinc/61/54/76/471615476.db2.gz NUCNFTHQPODJBG-LBPRGKRZSA-N -2 0 328.409 2.020 20 0 EEADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000681563994 486275709 /nfs/dbraw/zinc/27/57/09/486275709.db2.gz CEVHXWSUPLQTHZ-UHFFFAOYSA-N -2 0 341.364 2.480 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2ccc(F)c(C)c2)sc1C(=O)[O-] ZINC000738477804 578016575 /nfs/dbraw/zinc/01/65/75/578016575.db2.gz GKSMJAWITIMJKZ-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL CCc1cccc(CC)c1[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000737267164 578247085 /nfs/dbraw/zinc/24/70/85/578247085.db2.gz MPCKLLJIUZATPF-UHFFFAOYSA-N -2 0 337.401 2.342 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccccc1CC(=O)[O-] ZINC000818772655 597142787 /nfs/dbraw/zinc/14/27/87/597142787.db2.gz DZXFJEMSOCQNCB-UHFFFAOYSA-N -2 0 349.364 2.121 20 0 EEADRL O=C([O-])c1ccc(CNC(=O)C[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000819135112 597204992 /nfs/dbraw/zinc/20/49/92/597204992.db2.gz FUNHCDMKWOTANC-HNNXBMFYSA-N -2 0 327.336 2.260 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccccc2N(C)C)c1C(=O)[O-] ZINC000320127448 600105108 /nfs/dbraw/zinc/10/51/08/600105108.db2.gz UDUURWNJZIIJFH-UHFFFAOYSA-N -2 0 338.385 2.461 20 0 EEADRL O=C([O-])CC[C@@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000833222142 600669937 /nfs/dbraw/zinc/66/99/37/600669937.db2.gz LCBZUYVGBTTYEJ-QLFBSQMISA-N -2 0 331.368 2.376 20 0 EEADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1nc(C)c(C)s1 ZINC000831950440 601201026 /nfs/dbraw/zinc/20/10/26/601201026.db2.gz UIAMMQGYVANARV-UHFFFAOYSA-N -2 0 348.427 2.329 20 0 EEADRL CCC[C@](C)(NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-])C(=O)[O-] ZINC000829194145 601244516 /nfs/dbraw/zinc/24/45/16/601244516.db2.gz WUMLGHNEMZRHAY-KRWDZBQOSA-N -2 0 349.362 2.399 20 0 EEADRL CCC[C@@](C)(NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-])C(=O)[O-] ZINC000829194146 601244595 /nfs/dbraw/zinc/24/45/95/601244595.db2.gz WUMLGHNEMZRHAY-QGZVFWFLSA-N -2 0 349.362 2.399 20 0 EEADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2cccc(NC(=O)[O-])c2)c1 ZINC000826924438 601387426 /nfs/dbraw/zinc/38/74/26/601387426.db2.gz GMJKBXYCWKSEGF-UHFFFAOYSA-N -2 0 338.389 2.430 20 0 EEADRL Cc1nc(NC(=O)c2n[n-]c3ccccc3c2=O)sc1C(=O)[O-] ZINC000833002051 601435475 /nfs/dbraw/zinc/43/54/75/601435475.db2.gz KEWKKHPCKWCLCF-UHFFFAOYSA-N -2 0 330.325 2.051 20 0 EEADRL Cc1[nH]c(C([O-])=CS(=O)(=O)c2cccc(F)c2)c(C)c1C(=O)[O-] ZINC000832842723 601515662 /nfs/dbraw/zinc/51/56/62/601515662.db2.gz CTTYXTBKHWCYBA-UHFFFAOYSA-N -2 0 339.344 2.125 20 0 EEADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000833347341 601604169 /nfs/dbraw/zinc/60/41/69/601604169.db2.gz ZDEUEHVSMPLWNP-UHFFFAOYSA-N -2 0 336.753 2.435 20 0 EEADRL O=C([O-])c1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000833344032 602116989 /nfs/dbraw/zinc/11/69/89/602116989.db2.gz XVUJJLILVHVTSU-UHFFFAOYSA-N -3 0 345.329 2.084 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2nc(CCC(=O)[O-])cs2)c1 ZINC000832973057 604622905 /nfs/dbraw/zinc/62/29/05/604622905.db2.gz UYECEWGHVQHLSJ-UHFFFAOYSA-N -2 0 326.399 2.270 20 0 EEADRL CCc1cc(C)c(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])o1 ZINC000830218642 604700542 /nfs/dbraw/zinc/70/05/42/604700542.db2.gz GPHWMKXSPUKIBD-UHFFFAOYSA-N -2 0 343.382 2.029 20 0 EEADRL O=C([O-])C1(CNC(=O)c2c([O-])cc(Cl)cc2Cl)CCOCC1 ZINC000833766360 605137258 /nfs/dbraw/zinc/13/72/58/605137258.db2.gz SMCSKFMESLINGZ-UHFFFAOYSA-N -2 0 348.182 2.310 20 0 EEADRL CCO[C@@H]1C[C@](NC(=O)c2ccc([O-])c(Cl)c2)(C(=O)[O-])C1(C)C ZINC000909599103 686951692 /nfs/dbraw/zinc/95/16/92/686951692.db2.gz BYEIIWVXQGBBIQ-WBMJQRKESA-N -2 0 341.791 2.434 20 0 EEADRL Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)C(F)(F)F)cc1C(=O)[O-] ZINC000871962637 1197993319 /nfs/dbraw/zinc/99/33/19/1197993319.db2.gz FOHVDRCYHCMCKW-ZCFIWIBFSA-N -2 0 329.271 2.061 20 0 EEADRL Nc1cccc(S(=O)(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c1 ZINC001203328627 1202294374 /nfs/dbraw/zinc/29/43/74/1202294374.db2.gz YABAJFSCBDPMIN-UHFFFAOYSA-N -2 0 328.296 2.046 20 0 EEADRL Cn1cc2cccc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)c2n1 ZINC001186183583 1278981815 /nfs/dbraw/zinc/98/18/15/1278981815.db2.gz GCAIYBFATLSXEU-UHFFFAOYSA-N -2 0 349.343 2.211 20 0 EEADRL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)n1 ZINC001195195280 1283486758 /nfs/dbraw/zinc/48/67/58/1283486758.db2.gz VJZYCYOICMAALE-UHFFFAOYSA-N -2 0 342.323 2.476 20 0 EEADRL CCOC(=O)[C@H](Oc1ccc(OP(=O)([O-])[O-])cc1)C(F)(F)F ZINC001234332080 1304877744 /nfs/dbraw/zinc/87/77/44/1304877744.db2.gz BIQPUBDQGJKCEU-VIFPVBQESA-N -2 0 344.178 2.031 20 0 EEADRL C[C@@H](O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC001260209051 1319832007 /nfs/dbraw/zinc/83/20/07/1319832007.db2.gz PGSRBXQGKASQEQ-SECBINFHSA-N -2 0 339.344 2.378 20 0 EEADRL O=P([O-])([O-])OCCNc1nc(Cl)cc2c(Cl)ccnc21 ZINC001157791508 1318863346 /nfs/dbraw/zinc/86/33/46/1318863346.db2.gz PVBRYRPBPUWLHG-UHFFFAOYSA-N -2 0 338.087 2.458 20 0 EEADRL O=C([O-])c1cc(-c2nnc(C3CCCC3)o2)cc(S(=O)(=O)[O-])c1 ZINC001257588185 1319029003 /nfs/dbraw/zinc/02/90/03/1319029003.db2.gz BTPRJDWYOSCNJP-UHFFFAOYSA-N -2 0 338.341 2.339 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc3ccc(=O)[nH]c32)c1 ZINC001260190941 1319821041 /nfs/dbraw/zinc/82/10/41/1319821041.db2.gz OGXSXPSHTGQERL-UHFFFAOYSA-N -2 0 344.348 2.439 20 0 EEADRL COC(=O)c1ccsc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260221331 1319835299 /nfs/dbraw/zinc/83/52/99/1319835299.db2.gz PNKHKOLYCGRDDQ-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL O=C([O-])CNC(=O)c1ccc(Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC001203298740 1321860188 /nfs/dbraw/zinc/86/01/88/1321860188.db2.gz DZESIABCFWZUAH-UHFFFAOYSA-N -2 0 332.287 2.082 20 0 EEADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(CO)cc2)c1 ZINC000388747194 1322751317 /nfs/dbraw/zinc/75/13/17/1322751317.db2.gz JFPUUUJYBZJQJM-UHFFFAOYSA-N -2 0 341.772 2.331 20 0 EEADRL Cc1[nH]c(C([O-])=CS(=O)(=O)c2ccc(C)cc2)c(C)c1C(=O)[O-] ZINC001600474342 1350060663 /nfs/dbraw/zinc/06/06/63/1350060663.db2.gz PEOZKKBFIKSPFS-UHFFFAOYSA-N -2 0 335.381 2.295 20 0 EEADRL CCC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1 ZINC001604863828 1351021814 /nfs/dbraw/zinc/02/18/14/1351021814.db2.gz ASQUNFJZLIPHAQ-UHFFFAOYSA-N -2 0 336.369 2.117 20 0 EEADRL O=C([O-])CCN(CC(=O)[O-])Cc1cnc(-c2ccccc2F)s1 ZINC001608721147 1351749333 /nfs/dbraw/zinc/74/93/33/1351749333.db2.gz YOUPZIPSHLPZRZ-UHFFFAOYSA-N -2 0 338.360 2.311 20 0 EEADRL O=C([O-])[C@H]1CC(F)(F)CN1C(=O)c1ccc2ccc(O)cc2c1O ZINC001608818961 1351771356 /nfs/dbraw/zinc/77/13/56/1351771356.db2.gz HDPLSWKELYSLHL-GFCCVEGCSA-N -2 0 337.278 2.185 20 0 EEADRL O=C([O-])c1c(Cl)cccc1S(=O)(=O)[N-]C(=O)[C@@H]1CC12CCC2 ZINC001608827146 1351773134 /nfs/dbraw/zinc/77/31/34/1351773134.db2.gz AIXXCGGVDSBQPN-QMMMGPOBSA-N -2 0 343.788 2.033 20 0 EEADRL O=C([O-])c1cc(F)cc(S(=O)(=O)NC[C@H]2CC=CCC2)c1F ZINC001608849982 1351778322 /nfs/dbraw/zinc/77/83/22/1351778322.db2.gz AUVXKTRSIRQENW-VIFPVBQESA-N -2 0 331.340 2.298 20 0 EEADRL O=C([O-])c1ccc(CNS(=O)(=O)c2cccc(Cl)c2[O-])s1 ZINC001608887802 1351787711 /nfs/dbraw/zinc/78/77/11/1351787711.db2.gz DMZVCLBJTHRGJD-UHFFFAOYSA-N -2 0 347.801 2.284 20 0 EEADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C2CCC2)cc1 ZINC001609638375 1352047669 /nfs/dbraw/zinc/04/76/69/1352047669.db2.gz DZLDOPYRKSEVDX-MNOVXSKESA-N -2 0 339.413 2.123 20 0 EEADRL CC(C)[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])CC1 ZINC001609717577 1352067636 /nfs/dbraw/zinc/06/76/36/1352067636.db2.gz WGBUCJHTWSOHPK-HAQNSBGRSA-N -2 0 333.450 2.006 20 0 EEADRL CC(C)c1ccoc1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001609720960 1352068396 /nfs/dbraw/zinc/06/83/96/1352068396.db2.gz AGXUTHZKOLHYDA-UHFFFAOYSA-N -2 0 337.353 2.220 20 0 EEADRL CC(C)c1scnc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001609723867 1352069456 /nfs/dbraw/zinc/06/94/56/1352069456.db2.gz YPKWLOAMZMWJMV-UHFFFAOYSA-N -2 0 342.398 2.471 20 0 EEADRL CCO[N-]C(=O)C(=O)Nc1c(-c2ccc(C)cc2)csc1C(=O)[O-] ZINC001610038687 1352147466 /nfs/dbraw/zinc/14/74/66/1352147466.db2.gz SLJLKDKKUYWDGU-UHFFFAOYSA-N -2 0 348.380 2.428 20 0 EEADRL CN(C(=O)c1ccc2oc(=S)[n-]c2c1)c1nc(CC(=O)[O-])cs1 ZINC001610093125 1352160276 /nfs/dbraw/zinc/16/02/76/1352160276.db2.gz KNUBHXIZMYTHHR-UHFFFAOYSA-N -2 0 349.393 2.477 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CC[C@H](C(=O)[O-])C3)o1 ZINC001610514110 1352236648 /nfs/dbraw/zinc/23/66/48/1352236648.db2.gz KTTVEFQSIFJXEI-QMMMGPOBSA-N -2 0 342.398 2.035 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2c(C)cccc2F)sc1C(=O)[O-] ZINC001610522740 1352238168 /nfs/dbraw/zinc/23/81/68/1352238168.db2.gz ATDSTUNODZPULF-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)c1C(=O)[O-] ZINC001610526804 1352238953 /nfs/dbraw/zinc/23/89/53/1352238953.db2.gz YMHQBHWWYGMMME-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL Cc1oncc1[N-]S(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC001610588888 1352250203 /nfs/dbraw/zinc/25/02/03/1352250203.db2.gz PCCBBHWTCUDRCI-UHFFFAOYSA-N -2 0 333.325 2.030 20 0 EEADRL O=C([O-])C[C@H]1CSCCN1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC001610765129 1352270926 /nfs/dbraw/zinc/27/09/26/1352270926.db2.gz HYEMQNRYEIPIPZ-QMMMGPOBSA-N -2 0 333.768 2.217 20 0 EEADRL CCC(CC)(NC(=O)c1nn(-c2cc(C)ccc2F)cc1[O-])C(=O)[O-] ZINC001595098028 1349880962 /nfs/dbraw/zinc/88/09/62/1349880962.db2.gz VJCNNVVJOAOUJU-UHFFFAOYSA-N -2 0 349.362 2.399 20 0 EEADRL Cc1c(NC(=O)c2cc(F)c([O-])c(Cl)c2)cnn1CC(=O)[O-] ZINC001600047411 1349961870 /nfs/dbraw/zinc/96/18/70/1349961870.db2.gz UHWHXEFJEHQXDW-UHFFFAOYSA-N -2 0 327.699 2.027 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)c(C(=O)[O-])s1 ZINC001600281749 1350010020 /nfs/dbraw/zinc/01/00/20/1350010020.db2.gz MQYSBIDUQBXHGU-UHFFFAOYSA-N -2 0 349.821 2.251 20 0 EEADRL Cc1nn(C)c([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c1C(=O)[O-] ZINC001600301682 1350015213 /nfs/dbraw/zinc/01/52/13/1350015213.db2.gz QIWHNBQFAAELHO-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)nc2c1CCCC2 ZINC001600718923 1350120283 /nfs/dbraw/zinc/12/02/83/1350120283.db2.gz ZIOPAYNRKKJQFV-UHFFFAOYSA-N -2 0 347.396 2.163 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc(C2CC2)n1 ZINC001600719084 1350120588 /nfs/dbraw/zinc/12/05/88/1350120588.db2.gz ZLGWABKJTMCHMB-UHFFFAOYSA-N -2 0 339.398 2.223 20 0 EEADRL Cc1nc2ccc(S(=O)(=O)[N-]c3cc(C(=O)[O-])ccn3)cc2s1 ZINC001600728349 1350122713 /nfs/dbraw/zinc/12/27/13/1350122713.db2.gz MMMZNJMTQZVQKM-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2cccc3ncccc23)cc1C(=O)[O-] ZINC001600747632 1350127169 /nfs/dbraw/zinc/12/71/69/1350127169.db2.gz UASVEVSGOWMKNG-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL Cc1nn(C)c(C)c1-c1cc(=O)n(-c2ccc(F)c(C(=O)[O-])c2)[n-]1 ZINC001600769663 1350131992 /nfs/dbraw/zinc/13/19/92/1350131992.db2.gz FWNPVAGJWVIEQC-UHFFFAOYSA-N -2 0 330.319 2.015 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cnn(C)c2C(F)F)c1C(=O)[O-] ZINC001600838116 1350148810 /nfs/dbraw/zinc/14/88/10/1350148810.db2.gz CYDHXFAUOVNCJH-UHFFFAOYSA-N -2 0 349.315 2.067 20 0 EEADRL O=C([O-])c1cc(NC(=O)C(=O)[N-]OCCC2CC2)cc2ccccc21 ZINC001601563119 1350307478 /nfs/dbraw/zinc/30/74/78/1350307478.db2.gz TXEWJUVBOHINBV-UHFFFAOYSA-N -2 0 342.351 2.324 20 0 EEADRL O=C([O-])c1ccc(NC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1Cl ZINC001601595168 1350315300 /nfs/dbraw/zinc/31/53/00/1350315300.db2.gz FOEHYBJLXMPMBY-JGVFFNPUSA-N -2 0 326.736 2.413 20 0 EEADRL O=C([O-])[C@@]1(F)CCN(Cc2cc(=O)oc3cc([O-])c(Cl)cc23)C1 ZINC001601716674 1350346680 /nfs/dbraw/zinc/34/66/80/1350346680.db2.gz APUOMZQJJBKGGD-OAHLLOKOSA-N -2 0 341.722 2.151 20 0 EEADRL O=C([O-])[C@@H]1CCCC[C@@H]1S(=O)(=O)[N-]CC(F)(F)c1ccccc1 ZINC001601809830 1350369827 /nfs/dbraw/zinc/36/98/27/1350369827.db2.gz JGUBEOLXBHYJOA-OLZOCXBDSA-N -2 0 347.383 2.341 20 0 EEADRL O=C([O-])/C=C\c1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)co1 ZINC001601870802 1350385961 /nfs/dbraw/zinc/38/59/61/1350385961.db2.gz DMAUVQDZQPGZSF-SEDMMIDLSA-N -2 0 333.340 2.093 20 0 EEADRL O=C([O-])CCCO[N-]C(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC001601994546 1350413066 /nfs/dbraw/zinc/41/30/66/1350413066.db2.gz IGAXZCUCFLZXEE-UHFFFAOYSA-N -2 0 349.383 2.182 20 0 EEADRL O=C([O-])CCCOc1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)cc1 ZINC001601997387 1350413921 /nfs/dbraw/zinc/41/39/21/1350413921.db2.gz LTIFLDAABDSFJM-NEPJUHHUSA-N -2 0 335.356 2.370 20 0 EEADRL O=C([O-])CN(C(=O)c1nn(-c2ccccc2)cc1[O-])C1CCCCC1 ZINC001602052737 1350427934 /nfs/dbraw/zinc/42/79/34/1350427934.db2.gz QFZQQHPBYBJMDD-UHFFFAOYSA-N -2 0 343.383 2.437 20 0 EEADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2cccc(C3CCC3)c2)cn1 ZINC001602164806 1350455410 /nfs/dbraw/zinc/45/54/10/1350455410.db2.gz HWWABZKWVQPRKB-UHFFFAOYSA-N -2 0 335.385 2.036 20 0 EEADRL O=C([O-])c1coc(CNC(=O)c2c([O-])cc(Cl)cc2Cl)n1 ZINC001602554218 1350544988 /nfs/dbraw/zinc/54/49/88/1350544988.db2.gz BEZVFVLXPMPHJK-UHFFFAOYSA-N -2 0 331.111 2.315 20 0 EEADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cnn(C3CCC3)c2)c1 ZINC001602564710 1350547896 /nfs/dbraw/zinc/54/78/96/1350547896.db2.gz JKSNKQPTAKOVLC-UHFFFAOYSA-N -2 0 327.387 2.169 20 0 EEADRL C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C[C@H]1C ZINC001604692356 1350986135 /nfs/dbraw/zinc/98/61/35/1350986135.db2.gz JCCJBDSHZAGBII-OPRDCNLKSA-N -2 0 345.442 2.324 20 0 EEADRL CCCC[C@@](C)(F)C(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001605234534 1351111735 /nfs/dbraw/zinc/11/17/35/1351111735.db2.gz AGPIVYKGMZAQFK-CQSZACIVSA-N -2 0 346.380 2.076 20 0 EEADRL CCCc1c(C(=O)Nc2cc(C(=O)[O-])ccn2)[nH]c(C)c1C(=O)[O-] ZINC001605365790 1351145303 /nfs/dbraw/zinc/14/53/03/1351145303.db2.gz ISXNPBCJCMRVQQ-UHFFFAOYSA-N -2 0 331.328 2.319 20 0 EEADRL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F)C(F)(F)F ZINC001605761937 1351221693 /nfs/dbraw/zinc/22/16/93/1351221693.db2.gz VNNWTBBHGSDIFI-VIFPVBQESA-N -2 0 343.298 2.452 20 0 EEADRL CO[C@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[O-])[C@@](C)(C(=O)[O-])C1 ZINC001606766110 1351353906 /nfs/dbraw/zinc/35/39/06/1351353906.db2.gz YUGJBLZDQPMOIE-XLKFXECMSA-N -2 0 348.182 2.403 20 0 EEADRL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001607499856 1351506393 /nfs/dbraw/zinc/50/63/93/1351506393.db2.gz DTOXQBCRJYXESG-UHFFFAOYSA-N -2 0 337.329 2.216 20 0 EEADRL Cc1ccc(NC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)c(C(=O)[O-])c1 ZINC001607805771 1351562914 /nfs/dbraw/zinc/56/29/14/1351562914.db2.gz CVPMKHSANDTNBF-UHFFFAOYSA-N -2 0 339.307 2.289 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2cnc(C)nc2C2CC2)c1C(=O)[O-] ZINC001607983886 1351597893 /nfs/dbraw/zinc/59/78/93/1351597893.db2.gz IEHICAJOAVWDIR-UHFFFAOYSA-N -2 0 347.396 2.470 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(C)nc1C1CC1 ZINC001607983819 1351597995 /nfs/dbraw/zinc/59/79/95/1351597995.db2.gz GWWCSWJXQJVLAS-UHFFFAOYSA-N -2 0 347.396 2.470 20 0 EEADRL O=C([O-])[C@H](NC(=O)c1cccc(C(F)(F)F)c1[O-])c1cccnc1 ZINC001608387910 1351684073 /nfs/dbraw/zinc/68/40/73/1351684073.db2.gz NRNITAGRAAKNJV-LLVKDONJSA-N -2 0 340.257 2.362 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(Cl)n2)ccc1F ZINC000149700375 1373275868 /nfs/dbraw/zinc/27/58/68/1373275868.db2.gz DRJORMVNVSTLLM-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL CCc1[nH]c(C(=O)Nc2ccccc2-c2nn[nH]n2)c(C)c1C(=O)[O-] ZINC001605771204 1404753590 /nfs/dbraw/zinc/75/35/90/1404753590.db2.gz YMMWLYVGGUIKAD-UHFFFAOYSA-N -2 0 340.343 2.016 20 0 EEADRL N#Cc1c(F)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000319709281 1409852614 /nfs/dbraw/zinc/85/26/14/1409852614.db2.gz YVVWCQDKLCJBOY-UHFFFAOYSA-N -2 0 338.291 2.335 20 0 EEADRL O=C(NN=Cc1cc([O-])ccc1[N+](=O)[O-])c1cc(Cl)ccc1[O-] ZINC000254836548 770385772 /nfs/dbraw/zinc/38/57/72/770385772.db2.gz QELXRXRMPYXHRI-UHFFFAOYSA-N -2 0 335.703 2.423 20 0 EEADRL Cc1nc(NCCOP(=O)([O-])[O-])nc(C)c1Cc1ccccc1 ZINC001168589641 790649759 /nfs/dbraw/zinc/64/97/59/790649759.db2.gz LCMACEUSMOPBDG-UHFFFAOYSA-N -2 0 337.316 2.205 20 0 EEADRL O=P([O-])([O-])OCCNc1cc(Br)cc(Cl)n1 ZINC001168592813 790827422 /nfs/dbraw/zinc/82/74/22/790827422.db2.gz ZAEVVSYTHBZDRU-UHFFFAOYSA-N -2 0 331.490 2.019 20 0 EEADRL C[C@H](C1CC1)N(C1CC1)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000906818182 784156947 /nfs/dbraw/zinc/15/69/47/784156947.db2.gz JCSBHFDVMSZHBZ-SECBINFHSA-N -2 0 325.386 2.042 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CC1CC(c2ccccc2)C1 ZINC000910182736 786514728 /nfs/dbraw/zinc/51/47/28/786514728.db2.gz JGAJXSVPTWFXHB-OMFOHFGMSA-N -2 0 345.395 2.347 20 0 EEADRL Cc1cc(C)c(/C=C/C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1C ZINC000910184050 786515446 /nfs/dbraw/zinc/51/54/46/786515446.db2.gz PXWBOVASFLIFOM-KJKYUDHTSA-N -2 0 345.395 2.401 20 0 EEADRL C[C@H](CCC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000910184686 786516437 /nfs/dbraw/zinc/51/64/37/786516437.db2.gz RNNUKVCLFSRMFR-BPLDGKMQSA-N -2 0 333.384 2.347 20 0 EEADRL C[C@H](CCC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1ccccc1 ZINC000910184689 786516582 /nfs/dbraw/zinc/51/65/82/786516582.db2.gz RNNUKVCLFSRMFR-YUELXQCFSA-N -2 0 333.384 2.347 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)Cc2cccc3ccccc32)C1 ZINC000910186278 786518365 /nfs/dbraw/zinc/51/83/65/786518365.db2.gz PNYJTBSPEBCCKV-GDBMZVCRSA-N -2 0 341.363 2.159 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCc1ccc(Cl)s1 ZINC000910190274 786522169 /nfs/dbraw/zinc/52/21/69/786522169.db2.gz VTXCNLFJDIWEJE-WCBMZHEXSA-N -2 0 345.804 2.111 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCc2ccc(Cl)s2)C1 ZINC000910190273 786522184 /nfs/dbraw/zinc/52/21/84/786522184.db2.gz VTXCNLFJDIWEJE-SCZZXKLOSA-N -2 0 345.804 2.111 20 0 EEADRL Cc1ccc(CCCC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])s1 ZINC000910190764 786523054 /nfs/dbraw/zinc/52/30/54/786523054.db2.gz DMTVZXZRZLJHHK-AAEUAGOBSA-N -2 0 339.413 2.156 20 0 EEADRL Cc1cccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1Cl ZINC000910192726 786524494 /nfs/dbraw/zinc/52/44/94/786524494.db2.gz TUZUVAZHERNPER-KOLCDFICSA-N -2 0 325.748 2.038 20 0 EEADRL O=C([O-])/C=C/c1ccc(Nc2ccc(C(=O)NCC(=O)[O-])cc2)cc1 ZINC001176597972 798514777 /nfs/dbraw/zinc/51/47/77/798514777.db2.gz ZPWCTSAUVAMUCT-XCVCLJGOSA-N -2 0 340.335 2.342 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)nc(C)n2)cc1C(=O)[O-] ZINC001184659631 802121639 /nfs/dbraw/zinc/12/16/39/802121639.db2.gz LNUHXVMVPCGTAE-UHFFFAOYSA-N -2 0 341.776 2.246 20 0 EEADRL COc1ncc(F)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184667254 802125555 /nfs/dbraw/zinc/12/55/55/802125555.db2.gz GKDZGPYXGPVKPZ-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL Cc1oc(CNC(=O)c2cc(F)c(F)c([O-])c2F)cc1C(=O)[O-] ZINC000322091363 970845822 /nfs/dbraw/zinc/84/58/22/970845822.db2.gz JWJPJHFXGQFNHZ-UHFFFAOYSA-N -2 0 329.230 2.339 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc3ncccc32)cn1 ZINC000322509621 970895855 /nfs/dbraw/zinc/89/58/55/970895855.db2.gz FFAIDUVDVAWZSX-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC)cc1 ZINC000322954140 970950051 /nfs/dbraw/zinc/95/00/51/970950051.db2.gz LTJLUBQWLHBKCF-UHFFFAOYSA-N -2 0 337.353 2.203 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)NC2(C(=O)[O-])CCCC2)n1 ZINC001593642103 953654082 /nfs/dbraw/zinc/65/40/82/953654082.db2.gz YDSOFHMSWAYTNK-UHFFFAOYSA-N -2 0 343.383 2.268 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ncccc2Cl)c(F)c1 ZINC000231768700 960205277 /nfs/dbraw/zinc/20/52/77/960205277.db2.gz QSDVOLWTQUCAGL-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccn2)c1C(=O)[O-] ZINC000235964830 960538112 /nfs/dbraw/zinc/53/81/12/960538112.db2.gz BAVCLCFHELJUEA-UHFFFAOYSA-N -2 0 330.749 2.444 20 0 EEADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cnc(Cl)cn2)c1 ZINC001187545542 960544471 /nfs/dbraw/zinc/54/44/71/960544471.db2.gz NGRFCHSFRIFQRK-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)cc1C ZINC001595024343 979127318 /nfs/dbraw/zinc/12/73/18/979127318.db2.gz VBWNRKADPYGAOU-SECBINFHSA-N -2 0 338.389 2.057 20 0 EEADRL CC[C@@H](C(=O)[O-])[S@](=O)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001594775475 981759296 /nfs/dbraw/zinc/75/92/96/981759296.db2.gz RZBJAGWEWBCQFF-DAOPMYJZSA-N -2 0 337.353 2.152 20 0 EEADRL CCOc1ccc([N-]S(=O)(=O)c2occc2C(=O)[O-])c(C)c1 ZINC001597125920 986834033 /nfs/dbraw/zinc/83/40/33/986834033.db2.gz KEHVXKSHBZQJRK-UHFFFAOYSA-N -2 0 325.342 2.486 20 0 EEADRL CCc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(OC)nc2)s1 ZINC001597444959 987815102 /nfs/dbraw/zinc/81/51/02/987815102.db2.gz GBGNHIJVHVGKQE-UHFFFAOYSA-N -2 0 342.398 2.213 20 0 EEADRL CCc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cnn(CC)c2)s1 ZINC001597445258 987815757 /nfs/dbraw/zinc/81/57/57/987815757.db2.gz JRZRLXZEPSSZLG-UHFFFAOYSA-N -2 0 329.403 2.026 20 0 EEADRL CSc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)ccn1 ZINC001599809736 988313003 /nfs/dbraw/zinc/31/30/03/988313003.db2.gz OFYKNHFARNURQM-UHFFFAOYSA-N -2 0 330.412 2.364 20 0 EEADRL CCn1cc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)n1 ZINC001597893241 989749979 /nfs/dbraw/zinc/74/99/79/989749979.db2.gz GRQSZKFKRDKTQY-UHFFFAOYSA-N -2 0 335.794 2.117 20 0 EEADRL COc1ccc2c(c1)[nH]nc2[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001599626393 994155023 /nfs/dbraw/zinc/15/50/23/994155023.db2.gz QXUKNFIHHYMQRO-UHFFFAOYSA-N -2 0 347.352 2.071 20 0 EEADRL C[C@@]1(C(=O)[N-]OCCCC(=O)[O-])CC(c2ccccc2Cl)=NO1 ZINC001593755024 996402045 /nfs/dbraw/zinc/40/20/45/996402045.db2.gz KKJZFZVEECOTSK-HNNXBMFYSA-N -2 0 340.763 2.136 20 0 EEADRL C[C@]1(C(=O)[O-])CCCN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])C1 ZINC001593775760 996472370 /nfs/dbraw/zinc/47/23/70/996472370.db2.gz AGSPADAYRUGDLS-KRWDZBQOSA-N -2 0 347.346 2.044 20 0 EEADRL COC[C@@]1(C(=O)[O-])CCCCN1C(=O)c1cccc(Cl)c1[O-] ZINC001599181212 996946373 /nfs/dbraw/zinc/94/63/73/996946373.db2.gz BNLPPPNANLNCJB-OAHLLOKOSA-N -2 0 327.764 2.142 20 0 EEADRL CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1 ZINC001599041082 999118347 /nfs/dbraw/zinc/11/83/47/999118347.db2.gz JQRZWGRXHTUZLM-SECBINFHSA-N -2 0 325.342 2.486 20 0 EEADRL CC(C)C[C@@H](CNC(=O)c1nn(-c2ccccc2)cc1[O-])C(=O)[O-] ZINC000424237445 240877309 /nfs/dbraw/zinc/87/73/09/240877309.db2.gz CVSVGZRSBBOIPP-LBPRGKRZSA-N -2 0 331.372 2.055 20 0 EEADRL CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c1C ZINC000266066410 248074057 /nfs/dbraw/zinc/07/40/57/248074057.db2.gz KAMWEEUEAAHZFT-UHFFFAOYSA-N -2 0 341.364 2.158 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(CC(C)C)nc1 ZINC000355885209 153187739 /nfs/dbraw/zinc/18/77/39/153187739.db2.gz WFILYEAZBAZISI-UHFFFAOYSA-N -2 0 339.373 2.076 20 0 EEADRL COc1ccc(O)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000345688980 161322772 /nfs/dbraw/zinc/32/27/72/161322772.db2.gz IQIHEVASFKOXJT-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1C ZINC000351991148 162016993 /nfs/dbraw/zinc/01/69/93/162016993.db2.gz QNFXTSIBDLLEMT-UHFFFAOYSA-N -2 0 348.380 2.452 20 0 EEADRL Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000360874478 164394598 /nfs/dbraw/zinc/39/45/98/164394598.db2.gz VGDWPYJZYZGFJO-UHFFFAOYSA-N -2 0 346.311 2.424 20 0 EEADRL Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)cn1 ZINC000278091398 274331974 /nfs/dbraw/zinc/33/19/74/274331974.db2.gz NMCRGJNTNMPYFS-UHFFFAOYSA-N -2 0 343.430 2.278 20 0 EEADRL CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000436882464 315008447 /nfs/dbraw/zinc/00/84/47/315008447.db2.gz ZGQPSVMXKYCEKT-UHFFFAOYSA-N -2 0 335.337 2.094 20 0 EEADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H](C(=O)[O-])C1(C)CCCCC1 ZINC000548028434 318346989 /nfs/dbraw/zinc/34/69/89/318346989.db2.gz ZCWHRVFHTIFEMK-DTWKUNHWSA-N -2 0 331.356 2.280 20 0 EEADRL CCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000054795659 463262549 /nfs/dbraw/zinc/26/25/49/463262549.db2.gz OYGKNVNSNDWDSN-UHFFFAOYSA-N -2 0 349.364 2.446 20 0 EEADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cncc(Cl)c2)ccc1F ZINC000339963055 465640231 /nfs/dbraw/zinc/64/02/31/465640231.db2.gz TYTLZDKOTCHDHX-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)[nH]n1 ZINC000340582168 466183643 /nfs/dbraw/zinc/18/36/43/466183643.db2.gz ZJXZHTZMNZXOLU-UHFFFAOYSA-N -2 0 349.290 2.236 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)o1 ZINC000350473009 466506327 /nfs/dbraw/zinc/50/63/27/466506327.db2.gz DMQCJEZSSYKNSA-UHFFFAOYSA-N -2 0 325.342 2.242 20 0 EEADRL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000350731051 466591169 /nfs/dbraw/zinc/59/11/69/466591169.db2.gz YAQRXSWTCUNRNS-UHFFFAOYSA-N -2 0 345.327 2.463 20 0 EEADRL CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000325072521 466652686 /nfs/dbraw/zinc/65/26/86/466652686.db2.gz CPXCRBXUJQERCB-UHFFFAOYSA-N -2 0 348.380 2.073 20 0 EEADRL CC(=O)c1ccsc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000427334280 467151469 /nfs/dbraw/zinc/15/14/69/467151469.db2.gz HXBAVLDOKIANMA-UHFFFAOYSA-N -2 0 339.394 2.379 20 0 EEADRL C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c2ccccc2O1 ZINC000433517009 467337594 /nfs/dbraw/zinc/33/75/94/467337594.db2.gz KBTKDQBUFUGBIS-JTQLQIEISA-N -2 0 349.364 2.067 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2sc(C)nc2C)cc1C(=O)[O-] ZINC000433826416 467356913 /nfs/dbraw/zinc/35/69/13/467356913.db2.gz OLJNQJGEPRWGRD-UHFFFAOYSA-N -2 0 342.398 2.268 20 0 EEADRL Cc1ccc(S(=O)(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])c(F)c1 ZINC000404963372 467479142 /nfs/dbraw/zinc/47/91/42/467479142.db2.gz FNHLGVIUSXPUDC-YPMHNXCESA-N -2 0 329.393 2.446 20 0 EEADRL O=C([O-])CC1(NC(=O)N=c2nc(-c3ccccc3)[n-]s2)CCC1 ZINC000649538677 470619326 /nfs/dbraw/zinc/61/93/26/470619326.db2.gz VXDNZBPEEWBCPY-UHFFFAOYSA-N -2 0 332.385 2.146 20 0 EEADRL Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)c1C ZINC000738355653 576341221 /nfs/dbraw/zinc/34/12/21/576341221.db2.gz KUUFPQTUIIJLNW-UHFFFAOYSA-N -2 0 337.401 2.002 20 0 EEADRL Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1cccc(Cl)c1[O-] ZINC000775744474 577444556 /nfs/dbraw/zinc/44/45/56/577444556.db2.gz MPOMGCAMKVHFBE-UHFFFAOYSA-N -2 0 346.774 2.341 20 0 EEADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])c1ccccc1 ZINC000776571217 577462785 /nfs/dbraw/zinc/46/27/85/577462785.db2.gz MEVCEMUURWMVTK-GXSJLCMTSA-N -2 0 339.335 2.115 20 0 EEADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2ccccc2O)c1 ZINC000756927713 577853328 /nfs/dbraw/zinc/85/33/28/577853328.db2.gz GTBGHLJQWJDOSF-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(NC(=O)[O-])c2)cc1 ZINC000738653550 578023000 /nfs/dbraw/zinc/02/30/00/578023000.db2.gz YEKYSHKNJHFGDA-UHFFFAOYSA-N -2 0 334.353 2.204 20 0 EEADRL O=C([O-])c1cc(-c2csc(NC(=O)c3ncccc3[O-])n2)c[nH]1 ZINC000740069622 578079580 /nfs/dbraw/zinc/07/95/80/578079580.db2.gz ZOLNZILVBZEJQI-UHFFFAOYSA-N -2 0 330.325 2.189 20 0 EEADRL CC(=O)c1ccc(S(=O)(=O)[N-]c2nc(C)c(C(=O)[O-])s2)cc1 ZINC000736195702 578186392 /nfs/dbraw/zinc/18/63/92/578186392.db2.gz GMJYYPRVNRILHB-UHFFFAOYSA-N -2 0 340.382 2.153 20 0 EEADRL CC[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)C(C)C ZINC000736892297 578228403 /nfs/dbraw/zinc/22/84/03/578228403.db2.gz NNLIDEHMKMBTCR-VIFPVBQESA-N -2 0 333.431 2.324 20 0 EEADRL CCc1cc2c(C[N@@H+]3CCC[C@@H](C(=O)[O-])C3)cc(=O)oc2cc1O ZINC000737251803 578246145 /nfs/dbraw/zinc/24/61/45/578246145.db2.gz GKPSYKRZIQCCNV-GFCCVEGCSA-N -2 0 331.368 2.358 20 0 EEADRL CCn1nccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000737311620 578249719 /nfs/dbraw/zinc/24/97/19/578249719.db2.gz BQEALDYFSOCWFS-UHFFFAOYSA-N -2 0 329.765 2.055 20 0 EEADRL CN1CCCc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)ccc21 ZINC000737517414 578261800 /nfs/dbraw/zinc/26/18/00/578261800.db2.gz IXIGIOXELHPKKJ-UHFFFAOYSA-N -2 0 336.369 2.161 20 0 EEADRL O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000390663355 597314122 /nfs/dbraw/zinc/31/41/22/597314122.db2.gz QIZFDOWWOFWADO-UHFFFAOYSA-N -2 0 336.325 2.023 20 0 EEADRL O=C([O-])c1cccc(CNC(=O)C[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000821369620 598181609 /nfs/dbraw/zinc/18/16/09/598181609.db2.gz VZXIFDFOCOVVQS-OAHLLOKOSA-N -2 0 327.336 2.260 20 0 EEADRL Cc1cc(C)c(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)c(C)c1 ZINC000219260554 600051053 /nfs/dbraw/zinc/05/10/53/600051053.db2.gz WZQDAEWUCABLAO-UHFFFAOYSA-N -2 0 340.426 2.496 20 0 EEADRL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)n[nH]1 ZINC000832974998 601241741 /nfs/dbraw/zinc/24/17/41/601241741.db2.gz SNINZJJCTLRIFW-UHFFFAOYSA-N -2 0 347.352 2.477 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1Cl ZINC000832419705 601831150 /nfs/dbraw/zinc/83/11/50/601831150.db2.gz ZRUYXPYMDVQZAI-UHFFFAOYSA-N -2 0 348.789 2.304 20 0 EEADRL C[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1ccc2ccccc2c1 ZINC000826009437 601843011 /nfs/dbraw/zinc/84/30/11/601843011.db2.gz XYBDNSJSYWUJHR-LBPRGKRZSA-N -2 0 349.408 2.254 20 0 EEADRL CSc1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])nc1 ZINC000832786164 601847961 /nfs/dbraw/zinc/84/79/61/601847961.db2.gz XYYLKODOEJQHEK-UHFFFAOYSA-N -2 0 342.373 2.442 20 0 EEADRL CC(C)c1cc([N-]S(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)n[nH]1 ZINC000322187606 601850935 /nfs/dbraw/zinc/85/09/35/601850935.db2.gz IQHYZWRIPVQCDG-YVMONPNESA-N -2 0 335.385 2.432 20 0 EEADRL CCCOc1ccc(S(=O)(=O)[N-]c2csnc2C(=O)[O-])cc1 ZINC000829538097 602155272 /nfs/dbraw/zinc/15/52/72/602155272.db2.gz ZKIZCRCPPIVORH-UHFFFAOYSA-N -2 0 342.398 2.431 20 0 EEADRL CC(C)Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)n[nH]1 ZINC000826909783 602211636 /nfs/dbraw/zinc/21/16/36/602211636.db2.gz LFTWPYVJBSCGKD-UHFFFAOYSA-N -2 0 329.403 2.169 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2nc3c(cccc3C(=O)[O-])[nH]2)cc1 ZINC000833751450 604625647 /nfs/dbraw/zinc/62/56/47/604625647.db2.gz ZDEUJUCENDYCQQ-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL CCC[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)C(C)C ZINC000833647283 605054613 /nfs/dbraw/zinc/05/46/13/605054613.db2.gz ACLWBAKPVULQRP-VIFPVBQESA-N -2 0 333.431 2.324 20 0 EEADRL CCC[C@H](C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)C(C)C ZINC000833648678 605055317 /nfs/dbraw/zinc/05/53/17/605055317.db2.gz WQTAOMZJBCZNAZ-ZDUSSCGKSA-N -2 0 327.402 2.262 20 0 EEADRL Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000863956884 1197936691 /nfs/dbraw/zinc/93/66/91/1197936691.db2.gz IACDFGGGNAYTQS-JTQLQIEISA-N -2 0 347.820 2.200 20 0 EEADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C ZINC000863962530 1197938344 /nfs/dbraw/zinc/93/83/44/1197938344.db2.gz NXIPOANHSCQQDK-KGLIPLIRSA-N -2 0 341.429 2.187 20 0 EEADRL CCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)cn1 ZINC000156291651 1208352957 /nfs/dbraw/zinc/35/29/57/1208352957.db2.gz XMOYAUMZNGTVCP-UHFFFAOYSA-N -2 0 343.792 2.364 20 0 EEADRL CCNC(=O)[N-][N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000049152367 1208522081 /nfs/dbraw/zinc/52/20/81/1208522081.db2.gz HCIVSELLMCOTRJ-UHFFFAOYSA-N -2 0 346.623 2.159 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncc(Cl)cc2O)ccc1F ZINC001186143197 1278968151 /nfs/dbraw/zinc/96/81/51/1278968151.db2.gz KXHSWVPKBZNJAK-UHFFFAOYSA-N -2 0 346.723 2.079 20 0 EEADRL Cc1coc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)n1 ZINC001193973588 1282800041 /nfs/dbraw/zinc/80/00/41/1282800041.db2.gz UWUORZFSKHVOMC-UHFFFAOYSA-N -2 0 334.712 2.275 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cccc2c1NC(=O)CC2 ZINC001198790502 1285337123 /nfs/dbraw/zinc/33/71/23/1285337123.db2.gz WTKYWEPVCFAJDA-UHFFFAOYSA-N -2 0 346.364 2.070 20 0 EEADRL Cc1cc(Nc2ccc3c(c2)S(=O)(=O)[N-]C3=O)cc(C)c1C(=O)[O-] ZINC001216312210 1297134524 /nfs/dbraw/zinc/13/45/24/1297134524.db2.gz GXJKYCIFAUDCSE-UHFFFAOYSA-N -2 0 346.364 2.177 20 0 EEADRL C[C@H](Oc1nc[n-]c(=O)c1I)C1=CC=C[CH]1 ZINC001228928633 1302529640 /nfs/dbraw/zinc/52/96/40/1302529640.db2.gz XRRXPLITYPOQSU-ZETCQYMHSA-N -2 0 329.117 2.255 20 0 EEADRL Cc1onc(N)c1S(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)[O-] ZINC000798246949 1304961437 /nfs/dbraw/zinc/96/14/37/1304961437.db2.gz KNSSZTYIYYZDTP-UHFFFAOYSA-N -2 0 347.352 2.217 20 0 EEADRL COC(=O)c1cc2ccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)nc2[nH]1 ZINC001242160027 1309622698 /nfs/dbraw/zinc/62/26/98/1309622698.db2.gz AMRLFABGFFEBGZ-UHFFFAOYSA-N -2 0 340.291 2.413 20 0 EEADRL Cc1cc(N2CCOCC2)ncc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242160461 1309622979 /nfs/dbraw/zinc/62/29/79/1309622979.db2.gz DXEKYFXJLWJHHO-UHFFFAOYSA-N -2 0 342.351 2.290 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc3c(c2)CS(=O)(=O)C3)c1 ZINC001242163679 1309625004 /nfs/dbraw/zinc/62/50/04/1309625004.db2.gz GCVBKKWDYPJELT-UHFFFAOYSA-N -2 0 332.333 2.178 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccnn(-c3ccccc3)c2=O)c1 ZINC001242163817 1309625453 /nfs/dbraw/zinc/62/54/53/1309625453.db2.gz MXSCECLOICNTNP-UHFFFAOYSA-N -2 0 336.303 2.296 20 0 EEADRL O=c1cc(-c2cccc(O)c2)[n-]n1-c1ccccc1S(=O)(=O)[O-] ZINC001245940330 1310191742 /nfs/dbraw/zinc/19/17/42/1310191742.db2.gz UKPJZJOVFYNVCW-UHFFFAOYSA-N -2 0 332.337 2.197 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccnc2OC(F)F)cc1 ZINC001260221999 1319836962 /nfs/dbraw/zinc/83/69/62/1319836962.db2.gz FYKGYGGYPKCQFQ-UHFFFAOYSA-N -2 0 344.295 2.182 20 0 EEADRL O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1c[n-]c2cccnc2c1=O ZINC001153860305 1316902670 /nfs/dbraw/zinc/90/26/70/1316902670.db2.gz LLJGXYFNEWYNHE-UHFFFAOYSA-N -2 0 347.334 2.067 20 0 EEADRL Cc1coc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)n1 ZINC001259213105 1319487500 /nfs/dbraw/zinc/48/75/00/1319487500.db2.gz VFWUBEWWALLLEX-UHFFFAOYSA-N -2 0 334.712 2.275 20 0 EEADRL Cn1ncc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)cc21 ZINC001260209089 1319831787 /nfs/dbraw/zinc/83/17/87/1319831787.db2.gz UEAHHRCWWYJXRP-UHFFFAOYSA-N -2 0 349.343 2.211 20 0 EEADRL O=C([O-])CCC(=O)NC[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001608704869 1351745252 /nfs/dbraw/zinc/74/52/52/1351745252.db2.gz DCLPVOYNNJHDCC-AWEZNQCLSA-N -2 0 329.352 2.064 20 0 EEADRL O=C([O-])c1cc(-c2csc(NC(=O)[C@@H]3CC[C@H](C(=O)[O-])C3)n2)c[nH]1 ZINC001608833114 1351774529 /nfs/dbraw/zinc/77/45/29/1351774529.db2.gz WFWZJDPJTIHJDO-SFYZADRCSA-N -2 0 349.368 2.276 20 0 EEADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)N[C@@H]2C[C@H]2C2CC2)c1F ZINC001608846780 1351777877 /nfs/dbraw/zinc/77/78/77/1351777877.db2.gz VEBAMISABYCLFB-WCBMZHEXSA-N -2 0 333.768 2.254 20 0 EEADRL O=C([O-])c1cccc(CC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1 ZINC001608929671 1351796708 /nfs/dbraw/zinc/79/67/08/1351796708.db2.gz GRDFRRNYXSRXDI-YUELXQCFSA-N -2 0 331.368 2.172 20 0 EEADRL O=C([O-])c1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])c1Cl ZINC001608934708 1351797905 /nfs/dbraw/zinc/79/79/05/1351797905.db2.gz FGEKALCVLJYCLS-FCMYFTRRSA-N -2 0 335.743 2.500 20 0 EEADRL CC(C)(C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)C1CCC1 ZINC001609647629 1352049518 /nfs/dbraw/zinc/04/95/18/1352049518.db2.gz AUKJLKKGZBHTBJ-UHFFFAOYSA-N -2 0 325.386 2.016 20 0 EEADRL C[C@@H](CC(=O)[O-])c1ccc(NS(=O)(=O)CC(C)(C)C(=O)[O-])cc1 ZINC001609735638 1352072355 /nfs/dbraw/zinc/07/23/55/1352072355.db2.gz MWEVJBQLQFJCRN-JTQLQIEISA-N -2 0 343.401 2.117 20 0 EEADRL C[C@H]1CCN(c2cc(C(F)(F)F)c(C(=O)[O-])cn2)C[C@H]1C(=O)[O-] ZINC001609862344 1352105678 /nfs/dbraw/zinc/10/56/78/1352105678.db2.gz LXLKFRLPRYYYTQ-IONNQARKSA-N -2 0 332.278 2.346 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2scc(C)c2C(=O)[O-])cn1 ZINC001610044923 1352148694 /nfs/dbraw/zinc/14/86/94/1352148694.db2.gz WNWAFSIMRASFJS-UHFFFAOYSA-N -2 0 342.398 2.349 20 0 EEADRL Cc1ccc(-n2[n-]c(C(=O)Nc3ccc(C(=O)[O-])s3)cc2=O)cc1 ZINC001610481758 1352230412 /nfs/dbraw/zinc/23/04/12/1352230412.db2.gz VDQRLFCESUSHJD-UHFFFAOYSA-N -2 0 343.364 2.486 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2cncc3ccccc32)cc1C(=O)[O-] ZINC001610563567 1352245665 /nfs/dbraw/zinc/24/56/65/1352245665.db2.gz MIMUKOFTQVJOQO-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2nnc(CCC(C)C)o2)cc1C(=O)[O-] ZINC001610587866 1352250020 /nfs/dbraw/zinc/25/00/20/1352250020.db2.gz XCZUPPPHZMPJCY-UHFFFAOYSA-N -2 0 343.361 2.059 20 0 EEADRL O=C([O-])C1(CNC(=O)c2nn(-c3cccc(F)c3)cc2[O-])CCCC1 ZINC001610689190 1352260296 /nfs/dbraw/zinc/26/02/96/1352260296.db2.gz GAPMFJFROADGNX-UHFFFAOYSA-N -2 0 347.346 2.092 20 0 EEADRL O=C([O-])CC1(NC(=O)c2nn(-c3ccccc3F)cc2[O-])CCCC1 ZINC001610759384 1352269994 /nfs/dbraw/zinc/26/99/94/1352269994.db2.gz RMCUKNJPEOAKOD-UHFFFAOYSA-N -2 0 347.346 2.234 20 0 EEADRL CN(C(=O)c1cc(Br)c(F)cc1[O-])C(C)(C)C(=O)[O-] ZINC001598073885 1349935273 /nfs/dbraw/zinc/93/52/73/1349935273.db2.gz YZMFJPMAXLSFFO-UHFFFAOYSA-N -2 0 334.141 2.229 20 0 EEADRL Cc1nn(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2C)c1C(=O)[O-] ZINC001600220954 1349996070 /nfs/dbraw/zinc/99/60/70/1349996070.db2.gz QURYFFDZKYOBID-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL Cc1ccc([C@H](C)NC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1 ZINC001600368653 1350031407 /nfs/dbraw/zinc/03/14/07/1350031407.db2.gz PPOGUXIQQYLRMN-UBHSHLNASA-N -2 0 334.372 2.015 20 0 EEADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)N[C@@H](CC3CC3)C(=O)[O-])n2)c1 ZINC001600426997 1350048682 /nfs/dbraw/zinc/04/86/82/1350048682.db2.gz QWGDMLIHQHBKTQ-LBPRGKRZSA-N -2 0 347.346 2.009 20 0 EEADRL Cc1ccc2nc([N-]S(=O)(=O)c3cncc(C(=O)[O-])c3)sc2c1 ZINC001600503942 1350068465 /nfs/dbraw/zinc/06/84/65/1350068465.db2.gz LIXNTUPNJXHBGU-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL Cc1ccccc1[C@H](C)CC(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-] ZINC001600568547 1350085136 /nfs/dbraw/zinc/08/51/36/1350085136.db2.gz MUBRNNRRTLDSOT-UPJWGTAASA-N -2 0 341.429 2.044 20 0 EEADRL Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)c2)no1 ZINC001600678704 1350115122 /nfs/dbraw/zinc/11/51/22/1350115122.db2.gz UAINHGRPTDXRKQ-UHFFFAOYSA-N -2 0 349.324 2.137 20 0 EEADRL Cc1oc(C(=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001600825719 1350145509 /nfs/dbraw/zinc/14/55/09/1350145509.db2.gz POQXXZZHWPUBDE-QWHCGFSZSA-N -2 0 329.308 2.329 20 0 EEADRL O=C([O-])c1ncoc1CNC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001601552044 1350306764 /nfs/dbraw/zinc/30/67/64/1350306764.db2.gz HIUVHKJIYQCCGX-UHFFFAOYSA-N -2 0 330.218 2.027 20 0 EEADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccccc2[O-])[C@@H]2CCCC[C@@H]12 ZINC001601830528 1350375709 /nfs/dbraw/zinc/37/57/09/1350375709.db2.gz OGPCNIRLLXYIEP-YNEHKIRRSA-N -2 0 339.413 2.046 20 0 EEADRL O=C([O-])[C@H]1CCc2sc([N-]S(=O)(=O)c3cccs3)nc2C1 ZINC001601840165 1350377392 /nfs/dbraw/zinc/37/73/92/1350377392.db2.gz KRZVXGXQHHJMKB-ZETCQYMHSA-N -2 0 344.439 2.195 20 0 EEADRL O=C([O-])C[C@H]1CCCN1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001601954892 1350404799 /nfs/dbraw/zinc/40/47/99/1350404799.db2.gz DALAUUAFJRYNIY-GFCCVEGCSA-N -2 0 349.774 2.311 20 0 EEADRL O=C([O-])CCCc1nnc(NC(=O)c2cc3c[nH]ccc-3n2)s1 ZINC001602003675 1350416056 /nfs/dbraw/zinc/41/60/56/1350416056.db2.gz USOOJBVGZLQILQ-UHFFFAOYSA-N -2 0 331.357 2.074 20 0 EEADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)n1 ZINC001602140545 1350449041 /nfs/dbraw/zinc/44/90/41/1350449041.db2.gz HDWJWYMTJFJOOI-UHFFFAOYSA-N -2 0 344.751 2.302 20 0 EEADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2nnc(C3CC3)s2)c1 ZINC001602273977 1350483392 /nfs/dbraw/zinc/48/33/92/1350483392.db2.gz FZRHIYDQRLPLTG-UHFFFAOYSA-N -2 0 343.361 2.054 20 0 EEADRL O=C([O-])c1cncc(CSc2nc(=O)cc([O-])n2C2CCCC2)c1 ZINC001602540548 1350542303 /nfs/dbraw/zinc/54/23/03/1350542303.db2.gz ZAVYXLVMSXLRLY-UHFFFAOYSA-N -2 0 347.396 2.450 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H](C(F)F)C2CCCCC2)c1 ZINC001602557064 1350546045 /nfs/dbraw/zinc/54/60/45/1350546045.db2.gz PLAJUVBUTKYLAH-LLVKDONJSA-N -2 0 337.344 2.470 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]C(=O)[C@H](F)CC2CCCCC2)c1 ZINC001602557872 1350545876 /nfs/dbraw/zinc/54/58/76/1350545876.db2.gz AWMYZNFZKLBOIO-LLVKDONJSA-N -2 0 347.364 2.091 20 0 EEADRL O=Cc1ccc(-c2ccc(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)c([O-])c2)o1 ZINC001602665534 1350569103 /nfs/dbraw/zinc/56/91/03/1350569103.db2.gz HGXMQTJMFVQRHA-XYPYZODXSA-N -2 0 329.308 2.058 20 0 EEADRL C[C@@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])[C@@H](C(=O)[O-])C1 ZINC001604748921 1350996389 /nfs/dbraw/zinc/99/63/89/1350996389.db2.gz JJOSUWMPTKWARW-ZWNOBZJWSA-N -2 0 347.346 2.042 20 0 EEADRL CCC(CC)(CNC(=O)N1CCc2c(cccc2C(=O)[O-])C1)C(=O)[O-] ZINC001604997314 1351049077 /nfs/dbraw/zinc/04/90/77/1351049077.db2.gz BVXRDHRBJHQURL-UHFFFAOYSA-N -2 0 348.399 2.344 20 0 EEADRL CCC(CC)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001605014647 1351054873 /nfs/dbraw/zinc/05/48/73/1351054873.db2.gz RPBLXGFEUBQSLF-QMMMGPOBSA-N -2 0 333.431 2.324 20 0 EEADRL CCC[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001605206933 1351103216 /nfs/dbraw/zinc/10/32/16/1351103216.db2.gz QMHZGFNBQTZOTP-LLVKDONJSA-N -2 0 327.402 2.157 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2nc3c(cccc3C(=O)[O-])[nH]2)cc1 ZINC001607290014 1351465574 /nfs/dbraw/zinc/46/55/74/1351465574.db2.gz SSFKUQHOXYNCFT-UHFFFAOYSA-N -2 0 347.352 2.071 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2noc3c2CCCC3)ccc1C(=O)[O-] ZINC001607707795 1351543253 /nfs/dbraw/zinc/54/32/53/1351543253.db2.gz FYHXCRZIXFGJTG-UHFFFAOYSA-N -2 0 336.369 2.361 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)c(C)n1 ZINC001607810659 1351563788 /nfs/dbraw/zinc/56/37/88/1351563788.db2.gz FJHMICKLHWAPNZ-UHFFFAOYSA-N -2 0 338.360 2.265 20 0 EEADRL Cc1nn(C)c([N-]S(=O)(=O)c2c(C)cccc2Cl)c1C(=O)[O-] ZINC001607853415 1351571932 /nfs/dbraw/zinc/57/19/32/1351571932.db2.gz FPSVCWDKJFDWIX-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL O=C([O-])c1nc(CNC(=O)CC2(C(=O)[O-])CCCC2)ccc1Cl ZINC001608290152 1351664639 /nfs/dbraw/zinc/66/46/39/1351664639.db2.gz NPGGPACIWKANLE-UHFFFAOYSA-N -2 0 340.763 2.085 20 0 EEADRL CCc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cn1 ZINC001187548321 1368249854 /nfs/dbraw/zinc/24/98/54/1368249854.db2.gz PTGWXUNNDKNTEJ-UHFFFAOYSA-N -2 0 341.776 2.191 20 0 EEADRL CCc1cc2c(nc(Cl)nc2NCCOP(=O)([O-])[O-])s1 ZINC001168585692 790513572 /nfs/dbraw/zinc/51/35/72/790513572.db2.gz CDPLKCGRUHCRAN-UHFFFAOYSA-N -2 0 337.725 2.428 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cccc(C3CCC3)c2)C1 ZINC000910183497 786515769 /nfs/dbraw/zinc/51/57/69/786515769.db2.gz LMFOWGJNAZJWPI-HUUCEWRRSA-N -2 0 331.368 2.344 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)Cc2cccc3ccccc32)C1 ZINC000910186281 786518813 /nfs/dbraw/zinc/51/88/13/786518813.db2.gz PNYJTBSPEBCCKV-ZBFHGGJFSA-N -2 0 341.363 2.159 20 0 EEADRL CC[C@H](CC1CCCC1)C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910188250 786520568 /nfs/dbraw/zinc/52/05/68/786520568.db2.gz KJDHTBYUANMWGZ-RDBSUJKOSA-N -2 0 325.405 2.369 20 0 EEADRL C[C@H](C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000910192132 786523686 /nfs/dbraw/zinc/52/36/86/786523686.db2.gz NDBRKRLHWMFRRJ-GAFUQQFSSA-N -2 0 339.775 2.220 20 0 EEADRL O=C([O-])[C@H](C[C@@H]1CCCOC1)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000910235580 786558325 /nfs/dbraw/zinc/55/83/25/786558325.db2.gz IWUORUJSPXQFRU-CABZTGNLSA-N -2 0 327.764 2.045 20 0 EEADRL O=C(CC(c1ccccc1)c1ccccc1)NCCOP(=O)([O-])[O-] ZINC001143702844 788774275 /nfs/dbraw/zinc/77/42/75/788774275.db2.gz SFJSQVFRRCUUFS-UHFFFAOYSA-N -2 0 349.323 2.434 20 0 EEADRL Nc1ccc(F)cc1S(=O)(=O)[N-]c1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203331798 806597776 /nfs/dbraw/zinc/59/77/76/806597776.db2.gz JEEJTCCYARLKPE-UHFFFAOYSA-N -2 0 346.286 2.185 20 0 EEADRL CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n1 ZINC001184670190 802104604 /nfs/dbraw/zinc/10/46/04/802104604.db2.gz OALFXBYINCEWPF-UHFFFAOYSA-N -2 0 334.353 2.092 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2ccnn2CC2CC2)cc1C(=O)[O-] ZINC001184664742 802124390 /nfs/dbraw/zinc/12/43/90/802124390.db2.gz SYQLKVHIKTYOJN-UHFFFAOYSA-N -2 0 335.385 2.101 20 0 EEADRL COC(=O)[C@H](CC1CCCCC1)Nc1ccc(P(=O)([O-])[O-])cc1 ZINC001169162769 803641611 /nfs/dbraw/zinc/64/16/11/803641611.db2.gz ABQHSCMUTIAHCJ-HNNXBMFYSA-N -2 0 341.344 2.414 20 0 EEADRL O=C([O-])CCCCNC(=O)c1cc(Br)cc(F)c1[O-] ZINC001595043435 951434550 /nfs/dbraw/zinc/43/45/50/951434550.db2.gz DXPVHSIURCMJQZ-UHFFFAOYSA-N -2 0 334.141 2.279 20 0 EEADRL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccsc1C(=O)[O-] ZINC000314197577 963723612 /nfs/dbraw/zinc/72/36/12/963723612.db2.gz HRJUPXUTZQQHRG-UHFFFAOYSA-N -2 0 342.354 2.464 20 0 EEADRL COC(=O)c1cccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC000314225453 963728153 /nfs/dbraw/zinc/72/81/53/963728153.db2.gz FMSKOSLCLUOMRM-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)N([C@H](C)C(=O)[O-])C3CC3)n2)c1 ZINC001605282087 973076237 /nfs/dbraw/zinc/07/62/37/973076237.db2.gz HTPOPGAIXHSUDG-SNVBAGLBSA-N -2 0 347.346 2.103 20 0 EEADRL COc1cccc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])c1F ZINC001604874999 974125271 /nfs/dbraw/zinc/12/52/71/974125271.db2.gz QSVIBMNOBVQVJY-UHFFFAOYSA-N -2 0 339.344 2.262 20 0 EEADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)CC2CCCCC2)cc1 ZINC000863953970 979676822 /nfs/dbraw/zinc/67/68/22/979676822.db2.gz GQEORVISCJAVRN-UHFFFAOYSA-N -2 0 325.386 2.025 20 0 EEADRL CC/C=C(/C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001595508327 981295908 /nfs/dbraw/zinc/29/59/08/981295908.db2.gz TXKDPTZWGBGFSN-YWEYNIOJSA-N -2 0 331.777 2.199 20 0 EEADRL CCCCc1nnc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)o1 ZINC001595799571 982614662 /nfs/dbraw/zinc/61/46/62/982614662.db2.gz YXVPNBMXRCTXLC-UHFFFAOYSA-N -2 0 343.336 2.050 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)c(F)c1 ZINC000926547316 982904075 /nfs/dbraw/zinc/90/40/75/982904075.db2.gz CBDCVOLGOOYSGN-SNVBAGLBSA-N -2 0 341.282 2.143 20 0 EEADRL CCCS(=O)(=O)[N-][C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001595980466 983221136 /nfs/dbraw/zinc/22/11/36/983221136.db2.gz YBOLYJHGBXILKM-JTQLQIEISA-N -2 0 325.308 2.318 20 0 EEADRL CCCc1cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])n(C)n1 ZINC001596057982 983363877 /nfs/dbraw/zinc/36/38/77/983363877.db2.gz BCUIUZHEIZJRNO-UHFFFAOYSA-N -2 0 341.364 2.011 20 0 EEADRL CC(=O)Nc1ccc(S[C@H](C)C(=O)[N-]OCCCC(=O)[O-])cc1 ZINC001589204141 985657189 /nfs/dbraw/zinc/65/71/89/985657189.db2.gz JWOGDMLBEHSJDH-SNVBAGLBSA-N -2 0 340.401 2.038 20 0 EEADRL CC(C)(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])c1cccc2ccccc21 ZINC001589575102 987352672 /nfs/dbraw/zinc/35/26/72/987352672.db2.gz YWIYRQLPBJPYOY-UHFFFAOYSA-N -2 0 349.408 2.038 20 0 EEADRL C[C@@H]1CC(C)(C)C[C@](C)([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC001599847138 988952464 /nfs/dbraw/zinc/95/24/64/988952464.db2.gz HYLLEVQXPXHIAR-YMTOWFKASA-N -2 0 330.406 2.256 20 0 EEADRL C[C@@H](c1nc(C(=O)[O-])co1)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC001593725512 996279057 /nfs/dbraw/zinc/27/90/57/996279057.db2.gz QVWOFFUDMPJGEV-ZETCQYMHSA-N -2 0 334.357 2.276 20 0 EEADRL COc1ccc(C(=O)[O-])c2c1CN(C(=O)[C@H](C(=O)[O-])C(C)(C)C)CC2 ZINC001599497074 997038130 /nfs/dbraw/zinc/03/81/30/997038130.db2.gz SMIZUMSDJLFQCP-CQSZACIVSA-N -2 0 349.383 2.025 20 0 EEADRL COc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001599371677 998420379 /nfs/dbraw/zinc/42/03/79/998420379.db2.gz UJOAYAOPHBQKJT-SNVBAGLBSA-N -2 0 336.344 2.112 20 0 EEADRL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cccc(CCC(=O)[O-])c2)C1 ZINC001594209923 998814084 /nfs/dbraw/zinc/81/40/84/998814084.db2.gz KLAHXTGBQUEMCO-WCQYABFASA-N -2 0 334.372 2.278 20 0 EEADRL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC001594210599 998817758 /nfs/dbraw/zinc/81/77/58/998817758.db2.gz SGOHUNXYIJYCPB-YUMQZZPRSA-N -2 0 342.298 2.238 20 0 EEADRL C[C@@H]1CCc2nc([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)sc2C1 ZINC001594451268 999650202 /nfs/dbraw/zinc/65/02/02/999650202.db2.gz YMMDWUPKZPSGSZ-SSDOTTSWSA-N -2 0 342.398 2.360 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c(O)c1 ZINC000442845260 539957733 /nfs/dbraw/zinc/95/77/33/539957733.db2.gz XGCRZGBMAFFKOR-UHFFFAOYSA-N -2 0 343.382 2.270 20 0 EEADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000013344247 304089087 /nfs/dbraw/zinc/08/90/87/304089087.db2.gz MOTCTUDDEHOEGB-UHFFFAOYSA-N -2 0 327.308 2.393 20 0 EEADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000074983164 159072018 /nfs/dbraw/zinc/07/20/18/159072018.db2.gz OCQYRAOCBHLHAX-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)cn1 ZINC000342461127 161067194 /nfs/dbraw/zinc/06/71/94/161067194.db2.gz WMYZZBRDXCUOFX-LLVKDONJSA-N -2 0 337.401 2.282 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)c[nH]1 ZINC000346482594 161376040 /nfs/dbraw/zinc/37/60/40/161376040.db2.gz NGQITKFFQNSPOU-UHFFFAOYSA-N -2 0 333.325 2.169 20 0 EEADRL COc1cc(O)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000355808973 163308039 /nfs/dbraw/zinc/30/80/39/163308039.db2.gz DIJHIXMRTYROBK-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)Cc1ccon1 ZINC000275013918 269084221 /nfs/dbraw/zinc/08/42/21/269084221.db2.gz NQJQTKCLELOJRA-UHFFFAOYSA-N -2 0 340.357 2.102 20 0 EEADRL CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000436942392 315015049 /nfs/dbraw/zinc/01/50/49/315015049.db2.gz VNEYUVABFSWRPT-UHFFFAOYSA-N -2 0 349.364 2.023 20 0 EEADRL CCc1ncc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccccc2)s1 ZINC000574665844 320046538 /nfs/dbraw/zinc/04/65/38/320046538.db2.gz YSVCONCOFGKOTQ-LLVKDONJSA-N -2 0 340.426 2.200 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cnc2N)cc1C(=O)[O-] ZINC000339072385 465064952 /nfs/dbraw/zinc/06/49/52/465064952.db2.gz PHLYIKVKVNIGHA-UHFFFAOYSA-N -2 0 341.776 2.125 20 0 EEADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)c1C ZINC000590695989 468310587 /nfs/dbraw/zinc/31/05/87/468310587.db2.gz OCSZNOPTCKVBHI-UHFFFAOYSA-N -2 0 347.396 2.470 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c2n[nH]cc21 ZINC000063635578 462659781 /nfs/dbraw/zinc/65/97/81/462659781.db2.gz XTIFLXHXDXVESL-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CCC(C)C)n1 ZINC000164571021 463626444 /nfs/dbraw/zinc/62/64/44/463626444.db2.gz GIILYZOARMHJQA-UHFFFAOYSA-N -2 0 341.389 2.330 20 0 EEADRL COc1ccsc1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC000348472344 465623271 /nfs/dbraw/zinc/62/32/71/465623271.db2.gz FRKWSSQNDPFUQW-UHFFFAOYSA-N -2 0 331.346 2.395 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)c(F)c1 ZINC000348886711 465860935 /nfs/dbraw/zinc/86/09/35/465860935.db2.gz LLIIPZIKYBBVRW-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL COc1ccc(C)cc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000353682170 466063355 /nfs/dbraw/zinc/06/33/55/466063355.db2.gz YHAUJQUEOFRGML-UHFFFAOYSA-N -2 0 340.339 2.314 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nccnc2c1 ZINC000321121505 466619109 /nfs/dbraw/zinc/61/91/09/466619109.db2.gz QGFJYQBTCUOWNB-UHFFFAOYSA-N -2 0 333.325 2.030 20 0 EEADRL Cc1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)ccc1C(=O)[O-] ZINC000323545168 466639568 /nfs/dbraw/zinc/63/95/68/466639568.db2.gz PISVDCIAZJGIRD-UHFFFAOYSA-N -2 0 335.337 2.223 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1O ZINC000390939059 467417761 /nfs/dbraw/zinc/41/77/61/467417761.db2.gz PPZNKKQCJJTNLM-UHFFFAOYSA-N -2 0 347.270 2.309 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])cn1 ZINC000430974743 467485253 /nfs/dbraw/zinc/48/52/53/467485253.db2.gz DCLMFWSOIOOPHR-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL CCCc1n[n-]c(=NC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)s1 ZINC000649537080 470619820 /nfs/dbraw/zinc/61/98/20/470619820.db2.gz SFSITCCHMQJELC-INIZCTEOSA-N -2 0 348.428 2.077 20 0 EEADRL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000677185428 486389257 /nfs/dbraw/zinc/38/92/57/486389257.db2.gz QXUBOYUYJSWROS-UHFFFAOYSA-N -2 0 337.401 2.044 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2c(C)noc2C2CC2)cc1C(=O)[O-] ZINC000126915890 490659477 /nfs/dbraw/zinc/65/94/77/490659477.db2.gz LAAWXLVTHCDTTN-UHFFFAOYSA-N -2 0 339.373 2.181 20 0 EEADRL Cc1ccsc1S(=O)(=O)[N-]c1cccc(OCC(=O)[O-])c1 ZINC000738331727 578009836 /nfs/dbraw/zinc/00/98/36/578009836.db2.gz SFHQFIGWPIGLGS-UHFFFAOYSA-N -2 0 327.383 2.321 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)sc1C(=O)[O-] ZINC000738363043 578010835 /nfs/dbraw/zinc/01/08/35/578010835.db2.gz BBPXLBXDEVQDHM-UHFFFAOYSA-N -2 0 338.410 2.439 20 0 EEADRL Cc1ccc(-n2[n-]c(C(=O)N(CCC(=O)[O-])CC(C)C)cc2=O)cc1 ZINC000738495754 578017220 /nfs/dbraw/zinc/01/72/20/578017220.db2.gz XFQQJTXMBKTUCM-UHFFFAOYSA-N -2 0 345.399 2.047 20 0 EEADRL O=C([O-])c1c(F)cccc1NC(=O)C[C@@]1(C(=O)[O-])CCSC1 ZINC000739216082 576172743 /nfs/dbraw/zinc/17/27/43/576172743.db2.gz IHKZJPJLJXYBRM-AWEZNQCLSA-N -2 0 327.333 2.060 20 0 EEADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000768281728 577553176 /nfs/dbraw/zinc/55/31/76/577553176.db2.gz GCYNYAVOPLPLOO-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C)c1C1CC1 ZINC000769871531 577586242 /nfs/dbraw/zinc/58/62/42/577586242.db2.gz ZDXUUFJJORBLIA-UHFFFAOYSA-N -2 0 349.412 2.359 20 0 EEADRL CCc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C2CC2)cc1C(=O)[O-] ZINC000769873349 577586270 /nfs/dbraw/zinc/58/62/70/577586270.db2.gz ZSTHPLSSBTYQCV-UHFFFAOYSA-N -2 0 349.412 2.359 20 0 EEADRL Cc1ccc(NS(=O)(=O)Cc2ccccc2C(=O)[O-])c(C(=O)[O-])c1 ZINC000738632768 578022301 /nfs/dbraw/zinc/02/23/01/578022301.db2.gz LYWBMIVWLNIORE-UHFFFAOYSA-N -2 0 349.364 2.333 20 0 EEADRL O=C([O-])c1n[nH]c2ccc(NC(=O)c3n[n-]c4ccccc4c3=O)cc21 ZINC000739481310 578054942 /nfs/dbraw/zinc/05/49/42/578054942.db2.gz VXWLKGNRZGATPW-UHFFFAOYSA-N -2 0 349.306 2.162 20 0 EEADRL CC[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)C(C)C ZINC000736892223 578228371 /nfs/dbraw/zinc/22/83/71/578228371.db2.gz LHTVNPAKTOJZLZ-CYBMUJFWSA-N -2 0 341.429 2.403 20 0 EEADRL N#Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)ccc1F ZINC000320255107 599849792 /nfs/dbraw/zinc/84/97/92/599849792.db2.gz ITZXLLYWYPGGFN-UHFFFAOYSA-N -2 0 338.291 2.335 20 0 EEADRL C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)C1CCCC1 ZINC000826009030 601141971 /nfs/dbraw/zinc/14/19/71/601141971.db2.gz PICQFQLCIGDOCB-SNVBAGLBSA-N -2 0 325.386 2.016 20 0 EEADRL CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000829373011 601201748 /nfs/dbraw/zinc/20/17/48/601201748.db2.gz BOFIYGDSKYSXBL-UHFFFAOYSA-N -2 0 340.405 2.209 20 0 EEADRL O=C([O-])[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000833183841 601235181 /nfs/dbraw/zinc/23/51/81/601235181.db2.gz KVTKTOHHJLCODQ-NXEZZACHSA-N -2 0 345.804 2.036 20 0 EEADRL CC(C)Cc1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)s1 ZINC000318955331 601348286 /nfs/dbraw/zinc/34/82/86/601348286.db2.gz VITXMWNQLPWOLR-UHFFFAOYSA-N -2 0 341.414 2.236 20 0 EEADRL CC(C)c1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)no1 ZINC000827112452 601361895 /nfs/dbraw/zinc/36/18/95/601361895.db2.gz JCJBMGXHNRSFGH-UHFFFAOYSA-N -2 0 328.321 2.436 20 0 EEADRL CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)no1 ZINC000830224958 601362311 /nfs/dbraw/zinc/36/23/11/601362311.db2.gz YQRJLXBAQQCMTK-UHFFFAOYSA-N -2 0 332.284 2.014 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C)c(F)cc2F)c(C(=O)[O-])[nH]1 ZINC000832898456 601830616 /nfs/dbraw/zinc/83/06/16/601830616.db2.gz KYCHKIQHCBWWAO-UHFFFAOYSA-N -2 0 330.312 2.409 20 0 EEADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cccc2n[nH]cc21 ZINC000833293840 601860323 /nfs/dbraw/zinc/86/03/23/601860323.db2.gz AYWLICSVRXJFHS-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL CC(C)Cn1cc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])cn1 ZINC000833494964 604744747 /nfs/dbraw/zinc/74/47/47/604744747.db2.gz SLRJYSDAECMBQV-UHFFFAOYSA-N -2 0 341.364 2.177 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])c(F)c2)s1 ZINC000832954494 604879786 /nfs/dbraw/zinc/87/97/86/604879786.db2.gz HQTICEFIGINMQH-UHFFFAOYSA-N -2 0 343.357 2.013 20 0 EEADRL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833660550 605185410 /nfs/dbraw/zinc/18/54/10/605185410.db2.gz NRGRYHOEXLPNSD-UHFFFAOYSA-N -2 0 329.305 2.316 20 0 EEADRL CCS(=O)(CC)=NS(=O)(=O)[N-]c1cc(F)cc(Cl)c1[O-] ZINC000872364484 1198157010 /nfs/dbraw/zinc/15/70/10/1198157010.db2.gz MFOQHJIPOQVRDC-UHFFFAOYSA-N -2 0 344.817 2.349 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cc1 ZINC000391102283 1253545374 /nfs/dbraw/zinc/54/53/74/1253545374.db2.gz UZWGUURMRRLPIU-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1noc2cccnc21 ZINC001185869282 1278830882 /nfs/dbraw/zinc/83/08/82/1278830882.db2.gz SMCBSNQEUSJTDA-UHFFFAOYSA-N -2 0 333.325 2.030 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n(C(C)C)n1 ZINC001186143697 1278968662 /nfs/dbraw/zinc/96/86/62/1278968662.db2.gz QRNOAMXBIKHCKJ-UHFFFAOYSA-N -2 0 341.364 2.411 20 0 EEADRL O=C(NC1CC2(C1)CC(F)(F)C2)c1ccccc1OP(=O)([O-])[O-] ZINC001189899711 1280570950 /nfs/dbraw/zinc/57/09/50/1280570950.db2.gz TYFWHGIVJJJPAB-UHFFFAOYSA-N -2 0 347.254 2.466 20 0 EEADRL Cn1cnc2c1cccc2[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198790546 1285336270 /nfs/dbraw/zinc/33/62/70/1285336270.db2.gz YLFQRBJGDXBHQT-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL COC(=O)c1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc2[nH]ccc21 ZINC001242160419 1309622316 /nfs/dbraw/zinc/62/23/16/1309622316.db2.gz KEZXBYXDVTVIOP-UHFFFAOYSA-N -2 0 340.291 2.413 20 0 EEADRL Cc1c(C)c(-n2ccnc2)nnc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242160819 1309622866 /nfs/dbraw/zinc/62/28/66/1309622866.db2.gz RCDWOHLQYDHSCH-UHFFFAOYSA-N -2 0 338.323 2.343 20 0 EEADRL Cc1cc(-c2nccn2C)c(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nn1 ZINC001242160817 1309623043 /nfs/dbraw/zinc/62/30/43/1309623043.db2.gz QYHYWTWKDDPUGY-UHFFFAOYSA-N -2 0 338.323 2.249 20 0 EEADRL COC(=O)c1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc2c1OCO2 ZINC001242163200 1309623691 /nfs/dbraw/zinc/62/36/91/1309623691.db2.gz QBXXYPJKYCFCPQ-UHFFFAOYSA-N -2 0 344.275 2.265 20 0 EEADRL CCOC([O-])=NC(=S)N=c1[nH]cccc1-c1ccc(C(=O)[O-])nc1 ZINC001242338365 1309650947 /nfs/dbraw/zinc/65/09/47/1309650947.db2.gz QLSAFBSBKJVOIP-UHFFFAOYSA-N -2 0 346.368 2.285 20 0 EEADRL O=C([O-])c1cc(Cl)cc(-c2ccc3c(c2)S(=O)(=O)[N-]C3=O)c1 ZINC001243326888 1309794277 /nfs/dbraw/zinc/79/42/77/1309794277.db2.gz YWXVRLBGMJDODP-UHFFFAOYSA-N -2 0 337.740 2.137 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cncc(OC(F)F)c2)cc1 ZINC001260223303 1319837430 /nfs/dbraw/zinc/83/74/30/1319837430.db2.gz MCLUDOWZAUVBBH-UHFFFAOYSA-N -2 0 344.295 2.182 20 0 EEADRL Cc1c(/C=C\c2cn(CC(=O)[O-])nn2)nc2ccccc2c1C(=O)[O-] ZINC001253704285 1317917813 /nfs/dbraw/zinc/91/78/13/1317917813.db2.gz XAUZNYROIVUDGK-SREVYHEPSA-N -2 0 338.323 2.088 20 0 EEADRL CC(C)(C)OC(=O)N1C[C@@H](n2cc(C3=CC=C[CH]3)nn2)C[C@H]1C(=O)[O-] ZINC001254086361 1317998579 /nfs/dbraw/zinc/99/85/79/1317998579.db2.gz PNJRLAWEIXMXLX-JSGCOSHPSA-N -2 0 345.379 2.071 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cscn2)c(F)cc1Cl ZINC001259213567 1319489083 /nfs/dbraw/zinc/48/90/83/1319489083.db2.gz ATNLZBDVSRUYHV-UHFFFAOYSA-N -2 0 336.753 2.435 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2ccc3[n-]c(=S)sc3c2)cn1 ZINC001259826366 1319697438 /nfs/dbraw/zinc/69/74/38/1319697438.db2.gz MGIPXOSLIOLTIR-UHFFFAOYSA-N -2 0 326.428 2.119 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)nc2)c1 ZINC001260184402 1319818314 /nfs/dbraw/zinc/81/83/14/1319818314.db2.gz JJKQUPYGKWLLGZ-UHFFFAOYSA-N -2 0 348.380 2.369 20 0 EEADRL Cc1ncc(Cl)cc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260392730 1319881960 /nfs/dbraw/zinc/88/19/60/1319881960.db2.gz PNKSHXGEVWJXQD-UHFFFAOYSA-N -2 0 342.760 2.248 20 0 EEADRL CC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260393331 1319883028 /nfs/dbraw/zinc/88/30/28/1319883028.db2.gz FPVUQONMIXEVOT-UHFFFAOYSA-N -2 0 341.366 2.155 20 0 EEADRL COc1ccc(C(=O)[O-])cc1Nc1nc[n-]c(=O)c1Br ZINC001210254307 1325215842 /nfs/dbraw/zinc/21/58/42/1325215842.db2.gz LYHYFIQNPMNOGC-UHFFFAOYSA-N -2 0 340.133 2.395 20 0 EEADRL Cc1ccc(Cl)cc1NC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC001600426344 1350048339 /nfs/dbraw/zinc/04/83/39/1350048339.db2.gz RKXKBOFCINZMRU-CABZTGNLSA-N -2 0 340.763 2.430 20 0 EEADRL O=C([O-])c1cc(-c2csc(NC(=O)C3(C(=O)[O-])CCC3)n2)c[nH]1 ZINC001608832679 1351774392 /nfs/dbraw/zinc/77/43/92/1351774392.db2.gz ZOCILAVUBZWQBV-UHFFFAOYSA-N -2 0 335.341 2.030 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3ccncc32)cn1 ZINC001608913670 1351792988 /nfs/dbraw/zinc/79/29/88/1351792988.db2.gz RQGMNTFUTZRLQM-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL O=C([O-])c1ccc2c(c1)CCN(C(=O)[C@]1(C(=O)[O-])CC=CCC1)C2 ZINC001608920699 1351794898 /nfs/dbraw/zinc/79/48/98/1351794898.db2.gz IDFGMWZXKRMEHM-SFHVURJKSA-N -2 0 329.352 2.081 20 0 EEADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]c2n[nH]c3ccccc32)c1 ZINC001608933008 1351797544 /nfs/dbraw/zinc/79/75/44/1351797544.db2.gz PYYUOZLLGRLABI-UHFFFAOYSA-N -2 0 331.353 2.203 20 0 EEADRL Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1csnc1C(=O)[O-] ZINC001610517831 1352237264 /nfs/dbraw/zinc/23/72/64/1352237264.db2.gz WTPLKLQQYPYWOS-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL Cc1cccc(NS(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1C(=O)[O-] ZINC001610523976 1352238570 /nfs/dbraw/zinc/23/85/70/1352238570.db2.gz MZHHWUAMVUCUNI-CMPLNLGQSA-N -2 0 341.385 2.078 20 0 EEADRL O=C([O-])c1ccsc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC001610857184 1352286386 /nfs/dbraw/zinc/28/63/86/1352286386.db2.gz QHAWWIYRNIQGRJ-UHFFFAOYSA-N -2 0 325.367 2.277 20 0 EEADRL Cc1cc(C=O)c([O-])c(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)c1 ZINC001600186047 1349988230 /nfs/dbraw/zinc/98/82/30/1349988230.db2.gz OPXWYTZPXASWHG-UHFFFAOYSA-N -2 0 339.307 2.340 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cc3ccccn3n2)ccc1C(=O)[O-] ZINC001600301076 1350014727 /nfs/dbraw/zinc/01/47/27/1350014727.db2.gz JSBAPOWEULVCML-UHFFFAOYSA-N -2 0 331.353 2.142 20 0 EEADRL Cc1ccccc1[C@H](C)CC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-] ZINC001600568541 1350085367 /nfs/dbraw/zinc/08/53/67/1350085367.db2.gz MUBRNNRRTLDSOT-AGIUHOORSA-N -2 0 341.429 2.044 20 0 EEADRL Cc1csc(NC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1C(=O)[O-] ZINC001600664279 1350112723 /nfs/dbraw/zinc/11/27/23/1350112723.db2.gz WNIGAIYBZXIQNS-VXNVDRBHSA-N -2 0 326.374 2.329 20 0 EEADRL Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001600764671 1350130918 /nfs/dbraw/zinc/13/09/18/1350130918.db2.gz HDGJRUUIYNCSGT-UHFFFAOYSA-N -2 0 347.352 2.273 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1C(=O)[O-] ZINC001600857115 1350153880 /nfs/dbraw/zinc/15/38/80/1350153880.db2.gz UQQANGJFYPHTAP-UHFFFAOYSA-N -2 0 333.325 2.030 20 0 EEADRL O=C([O-])[C@@H]1CSCCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC001601856512 1350381768 /nfs/dbraw/zinc/38/17/68/1350381768.db2.gz PLKZNTWMRVGYGS-ZETCQYMHSA-N -2 0 333.768 2.075 20 0 EEADRL O=C([O-])CC1(CNS(=O)(=O)c2cc([O-])cc(F)c2)CCCCC1 ZINC001601921880 1350398356 /nfs/dbraw/zinc/39/83/56/1350398356.db2.gz FSZUNQGGLSXLBX-UHFFFAOYSA-N -2 0 345.392 2.235 20 0 EEADRL O=C([O-])CSc1ccc(OS(=O)(=O)c2cn[n-]c2Cl)cc1 ZINC001602103973 1350438893 /nfs/dbraw/zinc/43/88/93/1350438893.db2.gz XKGHSTPCSNGPQI-UHFFFAOYSA-N -2 0 348.789 2.008 20 0 EEADRL O=C([O-])c1ccc2[nH]c(CNC(=O)c3cc(F)c([O-])c(F)c3)nc2c1 ZINC001602406217 1350512235 /nfs/dbraw/zinc/51/22/35/1350512235.db2.gz GSHXATDQJDQZRF-UHFFFAOYSA-N -2 0 347.277 2.175 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2ccc([C@H]3CCOC3)cc2)c1 ZINC001602557730 1350546180 /nfs/dbraw/zinc/54/61/80/1350546180.db2.gz CATJSJRHPCEHPK-NSHDSACASA-N -2 0 337.353 2.283 20 0 EEADRL CC(C)N(C)c1ccccc1[N-]S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001603871412 1350787809 /nfs/dbraw/zinc/78/78/09/1350787809.db2.gz MNPXWTZPNBOQLV-UHFFFAOYSA-N -2 0 349.412 2.425 20 0 EEADRL CC(C)c1ccc(N2CC(=O)C(C(=O)[N-]OCCCC(=O)[O-])=N2)cc1 ZINC001603993511 1350823834 /nfs/dbraw/zinc/82/38/34/1350823834.db2.gz ILAFTTJRYNYSCI-UHFFFAOYSA-N -2 0 347.371 2.228 20 0 EEADRL C[C@H](/C=C\C(=O)[O-])NC(=O)c1cc(Br)cc(F)c1[O-] ZINC001604058749 1350842866 /nfs/dbraw/zinc/84/28/66/1350842866.db2.gz FXGHPHGNTJIOFC-VROIDLATSA-N -2 0 332.125 2.053 20 0 EEADRL CC1(CC(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CCCC1 ZINC001604569577 1350961974 /nfs/dbraw/zinc/96/19/74/1350961974.db2.gz XYIZQQFTQHXMQI-UHFFFAOYSA-N -2 0 339.413 2.301 20 0 EEADRL CC[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001604984008 1351045503 /nfs/dbraw/zinc/04/55/03/1351045503.db2.gz WIGWHXPSJKVDEM-JTQLQIEISA-N -2 0 331.390 2.163 20 0 EEADRL CC[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001605025312 1351058507 /nfs/dbraw/zinc/05/85/07/1351058507.db2.gz UMVHZTXOLSSYIV-GFCCVEGCSA-N -2 0 338.385 2.063 20 0 EEADRL COC(=O)c1c[nH]c(C(=O)[O-])c1NC(=O)c1cccc(Cl)c1[O-] ZINC001606532113 1351317906 /nfs/dbraw/zinc/31/79/06/1351317906.db2.gz HSTDUVITIOKBKK-UHFFFAOYSA-N -2 0 338.703 2.111 20 0 EEADRL CO[C@H](CC(C)C)CS(=O)(=O)Nc1c(F)cccc1C(=O)[O-] ZINC001606669301 1351339596 /nfs/dbraw/zinc/33/95/96/1351339596.db2.gz WQTXQCUJPULHFL-SNVBAGLBSA-N -2 0 333.381 2.327 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)cn1 ZINC001607289744 1351465735 /nfs/dbraw/zinc/46/57/35/1351465735.db2.gz QJDGLELIFZXNHX-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)nc(C)n1 ZINC001607696709 1351541599 /nfs/dbraw/zinc/54/15/99/1351541599.db2.gz BNWWLMYPPGNZQP-UHFFFAOYSA-N -2 0 347.396 2.010 20 0 EEADRL Cc1csc(NC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1C(=O)[O-] ZINC001607931911 1351588283 /nfs/dbraw/zinc/58/82/83/1351588283.db2.gz BFAPURDYNXTAAE-CBAPKCEASA-N -2 0 326.374 2.329 20 0 EEADRL Cc1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c(C2CC2)n1 ZINC001607983808 1351597939 /nfs/dbraw/zinc/59/79/39/1351597939.db2.gz FUTNHJADROYQIU-UHFFFAOYSA-N -2 0 339.398 2.223 20 0 EEADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)C[C@H]2C=CCCC2)c1 ZINC001608291390 1351664726 /nfs/dbraw/zinc/66/47/26/1351664726.db2.gz BMJINLHOXVELBH-LBPRGKRZSA-N -2 0 337.397 2.077 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncc(F)s2)ccc1Cl ZINC001188273015 1368292616 /nfs/dbraw/zinc/29/26/16/1368292616.db2.gz VOELXJPCWYFSFL-UHFFFAOYSA-N -2 0 336.753 2.435 20 0 EEADRL COc1cncc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC001188279725 1368293318 /nfs/dbraw/zinc/29/33/18/1368293318.db2.gz MVEFCESXQBKLPN-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL CCOC(=O)Cc1coc2ccc(NCCOP(=O)([O-])[O-])cc12 ZINC001168591083 790766615 /nfs/dbraw/zinc/76/66/15/790766615.db2.gz HIXISPFGPAXFKF-UHFFFAOYSA-N -2 0 343.272 2.060 20 0 EEADRL O=C([O-])C(F)(F)C[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000905998704 783629712 /nfs/dbraw/zinc/62/97/12/783629712.db2.gz AAJNHRXXGXPEEQ-UHFFFAOYSA-N -2 0 348.154 2.133 20 0 EEADRL O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)c3cc(F)c([O-])c(Cl)c3)[C@@H]2C1 ZINC000907958404 784987411 /nfs/dbraw/zinc/98/74/11/784987411.db2.gz WBCPMRARHFOAFT-PPSWKLDYSA-N -2 0 327.739 2.414 20 0 EEADRL Cc1ccsc1CCCC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910181979 786514756 /nfs/dbraw/zinc/51/47/56/786514756.db2.gz GBAGLBKYXCEAFE-NWDGAFQWSA-N -2 0 339.413 2.156 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)CC2CC(c3ccccc3)C2)C1 ZINC000910182738 786515595 /nfs/dbraw/zinc/51/55/95/786515595.db2.gz JGAJXSVPTWFXHB-UHDQLFAASA-N -2 0 345.395 2.347 20 0 EEADRL CCc1ccc([C@H](C)C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1 ZINC000910187886 786520261 /nfs/dbraw/zinc/52/02/61/786520261.db2.gz HGUOMIBVAKLJAC-NILFDRSVSA-N -2 0 333.384 2.129 20 0 EEADRL C[C@H](CC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1cccc(F)c1 ZINC000910188534 786521406 /nfs/dbraw/zinc/52/14/06/786521406.db2.gz KYXXQWGUNVRCHN-QKCSRTOESA-N -2 0 337.347 2.096 20 0 EEADRL C[C@H](CC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1ccccc1F ZINC000910188812 786521481 /nfs/dbraw/zinc/52/14/81/786521481.db2.gz NGOIDNPVQQKHEC-JTNHKYCSSA-N -2 0 337.347 2.096 20 0 EEADRL Cc1cc(C)cc(CCC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1 ZINC000910192992 786524245 /nfs/dbraw/zinc/52/42/45/786524245.db2.gz ZRMCCKOXOYVIPD-LSDHHAIUSA-N -2 0 333.384 2.012 20 0 EEADRL Cc1cc(C)cc(CCC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1 ZINC000910192990 786524643 /nfs/dbraw/zinc/52/46/43/786524643.db2.gz ZRMCCKOXOYVIPD-GJZGRUSLSA-N -2 0 333.384 2.012 20 0 EEADRL CCc1cnn2cc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)cnc12 ZINC001176236720 798389851 /nfs/dbraw/zinc/38/98/51/798389851.db2.gz CODSNXLVQNAKJF-UHFFFAOYSA-N -2 0 326.312 2.432 20 0 EEADRL CCOC(=O)c1nc(C)oc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176239609 798390940 /nfs/dbraw/zinc/39/09/40/798390940.db2.gz SDUGDPQWTIJAFE-UHFFFAOYSA-N -2 0 334.284 2.300 20 0 EEADRL O=C([O-])c1cc(Nc2ccc3c(c2)CNC(=O)N3)cc(C(=O)[O-])c1 ZINC001176244283 798393078 /nfs/dbraw/zinc/39/30/78/798393078.db2.gz JMCHHUVXHJJBRQ-UHFFFAOYSA-N -2 0 327.296 2.462 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cnc3ccccn23)cc1C(=O)[O-] ZINC001184663555 802123593 /nfs/dbraw/zinc/12/35/93/802123593.db2.gz JJKWTKKNEGTZDA-UHFFFAOYSA-N -2 0 331.353 2.142 20 0 EEADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C(C)=O)cc1 ZINC000325797186 971244168 /nfs/dbraw/zinc/24/41/68/971244168.db2.gz DEXNHKVDVDBFIB-UHFFFAOYSA-N -2 0 349.364 2.397 20 0 EEADRL CC[C@H](C(=O)[O-])N(C)C(=O)c1cc(Br)c(F)cc1[O-] ZINC001589435942 954687687 /nfs/dbraw/zinc/68/76/87/954687687.db2.gz RLTZJSMWTJPOON-SECBINFHSA-N -2 0 334.141 2.229 20 0 EEADRL CC[C@@H](CNC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])C(=O)[O-] ZINC001589547082 955204896 /nfs/dbraw/zinc/20/48/96/955204896.db2.gz WUUULRRBEATQBJ-JTQLQIEISA-N -2 0 331.324 2.305 20 0 EEADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000863952480 955926050 /nfs/dbraw/zinc/92/60/50/955926050.db2.gz XYCMQMCBPHNQHK-UHFFFAOYSA-N -2 0 339.822 2.097 20 0 EEADRL CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC001589206801 956671075 /nfs/dbraw/zinc/67/10/75/956671075.db2.gz NFLXCCGKCVFSJT-UHFFFAOYSA-N -2 0 344.371 2.253 20 0 EEADRL Cc1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)n1 ZINC000035650900 957215380 /nfs/dbraw/zinc/21/53/80/957215380.db2.gz FXGSSOMJMRJVME-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2ccn(C(C)(C)C(=O)[O-])n2)sc1C ZINC001594330347 958211856 /nfs/dbraw/zinc/21/18/56/958211856.db2.gz GJVFMQBQNQPHAP-UHFFFAOYSA-N -2 0 343.430 2.182 20 0 EEADRL CC(F)(F)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259213203 960668038 /nfs/dbraw/zinc/66/80/38/960668038.db2.gz XILPHGJUWIWGFV-UHFFFAOYSA-N -2 0 331.699 2.111 20 0 EEADRL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c1F ZINC000398166606 973077172 /nfs/dbraw/zinc/07/71/72/973077172.db2.gz GZSGOCDQRORCQC-QMMMGPOBSA-N -2 0 341.282 2.129 20 0 EEADRL O=C([O-])CC[C@H]1C[C@H](C(=O)Nc2ccc3[n-]c(=S)oc3c2)CO1 ZINC001606112083 973329760 /nfs/dbraw/zinc/32/97/60/973329760.db2.gz SPJPYMCEVSLIRL-WPRPVWTQSA-N -2 0 336.369 2.325 20 0 EEADRL CCCC(C)(C)C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001595537739 981388356 /nfs/dbraw/zinc/38/83/56/981388356.db2.gz AEIXYMFSDUXIIO-UHFFFAOYSA-N -2 0 327.402 2.157 20 0 EEADRL CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001595632237 981852002 /nfs/dbraw/zinc/85/20/02/981852002.db2.gz UINIAPSYRKFYCV-LLVKDONJSA-N -2 0 327.402 2.406 20 0 EEADRL CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001594964483 982718668 /nfs/dbraw/zinc/71/86/68/982718668.db2.gz JJRHRIZRXSOBQM-SSDOTTSWSA-N -2 0 328.390 2.096 20 0 EEADRL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)C1 ZINC001589605804 987451372 /nfs/dbraw/zinc/45/13/72/987451372.db2.gz PUTIRDGEYUFFDZ-BPOWMSRESA-N -2 0 335.356 2.340 20 0 EEADRL CC(C)(C)CCCC(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001589771853 988124972 /nfs/dbraw/zinc/12/49/72/988124972.db2.gz LFAUHTPGGDHDEJ-UHFFFAOYSA-N -2 0 342.417 2.374 20 0 EEADRL CN(C(=O)c1cc(F)cc(F)c1[O-])c1ccc(OCC(=O)[O-])cc1 ZINC001598077324 990382826 /nfs/dbraw/zinc/38/28/26/990382826.db2.gz IQBRPJMLMMKXHJ-UHFFFAOYSA-N -2 0 337.278 2.410 20 0 EEADRL CC(C)(NC(=O)c1ccc2[n-]c(=S)oc2c1)c1nocc1C(=O)[O-] ZINC001590863971 990756031 /nfs/dbraw/zinc/75/60/31/990756031.db2.gz KNCWKAOJEQLYHZ-UHFFFAOYSA-N -2 0 347.352 2.468 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cc(C3CC3)ccn2)cc1C(=O)[O-] ZINC001599616725 994024333 /nfs/dbraw/zinc/02/43/33/994024333.db2.gz MVWWZPUDAOXJLR-UHFFFAOYSA-N -2 0 348.380 2.467 20 0 EEADRL CO[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])[C@@H](C(=O)[O-])C1 ZINC001599120676 997732426 /nfs/dbraw/zinc/73/24/26/997732426.db2.gz PUAAGPHOVCYVSO-GZMMTYOYSA-N -2 0 348.182 2.403 20 0 EEADRL C[C@@]1([N-]C(=O)C(F)(F)F)CCN(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC001594051676 997746917 /nfs/dbraw/zinc/74/69/17/997746917.db2.gz JMBBCTBGXONRMZ-CQSZACIVSA-N -2 0 348.296 2.167 20 0 EEADRL CC(C)CN(CC(=O)[O-])C(=O)c1cc(Br)cc(F)c1[O-] ZINC001603804641 1119299425 /nfs/dbraw/zinc/29/94/25/1119299425.db2.gz DDDPOMQAZOPHPH-UHFFFAOYSA-N -2 0 348.168 2.477 20 0 EEADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000274984059 539703094 /nfs/dbraw/zinc/70/30/94/539703094.db2.gz JYYORAJMOPICOM-NGZCFLSTSA-N -2 0 339.335 2.319 20 0 EEADRL COc1cncc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])c1 ZINC000337134414 160603105 /nfs/dbraw/zinc/60/31/05/160603105.db2.gz BJAJUKGALLIKKO-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL COc1ccc(O)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000342782793 161090227 /nfs/dbraw/zinc/09/02/27/161090227.db2.gz SPCKFPWXJGKPJT-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)cc1F ZINC000436994192 315021384 /nfs/dbraw/zinc/02/13/84/315021384.db2.gz KXKHJVDQRCYQBT-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000489607658 315787635 /nfs/dbraw/zinc/78/76/35/315787635.db2.gz GNULAQVDJOVCQI-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL O=C([O-])[C@@H]1CCN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000566225154 319261765 /nfs/dbraw/zinc/26/17/65/319261765.db2.gz WNPJZKQVWJFAEH-ZCFIWIBFSA-N -2 0 348.580 2.355 20 0 EEADRL COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000064479140 462705669 /nfs/dbraw/zinc/70/56/69/462705669.db2.gz LYZSJNPKVNBKPZ-UHFFFAOYSA-N -2 0 332.337 2.066 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)cccc1C(=O)[O-] ZINC000343843680 465559322 /nfs/dbraw/zinc/55/93/22/465559322.db2.gz GMLKBMRCVRPHJQ-UHFFFAOYSA-N -3 0 339.325 2.094 20 0 EEADRL CC(C)(C)c1ncc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cn1 ZINC000357104572 465777506 /nfs/dbraw/zinc/77/75/06/465777506.db2.gz MBEGASNLBWCYED-UHFFFAOYSA-N -2 0 349.412 2.202 20 0 EEADRL Cc1ccc(S(=O)(=O)NCCc2ccccc2C(=O)[O-])c(F)c1 ZINC000404991513 467478713 /nfs/dbraw/zinc/47/87/13/467478713.db2.gz CIBNUXTUSZVGPO-UHFFFAOYSA-N -2 0 337.372 2.353 20 0 EEADRL O=C([O-])CCCNC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000666555134 471444882 /nfs/dbraw/zinc/44/48/82/471444882.db2.gz ITPNJWKUEMWORG-UHFFFAOYSA-N -2 0 334.372 2.139 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)c1C(=O)[O-] ZINC000738746914 577186302 /nfs/dbraw/zinc/18/63/02/577186302.db2.gz NOWQGWFOWUXOOW-UHFFFAOYSA-N -2 0 333.369 2.161 20 0 EEADRL Cc1nn(C)c([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])c1C ZINC000738917518 578031016 /nfs/dbraw/zinc/03/10/16/578031016.db2.gz AWMYTRJYUPSRNH-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)/C=C\c2ccccc2Cl)n1 ZINC000739919668 578073381 /nfs/dbraw/zinc/07/33/81/578073381.db2.gz FWGYWDVGBCMYGS-VURMDHGXSA-N -2 0 341.776 2.034 20 0 EEADRL O=C([O-])c1ccc(OCCNC(=O)c2c([O-])cc(F)cc2F)cc1 ZINC000740165030 578083538 /nfs/dbraw/zinc/08/35/38/578083538.db2.gz KNEYPBGGDCUVJG-UHFFFAOYSA-N -2 0 337.278 2.177 20 0 EEADRL CC(C)(C)CCCC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000736251982 578190200 /nfs/dbraw/zinc/19/02/00/578190200.db2.gz WJYJJSRHRXIPFC-UHFFFAOYSA-N -2 0 327.402 2.406 20 0 EEADRL CCc1csc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])n1 ZINC000737273928 578247484 /nfs/dbraw/zinc/24/74/84/578247484.db2.gz DLRPDSDVBHGKHA-UHFFFAOYSA-N -2 0 330.387 2.414 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cnn(C(C)C)c2)c1C(=O)[O-] ZINC000314961159 600099018 /nfs/dbraw/zinc/09/90/18/600099018.db2.gz DRGNNJZUUBTTCU-UHFFFAOYSA-N -2 0 327.362 2.173 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)o1 ZINC000320144951 600103023 /nfs/dbraw/zinc/10/30/23/600103023.db2.gz WCLCQYGMOMWXBF-UHFFFAOYSA-N -2 0 336.369 2.379 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)cc1C(=O)[O-] ZINC000833029427 601232203 /nfs/dbraw/zinc/23/22/03/601232203.db2.gz IUODFNLRRGMGRU-UHFFFAOYSA-N -2 0 347.352 2.273 20 0 EEADRL O=C([O-])[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2Cl)C1 ZINC000833184698 601236112 /nfs/dbraw/zinc/23/61/12/601236112.db2.gz SHMGCWDRWGGKPX-VHSXEESVSA-N -2 0 345.804 2.036 20 0 EEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)nc1 ZINC000317843786 601321852 /nfs/dbraw/zinc/32/18/52/601321852.db2.gz GGJJJHICWCKCCH-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL CSc1ccncc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000832790869 601577323 /nfs/dbraw/zinc/57/73/23/601577323.db2.gz YXIDONGZZQBLLR-UHFFFAOYSA-N -2 0 338.410 2.231 20 0 EEADRL Cc1cc(F)c(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)cc1F ZINC000832887142 601885115 /nfs/dbraw/zinc/88/51/15/601885115.db2.gz BPVHICGASFWJAG-UHFFFAOYSA-N -2 0 348.352 2.158 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n[nH]c1C1CC1 ZINC000832853121 602102867 /nfs/dbraw/zinc/10/28/67/602102867.db2.gz DCUGDFJTHAJTIZ-UHFFFAOYSA-N -2 0 339.348 2.234 20 0 EEADRL Cc1noc2ncc(S(=O)(=O)[N-]c3cc(C(=O)[O-])cs3)cc12 ZINC000833023656 602117682 /nfs/dbraw/zinc/11/76/82/602117682.db2.gz JPMGLPLXHRMQGC-UHFFFAOYSA-N -2 0 339.354 2.092 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)Nc2c(F)cccc2C(=O)[O-])s1 ZINC000833323562 602301952 /nfs/dbraw/zinc/30/19/52/602301952.db2.gz NQMJBVPTSNHXIW-UHFFFAOYSA-N -2 0 345.329 2.084 20 0 EEADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(F)ccc1O ZINC000831945491 602308308 /nfs/dbraw/zinc/30/83/08/602308308.db2.gz ITYWXWFQSZWTNO-UHFFFAOYSA-N -2 0 347.345 2.100 20 0 EEADRL O=C([O-])CCc1csc([N-]S(=O)(=O)c2ccc(F)cc2F)n1 ZINC000833244260 604626099 /nfs/dbraw/zinc/62/60/99/604626099.db2.gz XULZBIUYOYWOHY-UHFFFAOYSA-N -2 0 348.352 2.239 20 0 EEADRL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)cc1F ZINC000833663236 604688142 /nfs/dbraw/zinc/68/81/42/604688142.db2.gz SRJRWYXLLPJYPD-UHFFFAOYSA-N -2 0 340.332 2.118 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cnn(C(C)C)c2)cc(C(=O)[O-])c1F ZINC000133915771 1202251555 /nfs/dbraw/zinc/25/15/55/1202251555.db2.gz BHIOSFIPXDGYBM-UHFFFAOYSA-N -2 0 341.364 2.411 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ncc2ccccc2n1 ZINC001185871746 1278809178 /nfs/dbraw/zinc/80/91/78/1278809178.db2.gz WVNUDZAQSSMDLO-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2cn(C)nc21 ZINC001185906448 1278841393 /nfs/dbraw/zinc/84/13/93/1278841393.db2.gz WZXKQDHYEWHDQB-UHFFFAOYSA-N -2 0 345.380 2.381 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc3occc3c2)ccc1F ZINC001186150359 1278974019 /nfs/dbraw/zinc/97/40/19/1278974019.db2.gz CWJKMNJYXNAIFZ-UHFFFAOYSA-N -2 0 336.300 2.466 20 0 EEADRL Cn1cnc2cccc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)c21 ZINC001186190701 1278984001 /nfs/dbraw/zinc/98/40/01/1278984001.db2.gz PWWNGBYGNMWJFA-UHFFFAOYSA-N -2 0 349.343 2.211 20 0 EEADRL C[C@]1(F)CCN(C(=O)c2ccccc2OP(=O)([O-])[O-])C[C@@H]1F ZINC001189870308 1280529429 /nfs/dbraw/zinc/52/94/29/1280529429.db2.gz DUTPDDZJUFEGIL-AAEUAGOBSA-N -2 0 335.243 2.070 20 0 EEADRL O=[P@@]([O-])(O)CCCCNC(=S)NCc1cccc(Cl)c1 ZINC001195998840 1283844377 /nfs/dbraw/zinc/84/43/77/1283844377.db2.gz QZONIUKFGADOJQ-UHFFFAOYSA-N -2 0 336.781 2.262 20 0 EEADRL COc1cccc(-c2noc(-c3cc(S(=O)(=O)[O-])ccc3[O-])n2)c1 ZINC001215454281 1296909290 /nfs/dbraw/zinc/90/92/90/1296909290.db2.gz RGUYMUUGNIOMPN-UHFFFAOYSA-N -2 0 348.336 2.365 20 0 EEADRL CCOC(=O)c1nnsc1[N-]c1c(F)cc(C(=O)[O-])cc1F ZINC001215612313 1296949532 /nfs/dbraw/zinc/94/95/32/1296949532.db2.gz YTIAIJFMLGOMNA-UHFFFAOYSA-N -2 0 329.284 2.435 20 0 EEADRL CCOC(=O)[C@@H]1CCC[C@H]1Oc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234338947 1304884825 /nfs/dbraw/zinc/88/48/25/1304884825.db2.gz MKLBPAFHNISFRF-CHWSQXEVSA-N -2 0 330.273 2.269 20 0 EEADRL O=C([O-])c1ccc(-c2ccc3c(c2)C(=O)[N-]S3(=O)=O)cc1Cl ZINC001241348320 1309471858 /nfs/dbraw/zinc/47/18/58/1309471858.db2.gz MSUHWRKDKLKFNG-UHFFFAOYSA-N -2 0 337.740 2.137 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccn(-c3ccncc3)c2=O)c1 ZINC001242163325 1309623938 /nfs/dbraw/zinc/62/39/38/1309623938.db2.gz UVPBZRJMQHJMIM-UHFFFAOYSA-N -2 0 336.303 2.296 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cn(CC3CCC3)c(=O)cn2)c1 ZINC001242163721 1309625185 /nfs/dbraw/zinc/62/51/85/1309625185.db2.gz IDNLDQABMNCPCN-UHFFFAOYSA-N -2 0 328.324 2.107 20 0 EEADRL CC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cnc1C ZINC001260222777 1319836663 /nfs/dbraw/zinc/83/66/63/1319836663.db2.gz DKFVDIGJKBSTCZ-UHFFFAOYSA-N -2 0 334.353 2.092 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3ccccn3)no2)cc1 ZINC001260222338 1319837000 /nfs/dbraw/zinc/83/70/00/1319837000.db2.gz WVPBFAZNQCGCDX-UHFFFAOYSA-N -2 0 345.336 2.236 20 0 EEADRL O=P([O-])([O-])OCCNc1cc(F)ccc1-c1ccc(Cl)nn1 ZINC001157795864 1318867307 /nfs/dbraw/zinc/86/73/07/1318867307.db2.gz OSCDBEHMSWTOGM-UHFFFAOYSA-N -2 0 347.670 2.457 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nccs2)c(F)cc1Cl ZINC001259212369 1319488000 /nfs/dbraw/zinc/48/80/00/1319488000.db2.gz NFPJCDIGTROBMA-UHFFFAOYSA-N -2 0 336.753 2.435 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ncnc3sccc32)cc1 ZINC001260220986 1319835520 /nfs/dbraw/zinc/83/55/20/1319835520.db2.gz AUQCCECOOFBNHO-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL Cc1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[O-])cc2)c1C ZINC001260997850 1321997156 /nfs/dbraw/zinc/99/71/56/1321997156.db2.gz IAXFVXCXMLMGMX-UHFFFAOYSA-N -2 0 341.410 2.351 20 0 EEADRL CCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001605254947 1351117328 /nfs/dbraw/zinc/11/73/28/1351117328.db2.gz JWIWFCGKRRMVER-VIFPVBQESA-N -2 0 348.446 2.253 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)Nc2ccc(C(F)F)cc2)C1 ZINC001608617090 1351726554 /nfs/dbraw/zinc/72/65/54/1351726554.db2.gz WGMIRLHPYNOEHL-ONGXEEELSA-N -2 0 342.298 2.406 20 0 EEADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(C2CCC2)c1 ZINC001609639102 1352048005 /nfs/dbraw/zinc/04/80/05/1352048005.db2.gz QWLQRXVQCUJKNO-QWRGUYRKSA-N -2 0 339.413 2.123 20 0 EEADRL CCCC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001609950502 1352127646 /nfs/dbraw/zinc/12/76/46/1352127646.db2.gz JNRMYYVVPZXHDR-UHFFFAOYSA-N -2 0 333.431 2.468 20 0 EEADRL CCOc1ncc(C)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001610048161 1352149474 /nfs/dbraw/zinc/14/94/74/1352149474.db2.gz KNPXOLMBMUVWIT-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL Cc1c(NS(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cccc1C(=O)[O-] ZINC001610427285 1352221150 /nfs/dbraw/zinc/22/11/50/1352221150.db2.gz QXCHPDUOTAUSPH-AAEUAGOBSA-N -2 0 341.385 2.078 20 0 EEADRL Cc1cccc(NS(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1C(=O)[O-] ZINC001610523977 1352238487 /nfs/dbraw/zinc/23/84/87/1352238487.db2.gz MZHHWUAMVUCUNI-JQWIXIFHSA-N -2 0 341.385 2.078 20 0 EEADRL Cc1c(Cl)c(C(=O)[O-])sc1S(=O)(=O)[N-]c1ncc(C)cn1 ZINC001610539194 1352241492 /nfs/dbraw/zinc/24/14/92/1352241492.db2.gz AQPNJUBYVDRVKN-UHFFFAOYSA-N -2 0 347.805 2.307 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC=CCC2)cc1Cl ZINC001610839143 1352283321 /nfs/dbraw/zinc/28/33/21/1352283321.db2.gz URCMUEKGCVECJG-SECBINFHSA-N -2 0 343.788 2.199 20 0 EEADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H](CC2CC2)C(=O)[O-])n1 ZINC001600231673 1349998080 /nfs/dbraw/zinc/99/80/80/1349998080.db2.gz DQCZZKFSUJNGHM-LBPRGKRZSA-N -2 0 347.346 2.009 20 0 EEADRL Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001600309363 1350017015 /nfs/dbraw/zinc/01/70/15/1350017015.db2.gz ZOXQPKVCYIUZLQ-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc3oc(=O)nc-3[n-]2)cc1 ZINC001600372169 1350032571 /nfs/dbraw/zinc/03/25/71/1350032571.db2.gz PNOWNVIKZACLME-GFCCVEGCSA-N -2 0 341.323 2.183 20 0 EEADRL Cc1cncc([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])c1 ZINC001600628232 1350101714 /nfs/dbraw/zinc/10/17/14/1350101714.db2.gz OFPHUPKOBIPYIU-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)oc1C ZINC001600717859 1350120452 /nfs/dbraw/zinc/12/04/52/1350120452.db2.gz LUWMYNUTHOFRDB-UHFFFAOYSA-N -2 0 330.749 2.444 20 0 EEADRL Cn1cc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c(C2CC2)n1 ZINC001600966386 1350178936 /nfs/dbraw/zinc/17/89/36/1350178936.db2.gz GMAGUGNBKLZJGY-RUDMXATFSA-N -2 0 347.396 2.196 20 0 EEADRL O=C([O-])c1cc(NC(=O)NC[C@@H](C(=O)[O-])C2CCC2)c(F)cc1F ZINC001601450285 1350285577 /nfs/dbraw/zinc/28/55/77/1350285577.db2.gz FVHOYFHFCFDXKL-SECBINFHSA-N -2 0 342.298 2.285 20 0 EEADRL O=C([O-])c1cc(Cl)cc(NC(=O)NCC2(C(=O)[O-])CCC2)c1 ZINC001601470154 1350290597 /nfs/dbraw/zinc/29/05/97/1350290597.db2.gz HYMCMWUIAORKPW-UHFFFAOYSA-N -2 0 326.736 2.415 20 0 EEADRL O=C([O-])C1CCC(NC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)CC1 ZINC001601792000 1350365228 /nfs/dbraw/zinc/36/52/28/1350365228.db2.gz UDZNFZBRLAUXRX-HGMXIMQMSA-N -2 0 346.383 2.023 20 0 EEADRL O=C([O-])CCCO[N-]C(=O)C1(c2cccc(Cl)c2)CCOCC1 ZINC001601994207 1350413414 /nfs/dbraw/zinc/41/34/14/1350413414.db2.gz BIVQVZQQEUTUMX-UHFFFAOYSA-N -2 0 341.791 2.301 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCCC[C@H]3C2)on1 ZINC001602294886 1350487142 /nfs/dbraw/zinc/48/71/42/1350487142.db2.gz RAAFVLXXFVNCST-GARJFASQSA-N -2 0 328.390 2.010 20 0 EEADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)/C=C/C1CCCCCC1 ZINC001603190943 1350659993 /nfs/dbraw/zinc/65/99/93/1350659993.db2.gz YURGWWCSCKEWNE-GSGCRYEPSA-N -2 0 331.434 2.068 20 0 EEADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1csc2ccccc12 ZINC001603191090 1350660242 /nfs/dbraw/zinc/66/02/42/1350660242.db2.gz ZGMFZRPLULLALJ-DTWKUNHWSA-N -2 0 341.410 2.070 20 0 EEADRL CC(C)[C@@H](C(=O)[O-])C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC001603714046 1350748108 /nfs/dbraw/zinc/74/81/08/1350748108.db2.gz LQGAFFXPIHFCCW-SSDOTTSWSA-N -2 0 328.390 2.434 20 0 EEADRL CC(C)c1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cn1 ZINC001604019747 1350830898 /nfs/dbraw/zinc/83/08/98/1350830898.db2.gz SBAAQHWOJDPCKR-UHFFFAOYSA-N -2 0 327.387 2.161 20 0 EEADRL CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C(F)(F)F ZINC001604949077 1351037312 /nfs/dbraw/zinc/03/73/12/1351037312.db2.gz YCGRXUBBMPUXMK-YLWLKBPMSA-N -2 0 346.352 2.097 20 0 EEADRL CCCc1c(C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)[nH]c(C)c1C(=O)[O-] ZINC001605363716 1351144592 /nfs/dbraw/zinc/14/45/92/1351144592.db2.gz BOYJQXVTPQLDPS-MWLCHTKSSA-N -2 0 336.388 2.157 20 0 EEADRL CCCc1c(C(=O)Nc2ncc(C(=O)OCC)[n-]2)[nH]c(C)c1C(=O)[O-] ZINC001605370064 1351145556 /nfs/dbraw/zinc/14/55/56/1351145556.db2.gz AIZIIYJMIXLVPB-UHFFFAOYSA-N -2 0 348.359 2.126 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1n[nH]c(C2CC2)c1C ZINC001605884943 1351245983 /nfs/dbraw/zinc/24/59/83/1351245983.db2.gz GJGFAYCONGNGSP-UHFFFAOYSA-N -2 0 339.373 2.250 20 0 EEADRL C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC001607445444 1351495564 /nfs/dbraw/zinc/49/55/64/1351495564.db2.gz VBSCQGGRMUIVNG-GHMZBOCLSA-N -2 0 347.346 2.042 20 0 EEADRL C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cc(C(=O)[O-])co1 ZINC001607482103 1351500741 /nfs/dbraw/zinc/50/07/41/1351500741.db2.gz FVKVGYBOUYBQGN-KWQFWETISA-N -2 0 334.294 2.009 20 0 EEADRL Cc1ccc(C(=O)[O-])c(NS(=O)(=O)CC2(C(=O)[O-])CCCC2)c1 ZINC001607734014 1351548555 /nfs/dbraw/zinc/54/85/55/1351548555.db2.gz BBEPRXNGOCAZHJ-UHFFFAOYSA-N -2 0 341.385 2.080 20 0 EEADRL O=C(N[C@@H]1COCc2ccccc21)c1ccccc1OP(=O)([O-])[O-] ZINC001189898767 1368386094 /nfs/dbraw/zinc/38/60/94/1368386094.db2.gz HFWKDGMTZQWJLV-CQSZACIVSA-N -2 0 349.279 2.159 20 0 EEADRL Cc1cccc(O)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195234370 1368508947 /nfs/dbraw/zinc/50/89/47/1368508947.db2.gz JAKDPIPAFZVCFI-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)c(Cl)n1 ZINC000184052957 782570554 /nfs/dbraw/zinc/57/05/54/782570554.db2.gz PAABKWGSULZJRV-UHFFFAOYSA-N -2 0 340.788 2.471 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cccc(C(F)F)c2)C1 ZINC000910182433 786514748 /nfs/dbraw/zinc/51/47/48/786514748.db2.gz IDIFFAKLTPYMBR-MNOVXSKESA-N -2 0 327.283 2.014 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000910185325 786516967 /nfs/dbraw/zinc/51/69/67/786516967.db2.gz HKQYHEQIWLJODU-LDYMZIIASA-N -2 0 346.166 2.383 20 0 EEADRL Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1Cl ZINC000910188242 786520327 /nfs/dbraw/zinc/52/03/27/786520327.db2.gz KHYISHLHKPPZKC-CMPLNLGQSA-N -2 0 325.748 2.038 20 0 EEADRL Cc1cccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1Cl ZINC000910192728 786524544 /nfs/dbraw/zinc/52/45/44/786524544.db2.gz TUZUVAZHERNPER-MWLCHTKSSA-N -2 0 325.748 2.038 20 0 EEADRL O=C([O-])c1cc(Nc2ccnn2Br)cc(C(=O)[O-])c1 ZINC001176239404 798391244 /nfs/dbraw/zinc/39/12/44/798391244.db2.gz WIYKOOMMQHNWBZ-UHFFFAOYSA-N -2 0 326.106 2.181 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cnccc2C2CC2)cc1C(=O)[O-] ZINC001185275668 802433377 /nfs/dbraw/zinc/43/33/77/802433377.db2.gz OHZCLFAGILOGLU-UHFFFAOYSA-N -2 0 348.380 2.467 20 0 EEADRL O=Cc1ccc(-c2ccc(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)c([O-])c2)o1 ZINC001595295371 950119636 /nfs/dbraw/zinc/11/96/36/950119636.db2.gz HGXMQTJMFVQRHA-PHIMTYICSA-N -2 0 329.308 2.058 20 0 EEADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cnn(C(C)C)c2)cc1C(=O)[O-] ZINC000156321774 959051356 /nfs/dbraw/zinc/05/13/56/959051356.db2.gz IAZRYFIQNLHREL-UHFFFAOYSA-N -2 0 341.364 2.411 20 0 EEADRL O=C([O-])c1sc2ccccc2c1S(=O)(=O)[N-]c1cncnc1 ZINC000318410548 970432095 /nfs/dbraw/zinc/43/20/95/970432095.db2.gz LEQSCYZQPPJWOO-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC001591708834 975575798 /nfs/dbraw/zinc/57/57/98/975575798.db2.gz BUQQKABPADVXHU-LLVKDONJSA-N -2 0 338.385 2.067 20 0 EEADRL CC(C)Oc1cccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC001591795642 975999618 /nfs/dbraw/zinc/99/96/18/975999618.db2.gz AJROWWYHSBMCTB-UHFFFAOYSA-N -2 0 342.398 2.429 20 0 EEADRL C[C@H](/C=C/C(=O)[O-])NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC001592206830 977246948 /nfs/dbraw/zinc/24/69/48/977246948.db2.gz WMYCMWCLYRKIFF-CYZOPGGISA-N -2 0 329.308 2.224 20 0 EEADRL CC(C)([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1)C(C)(F)F ZINC001592935143 979996265 /nfs/dbraw/zinc/99/62/65/979996265.db2.gz ATVZSXRVURRQTB-UHFFFAOYSA-N -2 0 331.724 2.343 20 0 EEADRL C[C@@H](NC(=O)CC1(C(=O)[O-])CCCCC1)c1ncc(C(=O)[O-])s1 ZINC001593014518 980254971 /nfs/dbraw/zinc/25/49/71/980254971.db2.gz NCLVDIDISONNIE-SECBINFHSA-N -2 0 340.401 2.444 20 0 EEADRL CCC(C)(C)CCS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001594800695 981888644 /nfs/dbraw/zinc/88/86/44/981888644.db2.gz DSJLPNHARJLUEN-NWDGAFQWSA-N -2 0 333.450 2.150 20 0 EEADRL CCCCc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)n[nH]1 ZINC001595793134 982594751 /nfs/dbraw/zinc/59/47/51/982594751.db2.gz FOMFSDFAVWXYIZ-UHFFFAOYSA-N -2 0 341.364 2.390 20 0 EEADRL CC[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001594737556 987281583 /nfs/dbraw/zinc/28/15/83/987281583.db2.gz YOUPRBJGNZRCCY-OAHLLOKOSA-N -2 0 347.392 2.384 20 0 EEADRL CC[C@@H]([N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001597291744 987381745 /nfs/dbraw/zinc/38/17/45/987381745.db2.gz UZIITCJUUXTGFZ-SNVBAGLBSA-N -2 0 325.308 2.145 20 0 EEADRL CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)NCc2cccc(C(=O)[O-])c2)C1 ZINC001589609501 987454175 /nfs/dbraw/zinc/45/41/75/987454175.db2.gz FMEOVSQWGQDADW-AWEZNQCLSA-N -2 0 348.399 2.417 20 0 EEADRL CCc1ccc(C)nc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC001597514393 988119794 /nfs/dbraw/zinc/11/97/94/988119794.db2.gz NAFSCWWCWYZTEU-UHFFFAOYSA-N -2 0 334.397 2.380 20 0 EEADRL CC(C)(C)c1cccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1 ZINC001590799277 990627775 /nfs/dbraw/zinc/62/77/75/990627775.db2.gz OYCMXXUCWANKAG-UHFFFAOYSA-N -2 0 341.429 2.155 20 0 EEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(C)c(C)c1 ZINC001599503346 997166786 /nfs/dbraw/zinc/16/67/86/997166786.db2.gz IOGHCNHAYWEPLT-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL O=C([O-])c1ccc(C(=O)NCc2ccc(O)c(Br)c2)o1 ZINC001602323783 1118986498 /nfs/dbraw/zinc/98/64/98/1118986498.db2.gz AAFBFBZHIQFRPE-UHFFFAOYSA-N -2 0 340.129 2.376 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000336850442 539806350 /nfs/dbraw/zinc/80/63/50/539806350.db2.gz TYLNWROFBOGDBM-UHFFFAOYSA-N -2 0 330.312 2.285 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cnn(C(C)(C)C)c2)ccc1C(=O)[O-] ZINC000349942847 539865533 /nfs/dbraw/zinc/86/55/33/539865533.db2.gz GQUMZOVEPHORKE-UHFFFAOYSA-N -2 0 337.401 2.446 20 0 EEADRL CCCc1ccc([N-]S(=O)(=O)c2cnn(C)c2C)c(C(=O)[O-])c1 ZINC000427143737 241381223 /nfs/dbraw/zinc/38/12/23/241381223.db2.gz LADIIADXVXHPMT-UHFFFAOYSA-N -2 0 337.401 2.180 20 0 EEADRL Cc1ccc(CO)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000438758873 242046421 /nfs/dbraw/zinc/04/64/21/242046421.db2.gz QLJDMTUQGXBMPT-UHFFFAOYSA-N -2 0 339.344 2.125 20 0 EEADRL Cc1cc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)ccc1O ZINC000439272141 242074627 /nfs/dbraw/zinc/07/46/27/242074627.db2.gz KKDSPKKJQUNFRU-UHFFFAOYSA-N -2 0 326.312 2.011 20 0 EEADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)n[nH]2)o1 ZINC000446631586 242205627 /nfs/dbraw/zinc/20/56/27/242205627.db2.gz NPGZXQQSJGXWDG-UHFFFAOYSA-N -2 0 347.352 2.477 20 0 EEADRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000021510462 212227482 /nfs/dbraw/zinc/22/74/82/212227482.db2.gz VFPWBQPRPKHQIK-UHFFFAOYSA-N -2 0 330.749 2.176 20 0 EEADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000267459951 256061388 /nfs/dbraw/zinc/06/13/88/256061388.db2.gz NVACWIWKVJDOSV-UHFFFAOYSA-N -2 0 341.364 2.177 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnc3ccccc3c2)c(O)c1 ZINC000337911985 160680559 /nfs/dbraw/zinc/68/05/59/160680559.db2.gz YYHCTLCDVZNITQ-UHFFFAOYSA-N -2 0 344.348 2.439 20 0 EEADRL COCc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)c1 ZINC000343825532 161171642 /nfs/dbraw/zinc/17/16/42/161171642.db2.gz CHDMJXBAVPORMB-UHFFFAOYSA-N -2 0 337.353 2.038 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(F)c2F)c(O)c1 ZINC000343824290 161171679 /nfs/dbraw/zinc/17/16/79/161171679.db2.gz AILDPUYGDCTXOH-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000547881794 318331757 /nfs/dbraw/zinc/33/17/57/318331757.db2.gz MVZYMJKPCUIMHA-UHFFFAOYSA-N -2 0 341.364 2.411 20 0 EEADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](C(=O)[O-])C1(C)CCCCC1 ZINC000548028436 318347005 /nfs/dbraw/zinc/34/70/05/318347005.db2.gz ZCWHRVFHTIFEMK-RKDXNWHRSA-N -2 0 331.356 2.280 20 0 EEADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(Cl)cnn1C ZINC000574376177 320018900 /nfs/dbraw/zinc/01/89/00/320018900.db2.gz ZMUZCMCJXSMOIG-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL CC(C)n1cnc(S(=O)(=O)N[C@H](CC2CCCCC2)C(=O)[O-])c1 ZINC000574772452 320056312 /nfs/dbraw/zinc/05/63/12/320056312.db2.gz JDNXCAYFENQNMV-CYBMUJFWSA-N -2 0 343.449 2.166 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cn(C)c(C(C)C)n2)cccc1C(=O)[O-] ZINC000577702739 320270392 /nfs/dbraw/zinc/27/03/92/320270392.db2.gz MAWOYAGYRIOTQT-UHFFFAOYSA-N -2 0 337.401 2.351 20 0 EEADRL Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(CCCC(=O)[O-])cc1 ZINC000134622411 463063728 /nfs/dbraw/zinc/06/37/28/463063728.db2.gz IQEYQTQHRYKDSO-UHFFFAOYSA-N -2 0 338.385 2.500 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)cc1C(=O)[O-] ZINC000361776295 466279795 /nfs/dbraw/zinc/27/97/95/466279795.db2.gz LDBGPPYCRXNQHW-UHFFFAOYSA-N -2 0 331.300 2.086 20 0 EEADRL COC(=O)c1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000316027205 466567944 /nfs/dbraw/zinc/56/79/44/466567944.db2.gz LOJSDSYIAGBBMX-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000320537157 466610507 /nfs/dbraw/zinc/61/05/07/466610507.db2.gz CZRCECDGYVPUSA-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1C(=O)[O-] ZINC000438731584 467565662 /nfs/dbraw/zinc/56/56/62/467565662.db2.gz SYUKCMBJZYVSKO-UHFFFAOYSA-N -3 0 335.337 2.192 20 0 EEADRL CO[C@@H](CS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O)C1CCCC1 ZINC000656629031 471790932 /nfs/dbraw/zinc/79/09/32/471790932.db2.gz SNHSWXUMWZNOGL-ZDUSSCGKSA-N -2 0 343.401 2.037 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cnc(C2CC2)nc1 ZINC000675094135 485900680 /nfs/dbraw/zinc/90/06/80/485900680.db2.gz OCXFDRNJVWSANZ-UHFFFAOYSA-N -2 0 333.369 2.161 20 0 EEADRL Cc1c(NS(=O)(=O)Cc2ccccc2C(=O)[O-])cccc1C(=O)[O-] ZINC000738305563 578008818 /nfs/dbraw/zinc/00/88/18/578008818.db2.gz ISPUTJWMBARBKN-UHFFFAOYSA-N -2 0 349.364 2.333 20 0 EEADRL CSc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])nc1 ZINC000738210964 576734061 /nfs/dbraw/zinc/73/40/61/576734061.db2.gz FAEWUXWPTMQRJF-UHFFFAOYSA-N -2 0 342.373 2.442 20 0 EEADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-]C[C@]1(CC(=O)[O-])CC[C@@H](C)C1 ZINC000776627955 577464853 /nfs/dbraw/zinc/46/48/53/577464853.db2.gz YVCMEJNPNAWZBM-WCABBAIRSA-N -2 0 331.356 2.138 20 0 EEADRL COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000758171502 577617552 /nfs/dbraw/zinc/61/75/52/577617552.db2.gz UKKRDLACJCZHOD-UHFFFAOYSA-N -2 0 349.364 2.281 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)cn1 ZINC000753768190 577793120 /nfs/dbraw/zinc/79/31/20/577793120.db2.gz DHUQNXAOAUYVQP-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL Cc1ccc(F)c(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC000738602803 578020896 /nfs/dbraw/zinc/02/08/96/578020896.db2.gz DEERFQKRKMAOQP-UHFFFAOYSA-N -2 0 343.357 2.013 20 0 EEADRL Cc1noc2ncc([N-]S(=O)(=O)c3cccc(C)c3C(=O)[O-])cc12 ZINC000738747274 578025579 /nfs/dbraw/zinc/02/55/79/578025579.db2.gz RGMTYCXJSURMOW-UHFFFAOYSA-N -2 0 347.352 2.339 20 0 EEADRL O=C([O-])c1sccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000740144337 578082663 /nfs/dbraw/zinc/08/26/63/578082663.db2.gz OOPGRUGOGWFGQV-UHFFFAOYSA-N -3 0 345.329 2.084 20 0 EEADRL C/C(=C\C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])C(C)(C)C ZINC000825724919 600937605 /nfs/dbraw/zinc/93/76/05/600937605.db2.gz XQTFAVAFWCIGRQ-BQYQJAHWSA-N -2 0 331.415 2.244 20 0 EEADRL Cc1ccccc1-n1nccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000832976432 600983186 /nfs/dbraw/zinc/98/31/86/600983186.db2.gz NDOBNXQECSINQW-UHFFFAOYSA-N -2 0 346.368 2.008 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cc1C(=O)[O-] ZINC000832866183 601232022 /nfs/dbraw/zinc/23/20/22/601232022.db2.gz IEGRACLFJFOUGS-UHFFFAOYSA-N -3 0 339.325 2.094 20 0 EEADRL O=C([O-])CCCNC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000833227016 601386502 /nfs/dbraw/zinc/38/65/02/601386502.db2.gz MKZCVJZTRUSQFB-UHFFFAOYSA-N -2 0 336.569 2.403 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])c(F)cc1F ZINC000832904405 601795249 /nfs/dbraw/zinc/79/52/49/601795249.db2.gz MANCGTKGOKAHFC-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL O=C([O-])c1ccc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1 ZINC000833321620 601855208 /nfs/dbraw/zinc/85/52/08/601855208.db2.gz JWSNZCGWZDTXRU-UHFFFAOYSA-N -2 0 339.300 2.023 20 0 EEADRL O=C([O-])c1csc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000833343836 602118316 /nfs/dbraw/zinc/11/83/16/602118316.db2.gz RTCLPLGNVWXYDB-UHFFFAOYSA-N -3 0 345.329 2.084 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cccc3nonc32)sc1C(=O)[O-] ZINC000832899599 602195950 /nfs/dbraw/zinc/19/59/50/602195950.db2.gz OMLPPTMPDJLXFP-UHFFFAOYSA-N -2 0 339.354 2.092 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)[O-])c2)cc1Cl ZINC000388127847 604337924 /nfs/dbraw/zinc/33/79/24/604337924.db2.gz DODGTSOUTRBLCP-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL Cc1scc(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1C ZINC000833759072 605021473 /nfs/dbraw/zinc/02/14/73/605021473.db2.gz LLANKKPDJHRMLB-UHFFFAOYSA-N -2 0 339.394 2.182 20 0 EEADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000863951936 1197936318 /nfs/dbraw/zinc/93/63/18/1197936318.db2.gz YEDYGCQDILSNID-AWEZNQCLSA-N -2 0 349.408 2.392 20 0 EEADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1sccc1Cl ZINC000863963080 1197938755 /nfs/dbraw/zinc/93/87/55/1197938755.db2.gz JAFQMSMKTARPIC-UHFFFAOYSA-N -2 0 339.822 2.097 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])n(C(C)(C)C)n1 ZINC001198738615 1285311899 /nfs/dbraw/zinc/31/18/99/1285311899.db2.gz BCSFUPJKYVZXDJ-UHFFFAOYSA-N -2 0 337.401 2.446 20 0 EEADRL Cc1nc2ccccn2c1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198741555 1285313028 /nfs/dbraw/zinc/31/30/28/1285313028.db2.gz OUYTVZNTIFWXLV-UHFFFAOYSA-N -2 0 331.353 2.142 20 0 EEADRL CS(=O)(=O)[N-]C(=O)Cc1ccc(Nc2cccc([S-])c2)cc1 ZINC001210948190 1295592868 /nfs/dbraw/zinc/59/28/68/1295592868.db2.gz IYCUYMHEJOAZHG-UHFFFAOYSA-N -2 0 336.438 2.337 20 0 EEADRL CS(=O)(=O)Nc1ccccc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242163393 1309623608 /nfs/dbraw/zinc/62/36/08/1309623608.db2.gz VIRGJJKMWILDHB-UHFFFAOYSA-N -2 0 335.337 2.122 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccc([C@@H]3CNC(=O)C3)c2)c1 ZINC001242161688 1309623650 /nfs/dbraw/zinc/62/36/50/1309623650.db2.gz IGLUBMQBESVWFZ-HNNXBMFYSA-N -2 0 325.320 2.354 20 0 EEADRL CCOC(=O)[C@@H](C)n1cc(-c2c(C(=O)[O-])cccc2C(=O)[O-])cn1 ZINC001245329126 1310074056 /nfs/dbraw/zinc/07/40/56/1310074056.db2.gz KOBSAMFAOZDYDI-SECBINFHSA-N -2 0 332.312 2.071 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cnc1Cl ZINC001260221996 1319836644 /nfs/dbraw/zinc/83/66/44/1319836644.db2.gz FQOUNIMVQSHSKM-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2cccc(F)n2)cc1C(=O)[O-] ZINC000391403336 1322895587 /nfs/dbraw/zinc/89/55/87/1322895587.db2.gz ICYJMTYEPLELDK-UHFFFAOYSA-N -2 0 340.332 2.118 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)c2ccoc2C2CC2)s1 ZINC001602396426 1350510155 /nfs/dbraw/zinc/51/01/55/1350510155.db2.gz SWAFIYXQZWBFKM-UHFFFAOYSA-N -2 0 341.366 2.035 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2c(C)noc2C2CC2)oc1C(=O)[O-] ZINC001607708166 1351544047 /nfs/dbraw/zinc/54/40/47/1351544047.db2.gz AWIHQMVMBYYOTO-UHFFFAOYSA-N -2 0 326.330 2.261 20 0 EEADRL O=C([O-])C1=CC[C@@H](NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])C1 ZINC001608587648 1351721174 /nfs/dbraw/zinc/72/11/74/1351721174.db2.gz ZMALWLGQTZSMIF-LLVKDONJSA-N -2 0 347.758 2.135 20 0 EEADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cccc3cnccc32)n1 ZINC001608787080 1351763389 /nfs/dbraw/zinc/76/33/89/1351763389.db2.gz OKJLDYULCVGZHQ-UHFFFAOYSA-N -2 0 343.364 2.058 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]C2CCC(F)(F)CC2)oc1Cl ZINC001608860232 1351780378 /nfs/dbraw/zinc/78/03/78/1351780378.db2.gz BFIJSAPAFSGLCL-UHFFFAOYSA-N -2 0 343.735 2.487 20 0 EEADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]c2noc3ccccc32)cc1 ZINC001608890346 1351788346 /nfs/dbraw/zinc/78/83/46/1351788346.db2.gz DTXNQPYHRBHAHD-UHFFFAOYSA-N -2 0 332.337 2.468 20 0 EEADRL Cn1ccnc1S(=O)(=O)[N-]c1ccc2[n-]c(=S)sc2c1 ZINC001193600218 1368465814 /nfs/dbraw/zinc/46/58/14/1368465814.db2.gz VQOBHAFIHGFOLI-UHFFFAOYSA-N -2 0 326.428 2.119 20 0 EEADRL O=C([O-])c1cncc(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)c1 ZINC001608983042 1351808013 /nfs/dbraw/zinc/80/80/13/1351808013.db2.gz LBRJZPRNMDXBMZ-UHFFFAOYSA-N -2 0 344.348 2.439 20 0 EEADRL O=C([O-])c1coc(C[N-]C(=O)C(F)(F)c2c(F)cccc2F)n1 ZINC001608988399 1351808896 /nfs/dbraw/zinc/80/88/96/1351808896.db2.gz GDDONDCLQOVURG-UHFFFAOYSA-N -2 0 332.209 2.059 20 0 EEADRL C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C[C@@H]1C ZINC001609846403 1352100017 /nfs/dbraw/zinc/10/00/17/1352100017.db2.gz YPVMCNPILLBWIZ-GRYCIOLGSA-N -2 0 339.413 2.262 20 0 EEADRL CCCCc1ccc(NC(=S)NCCOP(=O)([O-])[O-])cc1 ZINC001200391648 1338301723 /nfs/dbraw/zinc/30/17/23/1338301723.db2.gz FDDJIUAIOGWCKQ-UHFFFAOYSA-N -2 0 332.362 2.425 20 0 EEADRL Cc1conc1[N-]S(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC001610543386 1352242453 /nfs/dbraw/zinc/24/24/53/1352242453.db2.gz INHBYDSRUMAJON-UHFFFAOYSA-N -2 0 333.325 2.030 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)C[C@H]1CCC[C@H](C)C1 ZINC001610581955 1352248775 /nfs/dbraw/zinc/24/87/75/1352248775.db2.gz XIIKKNIULMPIFM-ONGXEEELSA-N -2 0 343.401 2.308 20 0 EEADRL O=C([O-])c1cncc(S(=O)(=O)[N-]c2cccc3c2CCCC3)c1 ZINC001610863856 1352287371 /nfs/dbraw/zinc/28/73/71/1352287371.db2.gz GZEPXBMSHCFLLQ-UHFFFAOYSA-N -2 0 332.381 2.459 20 0 EEADRL O=C(Nc1nc(Cl)c(-c2nnn[n-]2)s1)c1cccc(F)c1[O-] ZINC001582653015 1344778031 /nfs/dbraw/zinc/77/80/31/1344778031.db2.gz DIILULOJMILLBK-UHFFFAOYSA-N -2 0 340.727 2.074 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2ccnn2C2CCC2)cc1C(=O)[O-] ZINC001600463957 1350057728 /nfs/dbraw/zinc/05/77/28/1350057728.db2.gz HZOHFRLWTGMDJH-UHFFFAOYSA-N -2 0 335.385 2.416 20 0 EEADRL Cc1cccc(C(=O)[O-])c1NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001600513705 1350070435 /nfs/dbraw/zinc/07/04/35/1350070435.db2.gz WJHLOMZEPIQPCC-UHFFFAOYSA-N -2 0 349.364 2.333 20 0 EEADRL Cc1cnn(CC2CC2)c1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001600550226 1350079897 /nfs/dbraw/zinc/07/98/97/1350079897.db2.gz LWGGOVGBYPDOJN-UHFFFAOYSA-N -2 0 349.412 2.409 20 0 EEADRL Cc1ccncc1S(=O)(=O)[N-]c1nc(C(C)C)c(C(=O)[O-])s1 ZINC001600607790 1350096392 /nfs/dbraw/zinc/09/63/92/1350096392.db2.gz RCAXJDGVCCLOFZ-UHFFFAOYSA-N -2 0 341.414 2.469 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)nc2c1CCCC2 ZINC001600717886 1350120570 /nfs/dbraw/zinc/12/05/70/1350120570.db2.gz MZIFSIPETFFPDR-UHFFFAOYSA-N -2 0 347.396 2.163 20 0 EEADRL O=C([O-])[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1cccc(O)c1 ZINC001601398018 1350274111 /nfs/dbraw/zinc/27/41/11/1350274111.db2.gz RAIFPHUESKGVLT-LBPRGKRZSA-N -2 0 339.706 2.446 20 0 EEADRL O=C([O-])c1cc(NC(=O)NC[C@H](C(=O)[O-])C2CCC2)cc2[nH]ccc21 ZINC001601450866 1350286031 /nfs/dbraw/zinc/28/60/31/1350286031.db2.gz WSUZXZNRYBNAFQ-ZDUSSCGKSA-N -2 0 345.355 2.489 20 0 EEADRL O=C([O-])[C@@H](CS(=O)(=O)[N-]c1cccc2c1OCO2)c1ccccc1 ZINC001601656499 1350329851 /nfs/dbraw/zinc/32/98/51/1350329851.db2.gz BNBQVLZRPVRZEO-LBPRGKRZSA-N -2 0 349.364 2.025 20 0 EEADRL O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2cnn3c2CCCC3)cc1 ZINC001601883593 1350389644 /nfs/dbraw/zinc/38/96/44/1350389644.db2.gz DBRCDCUYYIZGER-RMKNXTFCSA-N -2 0 347.396 2.118 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC3=O)c[nH]1 ZINC001602297771 1350487554 /nfs/dbraw/zinc/48/75/54/1350487554.db2.gz WFRGUXJYYGKDDG-UHFFFAOYSA-N -2 0 334.353 2.033 20 0 EEADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CC3CCC2CC3)s1 ZINC001602324390 1350494434 /nfs/dbraw/zinc/49/44/34/1350494434.db2.gz LTNHXNJBUNFCGL-KWPJZBAWSA-N -2 0 343.426 2.085 20 0 EEADRL O=C([O-])c1ccc2c(c1)CN(C(=O)c1s[n-]c(=O)c1Cl)CC2 ZINC001602420743 1350515542 /nfs/dbraw/zinc/51/55/42/1350515542.db2.gz HBSKPEGCUXTRMS-UHFFFAOYSA-N -2 0 338.772 2.399 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2cncnc2-c2ccccc2)c1 ZINC001602557771 1350546025 /nfs/dbraw/zinc/54/60/25/1350546025.db2.gz DIMYVZWFYFLLHG-UHFFFAOYSA-N -2 0 345.336 2.236 20 0 EEADRL CC(C)n1cc(S(=O)(=O)[N-]c2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)cn1 ZINC001604035684 1350835224 /nfs/dbraw/zinc/83/52/24/1350835224.db2.gz FOYJIWHEACUTCT-LSDHHAIUSA-N -2 0 349.412 2.453 20 0 EEADRL CCC(CC)[C@H](C)C(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001605011844 1351053483 /nfs/dbraw/zinc/05/34/83/1351053483.db2.gz WLCLMSLVHJWFQT-OGWMHSMQSA-N -2 0 325.405 2.083 20 0 EEADRL COC(=O)c1cc(S(=O)(=O)[N-]c2sccc2C(=O)[O-])cs1 ZINC001606570668 1351323675 /nfs/dbraw/zinc/32/36/75/1351323675.db2.gz BFRBTCIOLJEAIH-UHFFFAOYSA-N -2 0 347.395 2.095 20 0 EEADRL Cc1[nH]c(C(=O)CN2CCC[C@H](CCC(=O)[O-])C2)c(C)c1C(=O)[O-] ZINC001607485640 1351502000 /nfs/dbraw/zinc/50/20/00/1351502000.db2.gz JQRPPQUIIKPPBM-GFCCVEGCSA-N -2 0 336.388 2.089 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]C(=O)C1CCCCC1 ZINC001607599125 1351522098 /nfs/dbraw/zinc/52/20/98/1351522098.db2.gz SRDRCRCPFHQYHS-UHFFFAOYSA-N -2 0 325.386 2.078 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2ccnn2C2CCC2)ccc1C(=O)[O-] ZINC001607708100 1351543369 /nfs/dbraw/zinc/54/33/69/1351543369.db2.gz WBJCWTNVZGLDSO-UHFFFAOYSA-N -2 0 335.385 2.416 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2ccnc(Cl)c2C)cc1C(=O)[O-] ZINC001608057325 1351616036 /nfs/dbraw/zinc/61/60/36/1351616036.db2.gz WDMCCTXBKSHPAO-UHFFFAOYSA-N -2 0 330.749 2.444 20 0 EEADRL Cc1sc(C)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cnc(Cl)n1C ZINC001608065720 1351618045 /nfs/dbraw/zinc/61/80/45/1351618045.db2.gz ADQFBRGSBWABFY-UHFFFAOYSA-N -2 0 349.821 2.251 20 0 EEADRL Cc1nc2c([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)cccn2c1C ZINC000074860242 1354369390 /nfs/dbraw/zinc/36/93/90/1354369390.db2.gz ZBLYTZAKKBHIJM-UHFFFAOYSA-N -2 0 345.380 2.450 20 0 EEADRL O=C(NCCOP(=O)([O-])[O-])NC1c2ccccc2-c2ccccc21 ZINC001190057280 1368389657 /nfs/dbraw/zinc/38/96/57/1368389657.db2.gz ZGYQPXCTWHBWHM-UHFFFAOYSA-N -2 0 348.295 2.165 20 0 EEADRL O=P([O-])([O-])OCCNc1ncnc(Cl)c1-c1ccccc1 ZINC001168588056 790571862 /nfs/dbraw/zinc/57/18/62/790571862.db2.gz YQCUBGJRWMDYEY-UHFFFAOYSA-N -2 0 329.680 2.318 20 0 EEADRL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl)C(F)(F)F ZINC000906988019 784303778 /nfs/dbraw/zinc/30/37/78/784303778.db2.gz VUPIKKRNZJSXQX-BYPYZUCNSA-N -2 0 349.689 2.406 20 0 EEADRL Cc1ccc([C@@H]2C[C@H]2C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1C ZINC000910181010 786513678 /nfs/dbraw/zinc/51/36/78/786513678.db2.gz BRSILRMTYMHXCB-CAOSSQGBSA-N -2 0 345.395 2.183 20 0 EEADRL Cc1ccc(CCC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c(C)c1 ZINC000910188989 786521461 /nfs/dbraw/zinc/52/14/61/786521461.db2.gz OOAXLSYCTFMWSW-LSDHHAIUSA-N -2 0 333.384 2.012 20 0 EEADRL Cc1sccc1Nc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-] ZINC001174461888 797776796 /nfs/dbraw/zinc/77/67/96/797776796.db2.gz PAUKOOHHHVQEPZ-UHFFFAOYSA-N -2 0 349.411 2.294 20 0 EEADRL O=C([O-])c1cc(Nc2nnc(Br)s2)cc(C(=O)[O-])c1 ZINC001176237048 798390051 /nfs/dbraw/zinc/39/00/51/798390051.db2.gz UOVVJZHMVWLNGE-UHFFFAOYSA-N -2 0 344.146 2.441 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2nccnc2C2CC2)cc1C(=O)[O-] ZINC001184660035 802121717 /nfs/dbraw/zinc/12/17/17/802121717.db2.gz STMSISBJRSVFLB-UHFFFAOYSA-N -2 0 333.369 2.161 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cccc3c2OCC3)cc1C(=O)[O-] ZINC001185312599 802454664 /nfs/dbraw/zinc/45/46/64/802454664.db2.gz ZKCRJEAOSHQSAH-UHFFFAOYSA-N -2 0 349.364 2.129 20 0 EEADRL CC(=O)c1ccc([O-])c(NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)c1 ZINC000790014327 808349295 /nfs/dbraw/zinc/34/92/95/808349295.db2.gz UZQLKNUMSICAKQ-LBPRGKRZSA-N -2 0 346.305 2.236 20 0 EEADRL CCCN(CC(=O)[O-])C(=O)c1cc(Br)cc(F)c1[O-] ZINC001589665550 949888947 /nfs/dbraw/zinc/88/89/47/949888947.db2.gz AMVIUPUSQKMZSZ-UHFFFAOYSA-N -2 0 334.141 2.231 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000386576259 972066243 /nfs/dbraw/zinc/06/62/43/972066243.db2.gz RGPYBDVPAXJDJE-UHFFFAOYSA-N -2 0 342.354 2.464 20 0 EEADRL O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000391017621 972312562 /nfs/dbraw/zinc/31/25/62/972312562.db2.gz WKSLQHJYAGVNEA-WSFZALMZSA-N -2 0 329.274 2.135 20 0 EEADRL C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001573711857 959855053 /nfs/dbraw/zinc/85/50/53/959855053.db2.gz PNGUZMONSLHLLX-GHMZBOCLSA-N -2 0 347.346 2.042 20 0 EEADRL CC(C)c1cc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)n[nH]1 ZINC000392402715 972479823 /nfs/dbraw/zinc/47/98/23/972479823.db2.gz LRIZGLVYWFYXAM-UHFFFAOYSA-N -2 0 349.412 2.450 20 0 EEADRL O=C([O-])c1nsc([N-]C(=O)c2oc(C3CC3)nc2C(F)F)n1 ZINC001571187492 962221507 /nfs/dbraw/zinc/22/15/07/962221507.db2.gz DWNFVYKWVYSGEB-UHFFFAOYSA-N -2 0 330.272 2.292 20 0 EEADRL O=C([O-])[C@@H](CNC(=O)c1ccc([O-])c(Cl)c1)Oc1ccccc1 ZINC001571229041 962614330 /nfs/dbraw/zinc/61/43/30/962614330.db2.gz QOWONLQVURQRPM-CQSZACIVSA-N -2 0 335.743 2.308 20 0 EEADRL CC(C)c1nc([N-]S(=O)(=O)c2cccnc2)sc1C(=O)[O-] ZINC001592030252 976734348 /nfs/dbraw/zinc/73/43/48/976734348.db2.gz GTPIPYNQAWYRNN-UHFFFAOYSA-N -2 0 327.387 2.161 20 0 EEADRL CC[C@@](COC)(NC(=O)c1cccc(C(F)(F)F)c1[O-])C(=O)[O-] ZINC001595193945 979894613 /nfs/dbraw/zinc/89/46/13/979894613.db2.gz KRUDXLXPLJAUOI-ZDUSSCGKSA-N -2 0 335.278 2.021 20 0 EEADRL C[C@H](NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593002099 980214079 /nfs/dbraw/zinc/21/40/79/980214079.db2.gz BBBCFZNERQUTEO-PJSNJIKXSA-N -2 0 325.405 2.129 20 0 EEADRL CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC001595748338 982418300 /nfs/dbraw/zinc/41/83/00/982418300.db2.gz WOOIGJOPHSACRT-NSHDSACASA-N -2 0 343.401 2.042 20 0 EEADRL CCOC(=O)c1[n-]c(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)nc1Cl ZINC001596691647 984807827 /nfs/dbraw/zinc/80/78/27/984807827.db2.gz NQZHMSJBKWXLJK-HTQZYQBOSA-N -2 0 343.767 2.069 20 0 EEADRL C[C@@H]1CN(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CC[C@@H]1C(=O)[O-] ZINC001594478436 985504915 /nfs/dbraw/zinc/50/49/15/985504915.db2.gz BKKQICYSHJMNRL-SKDRFNHKSA-N -2 0 338.335 2.027 20 0 EEADRL CC(=O)c1ccccc1[N-]S(=O)(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC001589316703 986114570 /nfs/dbraw/zinc/11/45/70/986114570.db2.gz YCQQFVPWGRVBGL-OAHLLOKOSA-N -2 0 347.392 2.499 20 0 EEADRL CCc1cc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)nc(C)n1 ZINC001597482522 987978384 /nfs/dbraw/zinc/97/83/84/987978384.db2.gz KHWHLJOFTGKPDM-TWGQIWQCSA-N -2 0 347.396 2.246 20 0 EEADRL CC(C)(C)CC[C@@H](NS(=O)(=O)c1ccsc1C(=O)[O-])C(=O)[O-] ZINC001589766510 988112657 /nfs/dbraw/zinc/11/26/57/988112657.db2.gz HBIMXPVEYUDYTR-MRVPVSSYSA-N -2 0 349.430 2.004 20 0 EEADRL CSCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC001599802643 988201913 /nfs/dbraw/zinc/20/19/13/988201913.db2.gz QAJOUDGSBFBNJZ-UHFFFAOYSA-N -2 0 338.410 2.444 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(C)C)n[nH]1 ZINC001597785964 989308247 /nfs/dbraw/zinc/30/82/47/989308247.db2.gz WFDXIKIVYUYDGV-UHFFFAOYSA-N -2 0 327.362 2.188 20 0 EEADRL COc1ccc(C(=O)[O-])c(NC(=O)N2CCC(C)(C(=O)[O-])CC2)c1 ZINC001599488925 996903684 /nfs/dbraw/zinc/90/36/84/996903684.db2.gz DFEJRYSMXBRURU-UHFFFAOYSA-N -2 0 336.344 2.112 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc2cccnc21 ZINC001599445049 997994544 /nfs/dbraw/zinc/99/45/44/997994544.db2.gz WXAWLJKVVIIDRJ-UHFFFAOYSA-N -2 0 348.336 2.335 20 0 EEADRL C[C@@H]1CCN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C[C@@H]1C(=O)[O-] ZINC001594404026 999513603 /nfs/dbraw/zinc/51/36/03/999513603.db2.gz XONMZYDASHZSCV-APPZFPTMSA-N -2 0 342.298 2.238 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2cc(C)ccc2OC)cc1C(=O)[O-] ZINC000270006777 539697799 /nfs/dbraw/zinc/69/77/99/539697799.db2.gz PLJOJNHJQOHARF-UHFFFAOYSA-N -2 0 338.385 2.324 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cnn(CC(C)C)c1 ZINC000268580381 252039896 /nfs/dbraw/zinc/03/98/96/252039896.db2.gz DUFPLJJCROBFFY-UHFFFAOYSA-N -2 0 337.401 2.347 20 0 EEADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000316852525 160533105 /nfs/dbraw/zinc/53/31/05/160533105.db2.gz XWOCKAYKFSEZNP-UHFFFAOYSA-N -2 0 327.308 2.393 20 0 EEADRL O=C([O-])[C@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])c1ccccc1 ZINC000238038482 160227397 /nfs/dbraw/zinc/22/73/97/160227397.db2.gz XHEYDJNLOKBPII-OAHLLOKOSA-N -2 0 337.335 2.134 20 0 EEADRL CCc1ncc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC)s1 ZINC000359084629 164054076 /nfs/dbraw/zinc/05/40/76/164054076.db2.gz IHAHHOKSGGGWPA-UHFFFAOYSA-N -2 0 342.398 2.213 20 0 EEADRL C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000360499695 164324635 /nfs/dbraw/zinc/32/46/35/164324635.db2.gz HMDMREHNBIWHNK-JTQLQIEISA-N -2 0 333.365 2.230 20 0 EEADRL Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)s1 ZINC000360510604 164326531 /nfs/dbraw/zinc/32/65/31/164326531.db2.gz HTQFPUBSYCLMJQ-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(F)cc2O)c1 ZINC000338133875 312248708 /nfs/dbraw/zinc/24/87/08/312248708.db2.gz ZUZODCWJZJMXMX-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)nn1C(C)C ZINC000421186978 314061865 /nfs/dbraw/zinc/06/18/65/314061865.db2.gz UWKYMNBZAIVUQC-UHFFFAOYSA-N -2 0 341.364 2.411 20 0 EEADRL CCc1onc(C)c1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O ZINC000436755983 314996052 /nfs/dbraw/zinc/99/60/52/314996052.db2.gz PCVARCAUCICPHA-UHFFFAOYSA-N -2 0 340.357 2.058 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)nn1C ZINC000439060244 315065745 /nfs/dbraw/zinc/06/57/45/315065745.db2.gz XNBXBUYRKCIIKA-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)ccc1F ZINC000336861072 465056340 /nfs/dbraw/zinc/05/63/40/465056340.db2.gz XDPVYKMGJKJEKA-UHFFFAOYSA-N -2 0 329.305 2.235 20 0 EEADRL Cc1ccc(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000013344257 462890712 /nfs/dbraw/zinc/89/07/12/462890712.db2.gz UZZSKJLDCVFDQS-UHFFFAOYSA-N -2 0 349.364 2.121 20 0 EEADRL Cc1ccc(F)c([N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)c1C(=O)[O-] ZINC000084147722 463580819 /nfs/dbraw/zinc/58/08/19/463580819.db2.gz QHUJQSDWEZPOEI-UHFFFAOYSA-N -2 0 341.364 2.480 20 0 EEADRL Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000126455222 463637908 /nfs/dbraw/zinc/63/79/08/463637908.db2.gz URGGLBMCDNOMFC-UHFFFAOYSA-N -2 0 347.352 2.477 20 0 EEADRL CCCC[C@@H](NS(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-] ZINC000262317064 464000467 /nfs/dbraw/zinc/00/04/67/464000467.db2.gz PMKHBUIVLZBOFI-MRVPVSSYSA-N -2 0 340.323 2.022 20 0 EEADRL CC(C)c1nn(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000281199306 464368913 /nfs/dbraw/zinc/36/89/13/464368913.db2.gz RWPOWTYVJKRYPN-UHFFFAOYSA-N -2 0 341.364 2.182 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cccc2[nH]c(=O)oc21 ZINC000357327243 465950909 /nfs/dbraw/zinc/95/09/09/465950909.db2.gz DAXYHYPNDXCYHV-UHFFFAOYSA-N -2 0 348.336 2.341 20 0 EEADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccoc1 ZINC000349992862 466342837 /nfs/dbraw/zinc/34/28/37/466342837.db2.gz VAKALKWLTPEUJF-UHFFFAOYSA-N -2 0 331.733 2.441 20 0 EEADRL CC(C)C[C@H](CNC(=O)N=c1nc(C(C)(C)C)[n-]s1)C(=O)[O-] ZINC000424375597 467034682 /nfs/dbraw/zinc/03/46/82/467034682.db2.gz AITXTCVLOCUWAJ-SECBINFHSA-N -2 0 328.438 2.126 20 0 EEADRL CC[C@@H](CC[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000568000929 468253819 /nfs/dbraw/zinc/25/38/19/468253819.db2.gz FRTHGMBBVIMDHZ-ZETCQYMHSA-N -2 0 341.763 2.397 20 0 EEADRL CCC(=O)c1ccc([O-])c([N-]S(=O)(=O)C[C@@H](OC)C(C)C)c1 ZINC000647133722 470837532 /nfs/dbraw/zinc/83/75/32/470837532.db2.gz XCVWBNJZASUYPB-OAHLLOKOSA-N -2 0 329.418 2.398 20 0 EEADRL CC[C@](C)(C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000650413101 470874259 /nfs/dbraw/zinc/87/42/59/470874259.db2.gz ISVRWMXRFIJVHV-GFCCVEGCSA-N -2 0 341.763 2.397 20 0 EEADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000737892851 577251874 /nfs/dbraw/zinc/25/18/74/577251874.db2.gz QPRPVKXGYQRWJI-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cnc1Cl ZINC000759681061 577647818 /nfs/dbraw/zinc/64/78/18/577647818.db2.gz SHIRWMDSWBXLFM-UHFFFAOYSA-N -2 0 342.760 2.248 20 0 EEADRL Cc1ccsc1S(=O)(=O)[N-]c1ccc(OCC(=O)[O-])cc1 ZINC000738797977 578027144 /nfs/dbraw/zinc/02/71/44/578027144.db2.gz FBVORJUDYDHCPS-UHFFFAOYSA-N -2 0 327.383 2.321 20 0 EEADRL CC(C)C[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000736404260 578201511 /nfs/dbraw/zinc/20/15/11/578201511.db2.gz YFHKCJLNUDFFEM-LLVKDONJSA-N -2 0 327.402 2.262 20 0 EEADRL CS(=O)(=O)[N-]c1ccccc1C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC000818648155 597312726 /nfs/dbraw/zinc/31/27/26/597312726.db2.gz AQSARJJXMKJQEP-UHFFFAOYSA-N -2 0 349.364 2.113 20 0 EEADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000321814746 600513888 /nfs/dbraw/zinc/51/38/88/600513888.db2.gz WWOUYJJKTODMBO-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL Cc1[nH]c(C([O-])=CS(=O)(=O)C2CCCCC2)c(C)c1C(=O)[O-] ZINC000832843437 600831603 /nfs/dbraw/zinc/83/16/03/600831603.db2.gz MAQBZEASHFWSGG-UHFFFAOYSA-N -2 0 327.402 2.260 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)c1 ZINC000833334542 600989430 /nfs/dbraw/zinc/98/94/30/600989430.db2.gz QZFBAEUQJZIJID-UHFFFAOYSA-N -2 0 343.364 2.371 20 0 EEADRL O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000833181935 601186970 /nfs/dbraw/zinc/18/69/70/601186970.db2.gz UTRHVVTYFJGXLW-WDSKDSINSA-N -2 0 334.553 2.467 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)cc1C(=O)[O-] ZINC000833030426 601215869 /nfs/dbraw/zinc/21/58/69/601215869.db2.gz VPRGSNSXKPAPPM-UHFFFAOYSA-N -2 0 347.352 2.273 20 0 EEADRL O=C([O-])c1ccc(F)c(NC(=O)CSc2n[n-]c(=S)s2)c1 ZINC000833116426 601273568 /nfs/dbraw/zinc/27/35/68/601273568.db2.gz WCMLWRWCXQNRCE-UHFFFAOYSA-N -2 0 345.402 2.395 20 0 EEADRL CC(C)Cn1cc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cn1 ZINC000826918131 601333950 /nfs/dbraw/zinc/33/39/50/601333950.db2.gz WHEKUDJTNHPKBO-VMPITWQZSA-N -2 0 349.412 2.438 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)nc1 ZINC000832413122 601361698 /nfs/dbraw/zinc/36/16/98/601361698.db2.gz DFNZIIUTGWNDET-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL CC(C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)no1 ZINC000827112014 601361941 /nfs/dbraw/zinc/36/19/41/601361941.db2.gz DHAIPJTXIULLMC-UHFFFAOYSA-N -2 0 328.321 2.436 20 0 EEADRL COc1ccc(C)nc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000832265791 601847770 /nfs/dbraw/zinc/84/77/70/601847770.db2.gz RQRRZSGPMAZKOV-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL CC(C)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833468989 605118238 /nfs/dbraw/zinc/11/82/38/605118238.db2.gz OSGIPIQGKSFHNI-QMMMGPOBSA-N -2 0 333.793 2.135 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C)cc1Cl ZINC000863957395 1197936133 /nfs/dbraw/zinc/93/61/33/1197936133.db2.gz YSRDKSGXQTUDQI-LLVKDONJSA-N -2 0 347.820 2.200 20 0 EEADRL Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C)c1C ZINC000863953752 1197936746 /nfs/dbraw/zinc/93/67/46/1197936746.db2.gz XMQWFGCIFIGDED-ZDUSSCGKSA-N -2 0 341.429 2.082 20 0 EEADRL CCCc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000863963919 1197938523 /nfs/dbraw/zinc/93/85/23/1197938523.db2.gz KOEXLFKHVARJPN-ZDUSSCGKSA-N -2 0 341.429 2.191 20 0 EEADRL COc1c(O)cccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186193812 1278985197 /nfs/dbraw/zinc/98/51/97/1278985197.db2.gz XDLNNJGZRFYGQW-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL CC(C)c1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)o1 ZINC001187540075 1279577112 /nfs/dbraw/zinc/57/71/12/1279577112.db2.gz KMJZDIARHVASLG-UHFFFAOYSA-N -2 0 345.764 2.345 20 0 EEADRL Cc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c(C)c1 ZINC001195194109 1283486701 /nfs/dbraw/zinc/48/67/01/1283486701.db2.gz BDBIEUCQEVHWBI-UHFFFAOYSA-N -2 0 342.323 2.476 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2ncccc2C)cc1C(=O)[O-] ZINC000320103296 1299425660 /nfs/dbraw/zinc/42/56/60/1299425660.db2.gz YUVLPNIWLGVAQM-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL O=P([O-])([O-])Oc1ccc(OC[C@H]2COc3cscc3O2)cc1 ZINC001234337097 1304885122 /nfs/dbraw/zinc/88/51/22/1304885122.db2.gz XILWVBDWBALVMP-NSHDSACASA-N -2 0 344.281 2.438 20 0 EEADRL CN1C(=O)NCc2cccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c21 ZINC001242163841 1309625480 /nfs/dbraw/zinc/62/54/80/1309625480.db2.gz OHAZKFJIBPPFFD-UHFFFAOYSA-N -2 0 326.308 2.409 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnccc2OC(F)F)cc1 ZINC001260223380 1319837011 /nfs/dbraw/zinc/83/70/11/1319837011.db2.gz OUTSSRVGTCUTDY-UHFFFAOYSA-N -2 0 344.295 2.182 20 0 EEADRL COc1cnc(NCCOP(=O)([O-])[O-])c2cc(Cl)ccc12 ZINC001157790997 1318863364 /nfs/dbraw/zinc/86/33/64/1318863364.db2.gz GIKJDJPVNKKZFF-UHFFFAOYSA-N -2 0 332.680 2.418 20 0 EEADRL Cc1cccc(Sc2cncc(NCCOP(=O)([O-])[O-])n2)c1 ZINC001157792203 1318864581 /nfs/dbraw/zinc/86/45/81/1318864581.db2.gz WUXCDDUWOQQPAH-UHFFFAOYSA-N -2 0 341.329 2.457 20 0 EEADRL CC(C)CCc1nnc(-c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)o1 ZINC001258357335 1319238139 /nfs/dbraw/zinc/23/81/39/1319238139.db2.gz SHZLEFRYJCRLMG-UHFFFAOYSA-N -2 0 340.357 2.270 20 0 EEADRL Cc1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)n1C ZINC001259214264 1319488764 /nfs/dbraw/zinc/48/87/64/1319488764.db2.gz KAFVUWKXFGGOBH-UHFFFAOYSA-N -2 0 347.755 2.020 20 0 EEADRL O=S(=O)(CCC(F)(F)F)[N-]c1ncc(Br)cc1[O-] ZINC001259866324 1319713411 /nfs/dbraw/zinc/71/34/11/1319713411.db2.gz XVGQIEDTTXLTEN-UHFFFAOYSA-N -2 0 349.128 2.244 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cnccc2OC(F)F)c1 ZINC001260184570 1319818484 /nfs/dbraw/zinc/81/84/84/1319818484.db2.gz QYNPHJISQSTVPB-UHFFFAOYSA-N -2 0 344.295 2.182 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(F)c(O)c2)c1 ZINC001260214943 1319833989 /nfs/dbraw/zinc/83/39/89/1319833989.db2.gz BUSAKAAIFFUGDF-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C#N)cc1C(=O)[O-] ZINC000391787516 1322980108 /nfs/dbraw/zinc/98/01/08/1322980108.db2.gz XDHXTYOKXHQTTF-UHFFFAOYSA-N -2 0 346.364 2.456 20 0 EEADRL CCCCCC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001605262269 1351118211 /nfs/dbraw/zinc/11/82/11/1351118211.db2.gz ZNOLIBYXOMAXGE-NSHDSACASA-N -2 0 347.389 2.022 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)c(C(=O)[O-])c1 ZINC001607821985 1351565609 /nfs/dbraw/zinc/56/56/09/1351565609.db2.gz NHPROMOVQFSYEO-UHFFFAOYSA-N -2 0 335.385 2.027 20 0 EEADRL Cn1cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1N1CCCC1 ZINC001608100736 1351625364 /nfs/dbraw/zinc/62/53/64/1351625364.db2.gz IKOYDJITCJCNOR-UHFFFAOYSA-N -2 0 349.412 2.124 20 0 EEADRL O=C([O-])CCCO[N-]C(=O)Cc1csc(CCC(F)(F)F)n1 ZINC001608716201 1351747619 /nfs/dbraw/zinc/74/76/19/1351747619.db2.gz BDRIMWINSRSXMP-UHFFFAOYSA-N -2 0 340.323 2.093 20 0 EEADRL O=C([O-])CCCO[N-]C(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC001608716375 1351748225 /nfs/dbraw/zinc/74/82/25/1351748225.db2.gz JVXHEPKVWYBACV-UHFFFAOYSA-N -2 0 338.360 2.404 20 0 EEADRL O=C([O-])CCc1csc(NC(=O)c2cc(F)c([O-])c(F)c2)n1 ZINC001608741029 1351753393 /nfs/dbraw/zinc/75/33/93/1351753393.db2.gz BVRZDFLIGHWYAQ-UHFFFAOYSA-N -2 0 328.296 2.396 20 0 EEADRL O=C([O-])CCc1cccc([N-]S(=O)(=O)c2cnn(C3CCC3)c2)c1 ZINC001608740144 1351753454 /nfs/dbraw/zinc/75/34/54/1351753454.db2.gz IBHQCSAANRTPPE-UHFFFAOYSA-N -2 0 349.412 2.426 20 0 EEADRL O=C([O-])c1ccc(F)c(NS(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001608895455 1351788989 /nfs/dbraw/zinc/78/89/89/1351788989.db2.gz AHWYVKPICVQGAV-UHFFFAOYSA-N -2 0 339.300 2.023 20 0 EEADRL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]c1cccc(CC(F)(F)F)c1 ZINC001608965741 1351803480 /nfs/dbraw/zinc/80/34/80/1351803480.db2.gz PCUZUUMMVNPMAW-UHFFFAOYSA-N -2 0 349.290 2.014 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)c1 ZINC001608991382 1351809840 /nfs/dbraw/zinc/80/98/40/1351809840.db2.gz SOVSIEGWDVXAKL-UHFFFAOYSA-N -2 0 336.369 2.379 20 0 EEADRL CC(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)cc1 ZINC001609104903 1351845034 /nfs/dbraw/zinc/84/50/34/1351845034.db2.gz WEHMJDJFASFPOP-UHFFFAOYSA-N -2 0 333.373 2.384 20 0 EEADRL C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2C(=O)[O-])C1 ZINC001609844736 1352099176 /nfs/dbraw/zinc/09/91/76/1352099176.db2.gz KYVGSZNOJMWLJD-IUCAKERBSA-N -2 0 345.804 2.279 20 0 EEADRL CC[C@@H](CC(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1)C(C)C ZINC001609913750 1352118687 /nfs/dbraw/zinc/11/86/87/1352118687.db2.gz XALIJXWTWZYMAA-NSHDSACASA-N -2 0 342.417 2.230 20 0 EEADRL CCCc1cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])ccc1Cl ZINC001609982446 1352134385 /nfs/dbraw/zinc/13/43/85/1352134385.db2.gz BQSZYYHVZFOWJO-UHFFFAOYSA-N -2 0 347.820 2.217 20 0 EEADRL Cc1csc([N-]S(=O)(=O)c2cccc3c2OCO3)c1C(=O)[O-] ZINC001610549013 1352243226 /nfs/dbraw/zinc/24/32/26/1352243226.db2.gz IDJAYJCQUBIRIM-UHFFFAOYSA-N -2 0 341.366 2.284 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cc(C2CC2)n1 ZINC001610558707 1352244509 /nfs/dbraw/zinc/24/45/09/1352244509.db2.gz VTNKYZRLAKHZBM-UHFFFAOYSA-N -2 0 347.396 2.090 20 0 EEADRL O=C([O-])[C@@H](CNC(=O)c1cc(O)ccc1Cl)Cc1ccncc1 ZINC001610685626 1352259932 /nfs/dbraw/zinc/25/99/32/1352259932.db2.gz ICUCRNKGPYKJLY-LLVKDONJSA-N -2 0 334.759 2.114 20 0 EEADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)C(F)=C1CCCC1 ZINC001610701838 1352261808 /nfs/dbraw/zinc/26/18/08/1352261808.db2.gz NCNYNDDOYAEIDM-UHFFFAOYSA-N -2 0 333.362 2.049 20 0 EEADRL O=C([O-])c1cnc(S(=O)(=O)CCc2cc(Cl)cc(Cl)c2)[n-]1 ZINC001610807975 1352278394 /nfs/dbraw/zinc/27/83/94/1352278394.db2.gz OBQYEGYRJCZXHW-UHFFFAOYSA-N -2 0 349.195 2.431 20 0 EEADRL O=C([O-])c1ccc(NC(=O)c2nn(-c3ccccc3F)cc2[O-])cn1 ZINC001610835157 1352282663 /nfs/dbraw/zinc/28/26/63/1352282663.db2.gz VCQQGXZVKOAQTM-UHFFFAOYSA-N -2 0 342.286 2.063 20 0 EEADRL CCC[C@@H](NC(=O)c1cc(Br)cc(F)c1[O-])C(=O)[O-] ZINC001595997242 1349900316 /nfs/dbraw/zinc/90/03/16/1349900316.db2.gz NQMGZKOHHKJZME-SECBINFHSA-N -2 0 334.141 2.277 20 0 EEADRL Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C(=O)[N-]OCc1ccccc1 ZINC001600153794 1349981247 /nfs/dbraw/zinc/98/12/47/1349981247.db2.gz RIWSCHQANIGWAP-UHFFFAOYSA-N -2 0 342.351 2.188 20 0 EEADRL Cc1cc(C2CC2)nc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])n1 ZINC001600182668 1349987358 /nfs/dbraw/zinc/98/73/58/1349987358.db2.gz MKMNVEVRJOPOGK-UHFFFAOYSA-N -2 0 347.396 2.470 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001600834550 1350147810 /nfs/dbraw/zinc/14/78/10/1350147810.db2.gz VHNIKFAGVVFZIT-IQJOONFLSA-N -2 0 343.401 2.163 20 0 EEADRL O=C([O-])[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1cccc(O)c1 ZINC001601396242 1350273786 /nfs/dbraw/zinc/27/37/86/1350273786.db2.gz CLWUECGENKTOSL-LBPRGKRZSA-N -2 0 341.241 2.071 20 0 EEADRL O=C([O-])C1CC2(C1)C[C@@H](NC(=O)c1cccc(Cl)c1[O-])CCO2 ZINC001601444904 1350285174 /nfs/dbraw/zinc/28/51/74/1350285174.db2.gz VHMRDNWLKQPJNC-MAXPVNGDSA-N -2 0 339.775 2.188 20 0 EEADRL O=C([O-])[C@]1(F)CCN(Cc2cc(=O)oc3cc([O-])c(Cl)cc23)C1 ZINC001601716673 1350346746 /nfs/dbraw/zinc/34/67/46/1350346746.db2.gz APUOMZQJJBKGGD-HNNXBMFYSA-N -2 0 341.722 2.151 20 0 EEADRL O=C([O-])C1CC2(C1)CN(c1nccc3cc(F)ccc31)C[C@@H]2C(=O)[O-] ZINC001601784242 1350364150 /nfs/dbraw/zinc/36/41/50/1350364150.db2.gz ZLCVUTKVTBRPGN-NDBLMLTRSA-N -2 0 344.342 2.376 20 0 EEADRL O=C([O-])CCCCC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001601980194 1350410264 /nfs/dbraw/zinc/41/02/64/1350410264.db2.gz MLWHHEAPTAVIFA-ZDUSSCGKSA-N -2 0 331.727 2.366 20 0 EEADRL O=C([O-])c1cc(NS(=O)(=O)CCOCC2CCC2)c(F)cc1F ZINC001602287666 1350486164 /nfs/dbraw/zinc/48/61/64/1350486164.db2.gz TVUOXZNCSITVPX-UHFFFAOYSA-N -2 0 349.355 2.221 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnc3ccccc3c2)cn1 ZINC001602385575 1350507802 /nfs/dbraw/zinc/50/78/02/1350507802.db2.gz OECUOWRUMVJBHI-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL O=C([O-])c1cccc(CS(=O)(=O)NC2(C(F)F)CCCC2)c1 ZINC001602440268 1350520086 /nfs/dbraw/zinc/52/00/86/1350520086.db2.gz HJCLKRHFAKJPFE-UHFFFAOYSA-N -2 0 333.356 2.382 20 0 EEADRL O=C([O-])[C@]12CN(C(=O)c3c([O-])cc(F)cc3F)C[C@H]1CCCC2 ZINC001602621869 1350559408 /nfs/dbraw/zinc/55/94/08/1350559408.db2.gz FGBCQRGKMUIRGZ-JDNHERCYSA-N -2 0 325.311 2.387 20 0 EEADRL C[C@@](CC(=O)[O-])(NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C1CC1 ZINC001604088523 1350852176 /nfs/dbraw/zinc/85/21/76/1350852176.db2.gz RHLKEVFMEJFDJI-KRWDZBQOSA-N -2 0 347.346 2.090 20 0 EEADRL C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001604125125 1350866376 /nfs/dbraw/zinc/86/63/76/1350866376.db2.gz JBLILCQJBDVLFQ-SCSAIBSYSA-N -2 0 335.687 2.250 20 0 EEADRL CC1(C)CCC[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001604532831 1350956394 /nfs/dbraw/zinc/95/63/94/1350956394.db2.gz GTKFFEDWRLFUNC-ZDUSSCGKSA-N -2 0 339.413 2.157 20 0 EEADRL CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001604956294 1351038714 /nfs/dbraw/zinc/03/87/14/1351038714.db2.gz UEPSJEPEVPKMRI-SSDOTTSWSA-N -2 0 346.742 2.210 20 0 EEADRL CCC(CC)[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001605013845 1351054726 /nfs/dbraw/zinc/05/47/26/1351054726.db2.gz DFFARXORGORKQV-NSHDSACASA-N -2 0 341.429 2.403 20 0 EEADRL CC[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001605025313 1351058978 /nfs/dbraw/zinc/05/89/78/1351058978.db2.gz UMVHZTXOLSSYIV-LBPRGKRZSA-N -2 0 338.385 2.063 20 0 EEADRL CCc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])cc1Cl ZINC001605821687 1351228167 /nfs/dbraw/zinc/22/81/67/1351228167.db2.gz OHEBBWOVPIFOSB-UHFFFAOYSA-N -2 0 329.765 2.125 20 0 EEADRL COCc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnccc2C)c1 ZINC001606942180 1351380970 /nfs/dbraw/zinc/38/09/70/1351380970.db2.gz SWQAFUFGWDNGFU-UHFFFAOYSA-N -2 0 336.369 2.035 20 0 EEADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2noc(C(C)C)n2)c1C ZINC001607595033 1351521581 /nfs/dbraw/zinc/52/15/81/1351521581.db2.gz PLMVCHSUKMWFDP-UHFFFAOYSA-N -2 0 339.373 2.309 20 0 EEADRL Cc1[nH]c(C(=O)[O-])cc1C([O-])=CS(=O)(=O)Cc1ccccc1C ZINC001607883016 1351578093 /nfs/dbraw/zinc/57/80/93/1351578093.db2.gz JOJIBZNJWRTZJC-UHFFFAOYSA-N -2 0 335.381 2.127 20 0 EEADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001607936365 1351589313 /nfs/dbraw/zinc/58/93/13/1351589313.db2.gz DWTDSMZVNBDLMC-UHFFFAOYSA-N -2 0 347.755 2.318 20 0 EEADRL COC(C)(C)[C@H]1CCCN1C(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189877182 1368382384 /nfs/dbraw/zinc/38/23/84/1368382384.db2.gz HXRHRVVCHOMBPK-CYBMUJFWSA-N -2 0 343.316 2.188 20 0 EEADRL C[C@@H]1CCC[C@@H](CC(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000828238548 761131814 /nfs/dbraw/zinc/13/18/14/761131814.db2.gz JVYXNMAVPDIITN-NXEZZACHSA-N -2 0 345.442 2.468 20 0 EEADRL Cc1cc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)cnc1C(=O)[O-] ZINC001167940402 781037813 /nfs/dbraw/zinc/03/78/13/781037813.db2.gz VWCBRRJOEIQLCX-UHFFFAOYSA-N -2 0 348.295 2.173 20 0 EEADRL O=C([O-])C(F)(F)C[N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000905998762 783630282 /nfs/dbraw/zinc/63/02/82/783630282.db2.gz CJDBFUHAPVBYOE-UHFFFAOYSA-N -2 0 348.154 2.133 20 0 EEADRL O=C([O-])CC1(CNC(=O)c2cc(F)c([O-])c(Cl)c2)CCOCC1 ZINC000910120132 786478897 /nfs/dbraw/zinc/47/88/97/786478897.db2.gz MKTKGOJWIRNJPI-UHFFFAOYSA-N -2 0 345.754 2.186 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CC(C2CCC2)C2CCC2)C1 ZINC000910180987 786513848 /nfs/dbraw/zinc/51/38/48/786513848.db2.gz BBZVTHHOYVLJDI-ZFWWWQNUSA-N -2 0 337.416 2.369 20 0 EEADRL CC1(C)CCCC[C@@H]1CC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910182421 786514690 /nfs/dbraw/zinc/51/46/90/786514690.db2.gz HXNWPGZNXUXTON-UPJWGTAASA-N -2 0 325.405 2.369 20 0 EEADRL CC(C)(C)c1cccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1 ZINC000910183532 786515577 /nfs/dbraw/zinc/51/55/77/786515577.db2.gz MGSMLHPHTMROSG-GXTWGEPZSA-N -2 0 333.384 2.374 20 0 EEADRL Cc1cc(C)c(/C=C/C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1C ZINC000910184049 786515737 /nfs/dbraw/zinc/51/57/37/786515737.db2.gz PXWBOVASFLIFOM-HIFBNBFRSA-N -2 0 345.395 2.401 20 0 EEADRL CCc1sc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1C ZINC000910187084 786519451 /nfs/dbraw/zinc/51/94/51/786519451.db2.gz YUWYHXYRZMRVDH-NXEZZACHSA-N -2 0 325.386 2.009 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)CC/C=C\c2ccccc2)C1 ZINC000910187519 786519723 /nfs/dbraw/zinc/51/97/23/786519723.db2.gz DNNBNZJHKOBOMV-JFCGUDLGSA-N -2 0 331.368 2.256 20 0 EEADRL Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1Cl ZINC000910188244 786520464 /nfs/dbraw/zinc/52/04/64/786520464.db2.gz KHYISHLHKPPZKC-PWSUYJOCSA-N -2 0 325.748 2.038 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCc1cc(Cl)cs1 ZINC000910191177 786522721 /nfs/dbraw/zinc/52/27/21/786522721.db2.gz YBRAZCYJCAIMNJ-GZMMTYOYSA-N -2 0 345.804 2.111 20 0 EEADRL CC1(C)CCC(CC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])CC1 ZINC000910192105 786523536 /nfs/dbraw/zinc/52/35/36/786523536.db2.gz MQGSGVUGNKKDIB-CHWSQXEVSA-N -2 0 325.405 2.369 20 0 EEADRL O=C([O-])[C@@H](CC1CCOCC1)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000910450678 786778011 /nfs/dbraw/zinc/77/80/11/786778011.db2.gz CZYZVJOMDASUBL-GFCCVEGCSA-N -2 0 345.754 2.184 20 0 EEADRL O=C([O-])[C@H](CC1CCOCC1)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000910450683 786778558 /nfs/dbraw/zinc/77/85/58/786778558.db2.gz CZYZVJOMDASUBL-LBPRGKRZSA-N -2 0 345.754 2.184 20 0 EEADRL O=C([O-])/C=C/c1cccc(Nc2ccc(C(=O)NCC(=O)[O-])cc2)c1 ZINC001174497160 797771862 /nfs/dbraw/zinc/77/18/62/797771862.db2.gz IHIJYGHSIZZXOZ-RUDMXATFSA-N -2 0 340.335 2.342 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cccc3nccnc23)cc1C(=O)[O-] ZINC001184697761 802133465 /nfs/dbraw/zinc/13/34/65/802133465.db2.gz XYMMWTGMECYYGE-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL CCCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)cn1 ZINC000793400549 810321284 /nfs/dbraw/zinc/32/12/84/810321284.db2.gz KVBIJYHKZWCQKN-UHFFFAOYSA-N -2 0 341.364 2.240 20 0 EEADRL O=C([O-])/C=C\c1ccc(S(=O)(=O)[N-]c2nc3ccccc3[nH]2)cc1 ZINC000324767224 971154985 /nfs/dbraw/zinc/15/49/85/971154985.db2.gz WBIAVXADBHQAIU-YFHOEESVSA-N -2 0 343.364 2.462 20 0 EEADRL CCN(C(=O)c1cc(Br)c(F)cc1[O-])[C@@H](C)C(=O)[O-] ZINC001589704555 950266246 /nfs/dbraw/zinc/26/62/46/950266246.db2.gz BKVTWUCBSIVIIQ-LURJTMIESA-N -2 0 334.141 2.229 20 0 EEADRL C[C@H]1CCN(C(=O)c2cccc(Br)c2[O-])C[C@@H]1C(=O)[O-] ZINC001589350290 954075051 /nfs/dbraw/zinc/07/50/51/954075051.db2.gz IZSOBNRDURTZKP-WPRPVWTQSA-N -2 0 342.189 2.338 20 0 EEADRL CC(C)c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000863956005 955925606 /nfs/dbraw/zinc/92/56/06/955925606.db2.gz GRMZVJAIIPEPNT-OLZOCXBDSA-N -2 0 339.413 2.116 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Oc1ccccc1C(=O)[O-] ZINC000013026779 956907672 /nfs/dbraw/zinc/90/76/72/956907672.db2.gz BTOLLPHJGCCSQT-UHFFFAOYSA-N -2 0 336.321 2.159 20 0 EEADRL COCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1 ZINC000391461132 972338843 /nfs/dbraw/zinc/33/88/43/972338843.db2.gz CRBJZTLTPBBKDV-UHFFFAOYSA-N -2 0 339.344 2.471 20 0 EEADRL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cn1 ZINC000205519268 959657819 /nfs/dbraw/zinc/65/78/19/959657819.db2.gz VDQGCYMBYGCMCS-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL O=C([O-])c1cnc(CCNC(=O)c2ccc(Cl)c([O-])c2)s1 ZINC001571174107 962080385 /nfs/dbraw/zinc/08/03/85/962080385.db2.gz HCGISAUGMYHXPF-UHFFFAOYSA-N -2 0 326.761 2.173 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)s1 ZINC000314420943 963750877 /nfs/dbraw/zinc/75/08/77/963750877.db2.gz DKCVQUXLQUJQJZ-UHFFFAOYSA-N -2 0 341.366 2.018 20 0 EEADRL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cn1 ZINC000314657434 963785846 /nfs/dbraw/zinc/78/58/46/963785846.db2.gz NJCPEFHPROTVQG-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL C[C@H](CC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])c1ccco1 ZINC001592258959 977498557 /nfs/dbraw/zinc/49/85/57/977498557.db2.gz MFVVCFOTENYNFB-MRVPVSSYSA-N -2 0 343.382 2.038 20 0 EEADRL C[C@H](CN(C(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C1CC1)C(=O)[O-] ZINC001592564134 978458127 /nfs/dbraw/zinc/45/81/27/978458127.db2.gz TUUKSABVGONTLF-SNVBAGLBSA-N -2 0 347.346 2.042 20 0 EEADRL CCCC(CCC)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001595587072 981538705 /nfs/dbraw/zinc/53/87/05/981538705.db2.gz ZVSLWZUOJKXAMQ-UHFFFAOYSA-N -2 0 333.431 2.468 20 0 EEADRL CC[C@H](C)C[C@@H](C)NC(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001594934903 982583795 /nfs/dbraw/zinc/58/37/95/982583795.db2.gz RKFROBXERUPADN-JPWNVOSASA-N -2 0 340.420 2.018 20 0 EEADRL CC[C@H](C)CCC(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001594957818 982693124 /nfs/dbraw/zinc/69/31/24/982693124.db2.gz NMRJYGQGKPDBAD-QMMMGPOBSA-N -2 0 349.355 2.294 20 0 EEADRL CC[C@H](C)CO[N-]C(=O)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001594965412 982721774 /nfs/dbraw/zinc/72/17/74/982721774.db2.gz VSEYRCAOFBHFCN-NSHDSACASA-N -2 0 336.388 2.081 20 0 EEADRL CCCc1ccc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001596060344 983368216 /nfs/dbraw/zinc/36/82/16/983368216.db2.gz BUGYKQZPQQNBPL-UHFFFAOYSA-N -2 0 337.353 2.049 20 0 EEADRL CCN(CCC(=O)[O-])C(=O)c1cc(Br)c(F)cc1[O-] ZINC001596307747 983736663 /nfs/dbraw/zinc/73/66/63/983736663.db2.gz UXWXWCRQVBJGES-UHFFFAOYSA-N -2 0 334.141 2.231 20 0 EEADRL C/C(=C/C(C)(C)C)C(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001588956478 984704295 /nfs/dbraw/zinc/70/42/95/984704295.db2.gz QJVQXZHZRSLSAB-CLFYSBASSA-N -2 0 329.374 2.084 20 0 EEADRL CC(=CCl)CS(=O)(=O)C(C)=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C ZINC001588991522 984914993 /nfs/dbraw/zinc/91/49/93/984914993.db2.gz XWGFILMPBIGPPV-BXKUYDPTSA-N -2 0 347.820 2.458 20 0 EEADRL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2coc(/C=C/C(=O)[O-])c2)C1 ZINC001589612018 987471144 /nfs/dbraw/zinc/47/11/44/987471144.db2.gz OJIVBENGWSEEST-BTDICHCPSA-N -2 0 335.356 2.340 20 0 EEADRL CC(C)(C)Cc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)o1 ZINC001589792824 988181576 /nfs/dbraw/zinc/18/15/76/988181576.db2.gz LPBVAOGOPNDWHD-UHFFFAOYSA-N -2 0 345.402 2.219 20 0 EEADRL CCc1ccncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC001597622961 988565684 /nfs/dbraw/zinc/56/56/84/988565684.db2.gz GUVKMNIRVKOHDK-UHFFFAOYSA-N -2 0 336.369 2.152 20 0 EEADRL CCc1csc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)n1 ZINC001597642024 988643130 /nfs/dbraw/zinc/64/31/30/988643130.db2.gz RLRKNLCZIYURHO-UHFFFAOYSA-N -2 0 326.399 2.133 20 0 EEADRL CCn1ncc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC001597957469 989971540 /nfs/dbraw/zinc/97/15/40/989971540.db2.gz WPDXMACQQVXRJM-UHFFFAOYSA-N -2 0 341.364 2.158 20 0 EEADRL CC(C)CCn1nccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001591277605 992203694 /nfs/dbraw/zinc/20/36/94/992203694.db2.gz YJMJMYILFJSWIK-UHFFFAOYSA-N -2 0 337.401 2.428 20 0 EEADRL COc1cccc(-c2nsc([N-]C(=O)c3cc(C(=O)[O-])no3)n2)c1 ZINC001599641929 994371888 /nfs/dbraw/zinc/37/18/88/994371888.db2.gz OAAYWVZIGKCHSR-UHFFFAOYSA-N -2 0 346.324 2.152 20 0 EEADRL COCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)nc1 ZINC001599292529 997087909 /nfs/dbraw/zinc/08/79/09/997087909.db2.gz CWNUSPORINCCCL-UHFFFAOYSA-N -2 0 336.369 2.035 20 0 EEADRL CC1(CC(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCCCC1 ZINC001593997778 997318875 /nfs/dbraw/zinc/31/88/75/997318875.db2.gz PJIQRXYLNYKCHK-UHFFFAOYSA-N -2 0 329.374 2.143 20 0 EEADRL COCCc1cc(=O)n(-c2cc(C(=O)[O-])ccc2Br)[n-]1 ZINC001599220608 997662051 /nfs/dbraw/zinc/66/20/51/997662051.db2.gz KFNMZRZIWTUNFS-UHFFFAOYSA-N -2 0 341.161 2.277 20 0 EEADRL COc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)C[C@H](CC(C)C)OC ZINC001599377789 998516410 /nfs/dbraw/zinc/51/64/10/998516410.db2.gz NVACQVNBBJEFKN-LBPRGKRZSA-N -2 0 345.417 2.196 20 0 EEADRL C[C@H]1CC[C@H](C(=O)[O-])CN1c1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001594297536 999147486 /nfs/dbraw/zinc/14/74/86/999147486.db2.gz XROMBYKBANRSNC-YUMQZZPRSA-N -2 0 332.278 2.488 20 0 EEADRL Cc1cc(C(=O)Nc2ccc3ccn(C)c3c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000174230986 255835470 /nfs/dbraw/zinc/83/54/70/255835470.db2.gz ZWSJEWVVJKQPLP-UHFFFAOYSA-N -2 0 349.350 2.076 20 0 EEADRL CCc1ncc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)s1 ZINC000359082987 164053841 /nfs/dbraw/zinc/05/38/41/164053841.db2.gz FGOFWGPPLWIPDN-UHFFFAOYSA-N -2 0 326.399 2.133 20 0 EEADRL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000275201365 274226516 /nfs/dbraw/zinc/22/65/16/274226516.db2.gz NWFWLEOJQNJCHJ-ZETCQYMHSA-N -2 0 339.335 2.272 20 0 EEADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(F)cc2F)c1O ZINC000317395486 311591890 /nfs/dbraw/zinc/59/18/90/311591890.db2.gz HHAIZYVNLOKKNI-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL Cc1cc(C(=O)Nc2ccc(Cl)cc2O)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000436804797 315000286 /nfs/dbraw/zinc/00/02/86/315000286.db2.gz CORMSXGWLGKQOB-UHFFFAOYSA-N -2 0 346.730 2.356 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C3CC3)n(C)n2)c(C)c1C(=O)[O-] ZINC000516123808 316535410 /nfs/dbraw/zinc/53/54/10/316535410.db2.gz NUAOEHJKDAVMMB-UHFFFAOYSA-N -2 0 349.412 2.413 20 0 EEADRL CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000442325407 323581900 /nfs/dbraw/zinc/58/19/00/323581900.db2.gz PLJMEXCHOKKTKF-UHFFFAOYSA-N -2 0 349.364 2.362 20 0 EEADRL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2scnc2C2CC2)c1 ZINC000580537630 324082069 /nfs/dbraw/zinc/08/20/69/324082069.db2.gz ZACQJKZHCZCHFM-UHFFFAOYSA-N -2 0 338.410 2.448 20 0 EEADRL Cc1nc2ccc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cc2s1 ZINC000075682583 462748935 /nfs/dbraw/zinc/74/89/35/462748935.db2.gz LTSUIVQOTZCESQ-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C(C)C)c1 ZINC000109420341 463642646 /nfs/dbraw/zinc/64/26/46/463642646.db2.gz LNSTZBWPTNLJHA-UHFFFAOYSA-N -2 0 329.403 2.333 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])s1 ZINC000229618878 464199149 /nfs/dbraw/zinc/19/91/49/464199149.db2.gz RJYMDLMVWOSNKH-UHFFFAOYSA-N -2 0 334.325 2.229 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cccc3c2OCO3)c(C(=O)[O-])c1 ZINC000337751284 465557871 /nfs/dbraw/zinc/55/78/71/465557871.db2.gz JGOGMTHGBDFOLQ-UHFFFAOYSA-N -2 0 335.337 2.223 20 0 EEADRL Cc1noc2ncc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3)cc12 ZINC000357160853 465822116 /nfs/dbraw/zinc/82/21/16/465822116.db2.gz VCCLMUNKXYQVIG-UHFFFAOYSA-N -2 0 333.325 2.030 20 0 EEADRL O=C([O-])C1CCN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)CC1 ZINC000580053759 468458273 /nfs/dbraw/zinc/45/82/73/468458273.db2.gz NVHXHDHOYFTFCR-UHFFFAOYSA-N -2 0 338.414 2.017 20 0 EEADRL Cc1ccc(N(C)S(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC000357555743 466128724 /nfs/dbraw/zinc/12/87/24/466128724.db2.gz XLLUTXBPNXJOQA-UHFFFAOYSA-N -2 0 349.364 2.217 20 0 EEADRL Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)ccc1C(=O)[O-] ZINC000349943461 466320992 /nfs/dbraw/zinc/32/09/92/466320992.db2.gz FLIRDDUBHUGILQ-UHFFFAOYSA-N -2 0 335.337 2.192 20 0 EEADRL Cc1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c(C(=O)[O-])c1 ZINC000354255952 466422443 /nfs/dbraw/zinc/42/24/43/466422443.db2.gz UCPWQNHBWWIBNM-UHFFFAOYSA-N -2 0 335.337 2.192 20 0 EEADRL COc1cc(S(=O)(=O)[N-]c2cnoc2C)c(Cl)cc1C(=O)[O-] ZINC000350314099 466457739 /nfs/dbraw/zinc/45/77/39/466457739.db2.gz HTCBZIZQFRFAPW-UHFFFAOYSA-N -2 0 346.748 2.144 20 0 EEADRL C[C@@H]([C@@H](NS(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-])C1CC1 ZINC000548990283 468164772 /nfs/dbraw/zinc/16/47/72/468164772.db2.gz FRLLSJDWAYLHCZ-JMCQJSRRSA-N -2 0 335.784 2.257 20 0 EEADRL O=C([O-])C[C@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C1 ZINC000663023796 472330447 /nfs/dbraw/zinc/33/04/47/472330447.db2.gz ZVQRWIDNSGTQRY-LLVKDONJSA-N -2 0 347.346 2.044 20 0 EEADRL O=C([O-])C[C@H](NC(=O)N(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000216683278 490699787 /nfs/dbraw/zinc/69/97/87/490699787.db2.gz KFZPDCWKDPNTQN-AWEZNQCLSA-N -2 0 328.324 2.462 20 0 EEADRL Cc1nn(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1C ZINC000738916044 576126228 /nfs/dbraw/zinc/12/62/28/576126228.db2.gz TVGUTHQOAXEDOJ-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cnn(C)c2C2CC2)sc1C(=O)[O-] ZINC000769869759 577586231 /nfs/dbraw/zinc/58/62/31/577586231.db2.gz RTEFJGBGVAOXAT-UHFFFAOYSA-N -2 0 341.414 2.166 20 0 EEADRL Cc1cc(C)c([N-]S(=O)(=O)c2cnc(Cl)n2C)c(C(=O)[O-])c1 ZINC000759705373 577648178 /nfs/dbraw/zinc/64/81/78/577648178.db2.gz GUTQTMVEJHNZRC-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL CCCn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC000743263157 577882377 /nfs/dbraw/zinc/88/23/77/577882377.db2.gz FXHSYQGWWJIXNO-UHFFFAOYSA-N -2 0 343.792 2.446 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)nc1 ZINC000738632944 578022286 /nfs/dbraw/zinc/02/22/86/578022286.db2.gz QOMBADZHGLQPAF-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)o1 ZINC000740177153 578084140 /nfs/dbraw/zinc/08/41/40/578084140.db2.gz HOOVIPOOLZIKNF-UHFFFAOYSA-N -2 0 339.354 2.230 20 0 EEADRL CC(C)n1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cn1 ZINC000736532709 578209813 /nfs/dbraw/zinc/20/98/13/578209813.db2.gz LLRZKLPKYIJUQC-UHFFFAOYSA-N -2 0 345.327 2.241 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)c(F)c1 ZINC000405015244 599913471 /nfs/dbraw/zinc/91/34/71/599913471.db2.gz SYXANYYAVHFVNY-UHFFFAOYSA-N -2 0 330.362 2.019 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)cc1C ZINC000020432240 600050657 /nfs/dbraw/zinc/05/06/57/600050657.db2.gz FFJHUSGPAJWBOV-UHFFFAOYSA-N -2 0 326.399 2.188 20 0 EEADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)[O-] ZINC000077221293 600231667 /nfs/dbraw/zinc/23/16/67/600231667.db2.gz JKBOALCAXHNWJT-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL Cc1nc(-c2ccc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cc2)co1 ZINC000324858471 600673259 /nfs/dbraw/zinc/67/32/59/600673259.db2.gz ILYNBQOFXYALMY-UHFFFAOYSA-N -2 0 347.352 2.477 20 0 EEADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1C(=O)[O-] ZINC000831435053 600689463 /nfs/dbraw/zinc/68/94/63/600689463.db2.gz MLMVDKAIVAQKCC-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL O=C([O-])[C@@H]1CC12CCN(C(=O)c1ccc3[n-]c(=S)oc3c1)CC2 ZINC000833176940 600953026 /nfs/dbraw/zinc/95/30/26/600953026.db2.gz ADCPPWWYCPDEOR-JTQLQIEISA-N -2 0 332.381 2.443 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1C ZINC000320448663 601119909 /nfs/dbraw/zinc/11/99/09/601119909.db2.gz JLMJPCMHRABFHZ-UHFFFAOYSA-N -3 0 339.325 2.094 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)cc1C(=O)[O-] ZINC000833026652 601234092 /nfs/dbraw/zinc/23/40/92/601234092.db2.gz GUHVAXBYAGSXEO-UHFFFAOYSA-N -2 0 331.733 2.446 20 0 EEADRL COc1ccc(C)nc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000832265809 601362920 /nfs/dbraw/zinc/36/29/20/601362920.db2.gz SDASXGOHCZIPPI-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1nnc(C2CC2)s1 ZINC000832868346 601502829 /nfs/dbraw/zinc/50/28/29/601502829.db2.gz JRPMMZGTBMQXIW-UHFFFAOYSA-N -2 0 339.398 2.223 20 0 EEADRL CCCc1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)s1 ZINC000829573943 601503277 /nfs/dbraw/zinc/50/32/77/601503277.db2.gz LXUUZWRAGQXTOH-UHFFFAOYSA-N -2 0 333.416 2.051 20 0 EEADRL C[C@@H](CS(=O)(=O)Nc1ccc(C(C)(C)C)cc1C(=O)[O-])C(=O)[O-] ZINC000827571635 601614937 /nfs/dbraw/zinc/61/49/37/601614937.db2.gz OCZVRKNMFKPFQW-VIFPVBQESA-N -2 0 343.401 2.145 20 0 EEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)nc1C ZINC000391281476 601770976 /nfs/dbraw/zinc/77/09/76/601770976.db2.gz KWRDEYFGXDHRRT-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)cc1F ZINC000832887379 601881679 /nfs/dbraw/zinc/88/16/79/601881679.db2.gz UYCZLJJJXUWTBO-UHFFFAOYSA-N -2 0 330.312 2.111 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)n[nH]c1C1CC1 ZINC000832919292 602103837 /nfs/dbraw/zinc/10/38/37/602103837.db2.gz CCEJLKMOFMTILO-UHFFFAOYSA-N -2 0 335.385 2.403 20 0 EEADRL O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000833232825 604295070 /nfs/dbraw/zinc/29/50/70/604295070.db2.gz NXNIIZLUNFTJOP-JTQLQIEISA-N -2 0 345.754 2.281 20 0 EEADRL CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000827010338 604442526 /nfs/dbraw/zinc/44/25/26/604442526.db2.gz FCBVTGKHFIRYFM-LLVKDONJSA-N -2 0 338.385 2.067 20 0 EEADRL Cc1ccccc1S(=O)(=O)[N-]c1nc(CCC(=O)[O-])cs1 ZINC000832981656 604622871 /nfs/dbraw/zinc/62/28/71/604622871.db2.gz JIACGPCHGUAYKD-UHFFFAOYSA-N -2 0 326.399 2.270 20 0 EEADRL C[C@@]1([N-]S(=O)(=O)c2c(F)cccc2F)CCCC[C@@H]1C(=O)[O-] ZINC000833570385 604809078 /nfs/dbraw/zinc/80/90/78/604809078.db2.gz SEIAIPSYDNPXRY-YMTOWFKASA-N -2 0 333.356 2.277 20 0 EEADRL CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(N(C)C(=O)[O-])cc2)c1 ZINC000833513878 605185406 /nfs/dbraw/zinc/18/54/06/605185406.db2.gz YRXCXPRPIHEGHG-UHFFFAOYSA-N -2 0 338.389 2.379 20 0 EEADRL CC(C)(C)c1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)no1 ZINC000833451064 605585213 /nfs/dbraw/zinc/58/52/13/605585213.db2.gz OMWBLWXCWDHAAK-UHFFFAOYSA-N -2 0 343.336 2.005 20 0 EEADRL CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000863962020 1197938295 /nfs/dbraw/zinc/93/82/95/1197938295.db2.gz DNCXRZVQGFXMBZ-CHWSQXEVSA-N -2 0 341.429 2.331 20 0 EEADRL O=C(CSc1n[n-]c(=S)s1)[N-]OCCOc1ccccc1 ZINC000889448244 1204628200 /nfs/dbraw/zinc/62/82/00/1204628200.db2.gz WIYRKOFMUZPQMI-UHFFFAOYSA-N -2 0 343.455 2.046 20 0 EEADRL CCc1oncc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000800844199 1234666626 /nfs/dbraw/zinc/66/66/26/1234666626.db2.gz MXZDTGOZXQCJDU-UHFFFAOYSA-N -2 0 332.284 2.014 20 0 EEADRL O=C(Nc1n[nH]c2c1CCCC2)c1ccccc1OP(=O)([O-])[O-] ZINC001189871394 1280531162 /nfs/dbraw/zinc/53/11/62/1280531162.db2.gz NWKSFYLRSIMQNL-UHFFFAOYSA-N -2 0 337.272 2.012 20 0 EEADRL O=P([O-])([O-])Oc1ccc(O[C@@H]2CCCC3(C2)OCCO3)cc1 ZINC001234335943 1304882819 /nfs/dbraw/zinc/88/28/19/1304882819.db2.gz NSAPFMFXRKECHY-CYBMUJFWSA-N -2 0 330.273 2.223 20 0 EEADRL CCOC(=O)[C@H]1CCC[C@@H]1Oc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234338957 1304885359 /nfs/dbraw/zinc/88/53/59/1304885359.db2.gz MKLBPAFHNISFRF-STQMWFEESA-N -2 0 330.273 2.269 20 0 EEADRL O=C([O-])c1c(Cl)ccc(-c2cccc(S(=O)(=O)[O-])n2)c1F ZINC001236149665 1305512540 /nfs/dbraw/zinc/51/25/40/1305512540.db2.gz ZEROWOHXSQRWRN-UHFFFAOYSA-N -2 0 331.708 2.486 20 0 EEADRL CCOC(=O)c1cnc(CC)nc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242161104 1309622972 /nfs/dbraw/zinc/62/29/72/1309622972.db2.gz VUIBQCAIBHEKOD-UHFFFAOYSA-N -2 0 344.323 2.279 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n(C(C)(C)C)n1 ZINC001260221902 1319836750 /nfs/dbraw/zinc/83/67/50/1319836750.db2.gz ZLTIRERFSIQUCE-UHFFFAOYSA-N -2 0 337.401 2.446 20 0 EEADRL CC(=O)c1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cnc1C ZINC001260184736 1319818804 /nfs/dbraw/zinc/81/88/04/1319818804.db2.gz ZUBSCCUTKDIESZ-UHFFFAOYSA-N -2 0 334.353 2.092 20 0 EEADRL COC(=O)c1ccsc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260183371 1319818991 /nfs/dbraw/zinc/81/89/91/1319818991.db2.gz NOMCLEFSLBZJIX-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL Cc1c(O)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260215672 1319834702 /nfs/dbraw/zinc/83/47/02/1319834702.db2.gz PXPWPOHQLIXPIW-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL Cc1cc(Nc2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])c(C)o1 ZINC001210282611 1325229410 /nfs/dbraw/zinc/22/94/10/1325229410.db2.gz NKZUOHYNQHOJQL-UHFFFAOYSA-N -2 0 347.370 2.133 20 0 EEADRL O=C([O-])c1nnn(-c2ccccc2)c1NC(=O)c1cccc(F)c1[O-] ZINC001608495969 1351704330 /nfs/dbraw/zinc/70/43/30/1351704330.db2.gz IIEQYUQVRPTYJF-UHFFFAOYSA-N -2 0 342.286 2.063 20 0 EEADRL O=C([O-])c1ncsc1S(=O)(=O)N[C@H](C1CCC1)C1CCCC1 ZINC001602584083 1350551263 /nfs/dbraw/zinc/55/12/63/1350551263.db2.gz ZBMKMHZBNSGLTG-NSHDSACASA-N -2 0 344.458 2.479 20 0 EEADRL O=C([O-])CCCc1nc(CN2CC[C@@H](C(=O)[O-])c3ccccc32)no1 ZINC001608718942 1351748665 /nfs/dbraw/zinc/74/86/65/1351748665.db2.gz JUOBLJNIEJNAJT-GFCCVEGCSA-N -2 0 345.355 2.055 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)o2)c1 ZINC001608938656 1351798620 /nfs/dbraw/zinc/79/86/20/1351798620.db2.gz BTJJEYOFGJGGAE-UHFFFAOYSA-N -2 0 345.336 2.236 20 0 EEADRL CC(C)n1cnc(S(=O)(=O)[N-]c2ccc([C@@H](C)C(=O)[O-])cc2)c1 ZINC001609643188 1352048579 /nfs/dbraw/zinc/04/85/79/1352048579.db2.gz DNASQFKSGGVWFJ-LLVKDONJSA-N -2 0 337.401 2.453 20 0 EEADRL C[C@]1(C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CC=CCC1 ZINC001609810388 1352091300 /nfs/dbraw/zinc/09/13/00/1352091300.db2.gz KZLMZUQLQWVXNJ-INIZCTEOSA-N -2 0 337.397 2.077 20 0 EEADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1C ZINC001609911602 1352118085 /nfs/dbraw/zinc/11/80/85/1352118085.db2.gz SRWRPBRWYJHFDJ-QMMMGPOBSA-N -2 0 327.362 2.255 20 0 EEADRL CCc1oncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001610080082 1352158006 /nfs/dbraw/zinc/15/80/06/1352158006.db2.gz PNZSIXCXLNFVRH-UHFFFAOYSA-N -2 0 332.284 2.014 20 0 EEADRL CSc1cccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)n1 ZINC001610387626 1352214496 /nfs/dbraw/zinc/21/44/96/1352214496.db2.gz WPNBWIONXGHDDE-UHFFFAOYSA-N -2 0 338.410 2.231 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccc3ncsc3c2)c(C(=O)[O-])[nH]1 ZINC001610474464 1352228521 /nfs/dbraw/zinc/22/85/21/1352228521.db2.gz IONRUFWNFPNQON-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccon1 ZINC001610825117 1352281221 /nfs/dbraw/zinc/28/12/21/1352281221.db2.gz KSUIMTHOMCTRHR-UHFFFAOYSA-N -2 0 336.247 2.192 20 0 EEADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]c2n[nH]c3ccccc32)cc1 ZINC001610829609 1352281979 /nfs/dbraw/zinc/28/19/79/1352281979.db2.gz ICEKGQDMUCTKQU-UHFFFAOYSA-N -2 0 331.353 2.203 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)nn1 ZINC001610836105 1352282878 /nfs/dbraw/zinc/28/28/78/1352282878.db2.gz YSPPVKGJWQVQJB-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL Cc1ccc(CS(=O)(=O)[N-]C(=O)c2cccc(C(=O)[O-])c2)c(C)c1 ZINC001600422486 1350047852 /nfs/dbraw/zinc/04/78/52/1350047852.db2.gz ZGISHIAARBTGMP-UHFFFAOYSA-N -2 0 347.392 2.261 20 0 EEADRL Cc1ccc2cccc([N-]S(=O)(=O)c3cncc(C(=O)[O-])c3)c2n1 ZINC001600501067 1350067430 /nfs/dbraw/zinc/06/74/30/1350067430.db2.gz DUHLBQDTCJJACM-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ccnn1C1CCC1 ZINC001600654323 1350108448 /nfs/dbraw/zinc/10/84/48/1350108448.db2.gz CWOJEOMKZVXNEE-UHFFFAOYSA-N -2 0 341.414 2.477 20 0 EEADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)CCC1CCCCC1 ZINC001601263926 1350244676 /nfs/dbraw/zinc/24/46/76/1350244676.db2.gz XGESAMBUKPCUCU-UHFFFAOYSA-N -2 0 346.430 2.007 20 0 EEADRL O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C1 ZINC001601765177 1350359103 /nfs/dbraw/zinc/35/91/03/1350359103.db2.gz OGUJCOKBTCDZSS-ZJUUUORDSA-N -2 0 349.770 2.106 20 0 EEADRL O=C([O-])/C=C/c1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC001601885939 1350390464 /nfs/dbraw/zinc/39/04/64/1350390464.db2.gz PSRYUSLPRMAVMM-JXMROGBWSA-N -2 0 347.348 2.283 20 0 EEADRL O=C([O-])CC1(COC(=O)c2nn(-c3ccccc3F)cc2[O-])CC1 ZINC001601920983 1350397660 /nfs/dbraw/zinc/39/76/60/1350397660.db2.gz MAMBOBZMXBEEMP-UHFFFAOYSA-N -2 0 334.303 2.129 20 0 EEADRL O=C([O-])Cc1csc(NC(=O)c2c([O-])cnc3c(F)cccc32)n1 ZINC001602153295 1350453005 /nfs/dbraw/zinc/45/30/05/1350453005.db2.gz JHUVOANTUIKIHP-UHFFFAOYSA-N -2 0 347.327 2.415 20 0 EEADRL O=C([O-])[C@H]1CN(C(=O)[C@@H]2CC[C@@H](C(=O)[O-])CC2)C[C@@H]1c1ccccc1 ZINC001602214409 1350467865 /nfs/dbraw/zinc/46/78/65/1350467865.db2.gz MSTWYHYBHPXNFM-FPCVCCKLSA-N -2 0 345.395 2.204 20 0 EEADRL O=C([O-])c1cc2ccccc2cc1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001602304534 1350488962 /nfs/dbraw/zinc/48/89/62/1350488962.db2.gz WFVRZBZECWIEMW-KGLIPLIRSA-N -2 0 329.308 2.109 20 0 EEADRL O=C([O-])c1cc2ccccc2cc1NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])O1 ZINC001602304532 1350489069 /nfs/dbraw/zinc/48/90/69/1350489069.db2.gz WFVRZBZECWIEMW-KBPBESRZSA-N -2 0 329.308 2.109 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)o1 ZINC001602402014 1350510858 /nfs/dbraw/zinc/51/08/58/1350510858.db2.gz CYEQJKZYNQYFHI-UHFFFAOYSA-N -2 0 334.309 2.434 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)n2)cn1 ZINC001602401982 1350511059 /nfs/dbraw/zinc/51/10/59/1350511059.db2.gz ZNCYAFPICLGQIQ-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL O=C([O-])c1nccc2c1cccc2S(=O)(=O)[N-]c1cccc(F)n1 ZINC001602578456 1350550258 /nfs/dbraw/zinc/55/02/58/1350550258.db2.gz VLEBRWAAQXDLLZ-UHFFFAOYSA-N -2 0 347.327 2.268 20 0 EEADRL CC(C)Sc1ccc(C(=O)N(CCC(=O)[O-])CC(=O)[O-])cc1 ZINC001603960792 1350814240 /nfs/dbraw/zinc/81/42/40/1350814240.db2.gz MOBAJWHDODTDLX-UHFFFAOYSA-N -2 0 325.386 2.189 20 0 EEADRL CC1(C(=O)[O-])CCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC001604498912 1350949713 /nfs/dbraw/zinc/94/97/13/1350949713.db2.gz GPLCRQGFNMZRBP-UHFFFAOYSA-N -2 0 342.298 2.382 20 0 EEADRL Cc1cccc(C2(C(=O)[N-]Oc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC001605910263 1351251827 /nfs/dbraw/zinc/25/18/27/1351251827.db2.gz PPBUCYLGOWDLAV-UHFFFAOYSA-N -2 0 335.367 2.317 20 0 EEADRL COc1ccc([C@@H](NC(=O)c2cc(F)c([O-])c(F)c2)C(=O)[O-])cc1 ZINC001607227437 1351453691 /nfs/dbraw/zinc/45/36/91/1351453691.db2.gz KDEPFHSWQYOQNN-CYBMUJFWSA-N -2 0 337.278 2.235 20 0 EEADRL Cc1ccc2cc(OS(=O)(=O)c3cc(C(=O)[O-])n[n-]3)ccc2c1 ZINC001607834262 1351567876 /nfs/dbraw/zinc/56/78/76/1351567876.db2.gz VCQYJCHTJGXPPD-UHFFFAOYSA-N -2 0 332.337 2.337 20 0 EEADRL Cc1csc(C(=O)[O-])c1[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC001607924002 1351586564 /nfs/dbraw/zinc/58/65/64/1351586564.db2.gz UEDDHTGSSMZVMK-UHFFFAOYSA-N -2 0 349.821 2.251 20 0 EEADRL Cc1nc(N(C)Cc2nc(=O)c3sccc3[n-]2)ccc1C(=O)[O-] ZINC001607960066 1351593118 /nfs/dbraw/zinc/59/31/18/1351593118.db2.gz CJDCLMXEOVIELF-UHFFFAOYSA-N -2 0 330.369 2.435 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1OCC2 ZINC001185909521 1368173443 /nfs/dbraw/zinc/17/34/43/1368173443.db2.gz ZFNWIJLFJBFQNY-UHFFFAOYSA-N -2 0 333.365 2.429 20 0 EEADRL O=C(NCCOP(=O)([O-])[O-])c1ccc(Cc2ccccc2)cc1 ZINC001186545425 1368205158 /nfs/dbraw/zinc/20/51/58/1368205158.db2.gz ADAZSUGGMBAXHT-UHFFFAOYSA-N -2 0 335.296 2.117 20 0 EEADRL CCOC(=O)CCCc1cccc(NCCOP(=O)([O-])[O-])c1 ZINC001168596265 791048149 /nfs/dbraw/zinc/04/81/49/791048149.db2.gz SEDAQLCSMIMCDT-UHFFFAOYSA-N -2 0 331.305 2.094 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)C1CC(c2ccc(F)cc2)C1 ZINC000910180959 786513417 /nfs/dbraw/zinc/51/34/17/786513417.db2.gz AGWORHHVBLBNEU-LFUGVXIPSA-N -2 0 349.358 2.096 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)C2CC(c3ccc(F)cc3)C2)C1 ZINC000910180960 786513485 /nfs/dbraw/zinc/51/34/85/786513485.db2.gz AGWORHHVBLBNEU-LPXQKFACSA-N -2 0 349.358 2.096 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(C2CCC2)cc1 ZINC000910181944 786514379 /nfs/dbraw/zinc/51/43/79/786514379.db2.gz FVZSLBYSOGDTNP-LSDHHAIUSA-N -2 0 331.368 2.344 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cccc(Cl)c2Cl)C1 ZINC000910184828 786516678 /nfs/dbraw/zinc/51/66/78/786516678.db2.gz FVMPMJLFSRGEIQ-XCBNKYQSSA-N -2 0 346.166 2.383 20 0 EEADRL Cc1cc(Cl)cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1 ZINC000910190737 786523077 /nfs/dbraw/zinc/52/30/77/786523077.db2.gz CEYRLPKWDJNLFO-SKDRFNHKSA-N -2 0 325.748 2.038 20 0 EEADRL O=C([O-])C1CC2(C1)C[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)CCO2 ZINC000910615538 786908090 /nfs/dbraw/zinc/90/80/90/786908090.db2.gz KSMJNDNIGCWKRD-CSJGVYOVSA-N -2 0 339.775 2.188 20 0 EEADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(F)nc2)c1 ZINC000156365694 789083473 /nfs/dbraw/zinc/08/34/73/789083473.db2.gz QPMRPLPSRWAINE-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL CC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])c1C ZINC001148926065 792814186 /nfs/dbraw/zinc/81/41/86/792814186.db2.gz AUAVQLSEDBNCTR-UHFFFAOYSA-N -2 0 349.364 2.402 20 0 EEADRL Cc1cscc1Nc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-] ZINC001175768681 798226719 /nfs/dbraw/zinc/22/67/19/798226719.db2.gz GMMDTUUOPINECX-UHFFFAOYSA-N -2 0 349.411 2.294 20 0 EEADRL COC(=O)c1cc(O)c(F)cc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176243687 798392307 /nfs/dbraw/zinc/39/23/07/798392307.db2.gz BTSIEVAZQGERGV-UHFFFAOYSA-N -2 0 349.270 2.458 20 0 EEADRL CNC(=O)c1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1F ZINC001176244554 798393156 /nfs/dbraw/zinc/39/31/56/798393156.db2.gz MAGBESOONVQMAA-UHFFFAOYSA-N -2 0 332.287 2.325 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])c(F)c1 ZINC001611057908 970872328 /nfs/dbraw/zinc/87/23/28/970872328.db2.gz VNZNWYBQGCFJOJ-UHFFFAOYSA-N -2 0 339.344 2.262 20 0 EEADRL CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000038058572 957352589 /nfs/dbraw/zinc/35/25/89/957352589.db2.gz MRJUZWMEEKKEFX-UHFFFAOYSA-N -2 0 325.367 2.450 20 0 EEADRL N#CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1 ZINC000078976676 957754818 /nfs/dbraw/zinc/75/48/18/957754818.db2.gz YPPZRCSHYXJPIU-UHFFFAOYSA-N -2 0 334.328 2.391 20 0 EEADRL C[C@](NC(=O)c1s[n-]c(=O)c1Cl)(C(=O)[O-])c1ccccc1 ZINC001603244070 972401966 /nfs/dbraw/zinc/40/19/66/972401966.db2.gz ZXCCIGPUTBFXNT-CYBMUJFWSA-N -2 0 326.761 2.232 20 0 EEADRL CC(C)(C)CN(CC(=O)[O-])C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001588655964 960413138 /nfs/dbraw/zinc/41/31/38/960413138.db2.gz ZELGQXAFNLEGCC-UHFFFAOYSA-N -2 0 349.362 2.290 20 0 EEADRL O=C([O-])C1(C(=O)Nc2cccc(Cc3nn[nH]n3)c2)CCCCCC1 ZINC001574641362 962356196 /nfs/dbraw/zinc/35/61/96/962356196.db2.gz UQWVBZKTMJTTOM-UHFFFAOYSA-N -2 0 343.387 2.154 20 0 EEADRL O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1cc(F)cc(F)c1[O-] ZINC001571207700 962416949 /nfs/dbraw/zinc/41/69/49/962416949.db2.gz AHNNISNXQKVGPL-CQSZACIVSA-N -2 0 333.290 2.322 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2nc3ccccc3[nH]2)c1C(=O)[O-] ZINC000320548181 970677716 /nfs/dbraw/zinc/67/77/16/970677716.db2.gz FHYMQKVRLCFWCM-UHFFFAOYSA-N -2 0 335.341 2.272 20 0 EEADRL C[C@@H](CN(Cc1ccccc1)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)C(=O)[O-] ZINC001592605474 978551990 /nfs/dbraw/zinc/55/19/90/978551990.db2.gz LCWYTZOJFZEUQM-CFVMTHIKSA-N -2 0 333.384 2.237 20 0 EEADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1C ZINC001595026913 979139252 /nfs/dbraw/zinc/13/92/52/979139252.db2.gz NCIBRMXEWLZSIP-QMMMGPOBSA-N -2 0 327.362 2.255 20 0 EEADRL CC[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001595035357 979184056 /nfs/dbraw/zinc/18/40/56/979184056.db2.gz DJGSPKAZHCACLT-ZDUSSCGKSA-N -2 0 341.429 2.403 20 0 EEADRL CC(=O)c1cccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1O ZINC001589311399 986095532 /nfs/dbraw/zinc/09/55/32/986095532.db2.gz NWHOLCLUTYPQRJ-UHFFFAOYSA-N -2 0 341.366 2.155 20 0 EEADRL CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC001589699610 987785909 /nfs/dbraw/zinc/78/59/09/987785909.db2.gz MTFLVQYMKCSDPG-SNVBAGLBSA-N -2 0 328.390 2.236 20 0 EEADRL C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001599871262 989353312 /nfs/dbraw/zinc/35/33/12/989353312.db2.gz VXTJNXSRVFFHNU-HWPZZCPQSA-N -2 0 337.397 2.444 20 0 EEADRL CN(CCC(=O)[O-])C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001598469546 992003673 /nfs/dbraw/zinc/00/36/73/992003673.db2.gz JRGLMBNQNYSLDD-UHFFFAOYSA-N -2 0 346.339 2.242 20 0 EEADRL CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1s[n-]c(=O)c1Cl ZINC001598512930 992581662 /nfs/dbraw/zinc/58/16/62/992581662.db2.gz BYBCSOVBIKHTSG-UHFFFAOYSA-N -2 0 326.761 2.473 20 0 EEADRL C[C@@H]1CCC[C@@H]1CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001594357769 999352539 /nfs/dbraw/zinc/35/25/39/999352539.db2.gz OTBHJGXVKPWYCB-BXUZGUMPSA-N -2 0 339.413 2.157 20 0 EEADRL C[C@H]1CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001594364318 999376692 /nfs/dbraw/zinc/37/66/92/999376692.db2.gz YHNRALVTTHIZEM-VHSXEESVSA-N -2 0 345.442 2.468 20 0 EEADRL C[C@H]1CCN(C(=O)NCCCCCCCC(=O)[O-])C[C@@H]1C(=O)[O-] ZINC001594403546 999512587 /nfs/dbraw/zinc/51/25/87/999512587.db2.gz UIBJMGGIJGZWFB-STQMWFEESA-N -2 0 328.409 2.164 20 0 EEADRL CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(CC)c2)c1 ZINC000271103810 539699872 /nfs/dbraw/zinc/69/98/72/539699872.db2.gz ZEPFEWIMFRIYLW-UHFFFAOYSA-N -2 0 338.385 2.406 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)c[nH]1 ZINC000426003305 241197759 /nfs/dbraw/zinc/19/77/59/241197759.db2.gz JQCOZUDIHRFHKY-UHFFFAOYSA-N -2 0 334.353 2.033 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)ccc1F ZINC000159884982 143803656 /nfs/dbraw/zinc/80/36/56/143803656.db2.gz BNZBRBHLTOWQKJ-UHFFFAOYSA-N -2 0 331.346 2.395 20 0 EEADRL COCCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000322809378 160538594 /nfs/dbraw/zinc/53/85/94/160538594.db2.gz SYRYGCLNYKSVPI-UHFFFAOYSA-N -2 0 339.369 2.276 20 0 EEADRL O=C([O-])c1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000360190649 164254726 /nfs/dbraw/zinc/25/47/26/164254726.db2.gz WJPRDJVZHSWODI-UHFFFAOYSA-N -2 0 339.300 2.023 20 0 EEADRL COc1ccsc1S(=O)(=O)N[C@H]1CCCC[C@@H]1CCC(=O)[O-] ZINC000297353147 294219887 /nfs/dbraw/zinc/21/98/87/294219887.db2.gz ZGXSNZCTZPBPQV-MNOVXSKESA-N -2 0 347.458 2.459 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c(F)c1 ZINC000436952275 315016230 /nfs/dbraw/zinc/01/62/30/315016230.db2.gz WBLQPCHNTLKZHD-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3O)ccc2O1 ZINC000436997596 315021572 /nfs/dbraw/zinc/02/15/72/315021572.db2.gz WRLCBIUZHDCPPB-SECBINFHSA-N -2 0 349.364 2.215 20 0 EEADRL O=C([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000044260327 463672230 /nfs/dbraw/zinc/67/22/30/463672230.db2.gz FGVWQRKMTCXQQE-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL COc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1O ZINC000350873307 465031092 /nfs/dbraw/zinc/03/10/92/465031092.db2.gz XRAOAXPIEJHHBO-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL Cc1nc(C)c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)s1 ZINC000088545763 462636016 /nfs/dbraw/zinc/63/60/16/462636016.db2.gz JEJLNHSLKUQQEN-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL COc1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-] ZINC000047030371 462736868 /nfs/dbraw/zinc/73/68/68/462736868.db2.gz QLSYLPGJAZQENG-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)sc1C(=O)[O-] ZINC000055548556 463330860 /nfs/dbraw/zinc/33/08/60/463330860.db2.gz YTFGGMWCYDBVJT-UHFFFAOYSA-N -3 0 341.366 2.254 20 0 EEADRL COCc1cccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000070156572 463374184 /nfs/dbraw/zinc/37/41/84/463374184.db2.gz LWANBIVZESYAMR-UHFFFAOYSA-N -2 0 327.383 2.394 20 0 EEADRL CCc1ccc(S(=O)(=O)[N-]c2cnc(CC)nc2)cc1C(=O)[O-] ZINC000269660869 464051227 /nfs/dbraw/zinc/05/12/27/464051227.db2.gz JRDDCOCGPJNHDH-UHFFFAOYSA-N -2 0 335.385 2.100 20 0 EEADRL Cc1noc2ncc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])c(C)c3)cc12 ZINC000342961343 465416807 /nfs/dbraw/zinc/41/68/07/465416807.db2.gz QZJCKYGPXLCPEG-UHFFFAOYSA-N -2 0 347.352 2.339 20 0 EEADRL COc1ncccc1[N-]S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000348478953 465628062 /nfs/dbraw/zinc/62/80/62/465628062.db2.gz SWWACTGMUNHUND-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL CCc1onc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000340128996 465793782 /nfs/dbraw/zinc/79/37/82/465793782.db2.gz LPRDRRKALMPROX-UHFFFAOYSA-N -2 0 328.321 2.184 20 0 EEADRL CCN(c1ccc(O)cc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000357493883 466079367 /nfs/dbraw/zinc/07/93/67/466079367.db2.gz LHUUZBBJKGENFJ-UHFFFAOYSA-N -2 0 337.353 2.011 20 0 EEADRL Cn1cnc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2C(=O)[O-])c1 ZINC000357534706 466110035 /nfs/dbraw/zinc/11/00/35/466110035.db2.gz DRDXFOGYTWPGJN-UHFFFAOYSA-N -2 0 337.401 2.217 20 0 EEADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccccc2F)c1 ZINC000317098542 466578284 /nfs/dbraw/zinc/57/82/84/466578284.db2.gz FGRKJWUKLGVJMJ-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccc(C)nc1 ZINC000350832563 466619482 /nfs/dbraw/zinc/61/94/82/466619482.db2.gz ODFLTULDHAPMQD-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL Cc1oc(S(=O)(=O)N[C@H]2CCOC3(CCCC3)C2)cc1C(=O)[O-] ZINC000645987763 470483462 /nfs/dbraw/zinc/48/34/62/470483462.db2.gz FDVUJXIZIPCIBB-NSHDSACASA-N -2 0 343.401 2.056 20 0 EEADRL CC(C)[C@H](CNc1cc(NC[C@@H](C(=O)[O-])C(C)C)ncn1)C(=O)[O-] ZINC000662883199 472289948 /nfs/dbraw/zinc/28/99/48/472289948.db2.gz MPMBWWSWKCFAFU-TXEJJXNPSA-N -2 0 338.408 2.014 20 0 EEADRL CSc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)nc1 ZINC000738145306 578000870 /nfs/dbraw/zinc/00/08/70/578000870.db2.gz JOGMZZUCUMQSJU-UHFFFAOYSA-N -2 0 342.373 2.442 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccccc1CC(=O)[O-] ZINC000818801475 596976103 /nfs/dbraw/zinc/97/61/03/596976103.db2.gz ZFBLBBOOJXPCEJ-UHFFFAOYSA-N -2 0 349.364 2.121 20 0 EEADRL COc1ccsc1S(=O)(=O)[N-]c1ccccc1CC(=O)[O-] ZINC000818635815 597042362 /nfs/dbraw/zinc/04/23/62/597042362.db2.gz SOWGRHKYBFJRTP-UHFFFAOYSA-N -2 0 327.383 2.185 20 0 EEADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2nc(C3CC3)cs2)cc1 ZINC000314849311 600243995 /nfs/dbraw/zinc/24/39/95/600243995.db2.gz WNUHODQWJJTLIG-UHFFFAOYSA-N -2 0 338.410 2.448 20 0 EEADRL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)C1CCCC1 ZINC000826008161 601141893 /nfs/dbraw/zinc/14/18/93/601141893.db2.gz DZZWGQQWPMKLLS-QMMMGPOBSA-N -2 0 331.415 2.078 20 0 EEADRL O=C([O-])c1cccc(NC(=O)CSc2n[n-]c(=S)s2)c1 ZINC000833116389 601195355 /nfs/dbraw/zinc/19/53/55/601195355.db2.gz TWGDYJICLNNGNR-UHFFFAOYSA-N -2 0 327.412 2.256 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2ccc(N(C)C)c(C)c2)cc1C(=O)[O-] ZINC000832898476 601230397 /nfs/dbraw/zinc/23/03/97/601230397.db2.gz MCDSVUUNAMDNTG-UHFFFAOYSA-N -2 0 338.385 2.461 20 0 EEADRL CC[C@](C)(CC(=O)[O-])NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC000828652386 601293658 /nfs/dbraw/zinc/29/36/58/601293658.db2.gz KPSWSZRAVPHNQK-QGZVFWFLSA-N -2 0 349.362 2.399 20 0 EEADRL CC(C)Cn1cc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cn1 ZINC000826918132 601333828 /nfs/dbraw/zinc/33/38/28/601333828.db2.gz WHEKUDJTNHPKBO-YVMONPNESA-N -2 0 349.412 2.438 20 0 EEADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000833335345 601361913 /nfs/dbraw/zinc/36/19/13/601361913.db2.gz SKFPTHFMPZPYPM-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL CCOc1cccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)n1 ZINC000830104813 601362413 /nfs/dbraw/zinc/36/24/13/601362413.db2.gz UWCTWMSAMONOBV-UHFFFAOYSA-N -2 0 328.371 2.041 20 0 EEADRL COc1ccc(C)nc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000832266024 601362656 /nfs/dbraw/zinc/36/26/56/601362656.db2.gz UTKHGMFJRQKGLF-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ccn2)ccc1F ZINC000236458736 601769044 /nfs/dbraw/zinc/76/90/44/601769044.db2.gz QWZDAMDHGCTUDM-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])c1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000833343962 602117239 /nfs/dbraw/zinc/11/72/39/602117239.db2.gz UXMLMDRSZDMOHR-UHFFFAOYSA-N -3 0 333.368 2.007 20 0 EEADRL CCc1nn(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000091021810 605006559 /nfs/dbraw/zinc/00/65/59/605006559.db2.gz AGTGGYMSMOQANT-UHFFFAOYSA-N -2 0 343.792 2.135 20 0 EEADRL CCc1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2CC)n1 ZINC000833676623 605448032 /nfs/dbraw/zinc/44/80/32/605448032.db2.gz PHGNQKXYTFJXEP-UHFFFAOYSA-N -2 0 330.387 2.360 20 0 EEADRL CC(C)(C)c1nc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])no1 ZINC000833451058 605584729 /nfs/dbraw/zinc/58/47/29/605584729.db2.gz OLAYJYDOVSUZHG-UHFFFAOYSA-N -2 0 343.336 2.005 20 0 EEADRL CC(C)(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000863957006 1197936299 /nfs/dbraw/zinc/93/62/99/1197936299.db2.gz RGEFGOFOMCGSLQ-LLVKDONJSA-N -2 0 347.820 2.033 20 0 EEADRL Cc1cnn(C)c1S(=O)(=O)[N-]c1cc2ccccc2c(C(=O)[O-])c1 ZINC000794763157 1197942921 /nfs/dbraw/zinc/94/29/21/1197942921.db2.gz XDHKVLWXSZJCJK-UHFFFAOYSA-N -2 0 345.380 2.381 20 0 EEADRL CCOc1cncc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1 ZINC001186144543 1278968352 /nfs/dbraw/zinc/96/83/52/1278968352.db2.gz ZGPJTMZHOYSNAY-UHFFFAOYSA-N -2 0 340.332 2.118 20 0 EEADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cnnc(Cl)c2)c1 ZINC001187545574 1279579073 /nfs/dbraw/zinc/57/90/73/1279579073.db2.gz PQHWWHHRKJIRPP-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL CC(C)(C)[C@@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2c[nH]cn2)cc1 ZINC001187762589 1279645338 /nfs/dbraw/zinc/64/53/38/1279645338.db2.gz QKGGRXUBCZJNTI-CYBMUJFWSA-N -2 0 337.401 2.425 20 0 EEADRL O=C(N[C@@H]1CCCc2cccnc21)c1ccccc1OP(=O)([O-])[O-] ZINC001189900261 1280570311 /nfs/dbraw/zinc/57/03/11/1280570311.db2.gz XDSNKPNJXDDBCZ-CYBMUJFWSA-N -2 0 348.295 2.361 20 0 EEADRL CC1(c2cccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)n2)OCCO1 ZINC001242161927 1309624168 /nfs/dbraw/zinc/62/41/68/1309624168.db2.gz ORWVMFHYAFOKNR-UHFFFAOYSA-N -2 0 329.308 2.365 20 0 EEADRL O=C([O-])CCC(=O)Nc1ccc(-c2cccc(S(=O)(=O)[O-])c2)cc1 ZINC001244039470 1309902289 /nfs/dbraw/zinc/90/22/89/1309902289.db2.gz FUDLTVSEXFJFPC-UHFFFAOYSA-N -2 0 349.364 2.404 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cncc(O)c2)c(F)cc1Cl ZINC001259213378 1319489026 /nfs/dbraw/zinc/48/90/26/1319489026.db2.gz PZBRSFLEXWEGRE-UHFFFAOYSA-N -2 0 346.723 2.079 20 0 EEADRL Cc1ncncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259213456 1319489129 /nfs/dbraw/zinc/48/91/29/1319489129.db2.gz UUEVYTNLKUXBPA-UHFFFAOYSA-N -2 0 345.739 2.077 20 0 EEADRL COc1ccc(OCCCS(=O)(=O)[N-]c2ncccc2O)cc1 ZINC001259642735 1319638261 /nfs/dbraw/zinc/63/82/61/1319638261.db2.gz NXIHPMYBCSHROK-UHFFFAOYSA-N -2 0 338.385 2.007 20 0 EEADRL Cn1ncc2c1cccc2[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260189481 1319819731 /nfs/dbraw/zinc/81/97/31/1319819731.db2.gz FCTRNVODYWDKEQ-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL Cc1ccc(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)c(C(=O)[O-])c1 ZINC001600483107 1350062330 /nfs/dbraw/zinc/06/23/30/1350062330.db2.gz DKCYYYUBHAZSSW-UHFFFAOYSA-N -2 0 349.364 2.121 20 0 EEADRL O=C([O-])[C@H](CS(=O)(=O)[N-]c1cnoc1C1CC1)c1ccccc1 ZINC001608539626 1351712623 /nfs/dbraw/zinc/71/26/23/1351712623.db2.gz GORFMFGDDCCFPT-GFCCVEGCSA-N -2 0 336.369 2.162 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2c3c(nn2C)CCCC3)ccc1C(=O)[O-] ZINC001607708294 1351543775 /nfs/dbraw/zinc/54/37/75/1351543775.db2.gz ONJVCQONKYLQJZ-UHFFFAOYSA-N -2 0 349.412 2.106 20 0 EEADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2c(F)cccc2Cl)n1 ZINC001608786942 1351763542 /nfs/dbraw/zinc/76/35/42/1351763542.db2.gz CGHIKDFEHRWMIE-UHFFFAOYSA-N -2 0 344.751 2.302 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nc(C3CCC3)cs2)cn1 ZINC001608914032 1351792789 /nfs/dbraw/zinc/79/27/89/1351792789.db2.gz UQHINNBAVYDPDW-UHFFFAOYSA-N -2 0 339.398 2.305 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)c1 ZINC001608990969 1351809478 /nfs/dbraw/zinc/80/94/78/1351809478.db2.gz XKURVOQPZZNKFU-UHFFFAOYSA-N -2 0 336.369 2.379 20 0 EEADRL COc1ccccc1C[C@H](CNC(=O)c1cc(F)ccc1O)C(=O)[O-] ZINC001610367045 1352211630 /nfs/dbraw/zinc/21/16/30/1352211630.db2.gz KBYMGTUIYQBUOO-GFCCVEGCSA-N -2 0 347.342 2.213 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CC[C@@H](C(=O)[O-])C3)o1 ZINC001610514109 1352236678 /nfs/dbraw/zinc/23/66/78/1352236678.db2.gz KTTVEFQSIFJXEI-MRVPVSSYSA-N -2 0 342.398 2.035 20 0 EEADRL Cc1ccc2sc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc2c1 ZINC001610516466 1352237023 /nfs/dbraw/zinc/23/70/23/1352237023.db2.gz KXQMQQGYMZCZHU-UHFFFAOYSA-N -2 0 341.410 2.134 20 0 EEADRL Cc1cccc(NS(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1C(=O)[O-] ZINC001610523979 1352238318 /nfs/dbraw/zinc/23/83/18/1352238318.db2.gz MZHHWUAMVUCUNI-ZYHUDNBSSA-N -2 0 341.385 2.078 20 0 EEADRL Cc1csc([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])n1 ZINC001610549153 1352242995 /nfs/dbraw/zinc/24/29/95/1352242995.db2.gz TUUAAOPYLDUIKL-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL Cc1nc(S(=O)(=O)[N-]c2cc(Cl)c(F)c(C(=O)[O-])c2)cn1C ZINC001610560645 1352244881 /nfs/dbraw/zinc/24/48/81/1352244881.db2.gz LKHMRLGXPJCWEG-UHFFFAOYSA-N -2 0 347.755 2.020 20 0 EEADRL O=C([O-])c1cccc(OCCOC(=O)c2cc(F)cc3n[nH]nc32)c1 ZINC001610849346 1352285095 /nfs/dbraw/zinc/28/50/95/1352285095.db2.gz KIJJSBCCWZZXFT-UHFFFAOYSA-N -2 0 345.286 2.031 20 0 EEADRL Cc1cc(Cl)cc(C)c1S(=O)(=O)[N-]c1ccn(CC(=O)[O-])n1 ZINC001600219120 1349995852 /nfs/dbraw/zinc/99/58/52/1349995852.db2.gz QRXSAIDYOWRZOJ-UHFFFAOYSA-N -2 0 343.792 2.039 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(C(=O)[O-])c2)c(C)c1 ZINC001600478529 1350061408 /nfs/dbraw/zinc/06/14/08/1350061408.db2.gz ZAFRPGNIBVDMNV-UHFFFAOYSA-N -2 0 333.365 2.120 20 0 EEADRL Cc1cccc([C@H](C)C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001600512942 1350069916 /nfs/dbraw/zinc/06/99/16/1350069916.db2.gz MFZRLTHONXGKJO-LBPRGKRZSA-N -2 0 347.392 2.302 20 0 EEADRL Cc1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)n1 ZINC001600662309 1350112833 /nfs/dbraw/zinc/11/28/33/1350112833.db2.gz GJUZGPXMYKGFNP-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL Cc1csc(NC(=O)N2CCC(C)(C(=O)[O-])CC2)c1C(=O)[O-] ZINC001600664372 1350112883 /nfs/dbraw/zinc/11/28/83/1350112883.db2.gz ZQRUNCMUAOBHKT-UHFFFAOYSA-N -2 0 326.374 2.473 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)cc1C(=O)[O-] ZINC001600747233 1350127097 /nfs/dbraw/zinc/12/70/97/1350127097.db2.gz QXHGQRFKIIDDLR-UHFFFAOYSA-N -2 0 345.380 2.381 20 0 EEADRL Cn1[n-]c(C(=O)N[C@@H](CC(=O)[O-])c2ccc3ccccc3c2)cc1=O ZINC001600998545 1350185812 /nfs/dbraw/zinc/18/58/12/1350185812.db2.gz GRQQQMSYFHQLGG-AWEZNQCLSA-N -2 0 339.351 2.225 20 0 EEADRL O=C(C=Cc1ccc(C(=O)[O-])o1)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC001601237956 1350238754 /nfs/dbraw/zinc/23/87/54/1350238754.db2.gz ILTFIGVZNPKBOS-ALCCZGGFSA-N -2 0 340.295 2.120 20 0 EEADRL O=C([O-])C1CC2(C1)CN(c1nccc3ccc(F)cc31)C[C@H]2C(=O)[O-] ZINC001601782982 1350363859 /nfs/dbraw/zinc/36/38/59/1350363859.db2.gz VVPFFJDUBDDWLW-QNNTWYEPSA-N -2 0 344.342 2.376 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)Nc2cccc(Cl)c2)C1 ZINC001601791779 1350364980 /nfs/dbraw/zinc/36/49/80/1350364980.db2.gz BMSFEAWKYPXPEE-LDYMZIIASA-N -2 0 326.736 2.122 20 0 EEADRL O=C([O-])[C@H]1C[C@@H](S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)C1 ZINC001602221680 1350469758 /nfs/dbraw/zinc/46/97/58/1350469758.db2.gz RTNNZBYWWDXPMO-AXFHLTTASA-N -2 0 337.319 2.073 20 0 EEADRL O=C([O-])c1cc(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])ccc1N1CCCCC1 ZINC001602283421 1350485726 /nfs/dbraw/zinc/48/57/26/1350485726.db2.gz NRFNHRNCFMIQAS-NEPJUHHUSA-N -2 0 332.356 2.034 20 0 EEADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1cnc(Cl)cn1 ZINC001602363667 1350504560 /nfs/dbraw/zinc/50/45/60/1350504560.db2.gz WNBBBCKFQFYWAY-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccnn1C1CCC1 ZINC001602369853 1350505717 /nfs/dbraw/zinc/50/57/17/1350505717.db2.gz QYEGQRGZEXWYJO-UHFFFAOYSA-N -2 0 339.348 2.246 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc3c(cn2)CCCC3)cc1 ZINC001602401935 1350510897 /nfs/dbraw/zinc/51/08/97/1350510897.db2.gz SPISLFPZRVHFIS-UHFFFAOYSA-N -2 0 332.381 2.459 20 0 EEADRL O=C([O-])c1ncccc1S(=O)(=O)[N-]c1ccc([C@@H]2CCOC2)cc1 ZINC001602578736 1350550226 /nfs/dbraw/zinc/55/02/26/1350550226.db2.gz HSVLNHFEGRIXID-GFCCVEGCSA-N -2 0 348.380 2.085 20 0 EEADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc2ccccc2c1 ZINC001603188993 1350659565 /nfs/dbraw/zinc/65/95/65/1350659565.db2.gz PUXMKYZVRGWJBV-GHMZBOCLSA-N -2 0 335.381 2.009 20 0 EEADRL CC(C)(C)c1ccc([N-]S(=O)(=O)c2scnc2C(=O)[O-])cn1 ZINC001603540095 1350717516 /nfs/dbraw/zinc/71/75/16/1350717516.db2.gz KABQNEFCZZEKBF-UHFFFAOYSA-N -2 0 341.414 2.335 20 0 EEADRL CC(C)=C[C@@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1(C)C ZINC001603706948 1350746617 /nfs/dbraw/zinc/74/66/17/1350746617.db2.gz PEEVLDKHQLLPAK-PWSUYJOCSA-N -2 0 341.385 2.021 20 0 EEADRL C[C@@H]1CN(C(=O)Nc2cccc(CCC(=O)[O-])c2)CC[C@H]1C(=O)[O-] ZINC001604776031 1351000619 /nfs/dbraw/zinc/00/06/19/1351000619.db2.gz FFSTYNRPUVUSEQ-BXUZGUMPSA-N -2 0 334.372 2.278 20 0 EEADRL CCCc1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)n1 ZINC001605379538 1351148733 /nfs/dbraw/zinc/14/87/33/1351148733.db2.gz ZNPRFQRRDGXCHV-UHFFFAOYSA-N -2 0 330.387 2.496 20 0 EEADRL CCc1oc(C(=O)[O-])cc1Cn1[n-]c(=O)c(Cl)c(Cl)c1=O ZINC001605884156 1351246031 /nfs/dbraw/zinc/24/60/31/1351246031.db2.gz WMBFNPOUXSVIRY-UHFFFAOYSA-N -2 0 333.127 2.158 20 0 EEADRL CCn1nc(C)c(S(=O)(=O)[N-]c2cc(C)sc2C(=O)[O-])c1C ZINC001605939223 1351257075 /nfs/dbraw/zinc/25/70/75/1351257075.db2.gz ZUWDBSLOZXDRHQ-UHFFFAOYSA-N -2 0 343.430 2.389 20 0 EEADRL Cc1cc(C)c(C(=O)[O-])cc1NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC001607616421 1351525881 /nfs/dbraw/zinc/52/58/81/1351525881.db2.gz JYOMZLCKHLPKLC-UHFFFAOYSA-N -2 0 345.399 2.329 20 0 EEADRL Cc1cc(C=O)c([O-])c(C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)c1 ZINC001607633181 1351529590 /nfs/dbraw/zinc/52/95/90/1351529590.db2.gz GXOYPLBDKLXCOG-OAHLLOKOSA-N -2 0 341.319 2.006 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC001607820027 1351564816 /nfs/dbraw/zinc/56/48/16/1351564816.db2.gz XUURNVUVIALDRE-UHFFFAOYSA-N -2 0 347.392 2.131 20 0 EEADRL Cc1cnn(C)c1S(=O)(=O)[N-]c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001607917126 1351585088 /nfs/dbraw/zinc/58/50/88/1351585088.db2.gz UOIRDLGAEPLVFW-UHFFFAOYSA-N -2 0 347.755 2.020 20 0 EEADRL Cc1n[nH]c2cc([N-]S(=O)(=O)c3ccsc3C(=O)[O-])ccc12 ZINC001607938820 1351589599 /nfs/dbraw/zinc/58/95/99/1351589599.db2.gz BDUKYRZRVKNQFW-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)sc1C ZINC001607966203 1351594493 /nfs/dbraw/zinc/59/44/93/1351594493.db2.gz KHUWGAZAAAARTD-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL O=C([O-])c1ccc(C(=O)[O-])c(NS(=O)(=O)C2=CCCCC2)c1 ZINC001649929087 1353653315 /nfs/dbraw/zinc/65/33/15/1353653315.db2.gz HMSXKSHWYFHQKI-UHFFFAOYSA-N -2 0 325.342 2.283 20 0 EEADRL CCn1cnc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC001188282889 1368295181 /nfs/dbraw/zinc/29/51/81/1368295181.db2.gz YNXAMHZVUHTHPZ-UHFFFAOYSA-N -2 0 329.765 2.055 20 0 EEADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198779686 1368645540 /nfs/dbraw/zinc/64/55/40/1368645540.db2.gz UFEHMCKTSBEUOP-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL Cc1cccc(F)c1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000179919107 1405816734 /nfs/dbraw/zinc/81/67/34/1405816734.db2.gz PLAXZJGUUWGVCR-UHFFFAOYSA-N -2 0 328.303 2.032 20 0 EEADRL O=P([O-])([O-])OCCNc1cncc(SCc2ccccc2)n1 ZINC001168589755 790657120 /nfs/dbraw/zinc/65/71/20/790657120.db2.gz ONYLEGTZOKBFSD-UHFFFAOYSA-N -2 0 341.329 2.290 20 0 EEADRL O=C([O-])CCN(C(=O)c1cc(F)c([O-])c(Cl)c1)C1CCOCC1 ZINC000909027893 785936222 /nfs/dbraw/zinc/93/62/22/785936222.db2.gz OWGTWZZJEDBYSB-UHFFFAOYSA-N -2 0 345.754 2.281 20 0 EEADRL O=C([O-])CN(C(=O)c1nn(-c2cccc(F)c2)cc1[O-])C1CCCC1 ZINC000910061477 786423996 /nfs/dbraw/zinc/42/39/96/786423996.db2.gz MRVBIQLGUGQQAF-UHFFFAOYSA-N -2 0 347.346 2.186 20 0 EEADRL CC[C@H](Cc1cccc(C)c1)C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910182470 786514555 /nfs/dbraw/zinc/51/45/55/786514555.db2.gz IQSJVKSQVHDIKB-OWCLPIDISA-N -2 0 347.411 2.340 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000910186486 786518639 /nfs/dbraw/zinc/51/86/39/786518639.db2.gz SABSFOKJOKETLC-MWLCHTKSSA-N -2 0 345.273 2.095 20 0 EEADRL Cc1c(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cnn1[C@H]1CCOC1 ZINC001176238245 798390498 /nfs/dbraw/zinc/39/04/98/798390498.db2.gz PXCAOIHACRWZLW-ZDUSSCGKSA-N -2 0 331.328 2.293 20 0 EEADRL COc1ncc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1F ZINC001184664074 802124575 /nfs/dbraw/zinc/12/45/75/802124575.db2.gz MKGPGHDFVCHQLH-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL O=P([O-])([O-])OCCNC(F)(F)c1cc(Cl)ncc1Cl ZINC001157787373 810345023 /nfs/dbraw/zinc/34/50/23/810345023.db2.gz JBKQPGYQBIXQKH-UHFFFAOYSA-N -2 0 337.046 2.137 20 0 EEADRL Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000357010078 971530010 /nfs/dbraw/zinc/53/00/10/971530010.db2.gz BHKQIVBFKWIXFI-UHFFFAOYSA-N -2 0 349.364 2.121 20 0 EEADRL O=C([O-])C1(CNC(=O)c2cc(Cl)cc(Cl)c2[O-])CCOCC1 ZINC001594743808 953376609 /nfs/dbraw/zinc/37/66/09/953376609.db2.gz YAUJIDIIAMYFIH-UHFFFAOYSA-N -2 0 348.182 2.310 20 0 EEADRL O=C([O-])CC[C@@H](NC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000037591136 957313026 /nfs/dbraw/zinc/31/30/26/957313026.db2.gz FXCPJEBWMSVOFF-MRVPVSSYSA-N -2 0 335.143 2.433 20 0 EEADRL C[C@@H](C(=O)[O-])C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC001588584949 959296901 /nfs/dbraw/zinc/29/69/01/959296901.db2.gz JIJIAONCYCFZBN-LLVKDONJSA-N -2 0 348.380 2.147 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)n(C)n1 ZINC001259212386 960663897 /nfs/dbraw/zinc/66/38/97/960663897.db2.gz NRQUPBJPPPOSPC-UHFFFAOYSA-N -2 0 347.755 2.020 20 0 EEADRL N#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1F ZINC000307916950 963240236 /nfs/dbraw/zinc/24/02/36/963240236.db2.gz OXHFXLQMJIOARV-UHFFFAOYSA-N -2 0 326.330 2.258 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)NCC=C(Cl)Cl)c(F)c1 ZINC000407136783 973920239 /nfs/dbraw/zinc/92/02/39/973920239.db2.gz HMYOOPDDRRMFJE-UHFFFAOYSA-N -2 0 328.148 2.121 20 0 EEADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)c1nc(-c2cc(C(=O)[O-])co2)no1 ZINC001591861957 976159902 /nfs/dbraw/zinc/15/99/02/976159902.db2.gz QLQUJUKCCMZCLE-QMMMGPOBSA-N -2 0 347.249 2.403 20 0 EEADRL CC(C)(CNS(=O)(=O)c1cc(C(=O)[O-])ccn1)CC(F)(F)F ZINC000903504711 980963964 /nfs/dbraw/zinc/96/39/64/980963964.db2.gz YDYLLAXZICCXIM-UHFFFAOYSA-N -2 0 340.323 2.037 20 0 EEADRL CC[C@@](C)([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC001594853023 982105005 /nfs/dbraw/zinc/10/50/05/982105005.db2.gz CTNRKWBLUGRJLU-LLVKDONJSA-N -2 0 327.736 2.150 20 0 EEADRL CC[C@H](C)CO[N-]C(=O)C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001594964484 982719080 /nfs/dbraw/zinc/71/90/80/982719080.db2.gz JJRHRIZRXSOBQM-ZETCQYMHSA-N -2 0 328.390 2.096 20 0 EEADRL CCOc1ccncc1S(=O)(=O)[N-]c1sc(C)cc1C(=O)[O-] ZINC001597185665 987049981 /nfs/dbraw/zinc/04/99/81/987049981.db2.gz GJGBRJRESWRTBF-UHFFFAOYSA-N -2 0 342.398 2.349 20 0 EEADRL C[C@H](C(=O)[O-])c1cccc(NC(=O)C(C)(C)SCC(=O)[O-])c1 ZINC001589521579 987167009 /nfs/dbraw/zinc/16/70/09/987167009.db2.gz BKQOKTVOTUPYKA-VIFPVBQESA-N -2 0 325.386 2.410 20 0 EEADRL CCc1cc(C(=O)[O-])ccc1NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001597465431 987904701 /nfs/dbraw/zinc/90/47/01/987904701.db2.gz WKAMLDYHVSFJEN-UHFFFAOYSA-N -2 0 327.296 2.441 20 0 EEADRL CSc1cccc(NC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1 ZINC001599824584 988575551 /nfs/dbraw/zinc/57/55/51/988575551.db2.gz FPNYXROSSNJHMJ-SKDRFNHKSA-N -2 0 338.385 2.190 20 0 EEADRL CSc1cccc(NC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1 ZINC001599824581 988575710 /nfs/dbraw/zinc/57/57/10/988575710.db2.gz FPNYXROSSNJHMJ-BXKDBHETSA-N -2 0 338.385 2.190 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1OCO2 ZINC001597790462 989310508 /nfs/dbraw/zinc/31/05/08/989310508.db2.gz COEIDFPJFADXRB-UHFFFAOYSA-N -2 0 339.325 2.070 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2sc(C)cc2C(=O)[O-])nc1C ZINC001597899593 989770957 /nfs/dbraw/zinc/77/09/57/989770957.db2.gz MMOVPAIMEZPOHJ-UHFFFAOYSA-N -2 0 329.403 2.080 20 0 EEADRL CCn1ncc2ccc([N-]S(=O)(=O)c3cc(C)c(C(=O)[O-])o3)cc21 ZINC001597963176 989999685 /nfs/dbraw/zinc/99/96/85/989999685.db2.gz UPLWAIQIUUHBMQ-UHFFFAOYSA-N -2 0 349.368 2.457 20 0 EEADRL CC(C)CC(C)(C)CNC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC001591124660 991817680 /nfs/dbraw/zinc/81/76/80/991817680.db2.gz XRIJMLLJPQGDJM-NEPJUHHUSA-N -2 0 328.409 2.018 20 0 EEADRL CC(C)C[C@H](CNC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)C(=O)[O-] ZINC001591149213 991888499 /nfs/dbraw/zinc/88/84/99/991888499.db2.gz KCHRDMYEAFKIHI-UKRRQHHQSA-N -2 0 348.399 2.127 20 0 EEADRL Cc1[n-]n(-c2cc(F)ccc2Br)c(=O)c1CC(=O)[O-] ZINC001604616447 1120714888 /nfs/dbraw/zinc/71/48/88/1120714888.db2.gz VGEHDEAJBYSKTD-QMMMGPOBSA-N -2 0 329.125 2.402 20 0 EEADRL CC[C@](C)([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)C(F)(F)F ZINC001609897411 1124247102 /nfs/dbraw/zinc/24/71/02/1124247102.db2.gz RNICZHZZSQIXCN-VIFPVBQESA-N -2 0 331.337 2.456 20 0 EEADRL Cc1cc(Cl)cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1O ZINC000360230741 164263650 /nfs/dbraw/zinc/26/36/50/164263650.db2.gz NESUVUBHSZPZNH-UHFFFAOYSA-N -2 0 330.749 2.181 20 0 EEADRL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000318122838 311592793 /nfs/dbraw/zinc/59/27/93/311592793.db2.gz RGXFPKYQTPEYDJ-BXUZGUMPSA-N -2 0 333.356 2.277 20 0 EEADRL C[C@@H]1CCCc2nc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3)cn21 ZINC000416408657 313214899 /nfs/dbraw/zinc/21/48/99/313214899.db2.gz RFEXCBOAHKNPQL-SNVBAGLBSA-N -2 0 335.385 2.279 20 0 EEADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)Nc2ccc(F)c(F)c2F)c1 ZINC000436892233 315010221 /nfs/dbraw/zinc/01/02/21/315010221.db2.gz JDXRCAPJCYHUER-UHFFFAOYSA-N -2 0 347.270 2.309 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)nn1C ZINC000439056681 315065817 /nfs/dbraw/zinc/06/58/17/315065817.db2.gz OJHLTFJCEJXCNB-UHFFFAOYSA-N -2 0 337.401 2.351 20 0 EEADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000542731462 318137722 /nfs/dbraw/zinc/13/77/22/318137722.db2.gz QJPJFUXAKDNQKJ-UHFFFAOYSA-N -3 0 341.366 2.254 20 0 EEADRL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000547568361 318300074 /nfs/dbraw/zinc/30/00/74/318300074.db2.gz LZLUFIBUCVPJBL-SECBINFHSA-N -2 0 348.352 2.046 20 0 EEADRL COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000326701220 465043138 /nfs/dbraw/zinc/04/31/38/465043138.db2.gz VARJHAVZLNFICH-UHFFFAOYSA-N -2 0 349.364 2.281 20 0 EEADRL COC(=O)c1sccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000337174867 465228801 /nfs/dbraw/zinc/22/88/01/465228801.db2.gz ICYUWMUQXKCXQK-UHFFFAOYSA-N -2 0 347.395 2.095 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)cc1C(=O)[O-] ZINC000590695950 468309909 /nfs/dbraw/zinc/30/99/09/468309909.db2.gz JIXQOKVVERDEQH-UHFFFAOYSA-N -2 0 333.369 2.161 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(CC3CC3)c2)cc1C(=O)[O-] ZINC000076082350 462803046 /nfs/dbraw/zinc/80/30/46/462803046.db2.gz VTIGMRFGTXCELY-UHFFFAOYSA-N -2 0 335.385 2.101 20 0 EEADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000026546548 463166826 /nfs/dbraw/zinc/16/68/26/463166826.db2.gz OWCLDBSRUQWTGQ-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL COCc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000351828066 465386317 /nfs/dbraw/zinc/38/63/17/465386317.db2.gz TUYACEQCVWJRLN-UHFFFAOYSA-N -2 0 337.353 2.038 20 0 EEADRL COc1ncc(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000356483962 465412385 /nfs/dbraw/zinc/41/23/85/465412385.db2.gz GTFQGGWKZRWNCM-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL O=C([O-])[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000555128254 468460208 /nfs/dbraw/zinc/46/02/08/468460208.db2.gz CFQREBSPUOWEAF-MRVPVSSYSA-N -2 0 337.275 2.117 20 0 EEADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC000320307335 466607586 /nfs/dbraw/zinc/60/75/86/466607586.db2.gz TXOCPBJASQMKOH-UHFFFAOYSA-N -2 0 338.341 2.045 20 0 EEADRL Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000320706073 466612878 /nfs/dbraw/zinc/61/28/78/466612878.db2.gz OYVXKZVJFBYQAF-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2cccc(F)c2F)ccc1C(=O)[O-] ZINC000432780116 467263237 /nfs/dbraw/zinc/26/32/37/467263237.db2.gz MSGNHRFXZHHIAR-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000436670555 467550104 /nfs/dbraw/zinc/55/01/04/467550104.db2.gz FOZBSGTZFJFSRP-UHFFFAOYSA-N -2 0 349.364 2.402 20 0 EEADRL CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000442318182 467574001 /nfs/dbraw/zinc/57/40/01/467574001.db2.gz BAPAJRZCODQIJI-UHFFFAOYSA-N -2 0 349.364 2.362 20 0 EEADRL Cc1nn(C)c(C)c1-c1cc(=O)n(-c2cccc(C(=O)[O-])c2C)[n-]1 ZINC000634633224 470271722 /nfs/dbraw/zinc/27/17/22/470271722.db2.gz OEZSIEZDLIZPOS-UHFFFAOYSA-N -2 0 326.356 2.185 20 0 EEADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NC[C@@H](C(=O)[O-])C(C)C)n1 ZINC000655567875 471386127 /nfs/dbraw/zinc/38/61/27/471386127.db2.gz WVBQWOYBFWRRFU-GFCCVEGCSA-N -2 0 349.362 2.112 20 0 EEADRL O=C([O-])CCC1CCN(C(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC000659405524 471610492 /nfs/dbraw/zinc/61/04/92/471610492.db2.gz LFMVUDGTBIFSCQ-UHFFFAOYSA-N -2 0 334.372 2.171 20 0 EEADRL Cc1cc(C)cc(-c2n[n-]c(=NC(=O)NC[C@@H](C)C(=O)[O-])s2)c1 ZINC000653542498 471658849 /nfs/dbraw/zinc/65/88/49/471658849.db2.gz SGDBOVUNGQOAQK-SNVBAGLBSA-N -2 0 334.401 2.086 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCOC2 ZINC000656635706 471792280 /nfs/dbraw/zinc/79/22/80/471792280.db2.gz CWPQONHJPNXFCZ-UHFFFAOYSA-N -2 0 337.353 2.160 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c(O)c1 ZINC000527198503 485522641 /nfs/dbraw/zinc/52/26/41/485522641.db2.gz UIWYLTKBAYQQKH-UHFFFAOYSA-N -2 0 343.382 2.270 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnoc2)cc1C(F)(F)F ZINC000677233088 486397525 /nfs/dbraw/zinc/39/75/25/486397525.db2.gz BWWZKRUMLFJZFG-UHFFFAOYSA-N -2 0 336.247 2.192 20 0 EEADRL Cc1ccc(-n2[n-]nnc2=NCCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738501335 578017442 /nfs/dbraw/zinc/01/74/42/578017442.db2.gz KWWIBNHYTLKETJ-UHFFFAOYSA-N -2 0 338.371 2.137 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cnn(CC3CC3)c2)cccc1C(=O)[O-] ZINC000777624382 577483323 /nfs/dbraw/zinc/48/33/23/577483323.db2.gz QIEYVFKEVXJXOB-UHFFFAOYSA-N -2 0 335.385 2.101 20 0 EEADRL CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccn(CC(=O)[O-])n1 ZINC000736298987 578194007 /nfs/dbraw/zinc/19/40/07/578194007.db2.gz GOPJSBFFNKDKHS-UHFFFAOYSA-N -2 0 337.401 2.066 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnn2C2CCCCC2)c[nH]1 ZINC000833306210 600977310 /nfs/dbraw/zinc/97/73/10/600977310.db2.gz FNVNRDQNXPZCNZ-UHFFFAOYSA-N -2 0 338.389 2.215 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1O ZINC000832950604 601485405 /nfs/dbraw/zinc/48/54/05/601485405.db2.gz PBJIRBWKXWLRQX-UHFFFAOYSA-N -2 0 342.760 2.248 20 0 EEADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1nc2ccccc2s1 ZINC000833346531 601767080 /nfs/dbraw/zinc/76/70/80/601767080.db2.gz RGQZATVAFBGEEX-UHFFFAOYSA-N -2 0 341.395 2.252 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2csnc2C(=O)[O-])c(C)c1C ZINC000832468884 602155477 /nfs/dbraw/zinc/15/54/77/602155477.db2.gz RVYHWLNXIFTQMJ-UHFFFAOYSA-N -2 0 342.398 2.268 20 0 EEADRL CCc1nn(C)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000833678075 605007422 /nfs/dbraw/zinc/00/74/22/605007422.db2.gz KSGVOUUFUZHZKT-UHFFFAOYSA-N -2 0 343.792 2.135 20 0 EEADRL CC(C)n1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n1 ZINC000319682236 681810568 /nfs/dbraw/zinc/81/05/68/681810568.db2.gz QGLGTERSAXUXBZ-UHFFFAOYSA-N -2 0 327.337 2.102 20 0 EEADRL CCC(=O)c1ccc([O-])c([N-]S(=O)(=O)C[C@@H]2CCCOC2)c1 ZINC000812272794 1200608692 /nfs/dbraw/zinc/60/86/92/1200608692.db2.gz NPDIEHNRNIQUFW-LLVKDONJSA-N -2 0 327.402 2.153 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nccnc1C1CC1 ZINC001185875520 1278812688 /nfs/dbraw/zinc/81/26/88/1278812688.db2.gz DKIROPYRQVSOMT-UHFFFAOYSA-N -2 0 333.369 2.161 20 0 EEADRL CCn1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(C)n1 ZINC001188276780 1279826264 /nfs/dbraw/zinc/82/62/64/1279826264.db2.gz IYNJFNITQNYVHS-UHFFFAOYSA-N -2 0 343.792 2.364 20 0 EEADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cccc3nccn32)cc1 ZINC001192099921 1281796854 /nfs/dbraw/zinc/79/68/54/1281796854.db2.gz FSVLCJDZZPADFJ-UHFFFAOYSA-N -2 0 345.380 2.152 20 0 EEADRL Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1cc(=O)[n-]c(Cl)n1 ZINC001194260081 1282959483 /nfs/dbraw/zinc/95/94/83/1282959483.db2.gz JIDDJKHZZUETCA-UHFFFAOYSA-N -2 0 345.746 2.288 20 0 EEADRL COC(=O)c1cc(C(=O)Nc2c(Cl)ccc([O-])c2Cl)n[n-]1 ZINC001194288549 1282980625 /nfs/dbraw/zinc/98/06/25/1282980625.db2.gz ICHUHHLFSIKWGD-UHFFFAOYSA-N -2 0 330.127 2.461 20 0 EEADRL O=P([O-])([O-])c1ccc(-c2cc(F)cc(N3CCOCC3)c2)cc1 ZINC001222084954 1299334794 /nfs/dbraw/zinc/33/47/94/1299334794.db2.gz FSYRQJQBMPQKFN-UHFFFAOYSA-N -2 0 337.287 2.132 20 0 EEADRL CN(c1ccccc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1)S(C)(=O)=O ZINC001242162978 1309624220 /nfs/dbraw/zinc/62/42/20/1309624220.db2.gz NYEDGBZTTRTNCH-UHFFFAOYSA-N -2 0 349.364 2.146 20 0 EEADRL Cc1cc(-c2ccc(P(=O)([O-])[O-])cc2)ccc1N1CCOCC1 ZINC001242885512 1309730889 /nfs/dbraw/zinc/73/08/89/1309730889.db2.gz NVMYOOAWICFHAS-UHFFFAOYSA-N -2 0 333.324 2.302 20 0 EEADRL Cc1cc(-c2ccc3c(c2)C(=O)[N-]S3(=O)=O)cc(C)c1C(=O)[O-] ZINC001244946889 1310011163 /nfs/dbraw/zinc/01/11/63/1310011163.db2.gz TUYKQHBMKRRFGJ-UHFFFAOYSA-N -2 0 331.349 2.101 20 0 EEADRL O=c1cc(C2CC(F)(F)C2)[n-]n1-c1ccccc1S(=O)(=O)[O-] ZINC001245924155 1310189824 /nfs/dbraw/zinc/18/98/24/1310189824.db2.gz NGNHAKJCXJSSGF-UHFFFAOYSA-N -2 0 330.312 2.337 20 0 EEADRL Nc1cccc(-c2cc(=O)n(-c3ccccc3S(=O)(=O)[O-])[n-]2)c1 ZINC001245952877 1310195727 /nfs/dbraw/zinc/19/57/27/1310195727.db2.gz HONYOUWHQNBIHM-UHFFFAOYSA-N -2 0 331.353 2.074 20 0 EEADRL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cc([O-])c(F)c(F)c1 ZINC001258431597 1319258453 /nfs/dbraw/zinc/25/84/53/1319258453.db2.gz FGIAMFKYOKZNPO-UHFFFAOYSA-N -2 0 337.735 2.167 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2snc3cccnc32)c1 ZINC001260184659 1319817706 /nfs/dbraw/zinc/81/77/06/1319817706.db2.gz VWLJNFILYMJDFT-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL CC(=O)c1cccc(O)c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260190106 1319821696 /nfs/dbraw/zinc/82/16/96/1319821696.db2.gz AXSYONBJFZVOMX-UHFFFAOYSA-N -2 0 335.337 2.094 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3cnoc32)ccc1O ZINC001260400024 1319884017 /nfs/dbraw/zinc/88/40/17/1319884017.db2.gz GZZFWSGFFLJKPD-UHFFFAOYSA-N -2 0 334.309 2.032 20 0 EEADRL O=C([O-])c1ccc(OS(=O)(=O)c2cn[n-]c2Cl)c(Cl)c1 ZINC001602391635 1350509719 /nfs/dbraw/zinc/50/97/19/1350509719.db2.gz DCLVUTUQWVMBRO-UHFFFAOYSA-N -2 0 337.140 2.182 20 0 EEADRL O=C([O-])c1cncc(-c2ccc(C(=O)N3CCC[C@H]3C(=O)[O-])cc2)c1 ZINC001608979038 1351806983 /nfs/dbraw/zinc/80/69/83/1351806983.db2.gz GMROSXOKFRNAEL-HNNXBMFYSA-N -2 0 340.335 2.136 20 0 EEADRL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)F ZINC001609003711 1351812398 /nfs/dbraw/zinc/81/23/98/1351812398.db2.gz ZHCGLXMHGDEEOQ-QMMMGPOBSA-N -2 0 348.352 2.126 20 0 EEADRL COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)CC1(CC(=O)[O-])CCC1 ZINC001610212122 1352186583 /nfs/dbraw/zinc/18/65/83/1352186583.db2.gz OGUUBKSFQZFSAE-UHFFFAOYSA-N -2 0 349.339 2.145 20 0 EEADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cc(O)ccc2C(=O)[O-])cc1F ZINC001610469880 1352227781 /nfs/dbraw/zinc/22/77/81/1352227781.db2.gz HDCXJDBEDFLUDX-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL Cc1cc(Cl)ccc1NC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC001600220881 1349996086 /nfs/dbraw/zinc/99/60/86/1349996086.db2.gz IXCZWDJRRAXQJL-JOYOIKCWSA-N -2 0 340.763 2.430 20 0 EEADRL Cc1ccc(C2(C(=O)[N-]OCCCC(=O)[O-])CCOCC2)cc1C ZINC001600392809 1350039044 /nfs/dbraw/zinc/03/90/44/1350039044.db2.gz ZQJVOKUTNJXPIE-UHFFFAOYSA-N -2 0 335.400 2.264 20 0 EEADRL Cc1nn(C)c(C)c1-c1cc(=O)n(-c2ccc(C)c(C(=O)[O-])c2)[n-]1 ZINC001600438015 1350051220 /nfs/dbraw/zinc/05/12/20/1350051220.db2.gz FIFSIKFIHASLEB-UHFFFAOYSA-N -2 0 326.356 2.185 20 0 EEADRL Cc1ccn(-c2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)n1 ZINC001600594461 1350092698 /nfs/dbraw/zinc/09/26/98/1350092698.db2.gz CHGYRRHFTRMXCS-UHFFFAOYSA-N -2 0 347.352 2.273 20 0 EEADRL Cc1oc(C(=O)[O-])cc1C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001600825650 1350145721 /nfs/dbraw/zinc/14/57/21/1350145721.db2.gz MSZNMRATSAOLGF-KRWDZBQOSA-N -2 0 331.324 2.059 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(F)F)cn1 ZINC001600837255 1350148097 /nfs/dbraw/zinc/14/80/97/1350148097.db2.gz NECVJILTKFKRAV-UHFFFAOYSA-N -2 0 348.283 2.083 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccnn2C(C)(C)C)c1C(=O)[O-] ZINC001600838955 1350148488 /nfs/dbraw/zinc/14/84/88/1350148488.db2.gz XHDOMYZFQQPZFE-UHFFFAOYSA-N -2 0 341.389 2.347 20 0 EEADRL O=C([O-])[C@@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1ccc2c(c1)CCO2 ZINC001601399244 1350274700 /nfs/dbraw/zinc/27/47/00/1350274700.db2.gz RRYKFRYLAZWDPX-AWEZNQCLSA-N -2 0 349.289 2.161 20 0 EEADRL O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC001601569707 1350309110 /nfs/dbraw/zinc/30/91/10/1350309110.db2.gz PWZLIEYUSHOWTD-GXTWGEPZSA-N -2 0 335.743 2.171 20 0 EEADRL O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1s[n-]c(=O)c1Cl ZINC001601868745 1350386157 /nfs/dbraw/zinc/38/61/57/1350386157.db2.gz QKWOVBXYNSXZTD-SECBINFHSA-N -2 0 338.772 2.154 20 0 EEADRL O=C([O-])C[C@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC001601958782 1350405802 /nfs/dbraw/zinc/40/58/02/1350405802.db2.gz DZBOQZJHMYFICC-QMMMGPOBSA-N -2 0 334.155 2.015 20 0 EEADRL O=C([O-])CN(CCC(F)(F)F)C(=O)c1cc(F)cc(F)c1[O-] ZINC001602054279 1350428398 /nfs/dbraw/zinc/42/83/98/1350428398.db2.gz MHVBKEFXGDQQQQ-UHFFFAOYSA-N -2 0 327.205 2.150 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nc3cc(F)ccc3[nH]2)cs1 ZINC001602297544 1350487703 /nfs/dbraw/zinc/48/77/03/1350487703.db2.gz RPPVMUCNAMTIQD-UHFFFAOYSA-N -2 0 341.345 2.263 20 0 EEADRL O=C([O-])c1ccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)c(F)c1 ZINC001602325213 1350494390 /nfs/dbraw/zinc/49/43/90/1350494390.db2.gz ONEXJGOEAPITIQ-UHFFFAOYSA-N -2 0 342.286 2.267 20 0 EEADRL O=C([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(F)nc1 ZINC001602442735 1350520625 /nfs/dbraw/zinc/52/06/25/1350520625.db2.gz RGXCDAYSBDKRIS-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])c1nscc1[N-]S(=O)(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001602587198 1350552116 /nfs/dbraw/zinc/55/21/16/1350552116.db2.gz WQNYHAVAIGBTBN-MWLCHTKSSA-N -2 0 342.373 2.278 20 0 EEADRL CC(C)C[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001603768601 1350762092 /nfs/dbraw/zinc/76/20/92/1350762092.db2.gz RTPYKKMBZQNLII-LLVKDONJSA-N -2 0 327.402 2.013 20 0 EEADRL CCCc1c(C(=O)OCc2n[n-]c(C)cc2=O)[nH]c(C)c1C(=O)[O-] ZINC001605370940 1351146837 /nfs/dbraw/zinc/14/68/37/1351146837.db2.gz QBQHDTYQFBPLGR-UHFFFAOYSA-N -2 0 333.344 2.135 20 0 EEADRL CCCn1cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)cn1 ZINC001605388732 1351151263 /nfs/dbraw/zinc/15/12/63/1351151263.db2.gz MBUMAZHARKIJQW-UHFFFAOYSA-N -2 0 345.327 2.070 20 0 EEADRL Cn1ncc2c1cccc2[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198779661 1368645218 /nfs/dbraw/zinc/64/52/18/1368645218.db2.gz TVBPLQBKACJLKL-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL O=C([O-])c1cnn(C2CCN(C(=O)c3ccc([O-])c(Cl)c3)CC2)c1 ZINC000909826971 786259089 /nfs/dbraw/zinc/25/90/89/786259089.db2.gz CFJDWMDWPZVZPS-UHFFFAOYSA-N -2 0 349.774 2.418 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)C2CC(c3ccc(F)cc3)C2)C1 ZINC000910180958 786513863 /nfs/dbraw/zinc/51/38/63/786513863.db2.gz AGWORHHVBLBNEU-CLTVBZQCSA-N -2 0 349.358 2.096 20 0 EEADRL COc1ccc(N)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1C ZINC001174981535 797962646 /nfs/dbraw/zinc/96/26/46/797962646.db2.gz FOJLULOJJZRQNQ-UHFFFAOYSA-N -2 0 336.369 2.085 20 0 EEADRL O=C([O-])Cn1cc(Nc2ccc3ccccc3c2S(=O)(=O)[O-])cn1 ZINC001176270547 798414310 /nfs/dbraw/zinc/41/43/10/798414310.db2.gz BKXMQGUFKCNQBD-UHFFFAOYSA-N -2 0 347.352 2.111 20 0 EEADRL Cn1nc([N-]S(=O)(=O)/C=C\c2ccccc2Cl)cc1C(=O)[O-] ZINC000790004498 808328766 /nfs/dbraw/zinc/32/87/66/808328766.db2.gz BBRXQAWPKVGEFT-SREVYHEPSA-N -2 0 341.776 2.184 20 0 EEADRL O=C([O-])CC1(NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])CCC1 ZINC001601933642 971090737 /nfs/dbraw/zinc/09/07/37/971090737.db2.gz LZSXAPPKOAQHJK-UHFFFAOYSA-N -2 0 349.774 2.359 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cccc(Cl)n2)c1 ZINC000149704886 959023635 /nfs/dbraw/zinc/02/36/35/959023635.db2.gz LONDREUMBPNPEF-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL CCn1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259212523 960663253 /nfs/dbraw/zinc/66/32/53/960663253.db2.gz QHCUHLULQBWDKR-UHFFFAOYSA-N -2 0 347.755 2.195 20 0 EEADRL CC[C@@H](C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1[O-])C(=O)[O-] ZINC001571229108 962614144 /nfs/dbraw/zinc/61/41/44/962614144.db2.gz UOROVUSGDMHZBF-SCZZXKLOSA-N -2 0 335.809 2.213 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2ccc([C@H](C)C(=O)[O-])cc2)s1 ZINC000396475260 972899344 /nfs/dbraw/zinc/89/93/44/972899344.db2.gz ZZLJEKIKRMNDAK-QMMMGPOBSA-N -2 0 326.399 2.440 20 0 EEADRL CC(C)Oc1c(NC(=O)NCC2(C(=O)[O-])CC2)cccc1C(=O)[O-] ZINC001591747656 975796662 /nfs/dbraw/zinc/79/66/62/975796662.db2.gz VVUOJLZFQDBFRM-UHFFFAOYSA-N -2 0 336.344 2.158 20 0 EEADRL C[C@](CC(=O)[O-])(NC(=O)c1cc(F)cc(F)c1[O-])c1ccccn1 ZINC001592304717 977667036 /nfs/dbraw/zinc/66/70/36/977667036.db2.gz UQDJAHNDGZKENA-MRXNPFEDSA-N -2 0 336.294 2.185 20 0 EEADRL Cc1cc(C(=O)[O-])cc(C(=O)[N-]S(=O)(=O)C2CCCCC2)c1 ZINC000863953882 979676968 /nfs/dbraw/zinc/67/69/68/979676968.db2.gz CGRMRZWLQBFXFQ-UHFFFAOYSA-N -2 0 325.386 2.086 20 0 EEADRL CCC[C@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001595621529 981701186 /nfs/dbraw/zinc/70/11/86/981701186.db2.gz KACZQWOEPKZDCT-VHSXEESVSA-N -2 0 345.442 2.468 20 0 EEADRL CC[C@H](C)C[C@H](C)NC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001594934902 982583746 /nfs/dbraw/zinc/58/37/46/982583746.db2.gz RKFROBXERUPADN-INQAYGDOSA-N -2 0 340.420 2.018 20 0 EEADRL CCCc1ccc(S(=O)(=O)[N-]C(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001596068806 983382292 /nfs/dbraw/zinc/38/22/92/983382292.db2.gz LLRSXTXTFRKCQY-UHFFFAOYSA-N -2 0 337.353 2.049 20 0 EEADRL C/C(=C/C(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001588956443 984704335 /nfs/dbraw/zinc/70/43/35/984704335.db2.gz PAUJISVVHJSMIU-FPLPWBNLSA-N -2 0 331.415 2.244 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)[nH]nc1-c1ccccc1 ZINC001599969771 985984775 /nfs/dbraw/zinc/98/47/75/985984775.db2.gz SHSXQNHGSOPCNK-UHFFFAOYSA-N -2 0 346.368 2.212 20 0 EEADRL CCc1nc([N-]S(=O)(=O)c2cncc(Cl)c2)sc1C(=O)[O-] ZINC001597685550 988838376 /nfs/dbraw/zinc/83/83/76/988838376.db2.gz QLISWYGQWXBIQO-UHFFFAOYSA-N -2 0 347.805 2.253 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1O ZINC001597785251 989302747 /nfs/dbraw/zinc/30/27/47/989302747.db2.gz FQZATQZIXIYGEI-UHFFFAOYSA-N -2 0 329.305 2.186 20 0 EEADRL CC(C)(C)n1nccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001590604987 990269506 /nfs/dbraw/zinc/26/95/06/990269506.db2.gz HTYOZWMOOWRCAP-UHFFFAOYSA-N -2 0 341.364 2.276 20 0 EEADRL COc1cccc(-c2cc(C(=O)Nc3cc(C(=O)[O-])no3)on2)c1 ZINC001599639637 994338797 /nfs/dbraw/zinc/33/87/97/994338797.db2.gz RCRFOMHZYUJBCN-UHFFFAOYSA-N -2 0 329.268 2.289 20 0 EEADRL COc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1F ZINC001599394285 997096735 /nfs/dbraw/zinc/09/67/35/997096735.db2.gz XLPKWVRUUMUYGQ-UHFFFAOYSA-N -2 0 329.305 2.235 20 0 EEADRL CO[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2[O-])[C@@H](C(=O)[O-])C1 ZINC001599123880 997797815 /nfs/dbraw/zinc/79/78/15/997797815.db2.gz WWVQOHZJLUJKMJ-LDYMZIIASA-N -2 0 347.289 2.115 20 0 EEADRL COc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)ccc1F ZINC001599460177 998259290 /nfs/dbraw/zinc/25/92/90/998259290.db2.gz UIEMAYPACKMVBK-UHFFFAOYSA-N -2 0 331.346 2.395 20 0 EEADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC001594210596 998817801 /nfs/dbraw/zinc/81/78/01/998817801.db2.gz SGOHUNXYIJYCPB-HTQZYQBOSA-N -2 0 342.298 2.238 20 0 EEADRL CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cccnc2C(=O)[O-])c1 ZINC001599040851 999116450 /nfs/dbraw/zinc/11/64/50/999116450.db2.gz AJMKTANBYZMBIT-JTQLQIEISA-N -2 0 336.369 2.288 20 0 EEADRL CCn1nc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1C1CC1 ZINC000267430609 256059155 /nfs/dbraw/zinc/05/91/55/256059155.db2.gz MPCMYHJTYHJLQJ-UHFFFAOYSA-N -2 0 349.412 2.208 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2O)cc1C(=O)[O-] ZINC000360603892 164349464 /nfs/dbraw/zinc/34/94/64/164349464.db2.gz GZSJLTNEGVBDJD-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL COCc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)cc1 ZINC000436993572 315020631 /nfs/dbraw/zinc/02/06/31/315020631.db2.gz DOEILNOMCOVKRT-UHFFFAOYSA-N -2 0 337.353 2.038 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC[C@H](C(=O)[O-])C2)n1 ZINC000519714185 316815339 /nfs/dbraw/zinc/81/53/39/316815339.db2.gz LUAYYIVHIVJTHP-ZDUSSCGKSA-N -2 0 343.383 2.077 20 0 EEADRL Cn1ncc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)c1C(=O)[O-] ZINC000538089687 318031923 /nfs/dbraw/zinc/03/19/23/318031923.db2.gz CTTNNUCUKZJMJB-UHFFFAOYSA-N -2 0 343.430 2.278 20 0 EEADRL O=C([O-])C[C@H]1CCCN(C(=O)c2nn(-c3ccccc3F)cc2[O-])C1 ZINC000565457775 319183965 /nfs/dbraw/zinc/18/39/65/319183965.db2.gz GISFEZWAJKZKDZ-LLVKDONJSA-N -2 0 347.346 2.044 20 0 EEADRL CN(CCC(=O)[O-])C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000568511089 319495243 /nfs/dbraw/zinc/49/52/43/319495243.db2.gz LJBJJPPHSFCUML-UHFFFAOYSA-N -2 0 336.569 2.355 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(C(C)C)nc1 ZINC000358496722 465159270 /nfs/dbraw/zinc/15/92/70/465159270.db2.gz RGZWYTJGBXPMPC-UHFFFAOYSA-N -2 0 325.346 2.000 20 0 EEADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)cc1 ZINC000590696158 468310270 /nfs/dbraw/zinc/31/02/70/468310270.db2.gz VTYTXEHPHALGQV-UHFFFAOYSA-N -2 0 347.396 2.172 20 0 EEADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000015243226 462944156 /nfs/dbraw/zinc/94/41/56/462944156.db2.gz KFRJGULSLFZMSE-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000032596897 463383178 /nfs/dbraw/zinc/38/31/78/463383178.db2.gz FYPFQWGMQSRKFO-UHFFFAOYSA-N -2 0 340.288 2.233 20 0 EEADRL Cc1cc(C(=O)Nc2cccc(Cl)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000151429291 463530478 /nfs/dbraw/zinc/53/04/78/463530478.db2.gz DLRFSULGUFQHFN-UHFFFAOYSA-N -2 0 330.731 2.238 20 0 EEADRL CCOc1ncccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000042793758 463598191 /nfs/dbraw/zinc/59/81/91/463598191.db2.gz JHRZSZBCFGBHPT-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL O=C(CNS(=O)(=O)c1cccs1)Nc1ccc(Cl)cc1O ZINC000179637103 464166047 /nfs/dbraw/zinc/16/60/47/464166047.db2.gz OTVPMZXAUUDRFU-UHFFFAOYSA-N -2 0 346.817 2.024 20 0 EEADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])s1 ZINC000340411876 466074910 /nfs/dbraw/zinc/07/49/10/466074910.db2.gz WDWBICGSDZPSOM-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000361779055 466281604 /nfs/dbraw/zinc/28/16/04/466281604.db2.gz AAVUAERBBJJSRU-UHFFFAOYSA-N -3 0 338.341 2.065 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)c1F ZINC000313238170 466537363 /nfs/dbraw/zinc/53/73/63/466537363.db2.gz NXNSJGZKFNRALP-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000315740348 466563952 /nfs/dbraw/zinc/56/39/52/466563952.db2.gz LOQIZLHUZRZXPE-UHFFFAOYSA-N -2 0 327.308 2.393 20 0 EEADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccc(F)cc2O)c1 ZINC000436524110 467543717 /nfs/dbraw/zinc/54/37/17/467543717.db2.gz FPZFWAGWJRWBAV-UHFFFAOYSA-N -2 0 341.316 2.044 20 0 EEADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CC[C@H](C(=O)[O-])C3)n2)cc1 ZINC000178269783 528055368 /nfs/dbraw/zinc/05/53/68/528055368.db2.gz PNXAJDVAWMVDBS-ZDUSSCGKSA-N -2 0 343.383 2.248 20 0 EEADRL Cn1cc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])cn1 ZINC000315895831 600052686 /nfs/dbraw/zinc/05/26/86/600052686.db2.gz SFCWVLKAJXOFGX-UHFFFAOYSA-N -2 0 337.382 2.134 20 0 EEADRL Cc1noc2ncc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)cc12 ZINC000833024101 600685608 /nfs/dbraw/zinc/68/56/08/600685608.db2.gz UMGHQXJCRTUEFY-UHFFFAOYSA-N -2 0 339.354 2.092 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2nc3ccccc3s2)cc1C(=O)[O-] ZINC000314406148 600827207 /nfs/dbraw/zinc/82/72/07/600827207.db2.gz VIMZDXFKTCIDFZ-UHFFFAOYSA-N -2 0 337.382 2.134 20 0 EEADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000832419166 601150717 /nfs/dbraw/zinc/15/07/17/601150717.db2.gz CJTALLBRGNVSCN-UHFFFAOYSA-N -2 0 343.382 2.264 20 0 EEADRL Cc1ccc2cccc(S(=O)(=O)[N-]c3cc(C(=O)[O-])n(C)c3)c2n1 ZINC000832961785 601558021 /nfs/dbraw/zinc/55/80/21/601558021.db2.gz FITLRYJIPKMWEP-UHFFFAOYSA-N -2 0 345.380 2.381 20 0 EEADRL CSc1ccc(S(=O)(=O)[N-]c2csnc2C(=O)[O-])cc1 ZINC000832785015 602155801 /nfs/dbraw/zinc/15/58/01/602155801.db2.gz FGWDFGBZZHLXNH-UHFFFAOYSA-N -2 0 330.412 2.364 20 0 EEADRL C[C@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000828221650 602384979 /nfs/dbraw/zinc/38/49/79/602384979.db2.gz URBDYRBTCVKEIO-WCQYABFASA-N -2 0 339.413 2.157 20 0 EEADRL CC(C)(CCC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1ccccc1 ZINC000833457395 604495623 /nfs/dbraw/zinc/49/56/23/604495623.db2.gz WNNWPXOYFZROOW-UHFFFAOYSA-N -2 0 341.429 2.055 20 0 EEADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)/C=C/c2ccccc2)cc1F ZINC000833148454 604879740 /nfs/dbraw/zinc/87/97/40/604879740.db2.gz JZDHCOUZLVTTMX-CMDGGOBGSA-N -2 0 349.339 2.254 20 0 EEADRL CC(C)c1cccnc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833511476 605053933 /nfs/dbraw/zinc/05/39/33/605053933.db2.gz UTCSJGYLSVFXBN-UHFFFAOYSA-N -2 0 327.387 2.161 20 0 EEADRL CCc1nn(C)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000091021563 676876276 /nfs/dbraw/zinc/87/62/76/676876276.db2.gz IDVMMUAYWMMXCN-UHFFFAOYSA-N -2 0 343.792 2.135 20 0 EEADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(SC)cc1 ZINC000863959627 1197937811 /nfs/dbraw/zinc/93/78/11/1197937811.db2.gz LBGAEWGVCWUNHZ-UHFFFAOYSA-N -2 0 345.442 2.104 20 0 EEADRL CCc1ncsc1NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189870191 1280529721 /nfs/dbraw/zinc/52/97/21/1280529721.db2.gz AUFATSLCDPWJES-UHFFFAOYSA-N -2 0 328.286 2.429 20 0 EEADRL O=C(NCc1ccc2c(c1)CCO2)c1ccccc1OP(=O)([O-])[O-] ZINC001189900112 1280570618 /nfs/dbraw/zinc/57/06/18/1280570618.db2.gz QQCVVKQNDHBJAX-UHFFFAOYSA-N -2 0 349.279 2.023 20 0 EEADRL O=C(N[C@H]1CCCc2cnccc21)c1ccccc1OP(=O)([O-])[O-] ZINC001189899046 1280571068 /nfs/dbraw/zinc/57/10/68/1280571068.db2.gz JRVGHAJRMZUZNY-AWEZNQCLSA-N -2 0 348.295 2.361 20 0 EEADRL O=C(NCCOP(=O)([O-])[O-])Nc1cc(F)cc(C(F)(F)F)c1 ZINC001191596935 1281512889 /nfs/dbraw/zinc/51/28/89/1281512889.db2.gz CYFNPGLJLBTFLN-UHFFFAOYSA-N -2 0 346.173 2.075 20 0 EEADRL CC(=O)c1ccsc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198740341 1285312247 /nfs/dbraw/zinc/31/22/47/1285312247.db2.gz FRURWZNULGVLOM-UHFFFAOYSA-N -2 0 325.367 2.450 20 0 EEADRL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cn1 ZINC001198747301 1285317180 /nfs/dbraw/zinc/31/71/80/1285317180.db2.gz VCUDECLYMVNFSZ-UHFFFAOYSA-N -2 0 336.369 2.368 20 0 EEADRL O=P([O-])([O-])Oc1ccc(O[C@H]2CCCC3(C2)OCCO3)cc1 ZINC001234335946 1304884071 /nfs/dbraw/zinc/88/40/71/1304884071.db2.gz NSAPFMFXRKECHY-ZDUSSCGKSA-N -2 0 330.273 2.223 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccn(-c3ccncc3)c(=O)c2)c1 ZINC001242163945 1309625301 /nfs/dbraw/zinc/62/53/01/1309625301.db2.gz TUTTWHDQQCIMCX-UHFFFAOYSA-N -2 0 336.303 2.296 20 0 EEADRL O=P([O-])([O-])OCCNC(=S)Nc1ccc(Cl)cc1Cl ZINC001248517491 1310911994 /nfs/dbraw/zinc/91/19/94/1310911994.db2.gz BRBCOYBETIYMJO-UHFFFAOYSA-N -2 0 345.144 2.389 20 0 EEADRL O=P([O-])([O-])OCCNc1nc(Cl)nc2cc(Cl)ccc21 ZINC001157791777 1318865057 /nfs/dbraw/zinc/86/50/57/1318865057.db2.gz UHJZZFVYMKFIFT-UHFFFAOYSA-N -2 0 338.087 2.458 20 0 EEADRL O=P([O-])([O-])OCCNc1nccc(SCc2ccccc2)n1 ZINC001157796156 1318867626 /nfs/dbraw/zinc/86/76/26/1318867626.db2.gz YLMMEHKGCJCZNZ-UHFFFAOYSA-N -2 0 341.329 2.290 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2O)c1 ZINC001260191029 1319821329 /nfs/dbraw/zinc/82/13/29/1319821329.db2.gz SEVWEZDCGYHNQV-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cccc3c2C(=O)CC3)c1 ZINC001260216096 1319833868 /nfs/dbraw/zinc/83/38/68/1319833868.db2.gz RGYDFNCESYURQK-UHFFFAOYSA-N -2 0 349.339 2.454 20 0 EEADRL Cc1ccc(Cl)cc1NC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC001600426345 1350048099 /nfs/dbraw/zinc/04/80/99/1350048099.db2.gz RKXKBOFCINZMRU-JOYOIKCWSA-N -2 0 340.763 2.430 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]CC=C(Cl)Cl)oc1Cl ZINC001602295520 1350487303 /nfs/dbraw/zinc/48/73/03/1350487303.db2.gz LIRWOVKYLUGZSY-UHFFFAOYSA-N -2 0 334.564 2.229 20 0 EEADRL CC(C)(C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)C1CCC1 ZINC001603239146 1350668737 /nfs/dbraw/zinc/66/87/37/1350668737.db2.gz ORKCKRPFEPFSKH-UHFFFAOYSA-N -2 0 331.415 2.078 20 0 EEADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cc1F ZINC001605208862 1351103733 /nfs/dbraw/zinc/10/37/33/1351103733.db2.gz SKUUMTXOSQKZIQ-SECBINFHSA-N -2 0 331.365 2.020 20 0 EEADRL O=C([O-])C12CCC(C(=O)Nc3ccc(-c4nc(=O)o[n-]4)cc3)(CC1)C2 ZINC001608583220 1351720479 /nfs/dbraw/zinc/72/04/79/1351720479.db2.gz QNYJKAFAEQRUOI-UHFFFAOYSA-N -2 0 343.339 2.004 20 0 EEADRL C/C(=C/COC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-])C(=O)[O-] ZINC001609542946 1352010430 /nfs/dbraw/zinc/01/04/30/1352010430.db2.gz HFBNZGZWVKGEPX-YWEYNIOJSA-N -2 0 338.266 2.044 20 0 EEADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1sc2ccccc2c1Cl ZINC001609644456 1352049121 /nfs/dbraw/zinc/04/91/21/1352049121.db2.gz YFWRGZNHOKENDI-LURJTMIESA-N -2 0 347.801 2.087 20 0 EEADRL C[C@H]1CCCc2nc(S(=O)(=O)[N-]c3ccsc3C(=O)[O-])cn21 ZINC001609854605 1352103157 /nfs/dbraw/zinc/10/31/57/1352103157.db2.gz FXKLZLNAVYJKJU-QMMMGPOBSA-N -2 0 341.414 2.341 20 0 EEADRL C[C@@H]1CCCc2nc(S(=O)(=O)[N-]c3ccsc3C(=O)[O-])cn21 ZINC001609854604 1352103381 /nfs/dbraw/zinc/10/33/81/1352103381.db2.gz FXKLZLNAVYJKJU-MRVPVSSYSA-N -2 0 341.414 2.341 20 0 EEADRL CCC(CC)(CNC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)C(=O)[O-] ZINC001609915186 1352118895 /nfs/dbraw/zinc/11/88/95/1352118895.db2.gz DWRFBTIKZJUNJP-GFCCVEGCSA-N -2 0 342.436 2.410 20 0 EEADRL Cc1cc(-n2cccn2)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001610431699 1352221352 /nfs/dbraw/zinc/22/13/52/1352221352.db2.gz XTDLJKCDWCSLIY-UHFFFAOYSA-N -2 0 347.352 2.273 20 0 EEADRL Cc1c(NC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)ccc(F)c1C(=O)[O-] ZINC001610421035 1352219963 /nfs/dbraw/zinc/21/99/63/1352219963.db2.gz LLZWMROTYNAUMJ-PSASIEDQSA-N -2 0 338.335 2.407 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cc3c(cn2)CCC3)cc1C(=O)[O-] ZINC001610513085 1352236082 /nfs/dbraw/zinc/23/60/82/1352236082.db2.gz GDVUYFDHGCDBQD-UHFFFAOYSA-N -2 0 332.381 2.378 20 0 EEADRL O=C([O-])c1ccc(N2CCCC2)c([N-]S(=O)(=O)c2ccoc2)c1 ZINC001610832485 1352282365 /nfs/dbraw/zinc/28/23/65/1352282365.db2.gz HILMJMKECJODKK-UHFFFAOYSA-N -2 0 336.369 2.379 20 0 EEADRL Cc1c(C(=O)N(CCC(=O)[O-])CC(=O)[O-])oc2c1c(C)ccc2C ZINC001600391799 1350038455 /nfs/dbraw/zinc/03/84/55/1350038455.db2.gz NFWLCEBXRIEUPK-UHFFFAOYSA-N -2 0 333.340 2.360 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c(N(C)C)n1 ZINC001600464076 1350057694 /nfs/dbraw/zinc/05/76/94/1350057694.db2.gz SKXJOGHDCLLTEA-UHFFFAOYSA-N -2 0 341.414 2.017 20 0 EEADRL O=C([O-])[C@@H](NC(=O)c1cccc(F)c1[O-])c1ccc2c(c1)CCO2 ZINC001601397585 1350274099 /nfs/dbraw/zinc/27/40/99/1350274099.db2.gz DZLKRTMNFIXFNR-AWEZNQCLSA-N -2 0 331.299 2.022 20 0 EEADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]c2cnc3ccccc3n2)cc1 ZINC001602356603 1350503230 /nfs/dbraw/zinc/50/32/30/1350503230.db2.gz CFPUFECXFJQKBO-UHFFFAOYSA-N -2 0 343.364 2.270 20 0 EEADRL O=C([O-])[C@]1(C(F)(F)F)CCN(C(=O)c2cc(F)c([O-])c(F)c2)C1 ZINC001602622788 1350559832 /nfs/dbraw/zinc/55/98/32/1350559832.db2.gz MSPKVURPUMOZDN-LBPRGKRZSA-N -2 0 339.216 2.150 20 0 EEADRL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C1 ZINC001604653059 1350977983 /nfs/dbraw/zinc/97/79/83/1350977983.db2.gz UMSANQXKPBWMKB-VHSXEESVSA-N -2 0 345.355 2.441 20 0 EEADRL CCCc1c(C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)[nH]c(C)c1C(=O)[O-] ZINC001605363713 1351144503 /nfs/dbraw/zinc/14/45/03/1351144503.db2.gz BOYJQXVTPQLDPS-GXSJLCMTSA-N -2 0 336.388 2.157 20 0 EEADRL Cc1cc(NS(=O)(=O)Cc2cccc(C(=O)[O-])c2)ccc1C(=O)[O-] ZINC001607695762 1351541307 /nfs/dbraw/zinc/54/13/07/1351541307.db2.gz PQPMKURQNABRLO-UHFFFAOYSA-N -2 0 349.364 2.333 20 0 EEADRL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])c1 ZINC001607811650 1351564199 /nfs/dbraw/zinc/56/41/99/1351564199.db2.gz QQYHIHRTHHGRCO-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL Cc1cccc(C[C@H](CNC(=O)c2ccc(C(=O)[O-])cc2)C(=O)[O-])c1 ZINC001607849864 1351571273 /nfs/dbraw/zinc/57/12/73/1351571273.db2.gz ORCOXBLFKHDJEP-MRXNPFEDSA-N -2 0 341.363 2.367 20 0 EEADRL Cc1csc2c1ncnc2N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001607933402 1351588403 /nfs/dbraw/zinc/58/84/03/1351588403.db2.gz DKAOZERUCRPPJI-MAXPVNGDSA-N -2 0 347.396 2.002 20 0 EEADRL Cc1nc(N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)sc1C(=O)[O-] ZINC001607959592 1351593287 /nfs/dbraw/zinc/59/32/87/1351593287.db2.gz BENASIOVDQKUOK-INIZCTEOSA-N -2 0 332.381 2.382 20 0 EEADRL O=C(N[C@H]1COCc2ccccc21)c1ccccc1OP(=O)([O-])[O-] ZINC001189898766 1368385447 /nfs/dbraw/zinc/38/54/47/1368385447.db2.gz HFWKDGMTZQWJLV-AWEZNQCLSA-N -2 0 349.279 2.159 20 0 EEADRL CSC[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000906006175 783637496 /nfs/dbraw/zinc/63/74/96/783637496.db2.gz YBWNDKLJJOFLCQ-MRVPVSSYSA-N -2 0 344.241 2.088 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N(CC(=O)[O-])CC(C)C)n1 ZINC000908879905 785819578 /nfs/dbraw/zinc/81/95/78/785819578.db2.gz OODSWNHEDPNGQW-UHFFFAOYSA-N -2 0 345.399 2.323 20 0 EEADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CC(C)(C(=O)[O-])C3)n2)c1 ZINC000910059840 786423159 /nfs/dbraw/zinc/42/31/59/786423159.db2.gz VSQMQPGKSDKBDT-UHFFFAOYSA-N -2 0 343.383 2.248 20 0 EEADRL Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c(Cl)c1C ZINC000910182300 786514517 /nfs/dbraw/zinc/51/45/17/786514517.db2.gz GOABFTBJWLPCCA-ZYHUDNBSSA-N -2 0 339.775 2.347 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000910184786 786516693 /nfs/dbraw/zinc/51/66/93/786516693.db2.gz FPLBRLVFNPISIR-HQJQHLMTSA-N -2 0 346.166 2.383 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCc2ccccc2Cl)C1 ZINC000910185716 786517375 /nfs/dbraw/zinc/51/73/75/786517375.db2.gz KIDYILXNTREAPY-AAEUAGOBSA-N -2 0 339.775 2.049 20 0 EEADRL CCc1sc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1C ZINC000910187087 786519548 /nfs/dbraw/zinc/51/95/48/786519548.db2.gz YUWYHXYRZMRVDH-ZJUUUORDSA-N -2 0 325.386 2.009 20 0 EEADRL O=C(Nc1scnc1C1CC1)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148917153 792783011 /nfs/dbraw/zinc/78/30/11/792783011.db2.gz MQDDNDCQBTUHDY-UHFFFAOYSA-N -2 0 340.382 2.225 20 0 EEADRL O=C([O-])c1cc(Nc2cc3n(n2)CC(F)(F)CO3)cc(C(=O)[O-])c1 ZINC001176236810 798390076 /nfs/dbraw/zinc/39/00/76/798390076.db2.gz FBWQZWIJMGVRSH-UHFFFAOYSA-N -2 0 339.254 2.051 20 0 EEADRL O=C(CC1c2ccccc2-c2ccccc21)NCCOP(=O)([O-])[O-] ZINC001181308945 800753788 /nfs/dbraw/zinc/75/37/88/800753788.db2.gz SDNBRVMDQGSPCA-UHFFFAOYSA-N -2 0 347.307 2.415 20 0 EEADRL O=C(NCCOP(=O)([O-])[O-])[C@H](Cc1ccccc1)c1ccccc1 ZINC001181826752 800923980 /nfs/dbraw/zinc/92/39/80/800923980.db2.gz KDEKOWHMEWRWTE-MRXNPFEDSA-N -2 0 349.323 2.238 20 0 EEADRL Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)n1 ZINC000325407627 971212249 /nfs/dbraw/zinc/21/22/49/971212249.db2.gz CHASXOHLDJFVDX-UHFFFAOYSA-N -2 0 347.396 2.010 20 0 EEADRL CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC001589605250 949246203 /nfs/dbraw/zinc/24/62/03/949246203.db2.gz PMMKFJUSHOUEOH-GOSISDBHSA-N -2 0 343.383 2.295 20 0 EEADRL O=C([O-])C1(NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])CCCC1 ZINC001594721462 956971984 /nfs/dbraw/zinc/97/19/84/956971984.db2.gz YSJMDXIJWWOIGD-UHFFFAOYSA-N -2 0 349.774 2.359 20 0 EEADRL COCCc1ccccc1[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000389595261 972233867 /nfs/dbraw/zinc/23/38/67/972233867.db2.gz JEGKQYODCLDYKX-UHFFFAOYSA-N -2 0 341.410 2.436 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)ccc1F ZINC000159873795 959128611 /nfs/dbraw/zinc/12/86/11/959128611.db2.gz MYKWURJGJIAMMY-UHFFFAOYSA-N -2 0 331.346 2.395 20 0 EEADRL COc1ccccc1[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000314112788 963713385 /nfs/dbraw/zinc/71/33/85/963713385.db2.gz KMWIWYGLOGZIKP-UHFFFAOYSA-N -2 0 325.342 2.404 20 0 EEADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]c1ccc2ncccc2c1 ZINC000316920008 964075276 /nfs/dbraw/zinc/07/52/76/964075276.db2.gz RUMISRLRVFDLNC-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2cccc(CCC(=O)[O-])c2)cc1C#N ZINC000326628349 968043905 /nfs/dbraw/zinc/04/39/05/968043905.db2.gz UDNGVDLJQWTKND-UHFFFAOYSA-N -2 0 345.380 2.080 20 0 EEADRL C[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1)CC(F)(F)F ZINC001592715801 979213229 /nfs/dbraw/zinc/21/32/29/979213229.db2.gz IIBATRGHNOVNKH-YFKPBYRVSA-N -2 0 349.714 2.498 20 0 EEADRL CC[C@@H](C)C[C@@H](NC(=O)c1ncc(Br)cc1[O-])C(=O)[O-] ZINC001594949527 982649742 /nfs/dbraw/zinc/64/97/42/982649742.db2.gz CQPHRFACTYKMJI-VXNVDRBHSA-N -2 0 345.193 2.169 20 0 EEADRL CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001594965267 982721908 /nfs/dbraw/zinc/72/19/08/982721908.db2.gz UGYSJRRMFTWMFF-SSDOTTSWSA-N -2 0 328.390 2.096 20 0 EEADRL C[C@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])c1ccccc1 ZINC001599885754 984633971 /nfs/dbraw/zinc/63/39/71/984633971.db2.gz PHIXRZPIZZIYLK-VIFPVBQESA-N -2 0 339.394 2.055 20 0 EEADRL CCOC(=O)c1ccc(NC(=O)c2c(C)coc2CC(=O)[O-])c(O)c1 ZINC001596724367 984976187 /nfs/dbraw/zinc/97/61/87/984976187.db2.gz FZZSQXBQJQVHKM-UHFFFAOYSA-N -2 0 347.323 2.350 20 0 EEADRL C[C@@H](C(=O)[O-])C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC001589450973 986843215 /nfs/dbraw/zinc/84/32/15/986843215.db2.gz GRMQUVUTVKXTHW-MRVPVSSYSA-N -2 0 334.353 2.096 20 0 EEADRL C[C@H](C(=O)[O-])C(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC001589452300 986848394 /nfs/dbraw/zinc/84/83/94/986848394.db2.gz KUWLMHUXPLVFMN-QMMMGPOBSA-N -2 0 334.353 2.091 20 0 EEADRL C[C@H](C(=O)[O-])[S@@](=O)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001589492051 987061502 /nfs/dbraw/zinc/06/15/02/987061502.db2.gz QHVWJEABBPHNOI-PJLCYMMNSA-N -2 0 339.394 2.230 20 0 EEADRL C[C@@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ncn(C)c2Cl)cc1 ZINC001589522294 987176513 /nfs/dbraw/zinc/17/65/13/987176513.db2.gz BQTHUKXRTPNCPK-MRVPVSSYSA-N -2 0 343.792 2.062 20 0 EEADRL CC(C)(C)C[C@H](NC(=O)c1ncc(Br)cc1[O-])C(=O)[O-] ZINC001589752227 988061619 /nfs/dbraw/zinc/06/16/19/988061619.db2.gz RALBZJNJEUUXJM-QMMMGPOBSA-N -2 0 345.193 2.169 20 0 EEADRL CCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC)nc1 ZINC001597555679 988281830 /nfs/dbraw/zinc/28/18/30/988281830.db2.gz BGIULCVOAHUMLU-UHFFFAOYSA-N -2 0 336.369 2.152 20 0 EEADRL CCc1ccc([N-]S(=O)(=O)c2cccnc2C(=O)[O-])cc1OC ZINC001597556397 988289063 /nfs/dbraw/zinc/28/90/63/988289063.db2.gz OJYHSXMSMXFKFK-UHFFFAOYSA-N -2 0 336.369 2.152 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)n1 ZINC001597604108 988478749 /nfs/dbraw/zinc/47/87/49/988478749.db2.gz FLQNQWYBNRVXDX-GOSISDBHSA-N -2 0 343.383 2.123 20 0 EEADRL CSc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)n1 ZINC001599823492 988556102 /nfs/dbraw/zinc/55/61/02/988556102.db2.gz RXRDFAJMWHCMER-UHFFFAOYSA-N -2 0 328.371 2.204 20 0 EEADRL CCc1csc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)n1 ZINC001597638477 988624087 /nfs/dbraw/zinc/62/40/87/988624087.db2.gz DBBLICJZNLQRRL-UHFFFAOYSA-N -2 0 344.389 2.273 20 0 EEADRL CCc1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)n1 ZINC001597638743 988628085 /nfs/dbraw/zinc/62/80/85/988628085.db2.gz WHPGSRGWEWCEOD-UHFFFAOYSA-N -2 0 336.778 2.451 20 0 EEADRL CCc1ncc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cn1 ZINC001597702533 988929461 /nfs/dbraw/zinc/92/94/61/988929461.db2.gz JQTJMKXXRGGYFT-UHFFFAOYSA-N -2 0 341.776 2.191 20 0 EEADRL CC(C)[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1ccccc1 ZINC001590989471 991199329 /nfs/dbraw/zinc/19/93/29/991199329.db2.gz LUSSTDMJCHVGFL-LBPRGKRZSA-N -2 0 338.385 2.091 20 0 EEADRL CC(C)C[C@H](CNC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)CC(=O)[O-] ZINC001591448475 992552640 /nfs/dbraw/zinc/55/26/40/992552640.db2.gz LPMGPNUXMYMCJC-AHIWAGSCSA-N -2 0 340.420 2.162 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cn2)c(C)c1F ZINC001599616733 994024814 /nfs/dbraw/zinc/02/48/14/994024814.db2.gz NSBHQZNXACQQDE-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL COc1cc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)ccc1C(=O)[O-] ZINC001599436076 997848578 /nfs/dbraw/zinc/84/85/78/997848578.db2.gz UIONHQKQBSPBOI-SNVBAGLBSA-N -2 0 336.344 2.112 20 0 EEADRL COc1cc(C(=O)[O-])ccc1NC(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC001599372342 998430303 /nfs/dbraw/zinc/43/03/03/998430303.db2.gz FYRFRSPQFUFJJI-NSHDSACASA-N -2 0 336.344 2.016 20 0 EEADRL C[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001594363936 999374690 /nfs/dbraw/zinc/37/46/90/999374690.db2.gz PBFKTLMUPQJKJY-RISCZKNCSA-N -2 0 339.413 2.157 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2cc3n[nH]cc3cc2C)cc1C(=O)[O-] ZINC000130668958 539413014 /nfs/dbraw/zinc/41/30/14/539413014.db2.gz VWJFPNHZNAETPB-UHFFFAOYSA-N -2 0 348.384 2.192 20 0 EEADRL O=C([O-])CC[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC000263147311 304060341 /nfs/dbraw/zinc/06/03/41/304060341.db2.gz NGYFJAVJJGBRHJ-ZDUSSCGKSA-N -2 0 343.383 2.295 20 0 EEADRL CCn1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1C1CC1 ZINC000267430572 256059062 /nfs/dbraw/zinc/05/90/62/256059062.db2.gz MMPMFNDWJKGAAI-UHFFFAOYSA-N -2 0 335.385 2.279 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)cc1C(=O)[O-] ZINC000267491206 256063717 /nfs/dbraw/zinc/06/37/17/256063717.db2.gz WRJIHIAIBVDNOW-UHFFFAOYSA-N -2 0 348.380 2.043 20 0 EEADRL CC[C@H](C)n1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1C ZINC000342776553 161090103 /nfs/dbraw/zinc/09/01/03/161090103.db2.gz HKRAUPTWMHNANY-VIFPVBQESA-N -2 0 340.405 2.000 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cnn1CC(C)C ZINC000346478154 161375713 /nfs/dbraw/zinc/37/57/13/161375713.db2.gz DNUONWUMYYXGRV-UHFFFAOYSA-N -2 0 343.430 2.408 20 0 EEADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000357026596 163605489 /nfs/dbraw/zinc/60/54/89/163605489.db2.gz KXSMIZOQKDNZCQ-UHFFFAOYSA-N -2 0 339.344 2.262 20 0 EEADRL COc1cccc(F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000359076561 164052465 /nfs/dbraw/zinc/05/24/65/164052465.db2.gz BYEDXSBIIMLSEQ-UHFFFAOYSA-N -2 0 331.346 2.395 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1F ZINC000360501795 164324517 /nfs/dbraw/zinc/32/45/17/164324517.db2.gz YQQRNIFVJLVKNG-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)c(C(=O)[O-])c1 ZINC000371643024 301647175 /nfs/dbraw/zinc/64/71/75/301647175.db2.gz SYZODPPPAVNWFG-UHFFFAOYSA-N -2 0 335.385 2.027 20 0 EEADRL O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000320669785 311595571 /nfs/dbraw/zinc/59/55/71/311595571.db2.gz LHBOVRCKHRXNOR-UHFFFAOYSA-N -2 0 341.335 2.184 20 0 EEADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2cccc3cc[nH]c32)c1 ZINC000547823106 318325966 /nfs/dbraw/zinc/32/59/66/318325966.db2.gz KFAOTJVOIMKWJT-UHFFFAOYSA-N -2 0 332.337 2.373 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cnc(CC(C)C)nc2)ccc1C(=O)[O-] ZINC000350935530 465042033 /nfs/dbraw/zinc/04/20/33/465042033.db2.gz DBALNNLQFBUNLL-UHFFFAOYSA-N -2 0 349.412 2.483 20 0 EEADRL Cc1noc2ncc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3C)cc12 ZINC000341290486 465095485 /nfs/dbraw/zinc/09/54/85/465095485.db2.gz QBCFJZWPIPVMQT-UHFFFAOYSA-N -2 0 347.352 2.339 20 0 EEADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(C2CC2)nc1 ZINC000590695979 468310758 /nfs/dbraw/zinc/31/07/58/468310758.db2.gz NCPWISWSARCVGJ-UHFFFAOYSA-N -2 0 347.396 2.415 20 0 EEADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cnn(CC3CC3)c2)cc1C(=O)[O-] ZINC000076082362 462803110 /nfs/dbraw/zinc/80/31/10/462803110.db2.gz KMFJUQIITAVMFJ-UHFFFAOYSA-N -2 0 349.412 2.409 20 0 EEADRL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000024432824 463084946 /nfs/dbraw/zinc/08/49/46/463084946.db2.gz JKULRALDPXQYBO-UHFFFAOYSA-N -2 0 340.288 2.233 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1 ZINC000072759580 463541105 /nfs/dbraw/zinc/54/11/05/463541105.db2.gz FAYGWSLROZYBAI-UHFFFAOYSA-N -2 0 347.352 2.273 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1C(=O)[O-] ZINC000342971850 465424453 /nfs/dbraw/zinc/42/44/53/465424453.db2.gz MQUADEGRRDLSJQ-UHFFFAOYSA-N -3 0 341.366 2.254 20 0 EEADRL CCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC000340251530 465922264 /nfs/dbraw/zinc/92/22/64/465922264.db2.gz MBEUGEVQIRLZLZ-UHFFFAOYSA-N -2 0 349.364 2.446 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cccc2[nH]c(=O)[nH]c21 ZINC000357327240 465951323 /nfs/dbraw/zinc/95/13/23/465951323.db2.gz IUHULOBSYXBYHN-UHFFFAOYSA-N -2 0 347.352 2.076 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)oc32)cc1C(=O)[O-] ZINC000357334650 465957046 /nfs/dbraw/zinc/95/70/46/465957046.db2.gz AUGHUMLFTYAFLC-UHFFFAOYSA-N -2 0 348.336 2.341 20 0 EEADRL COc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000316653419 466573231 /nfs/dbraw/zinc/57/32/31/466573231.db2.gz ANCKGZUPCRWDRY-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL CCC(CC)(CNC(=O)N1CCC(CCC(=O)[O-])CC1)C(=O)[O-] ZINC000659410034 471612476 /nfs/dbraw/zinc/61/24/76/471612476.db2.gz WULCRLHMLYVIJR-UHFFFAOYSA-N -2 0 328.409 2.164 20 0 EEADRL Cc1ccc(-n2[n-]c(C(=O)N(CC(=O)[O-])CC(C)(C)C)cc2=O)cc1 ZINC000663136784 472369772 /nfs/dbraw/zinc/36/97/72/472369772.db2.gz IWSDAMGLXBTPIU-UHFFFAOYSA-N -2 0 345.399 2.047 20 0 EEADRL COc1ncccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000738147029 576656929 /nfs/dbraw/zinc/65/69/29/576656929.db2.gz YVYMOXQGEKIUMT-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL O=C(COC(=O)c1cc(F)c([O-])c(F)c1)[N-]OCc1ccccc1 ZINC000759544791 577645232 /nfs/dbraw/zinc/64/52/32/577645232.db2.gz DVBBYDFAVJGZES-UHFFFAOYSA-N -2 0 337.278 2.075 20 0 EEADRL Cc1nc(S(=O)(=O)[N-]c2cc3ccccc3c(C(=O)[O-])c2)cn1C ZINC000751545858 577755223 /nfs/dbraw/zinc/75/52/23/577755223.db2.gz GPFILGGHVPNYQK-UHFFFAOYSA-N -2 0 345.380 2.381 20 0 EEADRL O=C([O-])CCCOc1ccc(NC(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC000739686638 578064331 /nfs/dbraw/zinc/06/43/31/578064331.db2.gz QKVMMLPPYIAJKM-UHFFFAOYSA-N -2 0 344.323 2.276 20 0 EEADRL CC1=C(C(=O)[O-])[C@H](c2ccsc2)NC(=O)N1CCCCC(=O)[O-] ZINC000736750090 578221840 /nfs/dbraw/zinc/22/18/40/578221840.db2.gz IAYNKLIQEORROQ-ZDUSSCGKSA-N -2 0 338.385 2.428 20 0 EEADRL CCn1nc(C)c([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1C ZINC000737312937 578249781 /nfs/dbraw/zinc/24/97/81/578249781.db2.gz WFIAQYJNXICYOP-UHFFFAOYSA-N -2 0 341.364 2.158 20 0 EEADRL O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000315195098 597313896 /nfs/dbraw/zinc/31/38/96/597313896.db2.gz LDUMBNUXNHZDOH-UHFFFAOYSA-N -2 0 327.308 2.393 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)o1 ZINC000319903932 600423053 /nfs/dbraw/zinc/42/30/53/600423053.db2.gz ZMLONXMQHDMJDS-UHFFFAOYSA-N -2 0 336.369 2.379 20 0 EEADRL O=C([O-])Cc1csc([N-]S(=O)(=O)c2cccc3cccnc32)n1 ZINC000219260722 600576059 /nfs/dbraw/zinc/57/60/59/600576059.db2.gz WGNOBWJRSNLTKV-UHFFFAOYSA-N -2 0 349.393 2.119 20 0 EEADRL COC(=O)c1cc(NC(=O)CC2(C(=O)[O-])CCCC2)ccc1C(=O)[O-] ZINC000831265103 600669450 /nfs/dbraw/zinc/66/94/50/600669450.db2.gz ZBIOHWLOMHFSSD-UHFFFAOYSA-N -2 0 349.339 2.145 20 0 EEADRL CCCN1Cc2cccc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)c2C1 ZINC000829508499 600679962 /nfs/dbraw/zinc/67/99/62/600679962.db2.gz UCVSVDYMXYMTDK-UHFFFAOYSA-N -2 0 349.412 2.239 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2ccc3ccccc3n2)cc1C(=O)[O-] ZINC000833055522 600828238 /nfs/dbraw/zinc/82/82/38/600828238.db2.gz OCWULYSVFHDQMY-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000830232182 601127545 /nfs/dbraw/zinc/12/75/45/601127545.db2.gz FJVBDQYZULKLRQ-UHFFFAOYSA-N -3 0 339.325 2.039 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)cc1C(=O)[O-] ZINC000833029798 601230771 /nfs/dbraw/zinc/23/07/71/601230771.db2.gz MOYTVYNXJLETTJ-UHFFFAOYSA-N -2 0 347.352 2.477 20 0 EEADRL COc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000831972346 601232929 /nfs/dbraw/zinc/23/29/29/601232929.db2.gz IRIJECMDZSFVAD-UHFFFAOYSA-N -2 0 325.342 2.404 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)cc1C(=O)[O-] ZINC000833029143 601233287 /nfs/dbraw/zinc/23/32/87/601233287.db2.gz CPJWVSCZZWGQGM-UHFFFAOYSA-N -2 0 337.353 2.412 20 0 EEADRL CC(C)c1nc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)c[nH]1 ZINC000827152152 601332994 /nfs/dbraw/zinc/33/29/94/601332994.db2.gz AYHPSDOSYRRPNX-UHFFFAOYSA-N -2 0 338.389 2.102 20 0 EEADRL COc1ccc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1 ZINC000832373688 601492156 /nfs/dbraw/zinc/49/21/56/601492156.db2.gz FXIYMNZFORFNTI-UHFFFAOYSA-N -2 0 329.305 2.235 20 0 EEADRL CCCCC[C@H](NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)C(=O)[O-] ZINC000829326714 601748053 /nfs/dbraw/zinc/74/80/53/601748053.db2.gz OVHYAYJERCLFEG-AWEZNQCLSA-N -2 0 345.399 2.237 20 0 EEADRL CCOc1cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])ccc1C ZINC000830049457 601839832 /nfs/dbraw/zinc/83/98/32/601839832.db2.gz CHWUDBTWMRSRBE-UHFFFAOYSA-N -2 0 342.398 2.349 20 0 EEADRL COC(=O)c1csc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)c1 ZINC000831466858 602115707 /nfs/dbraw/zinc/11/57/07/602115707.db2.gz IZZAGEOSAUFWHC-UHFFFAOYSA-N -2 0 347.395 2.095 20 0 EEADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(F)nc2)c1 ZINC000833297148 602157693 /nfs/dbraw/zinc/15/76/93/602157693.db2.gz JHBFZYRAXKZFBN-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])c1ccc(NC(=O)C[C@]2(C(=O)[O-])CCSC2)cc1F ZINC000833095519 602299126 /nfs/dbraw/zinc/29/91/26/602299126.db2.gz PGGTUTPUZNOJAV-CQSZACIVSA-N -2 0 327.333 2.060 20 0 EEADRL CC(C)Cc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)n[nH]1 ZINC000826909996 602306011 /nfs/dbraw/zinc/30/60/11/602306011.db2.gz UOOQKEVMOWZNIS-UHFFFAOYSA-N -2 0 329.403 2.169 20 0 EEADRL CC(C)Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n[nH]1 ZINC000826909780 602306026 /nfs/dbraw/zinc/30/60/26/602306026.db2.gz LDLIQSFZRRYUSQ-UHFFFAOYSA-N -2 0 341.364 2.246 20 0 EEADRL C[C@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833610951 605486489 /nfs/dbraw/zinc/48/64/89/605486489.db2.gz YZBHARMWXQHPII-WCBMZHEXSA-N -2 0 345.804 2.279 20 0 EEADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000833741216 605596732 /nfs/dbraw/zinc/59/67/32/605596732.db2.gz CAKTUTCTNHFIIM-UHFFFAOYSA-N -2 0 341.414 2.088 20 0 EEADRL O=C([O-])C[C@@H]1CCCCN1C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000909496304 684190438 /nfs/dbraw/zinc/19/04/38/684190438.db2.gz CRWOQFJQJHIMIX-LBPRGKRZSA-N -2 0 347.346 2.186 20 0 EEADRL Cc1nc(Cl)ncc1NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189872508 1280530851 /nfs/dbraw/zinc/53/08/51/1280530851.db2.gz UQWQZVABWZRDPQ-UHFFFAOYSA-N -2 0 343.663 2.162 20 0 EEADRL Cc1nccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)n1 ZINC001193973543 1282799547 /nfs/dbraw/zinc/79/95/47/1282799547.db2.gz SKRRDYRBSCQKBB-UHFFFAOYSA-N -2 0 345.739 2.077 20 0 EEADRL CCOC(=O)CS(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1[O-] ZINC001195972708 1283825733 /nfs/dbraw/zinc/82/57/33/1283825733.db2.gz BMRYQSRISXPBPE-UHFFFAOYSA-N -2 0 328.173 2.004 20 0 EEADRL Cc1cccc2ncc([N-]S(=O)(=O)c3ccccc3C(=O)[O-])n21 ZINC001198746334 1285317004 /nfs/dbraw/zinc/31/70/04/1285317004.db2.gz DSRTXEPPUIWFOR-UHFFFAOYSA-N -2 0 331.353 2.142 20 0 EEADRL O=C(Oc1ccc(C2CCCCC2)cc1)[C@H](O)COP(=O)([O-])[O-] ZINC001227921627 1302008960 /nfs/dbraw/zinc/00/89/60/1302008960.db2.gz XFGVUQHBQCWWFJ-CQSZACIVSA-N -2 0 344.300 2.110 20 0 EEADRL CCCCCCc1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1 ZINC001231253472 1303703632 /nfs/dbraw/zinc/70/36/32/1303703632.db2.gz ZOILWBXNVWIBBY-CQSZACIVSA-N -2 0 346.316 2.185 20 0 EEADRL O=C([O-])/C=C/c1ccc(-c2cccc3c2NC(=O)[N-]S3(=O)=O)cc1 ZINC001235622963 1305302138 /nfs/dbraw/zinc/30/21/38/1305302138.db2.gz OAYNMFWKZYOLTQ-RMKNXTFCSA-N -2 0 344.348 2.275 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ncnc3cc4c(cc32)OCO4)c1 ZINC001242159101 1309621897 /nfs/dbraw/zinc/62/18/97/1309621897.db2.gz GPAHRFOSUPPUCL-UHFFFAOYSA-N -2 0 338.275 2.422 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cnoc2C2CC2)cc(C(=O)[O-])c1F ZINC000840918456 1315436129 /nfs/dbraw/zinc/43/61/29/1315436129.db2.gz TXYLSEPCRJYVFY-UHFFFAOYSA-N -2 0 340.332 2.499 20 0 EEADRL COc1cc(Cl)cnc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260184514 1319818618 /nfs/dbraw/zinc/81/86/18/1319818618.db2.gz OVIDHUUCAVHUMK-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL Cc1cc(F)nc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC001260210653 1319832429 /nfs/dbraw/zinc/83/24/29/1319832429.db2.gz SAQIKCOQGDWRID-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]CC(F)(F)C(=O)[O-])c1Cl ZINC001600424884 1350048262 /nfs/dbraw/zinc/04/82/62/1350048262.db2.gz JFKHFOSDRSFVFY-UHFFFAOYSA-N -2 0 348.154 2.300 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)CC1 ZINC001608632797 1351729950 /nfs/dbraw/zinc/72/99/50/1351729950.db2.gz ZEJWMMZUWIOPQH-OBJOEFQTSA-N -2 0 331.368 2.483 20 0 EEADRL O=C([O-])CCc1cccc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC001608739555 1351752935 /nfs/dbraw/zinc/75/29/35/1351752935.db2.gz ARHBAQBIZRXUPP-ZDUSSCGKSA-N -2 0 334.372 2.422 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1S(=O)(=O)c1ccccc1[O-] ZINC001608803104 1351767298 /nfs/dbraw/zinc/76/72/98/1351767298.db2.gz FLQIVKYMNQMYPR-KBPBESRZSA-N -2 0 347.392 2.371 20 0 EEADRL CC(C)(C)c1csc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)n1 ZINC001609671004 1352055289 /nfs/dbraw/zinc/05/52/89/1352055289.db2.gz NPKPOWKZCDJQML-UHFFFAOYSA-N -2 0 341.414 2.335 20 0 EEADRL CC1(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)CCCCC1 ZINC001609811043 1352091250 /nfs/dbraw/zinc/09/12/50/1352091250.db2.gz ZMYWXIBMKGLJJP-UHFFFAOYSA-N -2 0 325.386 2.160 20 0 EEADRL CC1(C)CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001609818744 1352093021 /nfs/dbraw/zinc/09/30/21/1352093021.db2.gz YGAASAWQRZTCOC-LBPRGKRZSA-N -2 0 325.386 2.016 20 0 EEADRL CCc1cccnc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001610068286 1352154329 /nfs/dbraw/zinc/15/43/29/1352154329.db2.gz PNNUCMZZICUXNR-UHFFFAOYSA-N -2 0 338.360 2.211 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2cccc(C)c2F)sc1C(=O)[O-] ZINC001610526620 1352238933 /nfs/dbraw/zinc/23/89/33/1352238933.db2.gz MFWQCOXRYASSPM-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL O=C([O-])[C@H](CNC(=O)c1cc(O)ccc1Cl)Cc1ccncc1 ZINC001610685629 1352260124 /nfs/dbraw/zinc/26/01/24/1352260124.db2.gz ICUCRNKGPYKJLY-NSHDSACASA-N -2 0 334.759 2.114 20 0 EEADRL O=C([O-])c1cc(Cl)cc([N-]S(=O)(=O)C[C@H]2CCCCO2)c1O ZINC001610810462 1352278939 /nfs/dbraw/zinc/27/89/39/1352278939.db2.gz ACTPWCMTLCOYEW-SECBINFHSA-N -2 0 349.792 2.055 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1nccc2ccncc21 ZINC001600125519 1349975378 /nfs/dbraw/zinc/97/53/78/1349975378.db2.gz XVNYEOBLHINHLW-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])n1 ZINC001600221373 1349996150 /nfs/dbraw/zinc/99/61/50/1349996150.db2.gz XINCPQWLFLMSPL-UHFFFAOYSA-N -2 0 340.788 2.471 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)nc(C)n1 ZINC001600282594 1350010603 /nfs/dbraw/zinc/01/06/03/1350010603.db2.gz CFUIIXSTNUGBCD-UHFFFAOYSA-N -2 0 339.348 2.040 20 0 EEADRL Cc1ccc(Cl)cc1NC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC001600426346 1350048647 /nfs/dbraw/zinc/04/86/47/1350048647.db2.gz RKXKBOFCINZMRU-SKDRFNHKSA-N -2 0 340.763 2.430 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2nc(C(F)(F)F)c[nH]2)cc1C(=O)[O-] ZINC001600483779 1350062897 /nfs/dbraw/zinc/06/28/97/1350062897.db2.gz ROBDNLZOKGBMDN-UHFFFAOYSA-N -2 0 349.290 2.236 20 0 EEADRL CC1N=NC(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)=C1[O-] ZINC001600666783 1350113486 /nfs/dbraw/zinc/11/34/86/1350113486.db2.gz CLTUFYFMAPCYCP-UHFFFAOYSA-N -2 0 344.371 2.365 20 0 EEADRL Cc1nc(-c2ccccc2)c(C(=O)N(CCC(=O)[O-])CC(=O)[O-])s1 ZINC001600678453 1350115397 /nfs/dbraw/zinc/11/53/97/1350115397.db2.gz LBCLAVQDZHADGD-UHFFFAOYSA-N -2 0 348.380 2.120 20 0 EEADRL Cc1oc(C(=O)[O-])cc1C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC001600826816 1350145582 /nfs/dbraw/zinc/14/55/82/1350145582.db2.gz DSGVTJOQOVSSAT-UHFFFAOYSA-N -2 0 328.284 2.029 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2cccc(-c3nnco3)c2)cc1C(=O)[O-] ZINC001600856107 1350153372 /nfs/dbraw/zinc/15/33/72/1350153372.db2.gz PQYYIXHZXDABAD-UHFFFAOYSA-N -2 0 349.324 2.137 20 0 EEADRL Cc1sc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc2c1OCC2 ZINC001600872480 1350156909 /nfs/dbraw/zinc/15/69/09/1350156909.db2.gz LHJACCCERLVZPA-UHFFFAOYSA-N -2 0 339.394 2.490 20 0 EEADRL O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001601415626 1350279567 /nfs/dbraw/zinc/27/95/67/1350279567.db2.gz OACPOTWYLXTALK-LLVKDONJSA-N -2 0 333.344 2.082 20 0 EEADRL O=C([O-])[C@@H]1C[C@@H]1CNC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC001601528663 1350300938 /nfs/dbraw/zinc/30/09/38/1350300938.db2.gz MAQAAJXHLWUSRQ-IYSWYEEDSA-N -2 0 348.580 2.259 20 0 EEADRL O=C([O-])c1cc(F)cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1F ZINC001602271415 1350482408 /nfs/dbraw/zinc/48/24/08/1350482408.db2.gz VHCPSKFWBDZMJA-BDAKNGLRSA-N -2 0 325.267 2.269 20 0 EEADRL CC(C)(CCNS(=O)(=O)c1cc(C(=O)[O-])cs1)CCC(=O)[O-] ZINC001603613519 1350728473 /nfs/dbraw/zinc/72/84/73/1350728473.db2.gz UXHLUSLWQSZXNQ-UHFFFAOYSA-N -2 0 349.430 2.006 20 0 EEADRL CCC[C@@H](C)C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)C(=O)[O-] ZINC001605205694 1351102694 /nfs/dbraw/zinc/10/26/94/1351102694.db2.gz AXDQNWGIDWRHCX-PSASIEDQSA-N -2 0 349.430 2.004 20 0 EEADRL C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC001607465333 1351498420 /nfs/dbraw/zinc/49/84/20/1351498420.db2.gz RUCBMNPGYYWAFE-AULYBMBSSA-N -2 0 339.413 2.157 20 0 EEADRL Cc1[nH]c(=O)c(C(=O)[N-]OCCCC(=O)[O-])cc1-c1ccccc1 ZINC001607483200 1351501119 /nfs/dbraw/zinc/50/11/19/1351501119.db2.gz CNXDSCNXPAOMMP-UHFFFAOYSA-N -2 0 330.340 2.289 20 0 EEADRL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001607499779 1351506212 /nfs/dbraw/zinc/50/62/12/1351506212.db2.gz CLDFIJXKAYOLQL-UHFFFAOYSA-N -2 0 349.290 2.294 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)c(C(=O)[O-])[nH]1 ZINC001607696762 1351541243 /nfs/dbraw/zinc/54/12/43/1351541243.db2.gz ILBLFBJIZGYQRV-UHFFFAOYSA-N -2 0 349.290 2.236 20 0 EEADRL O=C([O-])c1cc(F)cc(NC(=O)C[C@]2(C(=O)[O-])CCSC2)c1F ZINC001608290815 1351664404 /nfs/dbraw/zinc/66/44/04/1351664404.db2.gz YVRVATQNWCYVQD-CQSZACIVSA-N -2 0 345.323 2.200 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)CC2CCCCC2)s1 ZINC001608295451 1351665497 /nfs/dbraw/zinc/66/54/97/1351665497.db2.gz MJMYSRPWVROYTR-UHFFFAOYSA-N -2 0 331.415 2.222 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2nccs2)cc1C(=O)[O-] ZINC000037326054 1352394116 /nfs/dbraw/zinc/39/41/16/1352394116.db2.gz NMLNZVGJTVXRBF-UHFFFAOYSA-N -2 0 328.371 2.041 20 0 EEADRL COc1ccc(N)cc1S(=O)(=O)[N-]c1cc(C)cc(C(=O)[O-])c1 ZINC001211544660 760396046 /nfs/dbraw/zinc/39/60/46/760396046.db2.gz GUHYKRYIKNTBIX-UHFFFAOYSA-N -2 0 336.369 2.085 20 0 EEADRL CCc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)nn1C ZINC000817354261 784692572 /nfs/dbraw/zinc/69/25/72/784692572.db2.gz HJMPBNLPFYWEAE-UHFFFAOYSA-N -2 0 337.401 2.098 20 0 EEADRL Cc1ccc([C@@H]2C[C@H]2C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1C ZINC000910181031 786513267 /nfs/dbraw/zinc/51/32/67/786513267.db2.gz BRSILRMTYMHXCB-QKPAOTATSA-N -2 0 345.395 2.183 20 0 EEADRL O=Nc1c(=O)[nH]c(=S)[nH]c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176237067 798390170 /nfs/dbraw/zinc/39/01/70/798390170.db2.gz FSPQRYKNBZBDKU-UHFFFAOYSA-N -2 0 336.285 2.009 20 0 EEADRL CN1CCc2c(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)cccc2C1=O ZINC001176245113 798393117 /nfs/dbraw/zinc/39/31/17/798393117.db2.gz UXXCLWYBSPHZDS-UHFFFAOYSA-N -2 0 340.335 2.455 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cn(C3CCC3)cn2)cc1C(=O)[O-] ZINC001184666831 802125755 /nfs/dbraw/zinc/12/57/55/802125755.db2.gz BMTPCZBXLVWROB-UHFFFAOYSA-N -2 0 335.385 2.416 20 0 EEADRL Cc1cnn(CC2CC2)c1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184667812 802127002 /nfs/dbraw/zinc/12/70/02/802127002.db2.gz MCSJXBXMKXCGLM-UHFFFAOYSA-N -2 0 349.412 2.409 20 0 EEADRL C[C@H]1CCN(C(=O)c2cccc(Br)c2[O-])C[C@H]1C(=O)[O-] ZINC001589350289 954074946 /nfs/dbraw/zinc/07/49/46/954074946.db2.gz IZSOBNRDURTZKP-WCBMZHEXSA-N -2 0 342.189 2.338 20 0 EEADRL N#Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1Cl ZINC000037393382 957273548 /nfs/dbraw/zinc/27/35/48/957273548.db2.gz DIVGURHRZCQMFT-UHFFFAOYSA-N -2 0 326.717 2.304 20 0 EEADRL O=C([O-])CCCCCNC(=O)NCCc1c(F)cc(O)cc1F ZINC001341306348 957962964 /nfs/dbraw/zinc/96/29/64/957962964.db2.gz FHQZPFYAHOCRBG-UHFFFAOYSA-N -2 0 330.331 2.157 20 0 EEADRL CC(C)(C(=O)[O-])n1ccc(NC(=O)c2cc(F)c([O-])c(Cl)c2)n1 ZINC001588627237 959587859 /nfs/dbraw/zinc/58/78/59/959587859.db2.gz FCLZUSVMKNEAKS-UHFFFAOYSA-N -2 0 341.726 2.453 20 0 EEADRL CC(C)(C)CN(CC(=O)[O-])S(=O)(=O)c1cccc(Cl)c1[O-] ZINC001588656794 960414900 /nfs/dbraw/zinc/41/49/00/960414900.db2.gz DQWACHHCOYTZLD-UHFFFAOYSA-N -2 0 335.809 2.167 20 0 EEADRL O=C([O-])[C@]1(C(=O)Nc2nccc(Br)c2[O-])CC=CCC1 ZINC001574641232 962355172 /nfs/dbraw/zinc/35/51/72/962355172.db2.gz PLQWLRMRMASKPA-CYBMUJFWSA-N -2 0 341.161 2.299 20 0 EEADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c1 ZINC000314309514 963739679 /nfs/dbraw/zinc/73/96/79/963739679.db2.gz NYIKSRJEXBUQRT-UHFFFAOYSA-N -2 0 346.317 2.294 20 0 EEADRL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000314701388 963794271 /nfs/dbraw/zinc/79/42/71/963794271.db2.gz JQZJKHPQPJGFAU-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL O=C([O-])C1CC(Nc2cc(F)cc(C[N-]C(=O)C(F)(F)F)c2)C1 ZINC001605982402 973015489 /nfs/dbraw/zinc/01/54/89/973015489.db2.gz BBOPEBUBFKHQGH-UHFFFAOYSA-N -2 0 334.269 2.279 20 0 EEADRL O=C([O-])C=Cc1cc(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)co1 ZINC001606064801 973204176 /nfs/dbraw/zinc/20/41/76/973204176.db2.gz QJQUPRLYATXIEV-PLNGDYQASA-N -2 0 340.295 2.120 20 0 EEADRL CC(C)c1ccsc1C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-] ZINC001592003576 976662808 /nfs/dbraw/zinc/66/28/08/976662808.db2.gz XUMBIQXZZTYOSF-BDAKNGLRSA-N -2 0 333.431 2.040 20 0 EEADRL C[C@](CNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)(C(=O)[O-])c1ccccc1 ZINC001592647739 978628759 /nfs/dbraw/zinc/62/87/59/978628759.db2.gz NOHZIJPXFFYWLT-SNUQEOBHSA-N -2 0 333.384 2.036 20 0 EEADRL C[C@@H]1CN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])C[C@H]1C(=O)[O-] ZINC000874965776 980201341 /nfs/dbraw/zinc/20/13/41/980201341.db2.gz PSFUYCZXNVYXGU-QMTHXVAHSA-N -2 0 343.335 2.257 20 0 EEADRL CCC(C)(C)CC(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001594807982 981913953 /nfs/dbraw/zinc/91/39/53/981913953.db2.gz FQDPCFWBOGHWQC-UHFFFAOYSA-N -2 0 327.402 2.157 20 0 EEADRL CCC(C)(CC)C(=O)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001594830215 982010561 /nfs/dbraw/zinc/01/05/61/982010561.db2.gz SBKBJJDFZNOFDU-UHFFFAOYSA-N -2 0 345.392 2.084 20 0 EEADRL CCCCC[C@@H](C)NC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001595666345 982099330 /nfs/dbraw/zinc/09/93/30/982099330.db2.gz IQWDEEQVLQFGOG-GWUZIGMUSA-N -2 0 340.420 2.162 20 0 EEADRL C[C@@H](C(=O)[O-])N(C(=O)c1ncc(Br)cc1[O-])C1CCC1 ZINC001589477854 986988348 /nfs/dbraw/zinc/98/83/48/986988348.db2.gz FLYPTGFZOPJXRF-ZETCQYMHSA-N -2 0 343.177 2.018 20 0 EEADRL CCc1[nH]c(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c(C)c1C(=O)[O-] ZINC001597364779 987535609 /nfs/dbraw/zinc/53/56/09/987535609.db2.gz YVKYOOGRKQSGGZ-GOSISDBHSA-N -2 0 344.367 2.314 20 0 EEADRL CCc1cc(C2CC2)nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC001597471387 987933298 /nfs/dbraw/zinc/93/32/98/987933298.db2.gz HDFSAFHGNSIAGJ-UHFFFAOYSA-N -2 0 347.396 2.415 20 0 EEADRL CCc1cc(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])ccc1C ZINC001597481206 987966493 /nfs/dbraw/zinc/96/64/93/987966493.db2.gz AFWSHXGWUJAAQF-JSGCOSHPSA-N -2 0 334.372 2.339 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N[C@](C)(C(=O)[O-])C2CC2)n1 ZINC001597604109 988478791 /nfs/dbraw/zinc/47/87/91/988478791.db2.gz FLQNQWYBNRVXDX-SFHVURJKSA-N -2 0 343.383 2.123 20 0 EEADRL CCc1ncsc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1CC ZINC001597712188 988975662 /nfs/dbraw/zinc/97/56/62/988975662.db2.gz OMQOEZOHIYSAKF-UHFFFAOYSA-N -2 0 330.387 2.360 20 0 EEADRL CN(C(=O)c1cccc(Cl)c1[O-])[C@@H](COC1CCC1)C(=O)[O-] ZINC001598091468 990434858 /nfs/dbraw/zinc/43/48/58/990434858.db2.gz LJLXJZCOOJTZJQ-LBPRGKRZSA-N -2 0 327.764 2.140 20 0 EEADRL CC(C)CCc1nnc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)o1 ZINC001591269492 992184604 /nfs/dbraw/zinc/18/46/04/992184604.db2.gz BXYLUTLYLCOLFI-UHFFFAOYSA-N -2 0 345.402 2.219 20 0 EEADRL CO[C@@H]1CCC[C@H]([C@@H](NC(=O)c2cc(F)cc(F)c2[O-])C(=O)[O-])C1 ZINC001599106475 997486566 /nfs/dbraw/zinc/48/65/66/997486566.db2.gz HFWPDINJOYRQIM-IYYTYJHQSA-N -2 0 343.326 2.059 20 0 EEADRL CO[C@@H]1CCC[C@@H]([C@H](NC(=O)c2cc(F)cc(F)c2[O-])C(=O)[O-])C1 ZINC001599106478 997487018 /nfs/dbraw/zinc/48/70/18/997487018.db2.gz HFWPDINJOYRQIM-JQEORGNBSA-N -2 0 343.326 2.059 20 0 EEADRL COc1ccc(C)nc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001599535743 997741432 /nfs/dbraw/zinc/74/14/32/997741432.db2.gz CCCUYJAHELSTBK-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL C[C@@]1(NC(=O)c2nn(-c3ccccc3)cc2[O-])CCCC[C@H]1C(=O)[O-] ZINC001594061315 997849102 /nfs/dbraw/zinc/84/91/02/997849102.db2.gz UVFDVSTUJGPTIL-SCLBCKFNSA-N -2 0 343.383 2.341 20 0 EEADRL C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@H]2N1C(=O)c1cccc(Cl)c1[O-] ZINC001594336127 999290268 /nfs/dbraw/zinc/29/02/68/999290268.db2.gz HMHAZEDWKVCJKS-KMLBCRHOSA-N -2 0 339.775 2.281 20 0 EEADRL C[C@@H]1CCC[C@H]1CC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001594358052 999353973 /nfs/dbraw/zinc/35/39/73/999353973.db2.gz TYGROVBZXUGQMT-BDAKNGLRSA-N -2 0 331.415 2.078 20 0 EEADRL O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1cc(F)cc(F)c1[O-] ZINC001546231202 1107055688 /nfs/dbraw/zinc/05/56/88/1107055688.db2.gz QZOWKSNPRUNBKH-UHFFFAOYSA-N -2 0 333.250 2.266 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cnn(CC(C)C)c1 ZINC000268160738 256120895 /nfs/dbraw/zinc/12/08/95/256120895.db2.gz XHIVPLYVMZFGNT-UHFFFAOYSA-N -2 0 337.401 2.347 20 0 EEADRL CCn1ncc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])oc3C)cc21 ZINC000343836657 161172799 /nfs/dbraw/zinc/17/27/99/161172799.db2.gz CSUQFQAJNATZBL-UHFFFAOYSA-N -2 0 349.368 2.457 20 0 EEADRL COC(=O)C1(CS(=O)(=O)[N-]c2ccc(F)c(F)c2[O-])CCCC1 ZINC000414382872 313007166 /nfs/dbraw/zinc/00/71/66/313007166.db2.gz LWTJYYHLEYKCOO-UHFFFAOYSA-N -2 0 349.355 2.146 20 0 EEADRL CC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)c1 ZINC000436783605 314998055 /nfs/dbraw/zinc/99/80/55/314998055.db2.gz HWLHWHFNKHWPPQ-UHFFFAOYSA-N -2 0 349.364 2.402 20 0 EEADRL COC(=O)c1csc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000532364777 317860129 /nfs/dbraw/zinc/86/01/29/317860129.db2.gz YBKCRQLZDXYLRW-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000547568363 318300276 /nfs/dbraw/zinc/30/02/76/318300276.db2.gz LZLUFIBUCVPJBL-VIFPVBQESA-N -2 0 348.352 2.046 20 0 EEADRL COc1ccc(Cl)c(S(=O)(=O)NCC2(C(=O)[O-])CCCC2)c1 ZINC000548557462 318395856 /nfs/dbraw/zinc/39/58/56/318395856.db2.gz ZVYKVIPMYPTDPY-UHFFFAOYSA-N -2 0 347.820 2.272 20 0 EEADRL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000576403426 320168620 /nfs/dbraw/zinc/16/86/20/320168620.db2.gz URJWTTZZJGSBLE-ZCFIWIBFSA-N -2 0 343.298 2.165 20 0 EEADRL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C1CCC1 ZINC000577401110 320253937 /nfs/dbraw/zinc/25/39/37/320253937.db2.gz ZLFYROKZVBJCDU-JTQLQIEISA-N -2 0 339.747 2.150 20 0 EEADRL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000047312900 462768466 /nfs/dbraw/zinc/76/84/66/462768466.db2.gz RVMLXGMWGFHQTG-UHFFFAOYSA-N -2 0 336.325 2.402 20 0 EEADRL CCCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2CC)cn1 ZINC000076082309 462803143 /nfs/dbraw/zinc/80/31/43/462803143.db2.gz AUQOMMJEHJAUSJ-UHFFFAOYSA-N -2 0 337.401 2.355 20 0 EEADRL CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000013340792 462890726 /nfs/dbraw/zinc/89/07/26/462890726.db2.gz SBZNUEJVUZOOMH-UHFFFAOYSA-N -2 0 349.364 2.362 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000054795454 463262365 /nfs/dbraw/zinc/26/23/65/463262365.db2.gz PHNXYNLJAQYRBH-UHFFFAOYSA-N -2 0 339.300 2.023 20 0 EEADRL CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000054795363 463262673 /nfs/dbraw/zinc/26/26/73/463262673.db2.gz DPAXJPWQVABKKB-UHFFFAOYSA-N -2 0 349.364 2.298 20 0 EEADRL CCCC[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000037908976 463445015 /nfs/dbraw/zinc/44/50/15/463445015.db2.gz JRMQCTGYPNQMCL-SNVBAGLBSA-N -2 0 325.308 2.026 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn([C@@H](C)C2CC2)c1 ZINC000187721207 464154832 /nfs/dbraw/zinc/15/48/32/464154832.db2.gz FTMBMSRSMRLCIL-QMMMGPOBSA-N -2 0 339.373 2.255 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2cc(C)cc(C)c2C(=O)[O-])nc1C ZINC000348880343 465854644 /nfs/dbraw/zinc/85/46/44/465854644.db2.gz FNVZXLRJSIRYPW-UHFFFAOYSA-N -2 0 337.401 2.327 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])c1 ZINC000354270485 466433874 /nfs/dbraw/zinc/43/38/74/466433874.db2.gz GQACGQWTMHITAB-UHFFFAOYSA-N -2 0 339.300 2.023 20 0 EEADRL Cc1noc2ncc(S(=O)(=O)[N-]c3ccc(C)cc3C(=O)[O-])cc12 ZINC000338876306 466451715 /nfs/dbraw/zinc/45/17/15/466451715.db2.gz GYAGUSIUZQYKJR-UHFFFAOYSA-N -2 0 347.352 2.339 20 0 EEADRL CC(C)Oc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000319521338 466596104 /nfs/dbraw/zinc/59/61/04/466596104.db2.gz ASTGUYNEUZFBLN-UHFFFAOYSA-N -2 0 338.385 2.311 20 0 EEADRL COc1ccsc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(OC)c1 ZINC000432761019 467262321 /nfs/dbraw/zinc/26/23/21/467262321.db2.gz QEEPOLDFFUZQQF-UHFFFAOYSA-N -2 0 343.382 2.264 20 0 EEADRL CC1(C)Cc2cccc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)c2O1 ZINC000530487301 467988028 /nfs/dbraw/zinc/98/80/28/467988028.db2.gz VGEKBQDNIODERL-UHFFFAOYSA-N -2 0 336.369 2.227 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2O)cc1F ZINC000489542042 468149278 /nfs/dbraw/zinc/14/92/78/468149278.db2.gz AERKZXYMUWDLNI-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL CC[C@@H]1C(=O)N(c2nnc(C)c(=O)[n-]2)N=C1c1ccc(F)cc1Cl ZINC000634586057 470268867 /nfs/dbraw/zinc/26/88/67/470268867.db2.gz ALQCMCKPBNWOJD-VIFPVBQESA-N -2 0 349.753 2.455 20 0 EEADRL CCOc1cc(C[NH2+][C@H](C(=O)[O-])c2ccnn2C)cc(Cl)c1O ZINC000647467675 470908847 /nfs/dbraw/zinc/90/88/47/470908847.db2.gz PPWBNIAAVCUENC-ZDUSSCGKSA-N -2 0 339.779 2.093 20 0 EEADRL O=C([O-])C1CCC(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])CC1 ZINC000663025941 472330341 /nfs/dbraw/zinc/33/03/41/472330341.db2.gz KLDBIYKIZRNLBK-UHFFFAOYSA-N -2 0 347.346 2.090 20 0 EEADRL O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000663029029 472331633 /nfs/dbraw/zinc/33/16/33/472331633.db2.gz HLOGQEHAHFIERX-ZDUSSCGKSA-N -2 0 335.356 2.010 20 0 EEADRL O=C([O-])[C@@H](C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)C1CCCC1 ZINC000663120374 472365749 /nfs/dbraw/zinc/36/57/49/472365749.db2.gz QCROHKZWZALNEG-QLFBSQMISA-N -2 0 331.368 2.307 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cnn(C)c1C(F)F ZINC000677552063 486455000 /nfs/dbraw/zinc/45/50/00/486455000.db2.gz NIAQFKNUBUSQEP-UHFFFAOYSA-N -2 0 345.327 2.165 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)c(C(=O)[O-])c1 ZINC000677757879 486490041 /nfs/dbraw/zinc/49/00/41/486490041.db2.gz JVQWKESRJPRUOP-UHFFFAOYSA-N -2 0 339.373 2.041 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2cc(C)ccc2F)sc1C(=O)[O-] ZINC000738280412 578007763 /nfs/dbraw/zinc/00/77/63/578007763.db2.gz POPPYVXPILOYNE-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1O ZINC000738399258 576388378 /nfs/dbraw/zinc/38/83/78/576388378.db2.gz IEEHIISUJDREDU-UHFFFAOYSA-N -2 0 331.733 2.446 20 0 EEADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-]C[C@H](CC1CCCC1)C(=O)[O-] ZINC000776556398 577462165 /nfs/dbraw/zinc/46/21/65/577462165.db2.gz ZVNOWNSZWHRZBK-SCZZXKLOSA-N -2 0 331.356 2.138 20 0 EEADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(O)c2)cc1C(=O)[O-] ZINC000762462660 577701491 /nfs/dbraw/zinc/70/14/91/577701491.db2.gz MDCDGQIAIZGGNM-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL O=C(COC(=O)c1c(F)cc([O-])cc1F)[N-]OCc1ccccc1 ZINC000746986544 577937551 /nfs/dbraw/zinc/93/75/51/577937551.db2.gz KMVKDTMIMNMXNK-UHFFFAOYSA-N -2 0 337.278 2.075 20 0 EEADRL O=C([O-])[C@@H](CNC(=O)c1ccc([O-])c(Cl)c1)Cc1ccc(O)cc1 ZINC000739396093 578051996 /nfs/dbraw/zinc/05/19/96/578051996.db2.gz CHMWBFSXNZBMRA-GFCCVEGCSA-N -2 0 349.770 2.425 20 0 EEADRL CN(C)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000390479883 600104654 /nfs/dbraw/zinc/10/46/54/600104654.db2.gz DSMKTKOKACIBIC-UHFFFAOYSA-N -2 0 338.360 2.391 20 0 EEADRL C/C(=C/C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])C(C)(C)C ZINC000825724920 600937606 /nfs/dbraw/zinc/93/76/06/600937606.db2.gz XQTFAVAFWCIGRQ-FPLPWBNLSA-N -2 0 331.415 2.244 20 0 EEADRL C[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000828232328 600943483 /nfs/dbraw/zinc/94/34/83/600943483.db2.gz FXTFRDGFHBDTSC-WDEREUQCSA-N -2 0 325.386 2.016 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)cs1 ZINC000833306367 600988925 /nfs/dbraw/zinc/98/89/25/600988925.db2.gz ZMJWYUCXILSZNR-UHFFFAOYSA-N -2 0 349.393 2.433 20 0 EEADRL C[C@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])C1CCCC1 ZINC000826008812 601142020 /nfs/dbraw/zinc/14/20/20/601142020.db2.gz OIJYCJJDASUQON-QMMMGPOBSA-N -2 0 331.415 2.078 20 0 EEADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1 ZINC000830084708 601231165 /nfs/dbraw/zinc/23/11/65/601231165.db2.gz KQYPCYMBZITVIL-UHFFFAOYSA-N -2 0 325.342 2.486 20 0 EEADRL O=C([O-])CN(C(=O)CSc1n[n-]c(=S)s1)c1ccccc1 ZINC000819507476 601287971 /nfs/dbraw/zinc/28/79/71/601287971.db2.gz DSAAHVPOIRWNHG-UHFFFAOYSA-N -2 0 341.439 2.037 20 0 EEADRL CC(C)n1nccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000320041710 601358310 /nfs/dbraw/zinc/35/83/10/601358310.db2.gz RADBLSNYVYIFDZ-VMPITWQZSA-N -2 0 335.385 2.363 20 0 EEADRL CCc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)s1 ZINC000830299597 601360960 /nfs/dbraw/zinc/36/09/60/601360960.db2.gz UCLLTNKHSGRFDF-UHFFFAOYSA-N -2 0 342.398 2.213 20 0 EEADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccn2)cc1 ZINC000236429711 601769244 /nfs/dbraw/zinc/76/92/44/601769244.db2.gz SGNMHXUTNIMUCG-UHFFFAOYSA-N -2 0 326.761 2.163 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)c(Cl)c1 ZINC000832955789 601784864 /nfs/dbraw/zinc/78/48/64/601784864.db2.gz HAAXSMNXBUZSRB-UHFFFAOYSA-N -2 0 328.777 2.486 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)n[nH]c1C1CC1 ZINC000832869217 602103661 /nfs/dbraw/zinc/10/36/61/602103661.db2.gz KEMQPHKEWRRBQE-UHFFFAOYSA-N -2 0 335.385 2.403 20 0 EEADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)cc1 ZINC000825907784 602115245 /nfs/dbraw/zinc/11/52/45/602115245.db2.gz CQNMNKADKPQFSO-UHFFFAOYSA-N -2 0 340.382 2.206 20 0 EEADRL CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000827010339 604442491 /nfs/dbraw/zinc/44/24/91/604442491.db2.gz FCBVTGKHFIRYFM-NSHDSACASA-N -2 0 338.385 2.067 20 0 EEADRL O=C([O-])c1cccc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])c1 ZINC000833327445 604506593 /nfs/dbraw/zinc/50/65/93/604506593.db2.gz KZZQVHQNIKHXEH-HNNXBMFYSA-N -2 0 325.320 2.209 20 0 EEADRL Cc1c(S(=O)(=O)[N-]c2cc3ccccc3cc2C(=O)[O-])cnn1C ZINC000326420085 676750596 /nfs/dbraw/zinc/75/05/96/676750596.db2.gz BRVPMJLQWLHBDP-UHFFFAOYSA-N -2 0 345.380 2.381 20 0 EEADRL O=C([O-])C[C@@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000905189123 694555922 /nfs/dbraw/zinc/55/59/22/694555922.db2.gz QZTSSCXFFBQTLG-VIFPVBQESA-N -2 0 333.793 2.064 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cn(C3CCC3)cn2)ccc1F ZINC001186150682 1278975163 /nfs/dbraw/zinc/97/51/63/1278975163.db2.gz KIJFDEQSPBFQEI-UHFFFAOYSA-N -2 0 339.348 2.246 20 0 EEADRL CCc1cccnc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192110228 1281803128 /nfs/dbraw/zinc/80/31/28/1281803128.db2.gz UGTONSSFMAASFM-UHFFFAOYSA-N -2 0 334.397 2.462 20 0 EEADRL Cc1ccnc(S(=O)(=O)[N-]c2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001198011363 1284926535 /nfs/dbraw/zinc/92/65/35/1284926535.db2.gz DXQYYBCZKVXVTP-UHFFFAOYSA-N -2 0 330.369 2.082 20 0 EEADRL Cc1cc(=O)n(-c2ccc(-c3c(F)cc(C(=O)[O-])cc3F)nn2)[n-]1 ZINC001222392274 1299533926 /nfs/dbraw/zinc/53/39/26/1299533926.db2.gz VYNUPZMRPHBRMI-UHFFFAOYSA-N -2 0 332.266 2.233 20 0 EEADRL O=C([O-])c1cc(F)cc(-c2cccc3c2NC(=O)[N-]S3(=O)=O)c1 ZINC001241833618 1309562463 /nfs/dbraw/zinc/56/24/63/1309562463.db2.gz FYZUZXMZZVUCMS-UHFFFAOYSA-N -2 0 336.300 2.015 20 0 EEADRL COCNC(=O)c1cccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c1 ZINC001245120434 1310032166 /nfs/dbraw/zinc/03/21/66/1310032166.db2.gz XQXDOAGYQAAJPT-UHFFFAOYSA-N -2 0 329.308 2.084 20 0 EEADRL O=c1cc(Cc2ccccc2)[n-]n1-c1ccc(S(=O)(=O)[O-])cc1 ZINC001245925782 1310189723 /nfs/dbraw/zinc/18/97/23/1310189723.db2.gz QWHNOGVNADHWEZ-UHFFFAOYSA-N -2 0 330.365 2.415 20 0 EEADRL O=P([O-])([O-])OCCNc1nc(Cl)nc2cccc(Cl)c21 ZINC001157791818 1318865627 /nfs/dbraw/zinc/86/56/27/1318865627.db2.gz ULJTXHIXJPJTOB-UHFFFAOYSA-N -2 0 338.087 2.458 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cnc1Cl ZINC001260184468 1319817644 /nfs/dbraw/zinc/81/76/44/1319817644.db2.gz MSGWPGACMPUTBG-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL CC(=O)c1sccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260184251 1319817715 /nfs/dbraw/zinc/81/77/15/1319817715.db2.gz DRRKDTBLRRNXTA-UHFFFAOYSA-N -2 0 325.367 2.450 20 0 EEADRL Cc1nc2c(cccc2[N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)o1 ZINC001260399160 1319884864 /nfs/dbraw/zinc/88/48/64/1319884864.db2.gz YVQUAANMSSVDDM-UHFFFAOYSA-N -2 0 348.336 2.341 20 0 EEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C2CC2)n1 ZINC001607217358 1351451373 /nfs/dbraw/zinc/45/13/73/1351451373.db2.gz RORGTUGDKGYXSU-UHFFFAOYSA-N -2 0 348.380 2.467 20 0 EEADRL O=C([O-])[C@@H]1CCCCCN1Cc1ncc(Br)cc1[O-] ZINC001608628998 1351729579 /nfs/dbraw/zinc/72/95/79/1351729579.db2.gz LIKAFRQOTFZDPH-NSHDSACASA-N -2 0 329.194 2.379 20 0 EEADRL O=C([O-])CC[C@@H]1CCCN(C(=O)NCc2ccccc2C(=O)[O-])C1 ZINC001608707423 1351745737 /nfs/dbraw/zinc/74/57/37/1351745737.db2.gz FLNPZXFXZDWDMV-LBPRGKRZSA-N -2 0 334.372 2.171 20 0 EEADRL O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1ccc(Cl)c([O-])c1 ZINC001608721188 1351749305 /nfs/dbraw/zinc/74/93/05/1351749305.db2.gz AWIUVZHYCLNTHK-NSHDSACASA-N -2 0 327.764 2.142 20 0 EEADRL O=C([O-])c1ccc(CNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)nc1C1CC1 ZINC001608883417 1351785928 /nfs/dbraw/zinc/78/59/28/1351785928.db2.gz MIACERYEVUBLME-GOSISDBHSA-N -2 0 344.367 2.085 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)cn1 ZINC001608913342 1351792330 /nfs/dbraw/zinc/79/23/30/1351792330.db2.gz FDQNHCCOCYAJSV-UHFFFAOYSA-N -2 0 345.336 2.236 20 0 EEADRL O=C([O-])c1cccc(C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC001608929263 1351796642 /nfs/dbraw/zinc/79/66/42/1351796642.db2.gz OJEUQHYOGXEPAO-UHFFFAOYSA-N -2 0 339.756 2.157 20 0 EEADRL O=C([O-])c1csc(NC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)c1 ZINC001608993033 1351810127 /nfs/dbraw/zinc/81/01/27/1351810127.db2.gz BMRGYKXXQVYCHS-UHFFFAOYSA-N -2 0 331.309 2.042 20 0 EEADRL CC(C)C[C@@H](CNC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)C(=O)[O-] ZINC001609692823 1352060797 /nfs/dbraw/zinc/06/07/97/1352060797.db2.gz SMDJDQDWFYGKJL-STQMWFEESA-N -2 0 342.436 2.266 20 0 EEADRL CC1(CC(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])CCCC1 ZINC001609822469 1352094410 /nfs/dbraw/zinc/09/44/10/1352094410.db2.gz OIQXWGTYIQEMDN-UHFFFAOYSA-N -2 0 331.415 2.222 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cc3c(cn2)CCC3)ccc1C(=O)[O-] ZINC001610478159 1352229458 /nfs/dbraw/zinc/22/94/58/1352229458.db2.gz ROJHEHQFGHNSTO-UHFFFAOYSA-N -2 0 332.381 2.378 20 0 EEADRL Cc1ccsc1S(=O)(=O)[N-]c1nc2c(cccc2C(=O)[O-])[nH]1 ZINC001610537802 1352240903 /nfs/dbraw/zinc/24/09/03/1352240903.db2.gz WPQNMBBKWOSDJR-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL CC(C)[C@@H](NS(=O)(=O)c1ccccc1[O-])c1nc(C2CC2)no1 ZINC000849373571 1339155377 /nfs/dbraw/zinc/15/53/77/1339155377.db2.gz SCIMHCPEGUEKDO-CYBMUJFWSA-N -2 0 337.401 2.328 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])nn1C(C)C ZINC001610579707 1352248475 /nfs/dbraw/zinc/24/84/75/1352248475.db2.gz BZZWRAJIFIVPFB-UHFFFAOYSA-N -2 0 341.389 2.481 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)CCC1CCCC1 ZINC001610580786 1352248481 /nfs/dbraw/zinc/24/84/81/1352248481.db2.gz FQIYRJKGMWQVPD-UHFFFAOYSA-N -2 0 329.374 2.062 20 0 EEADRL Cc1oc(C)c(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1C ZINC001610580787 1352248577 /nfs/dbraw/zinc/24/85/77/1352248577.db2.gz IPBOJNGMPLVFLV-UHFFFAOYSA-N -2 0 337.353 2.022 20 0 EEADRL O=C([O-])c1c(F)cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1F ZINC001610807369 1352278179 /nfs/dbraw/zinc/27/81/79/1352278179.db2.gz VGJDIUIDBLCKGW-BDAKNGLRSA-N -2 0 325.267 2.269 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)s2)c1 ZINC001610867421 1352287866 /nfs/dbraw/zinc/28/78/66/1352287866.db2.gz LIDVHLOAWDRMRH-UHFFFAOYSA-N -2 0 342.276 2.254 20 0 EEADRL CC(C)(C)c1ccc(-c2nn[nH]n2)c(NC[C@H](C(=O)[O-])C2CCC2)n1 ZINC001589222404 1348971969 /nfs/dbraw/zinc/97/19/69/1348971969.db2.gz XSOWSKWNNAHCPI-LBPRGKRZSA-N -2 0 344.419 2.472 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])cccc1C(F)(F)F ZINC001600055438 1349962636 /nfs/dbraw/zinc/96/26/36/1349962636.db2.gz SSHPOUCEIVNHHG-UHFFFAOYSA-N -2 0 349.290 2.236 20 0 EEADRL Cc1cc(C)nc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)n1 ZINC001600183001 1349987699 /nfs/dbraw/zinc/98/76/99/1349987699.db2.gz OHLJKXRKGDPUFS-UHFFFAOYSA-N -2 0 339.348 2.040 20 0 EEADRL Cc1cc(Cl)ccc1NC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC001600220879 1349996130 /nfs/dbraw/zinc/99/61/30/1349996130.db2.gz IXCZWDJRRAXQJL-CABZTGNLSA-N -2 0 340.763 2.430 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])s2)c(C)c1 ZINC001600478291 1350061229 /nfs/dbraw/zinc/06/12/29/1350061229.db2.gz QQWGGKXEIHMLGB-UHFFFAOYSA-N -2 0 339.394 2.182 20 0 EEADRL Cc1cccc(NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)c1C(=O)[O-] ZINC001600542329 1350077653 /nfs/dbraw/zinc/07/76/53/1350077653.db2.gz INFDDCIXYFHMAK-UHFFFAOYSA-N -2 0 349.364 2.333 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(C3CC3)nn2)c1C(=O)[O-] ZINC001600838409 1350148741 /nfs/dbraw/zinc/14/87/41/1350148741.db2.gz KCCQPVTWJWJRDB-UHFFFAOYSA-N -2 0 337.357 2.063 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2cc(-c3cccnc3)on2)cc1C(=O)[O-] ZINC001600856177 1350153433 /nfs/dbraw/zinc/15/34/33/1350153433.db2.gz WDXHNGITIDHUCV-UHFFFAOYSA-N -2 0 349.324 2.137 20 0 EEADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)c1ccccc1Cl ZINC001601562556 1350307252 /nfs/dbraw/zinc/30/72/52/1350307252.db2.gz UBLDPTVURFAFAC-UHFFFAOYSA-N -2 0 345.785 2.218 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1cccc(Cl)c1 ZINC001601791771 1350365028 /nfs/dbraw/zinc/36/50/28/1350365028.db2.gz BMSFEAWKYPXPEE-GZMMTYOYSA-N -2 0 326.736 2.122 20 0 EEADRL O=C([O-])C[C@H](NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C1CC1 ZINC001601907676 1350395239 /nfs/dbraw/zinc/39/52/39/1350395239.db2.gz QLWLBTMRNBRDNB-LBPRGKRZSA-N -2 0 349.774 2.214 20 0 EEADRL O=C([O-])CCCc1nnc(NC(=O)c2ncnc3sccc32)s1 ZINC001602003452 1350415660 /nfs/dbraw/zinc/41/56/60/1350415660.db2.gz TYWLRVZQLYEBCU-UHFFFAOYSA-N -2 0 349.397 2.202 20 0 EEADRL O=C([O-])c1cc(C(=O)[N-]c2n[nH]c(-c3cc4ccccc4o3)n2)on1 ZINC001602248987 1350476339 /nfs/dbraw/zinc/47/63/39/1350476339.db2.gz IGRCVAZRCLRSPK-UHFFFAOYSA-N -2 0 339.267 2.156 20 0 EEADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccnn2C2CC2)c1 ZINC001602264444 1350481230 /nfs/dbraw/zinc/48/12/30/1350481230.db2.gz OVAQJWHJGGVSNB-UHFFFAOYSA-N -2 0 341.776 2.370 20 0 EEADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cnn(C3CCC3)c2)c1 ZINC001602273919 1350482989 /nfs/dbraw/zinc/48/29/89/1350482989.db2.gz BZWXEPLSICKGTO-UHFFFAOYSA-N -2 0 339.348 2.246 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2nc3c(s2)CSCC3)c1 ZINC001602559342 1350546667 /nfs/dbraw/zinc/54/66/67/1350546667.db2.gz LITIJAWUYCJDOH-UHFFFAOYSA-N -2 0 346.411 2.024 20 0 EEADRL O=Cc1ccc(-c2ccc(C(=O)N(CC(=O)[O-])C3CC3)c([O-])c2)o1 ZINC001602665888 1350569299 /nfs/dbraw/zinc/56/92/99/1350569299.db2.gz UXDGDNNXCOFIBJ-UHFFFAOYSA-N -2 0 329.308 2.154 20 0 EEADRL C[C@@](NC(=O)c1cccc(Br)c1[O-])(C(=O)[O-])C1CC1 ZINC001604315623 1350913877 /nfs/dbraw/zinc/91/38/77/1350913877.db2.gz ZHPCZUKLIHKXNU-ZDUSSCGKSA-N -2 0 328.162 2.138 20 0 EEADRL CC1(C)CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001604532536 1350956581 /nfs/dbraw/zinc/95/65/81/1350956581.db2.gz VGSIEUWMWSNPOE-VIFPVBQESA-N -2 0 345.442 2.468 20 0 EEADRL CC[C@@](C)(NC(=O)c1nn(-c2cc(C)ccc2F)cc1[O-])C(=O)[O-] ZINC001604913321 1351031053 /nfs/dbraw/zinc/03/10/53/1351031053.db2.gz SNHTXUDAJUZJJG-MRXNPFEDSA-N -2 0 335.335 2.009 20 0 EEADRL CCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001605207177 1351103001 /nfs/dbraw/zinc/10/30/01/1351103001.db2.gz VKMAGTYQTQZEQT-JTQLQIEISA-N -2 0 345.392 2.084 20 0 EEADRL CCC[C@@H](NC(=O)c1nn(-c2cc(C)ccc2F)cc1[O-])C(=O)[O-] ZINC001605353952 1351143405 /nfs/dbraw/zinc/14/34/05/1351143405.db2.gz LEKJCOBNAIEUCV-LLVKDONJSA-N -2 0 335.335 2.009 20 0 EEADRL CC[C@H]([N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001605761933 1351221781 /nfs/dbraw/zinc/22/17/81/1351221781.db2.gz UZIITCJUUXTGFZ-JTQLQIEISA-N -2 0 325.308 2.145 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(C2CC2)nn1C ZINC001607598642 1351522019 /nfs/dbraw/zinc/52/20/19/1351522019.db2.gz OFRKKQXNRUODSV-UHFFFAOYSA-N -2 0 335.385 2.105 20 0 EEADRL Cc1cc(C)cc(C(=O)[N-]S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC001607623924 1351527692 /nfs/dbraw/zinc/52/76/92/1351527692.db2.gz BGYHOLZJXBLMES-UHFFFAOYSA-N -2 0 348.380 2.088 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2sc(C(=O)[O-])c(Cl)c2C)n(C)n1 ZINC001607697910 1351541346 /nfs/dbraw/zinc/54/13/46/1351541346.db2.gz YKGJZMYXDMAJIA-UHFFFAOYSA-N -2 0 349.821 2.251 20 0 EEADRL Cc1oc(C(=O)[O-])cc1C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1 ZINC001608033731 1351610691 /nfs/dbraw/zinc/61/06/91/1351610691.db2.gz LUCYKSKLCRWURT-SNVBAGLBSA-N -2 0 337.353 2.107 20 0 EEADRL CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1cc(C#N)ccc1[O-])C(=O)C2 ZINC000183350308 1405834907 /nfs/dbraw/zinc/83/49/07/1405834907.db2.gz ROAPMUPNJOZSCR-SJKOYZFVSA-N -2 0 348.424 2.401 20 0 EEADRL CC(=O)[N-]S(=O)(=O)c1ccc(Nc2ccc(C(=O)[O-])cc2C)cc1 ZINC001211623063 761174062 /nfs/dbraw/zinc/17/40/62/761174062.db2.gz WHBBPXYOOFPWIA-UHFFFAOYSA-N -2 0 348.380 2.262 20 0 EEADRL CO[C@@H]1CCC[C@@H]([C@@H](NC(=O)c2ccc([O-])c(Cl)c2)C(=O)[O-])C1 ZINC000909906849 786337040 /nfs/dbraw/zinc/33/70/40/786337040.db2.gz HUIUSYGEMABZCB-GLXFQSAKSA-N -2 0 341.791 2.434 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(F)c3ccccc23)C1 ZINC000910183341 786515185 /nfs/dbraw/zinc/51/51/85/786515185.db2.gz AURFTVUTPOETBX-BONVTDFDSA-N -2 0 345.326 2.369 20 0 EEADRL C[C@@H]1C[C@H](C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)O[C@H]1C(=O)[O-] ZINC000911807034 787735862 /nfs/dbraw/zinc/73/58/62/787735862.db2.gz SZXIOKMFNOQDKW-GGZOMVNGSA-N -2 0 347.289 2.131 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccsc1C(F)F ZINC000923102742 788815867 /nfs/dbraw/zinc/81/58/67/788815867.db2.gz ODBBTTCOXILNFA-POYBYMJQSA-N -2 0 333.312 2.076 20 0 EEADRL O=C(Nc1ccc2c(c1)N=NC2)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148926423 792815153 /nfs/dbraw/zinc/81/51/53/792815153.db2.gz NFRWFHXUFSEFKT-UHFFFAOYSA-N -2 0 333.325 2.489 20 0 EEADRL O=C([O-])c1cc(NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])ccn1 ZINC001595214593 952369163 /nfs/dbraw/zinc/36/91/63/952369163.db2.gz PWCIPYBMORGUJP-UHFFFAOYSA-N -2 0 342.286 2.063 20 0 EEADRL O=C([O-])C1CCN(C(=O)c2cc(Br)c(F)cc2[O-])CC1 ZINC001594925940 954817353 /nfs/dbraw/zinc/81/73/53/954817353.db2.gz XGCGBWIRNXNFOB-UHFFFAOYSA-N -2 0 346.152 2.231 20 0 EEADRL O=C([O-])CC[C@H]1Cc2ccccc2N(C(=O)c2ncccc2[O-])C1 ZINC000902822179 956812612 /nfs/dbraw/zinc/81/26/12/956812612.db2.gz RODGYIQUKFTQHB-LBPRGKRZSA-N -2 0 326.352 2.471 20 0 EEADRL CCOc1ncccc1[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000037040789 957260475 /nfs/dbraw/zinc/26/04/75/957260475.db2.gz ORBNSAUPLIXCSC-UHFFFAOYSA-N -2 0 328.371 2.041 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2)s1 ZINC000072759571 957736330 /nfs/dbraw/zinc/73/63/30/957736330.db2.gz XGMSAWHPRFKPPN-UHFFFAOYSA-N -2 0 349.393 2.433 20 0 EEADRL CC(C)[C@@H](NC(=O)c1cc(Br)c(F)cc1[O-])C(=O)[O-] ZINC001573558077 959257137 /nfs/dbraw/zinc/25/71/37/959257137.db2.gz CQLRICOZODUFQI-SNVBAGLBSA-N -2 0 334.141 2.133 20 0 EEADRL O=C([O-])[C@@H]1CN(C(=O)c2ccc3[n-]c(=S)oc3c2)C[C@H]1C1CC1 ZINC001341207346 962115126 /nfs/dbraw/zinc/11/51/26/962115126.db2.gz ZOAJYKGRHYHASF-WDEREUQCSA-N -2 0 332.381 2.299 20 0 EEADRL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cncc(C(=O)[O-])c1 ZINC000316773453 964053773 /nfs/dbraw/zinc/05/37/73/964053773.db2.gz CXXSEVOGPDLLTJ-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(C(=O)[O-])[nH]1 ZINC000317473437 970363157 /nfs/dbraw/zinc/36/31/57/970363157.db2.gz CKRLUDJPVDRHSU-UHFFFAOYSA-N -2 0 339.760 2.347 20 0 EEADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC000863954601 979676801 /nfs/dbraw/zinc/67/68/01/979676801.db2.gz GOZOGUCLTOJDPZ-JTQLQIEISA-N -2 0 327.402 2.189 20 0 EEADRL CCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001595571531 981480057 /nfs/dbraw/zinc/48/00/57/981480057.db2.gz RXZZKOXCKONVGE-MRVPVSSYSA-N -2 0 349.355 2.294 20 0 EEADRL CCC(C)(CC)C(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001594829151 982003188 /nfs/dbraw/zinc/00/31/88/982003188.db2.gz BBKUSWRRXJUTFQ-UHFFFAOYSA-N -2 0 349.355 2.294 20 0 EEADRL CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nn2)cc1 ZINC001595014655 982955045 /nfs/dbraw/zinc/95/50/45/982955045.db2.gz WWTSZKCVRVAJPU-SNVBAGLBSA-N -2 0 335.385 2.489 20 0 EEADRL CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)C1 ZINC001589605808 987451529 /nfs/dbraw/zinc/45/15/29/987451529.db2.gz PUTIRDGEYUFFDZ-JYKYSHPRSA-N -2 0 335.356 2.340 20 0 EEADRL CCc1nc(CNCc2ccc(C(=O)[O-])cc2F)ccc1C(=O)[O-] ZINC001597673685 988776203 /nfs/dbraw/zinc/77/62/03/988776203.db2.gz DSBUXAKTVPUBTG-UHFFFAOYSA-N -2 0 332.331 2.469 20 0 EEADRL CCc1ncc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC)s1 ZINC001597702890 988933347 /nfs/dbraw/zinc/93/33/47/988933347.db2.gz QIJKZCXOUMVBKX-UHFFFAOYSA-N -2 0 342.398 2.213 20 0 EEADRL CS[C@@H](C)CCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC001599782335 992381055 /nfs/dbraw/zinc/38/10/55/992381055.db2.gz AGYSKIKYOQZBHR-JTQLQIEISA-N -2 0 345.442 2.030 20 0 EEADRL C[C@H](Sc1ccccc1C(=O)NCCC(C)(C)C(=O)[O-])C(=O)[O-] ZINC001593673121 996081776 /nfs/dbraw/zinc/08/17/76/996081776.db2.gz OKMMLDCVSLNZJF-JTQLQIEISA-N -2 0 339.413 2.483 20 0 EEADRL CC1(C)CC(CC(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC001593849519 996625982 /nfs/dbraw/zinc/62/59/82/996625982.db2.gz SSLOUARMDUQYID-UHFFFAOYSA-N -2 0 339.413 2.157 20 0 EEADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C)c1O ZINC001599383458 996900446 /nfs/dbraw/zinc/90/04/46/996900446.db2.gz FLJGSDVZWLAIKW-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL C[C@]1([N-]C(=O)C(F)(F)F)CCN(Cc2ccc(C(=O)[O-])cc2F)C1 ZINC001594051675 997746670 /nfs/dbraw/zinc/74/66/70/997746670.db2.gz JMBBCTBGXONRMZ-AWEZNQCLSA-N -2 0 348.296 2.167 20 0 EEADRL COc1cc(S(=O)(=O)[N-]c2sccc2C(=O)[O-])ccc1F ZINC001599461269 998277521 /nfs/dbraw/zinc/27/75/21/998277521.db2.gz NWWZAYUDRAUMGP-UHFFFAOYSA-N -2 0 331.346 2.395 20 0 EEADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000174729917 231292832 /nfs/dbraw/zinc/29/28/32/231292832.db2.gz FJJNVQLUXIYGJU-UHFFFAOYSA-N -2 0 337.401 2.190 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000438806219 242050781 /nfs/dbraw/zinc/05/07/81/242050781.db2.gz PEIPRJFJFUTYNS-UHFFFAOYSA-N -3 0 339.300 2.023 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cccc(F)c2F)c(C(=O)[O-])c1 ZINC000341797544 161014256 /nfs/dbraw/zinc/01/42/56/161014256.db2.gz HMZQSXUOPJDFLU-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000360229234 164263063 /nfs/dbraw/zinc/26/30/63/164263063.db2.gz BAFOTFLSNJHGGV-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c2n[nH]cc21 ZINC000360868410 164393324 /nfs/dbraw/zinc/39/33/24/164393324.db2.gz AKZDZWMRPXRRAH-UHFFFAOYSA-N -2 0 345.380 2.299 20 0 EEADRL CC(C)c1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cn1 ZINC000279822240 269309131 /nfs/dbraw/zinc/30/91/31/269309131.db2.gz DBKMQBJPLBRNOU-UHFFFAOYSA-N -2 0 327.387 2.161 20 0 EEADRL Cc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)c1 ZINC000436994527 315021670 /nfs/dbraw/zinc/02/16/70/315021670.db2.gz DLBJVMFMUWGRBP-UHFFFAOYSA-N -2 0 337.353 2.214 20 0 EEADRL CCc1nn(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000091021614 462821342 /nfs/dbraw/zinc/82/13/42/462821342.db2.gz FXHIRXMNVQHJNG-UHFFFAOYSA-N -2 0 343.792 2.135 20 0 EEADRL CCCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cn1 ZINC000078938760 463168467 /nfs/dbraw/zinc/16/84/67/463168467.db2.gz RBMSMELHTIJVCF-UHFFFAOYSA-N -2 0 337.401 2.409 20 0 EEADRL Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000055570332 463333113 /nfs/dbraw/zinc/33/31/13/463333113.db2.gz XZRKAYHKNHNRSE-UHFFFAOYSA-N -2 0 349.412 2.025 20 0 EEADRL CC(=O)c1cccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000070156453 463373884 /nfs/dbraw/zinc/37/38/84/463373884.db2.gz SNHXXLDJVIKZGS-UHFFFAOYSA-N -2 0 325.367 2.450 20 0 EEADRL O=C([O-])CCNS(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000261650105 463816615 /nfs/dbraw/zinc/81/66/15/463816615.db2.gz HPWKNFZSICAJAH-UHFFFAOYSA-N -2 0 331.699 2.112 20 0 EEADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cc(C)c(C)cc1C(=O)[O-] ZINC000194612049 463896459 /nfs/dbraw/zinc/89/64/59/463896459.db2.gz VJLZRTUZQJTZGD-UHFFFAOYSA-N -2 0 337.401 2.153 20 0 EEADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)cc1 ZINC000284922950 464394205 /nfs/dbraw/zinc/39/42/05/464394205.db2.gz ATPORUGQDQPUBY-UHFFFAOYSA-N -2 0 349.412 2.037 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(F)ccc1O ZINC000357408299 466012960 /nfs/dbraw/zinc/01/29/60/466012960.db2.gz IMWVWJKUWGDZBQ-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c(C)c1 ZINC000315201887 466559181 /nfs/dbraw/zinc/55/91/81/466559181.db2.gz LZWQDTMSHZIPTR-UHFFFAOYSA-N -2 0 325.342 2.404 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1O ZINC000318204435 466586148 /nfs/dbraw/zinc/58/61/48/466586148.db2.gz PSADUTHEKWAKIE-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL C[C@H]([C@@H](NS(=O)(=O)c1c(F)cccc1Cl)C(=O)[O-])C1CC1 ZINC000548990808 468164685 /nfs/dbraw/zinc/16/46/85/468164685.db2.gz USXXDVIGZJHPNZ-WRWORJQWSA-N -2 0 335.784 2.257 20 0 EEADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000663040342 472336622 /nfs/dbraw/zinc/33/66/22/472336622.db2.gz YFCCBJNDNULQDY-SNVBAGLBSA-N -2 0 337.401 2.102 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(Cl)cnc2N)cc(C(=O)[O-])c1 ZINC000507567955 485504206 /nfs/dbraw/zinc/50/42/06/485504206.db2.gz OCYJVHKMDZWERI-UHFFFAOYSA-N -2 0 341.776 2.125 20 0 EEADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)c1 ZINC000674050343 485624500 /nfs/dbraw/zinc/62/45/00/485624500.db2.gz MYDPCAQNZDCEKG-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL C[C@H](c1ccccc1)N(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000751207612 577749287 /nfs/dbraw/zinc/74/92/87/577749287.db2.gz BPOQIDBYTGWDNM-LLVKDONJSA-N -2 0 335.381 2.472 20 0 EEADRL CCCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)cn1 ZINC000749144954 577971761 /nfs/dbraw/zinc/97/17/61/577971761.db2.gz GUHOJWBUXYFGIP-UHFFFAOYSA-N -2 0 341.364 2.240 20 0 EEADRL O=C([O-])CCc1nnc(NC(=O)c2ccc(Cl)cc2[O-])s1 ZINC000739778685 578067537 /nfs/dbraw/zinc/06/75/37/578067537.db2.gz XZQMIGDZCSVORG-UHFFFAOYSA-N -2 0 327.749 2.167 20 0 EEADRL O=C([O-])COc1cccc(CNC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000739833985 578069381 /nfs/dbraw/zinc/06/93/81/578069381.db2.gz CNAVKPGMWFBBDA-UHFFFAOYSA-N -2 0 335.743 2.439 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)C2CCCCCC2)s1 ZINC000740172663 578083895 /nfs/dbraw/zinc/08/38/95/578083895.db2.gz CLULZCCZZGKDLH-UHFFFAOYSA-N -2 0 331.415 2.222 20 0 EEADRL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])s1 ZINC000736722178 578220159 /nfs/dbraw/zinc/22/01/59/578220159.db2.gz BLIJFAODLVMUOY-SECBINFHSA-N -2 0 339.394 2.267 20 0 EEADRL CCc1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)n1 ZINC000737273829 578247513 /nfs/dbraw/zinc/24/75/13/578247513.db2.gz BQIBXUFBOJHYMP-UHFFFAOYSA-N -2 0 348.352 2.483 20 0 EEADRL O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000315227887 597313424 /nfs/dbraw/zinc/31/34/24/597313424.db2.gz QKNJHGULWJYHCN-UHFFFAOYSA-N -2 0 327.308 2.393 20 0 EEADRL O=C([O-])C1CCC(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)CC1 ZINC000821374718 598133226 /nfs/dbraw/zinc/13/32/26/598133226.db2.gz MTCGURLFYQYGSW-UHFFFAOYSA-N -2 0 345.395 2.006 20 0 EEADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cn2)c1 ZINC000088248269 600103143 /nfs/dbraw/zinc/10/31/43/600103143.db2.gz VJFWXXCQVQQFMK-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1 ZINC000321333137 600530500 /nfs/dbraw/zinc/53/05/00/600530500.db2.gz UMBIKPMJJDPUKK-NSHDSACASA-N -2 0 337.401 2.282 20 0 EEADRL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])c(F)c1 ZINC000832913604 601141738 /nfs/dbraw/zinc/14/17/38/601141738.db2.gz LLOLUWHZGFPCCR-UHFFFAOYSA-N -2 0 343.357 2.013 20 0 EEADRL CC[C@@](C)(NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-])C(=O)[O-] ZINC000828692761 601245955 /nfs/dbraw/zinc/24/59/55/601245955.db2.gz LWQMICYVNIAQKX-MRXNPFEDSA-N -2 0 335.335 2.009 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000324885495 601474289 /nfs/dbraw/zinc/47/42/89/601474289.db2.gz MZZOWNUGQFCYGB-UHFFFAOYSA-N -2 0 349.364 2.121 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N(CC)CCC(=O)[O-])n1 ZINC000830270434 601757382 /nfs/dbraw/zinc/75/73/82/601757382.db2.gz UIAJMLFHIJWQSN-UHFFFAOYSA-N -2 0 331.372 2.077 20 0 EEADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000833347345 602156584 /nfs/dbraw/zinc/15/65/84/602156584.db2.gz ZIZLJEYEYLXVJR-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL Cc1noc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c1C ZINC000833022504 602212749 /nfs/dbraw/zinc/21/27/49/602212749.db2.gz TZFRULYYSKJYQD-UHFFFAOYSA-N -2 0 330.749 2.444 20 0 EEADRL CC(C)c1cccc(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n1 ZINC000827129552 602347576 /nfs/dbraw/zinc/34/75/76/602347576.db2.gz RKLCTEHHJOYGIH-UHFFFAOYSA-N -2 0 348.380 2.022 20 0 EEADRL COc1cc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1F ZINC000833729147 605188120 /nfs/dbraw/zinc/18/81/20/605188120.db2.gz OJZMCUXPXLTVCI-UHFFFAOYSA-N -2 0 333.268 2.065 20 0 EEADRL CCOc1ncccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1CC ZINC000833665778 605418629 /nfs/dbraw/zinc/41/86/29/605418629.db2.gz XSZGNJGDOXFEBU-UHFFFAOYSA-N -2 0 340.357 2.135 20 0 EEADRL COCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000313800582 692277632 /nfs/dbraw/zinc/27/76/32/692277632.db2.gz ICYUQDVRYDDALV-UHFFFAOYSA-N -2 0 327.383 2.394 20 0 EEADRL Cc1nc(N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)sc1C(=O)[O-] ZINC000900964260 1235053342 /nfs/dbraw/zinc/05/33/42/1235053342.db2.gz FZEAYASYWNAREN-NEPJUHHUSA-N -2 0 332.381 2.454 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1ncn2C ZINC001185918228 1278868803 /nfs/dbraw/zinc/86/88/03/1278868803.db2.gz MRQMZYHUPGVUGX-UHFFFAOYSA-N -2 0 345.380 2.381 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)nc(C)n1 ZINC001187539920 1279577691 /nfs/dbraw/zinc/57/76/91/1279577691.db2.gz GUDMIPOHIAVTPN-UHFFFAOYSA-N -2 0 341.776 2.246 20 0 EEADRL Cc1ccc(CO)cc1NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189860294 1280523045 /nfs/dbraw/zinc/52/30/45/1280523045.db2.gz DARYXERSBLCKFV-UHFFFAOYSA-N -2 0 337.268 2.211 20 0 EEADRL COC(=O)c1cc(F)c(OC)nc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242159365 1309622325 /nfs/dbraw/zinc/62/23/25/1309622325.db2.gz IVSDBEXNVXRMDL-UHFFFAOYSA-N -2 0 349.270 2.079 20 0 EEADRL CCCNC(=O)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc1 ZINC001242160158 1309622969 /nfs/dbraw/zinc/62/29/69/1309622969.db2.gz DKDHTSHXKNZQKF-UHFFFAOYSA-N -2 0 328.324 2.285 20 0 EEADRL COC(=O)c1nc(C(C)C)ncc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242163660 1309624964 /nfs/dbraw/zinc/62/49/64/1309624964.db2.gz FBXYMUARINWYIG-UHFFFAOYSA-N -2 0 344.323 2.450 20 0 EEADRL O=P([O-])([O-])Oc1ccccc1-c1nnc(C2CCOCC2)o1 ZINC001255738772 1318525642 /nfs/dbraw/zinc/52/56/42/1318525642.db2.gz MLTAWKQZRRTOON-UHFFFAOYSA-N -2 0 326.245 2.102 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncccc2O)c(F)cc1Cl ZINC001259213433 1319488906 /nfs/dbraw/zinc/48/89/06/1319488906.db2.gz SVGNNTLFDOQOFA-UHFFFAOYSA-N -2 0 346.723 2.079 20 0 EEADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001603669142 1350738965 /nfs/dbraw/zinc/73/89/65/1350738965.db2.gz SPAWCIJJFPCLAP-UHFFFAOYSA-N -2 0 346.305 2.099 20 0 EEADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001607617759 1351526156 /nfs/dbraw/zinc/52/61/56/1351526156.db2.gz KBFASQVNFMLEEQ-UHFFFAOYSA-N -3 0 339.325 2.094 20 0 EEADRL O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@]1(C(=O)[O-])CC=CCC1)CC2 ZINC001608922229 1351794921 /nfs/dbraw/zinc/79/49/21/1351794921.db2.gz CKUKXVMKDOSHGE-GOSISDBHSA-N -2 0 329.352 2.081 20 0 EEADRL CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(-c3nnn[n-]3)o2)c1 ZINC001609181969 1351879323 /nfs/dbraw/zinc/87/93/23/1351879323.db2.gz IOMPWJMFCPFTRJ-UHFFFAOYSA-N -2 0 327.300 2.010 20 0 EEADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cccc(C2CCC2)c1 ZINC001609639100 1352048121 /nfs/dbraw/zinc/04/81/21/1352048121.db2.gz QWLQRXVQCUJKNO-GHMZBOCLSA-N -2 0 339.413 2.123 20 0 EEADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CC1CCC(C)(C)CC1 ZINC001609639067 1352048156 /nfs/dbraw/zinc/04/81/56/1352048156.db2.gz QEZYAZZLMQLRKE-MNOVXSKESA-N -2 0 333.450 2.148 20 0 EEADRL C[C@@H](O[C@H](C)C(=O)Nc1cc2ccccc2cc1C(=O)[O-])C(=O)[O-] ZINC001609801184 1352088310 /nfs/dbraw/zinc/08/83/10/1352088310.db2.gz WOFGCPQTBLPYNV-NXEZZACHSA-N -2 0 331.324 2.355 20 0 EEADRL CCOC(=O)c1cnc(/C=C\c2c[nH]c(C(=O)[O-])c2)c(C(=O)[O-])c1 ZINC001610024459 1352143911 /nfs/dbraw/zinc/14/39/11/1352143911.db2.gz XBRACQNMFCCZPI-ARJAWSKDSA-N -2 0 330.296 2.153 20 0 EEADRL CCc1[nH]c(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c(C)c1C(=O)[O-] ZINC001610053007 1352150914 /nfs/dbraw/zinc/15/09/14/1352150914.db2.gz OXWVJQDYEXYSET-WXHSDQCUSA-N -2 0 348.399 2.442 20 0 EEADRL Cc1cc(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)sc1C(=O)[O-] ZINC001610471956 1352228214 /nfs/dbraw/zinc/22/82/14/1352228214.db2.gz UACJOXRUOFKRGP-UHFFFAOYSA-N -2 0 338.307 2.150 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])oc1C ZINC001610558640 1352244466 /nfs/dbraw/zinc/24/44/66/1352244466.db2.gz QWJRWBALHHOLGX-UHFFFAOYSA-N -2 0 330.749 2.444 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cc3ccccn3n2)c1C(=O)[O-] ZINC001610581063 1352248446 /nfs/dbraw/zinc/24/84/46/1352248446.db2.gz XXNKDPZHIQHTBO-UHFFFAOYSA-N -2 0 335.341 2.043 20 0 EEADRL O=C([O-])Cc1cccc(C(=O)[N-]S(=O)(=O)/C=C/c2ccccc2)c1 ZINC001610793733 1352275807 /nfs/dbraw/zinc/27/58/07/1352275807.db2.gz DRBAANWVJJVBGV-MDZDMXLPSA-N -2 0 345.376 2.044 20 0 EEADRL O=C([O-])c1cc(F)cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1F ZINC001610812725 1352279116 /nfs/dbraw/zinc/27/91/16/1352279116.db2.gz VHCPSKFWBDZMJA-RKDXNWHRSA-N -2 0 325.267 2.269 20 0 EEADRL O=C([O-])c1coc(COC(=O)c2nn(-c3ccccc3F)cc2[O-])c1 ZINC001610867543 1352287658 /nfs/dbraw/zinc/28/76/58/1352287658.db2.gz JYHKKFDKBYYOSU-UHFFFAOYSA-N -2 0 346.270 2.365 20 0 EEADRL Cc1cc(Cl)cc(C)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])n(C)n1 ZINC001600219047 1349995745 /nfs/dbraw/zinc/99/57/45/1349995745.db2.gz MOVNNKFJHJUBIN-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C2CC2)[nH]n1 ZINC001600225838 1349996812 /nfs/dbraw/zinc/99/68/12/1349996812.db2.gz WXOXALQACGCBGC-UHFFFAOYSA-N -2 0 339.348 2.234 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cnc3n2CCCC3)c(C(=O)[O-])s1 ZINC001600284152 1350010639 /nfs/dbraw/zinc/01/06/39/1350010639.db2.gz YRSQCVBMPBCTDC-UHFFFAOYSA-N -2 0 341.414 2.088 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)COC3)nc(C)c1C(=O)[O-] ZINC001600284094 1350010759 /nfs/dbraw/zinc/01/07/59/1350010759.db2.gz PLBQLJZTUJRVEJ-UHFFFAOYSA-N -2 0 348.380 2.228 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2nnc(CC(C)C)o2)ccc1C(=O)[O-] ZINC001600301186 1350014706 /nfs/dbraw/zinc/01/47/06/1350014706.db2.gz YYMITQQBRGUQOP-UHFFFAOYSA-N -2 0 339.373 2.076 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2ccn(CCC(C)C)n2)oc1C(=O)[O-] ZINC001600301450 1350015181 /nfs/dbraw/zinc/01/51/81/1350015181.db2.gz IZPMVRBPHVRFCU-UHFFFAOYSA-N -2 0 341.389 2.330 20 0 EEADRL Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cncc(C(=O)[O-])c1 ZINC001600501697 1350067777 /nfs/dbraw/zinc/06/77/77/1350067777.db2.gz HXKFPTQKEUQHLI-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)oc1C ZINC001600717724 1350120292 /nfs/dbraw/zinc/12/02/92/1350120292.db2.gz NHHRGOBSDCQWII-UHFFFAOYSA-N -2 0 328.321 2.238 20 0 EEADRL Cc1oc(-c2ccccc2)cc1C(=O)N(CCC(=O)[O-])CC(=O)[O-] ZINC001600820831 1350144129 /nfs/dbraw/zinc/14/41/29/1350144129.db2.gz HTAHEONFLZTJLN-UHFFFAOYSA-N -2 0 331.324 2.257 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001600834551 1350147661 /nfs/dbraw/zinc/14/76/61/1350147661.db2.gz VHNIKFAGVVFZIT-WCABBAIRSA-N -2 0 343.401 2.163 20 0 EEADRL O=C([O-])C1(CNC(=O)CSc2n[n-]c(=S)s2)CCCCC1 ZINC001601351423 1350263727 /nfs/dbraw/zinc/26/37/27/1350263727.db2.gz VAVVBRUYSJIDHR-UHFFFAOYSA-N -2 0 347.487 2.070 20 0 EEADRL O=C([O-])[C@@H](CC(F)(F)F)NC(=O)c1ccc2oc(=S)[n-]c2c1 ZINC001601405861 1350276797 /nfs/dbraw/zinc/27/67/97/1350276797.db2.gz FVXGUNDOLOLQJZ-SSDOTTSWSA-N -2 0 334.275 2.252 20 0 EEADRL O=C([O-])c1ccc(NC(=O)C(=O)[N-]OCCC2CC2)c2ccccc12 ZINC001601563420 1350307488 /nfs/dbraw/zinc/30/74/88/1350307488.db2.gz ZGEDCYHKVIBBLP-UHFFFAOYSA-N -2 0 342.351 2.324 20 0 EEADRL O=C([O-])[C@@H](CNC(=O)[C@H](C(=O)[O-])C1CCCC1)c1ccc(F)cc1 ZINC001601648563 1350328082 /nfs/dbraw/zinc/32/80/82/1350328082.db2.gz MMNWRQZEPDYXIG-UONOGXRCSA-N -2 0 337.347 2.001 20 0 EEADRL O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2nccc(Br)c2[O-])C1 ZINC001601805174 1350368780 /nfs/dbraw/zinc/36/87/80/1350368780.db2.gz GLWNJZHZRDOXHM-JGVFFNPUSA-N -2 0 343.177 2.379 20 0 EEADRL O=C([O-])C[C@@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])C1CCCC1 ZINC001601907660 1350395173 /nfs/dbraw/zinc/39/51/73/1350395173.db2.gz QBKLUVKMCCRCDK-CQSZACIVSA-N -2 0 343.383 2.341 20 0 EEADRL O=C([O-])CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1[O-] ZINC001601974080 1350408432 /nfs/dbraw/zinc/40/84/32/1350408432.db2.gz WMZYNQVNMMFXPE-AWEZNQCLSA-N -2 0 349.408 2.147 20 0 EEADRL O=C([O-])CCc1ccc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC001602040195 1350424209 /nfs/dbraw/zinc/42/42/09/1350424209.db2.gz INXSOGTXUYIKSX-ZDUSSCGKSA-N -2 0 334.372 2.422 20 0 EEADRL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C(=O)C2CCCCC2)c1F ZINC001602228422 1350471232 /nfs/dbraw/zinc/47/12/32/1350471232.db2.gz OKBLSLASJLMNCI-UHFFFAOYSA-N -2 0 347.339 2.048 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccc(-c3ccccc3)o2)on1 ZINC001602296583 1350487859 /nfs/dbraw/zinc/48/78/59/1350487859.db2.gz FYGRBNTUWUKSDJ-UHFFFAOYSA-N -2 0 348.336 2.111 20 0 EEADRL O=C([O-])c1cccc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c1 ZINC001602432692 1350518568 /nfs/dbraw/zinc/51/85/68/1350518568.db2.gz YJGBJFBKKWWSLV-MNOVXSKESA-N -2 0 345.273 2.110 20 0 EEADRL CC(C)[C@@]1(C(=O)[O-])C[C@H]1C(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001603746461 1350757277 /nfs/dbraw/zinc/75/72/77/1350757277.db2.gz VVQCQNGKCMTOOY-VFZGTOFNSA-N -2 0 327.283 2.348 20 0 EEADRL C[C@H](CCC[C@@H](C)C(=O)[O-])NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC001604132506 1350868323 /nfs/dbraw/zinc/86/83/23/1350868323.db2.gz PKFMMRSVXKRXHL-RKDXNWHRSA-N -2 0 349.430 2.004 20 0 EEADRL C[C@@H]1CCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001604727037 1350992240 /nfs/dbraw/zinc/99/22/40/1350992240.db2.gz UEFXUAHUJULQIY-RKDXNWHRSA-N -2 0 331.415 2.078 20 0 EEADRL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001605672224 1351214431 /nfs/dbraw/zinc/21/44/31/1351214431.db2.gz SHJFIRYHYDYMRQ-UHFFFAOYSA-N -2 0 340.332 2.118 20 0 EEADRL COc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(C)oc1C ZINC001607141016 1351437076 /nfs/dbraw/zinc/43/70/76/1351437076.db2.gz ISKMSXCVQAGMNW-UHFFFAOYSA-N -2 0 325.342 2.404 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2ccsc2)c(OC)c1C(=O)[O-] ZINC001607290054 1351465822 /nfs/dbraw/zinc/46/58/22/1351465822.db2.gz YFUWGCHNTHNAOM-UHFFFAOYSA-N -2 0 343.382 2.264 20 0 EEADRL Cc1cc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])oc1C(=O)[O-] ZINC001607571332 1351517363 /nfs/dbraw/zinc/51/73/63/1351517363.db2.gz NCXGCWGUEAPCBE-CYBMUJFWSA-N -2 0 329.308 2.110 20 0 EEADRL Cc1csc(C(=O)[O-])c1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC001607923628 1351586454 /nfs/dbraw/zinc/58/64/54/1351586454.db2.gz PYXPZYTWRWCSMH-UHFFFAOYSA-N -2 0 329.403 2.333 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)oc1C ZINC001607966252 1351594547 /nfs/dbraw/zinc/59/45/47/1351594547.db2.gz NWQGOGCRNCYUDW-UHFFFAOYSA-N -2 0 336.369 2.208 20 0 EEADRL Cc1cc(O)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC001195236179 1368508959 /nfs/dbraw/zinc/50/89/59/1368508959.db2.gz MJIGETFCGNXWIK-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cn1 ZINC001195202085 1368509552 /nfs/dbraw/zinc/50/95/52/1368509552.db2.gz MVOWXLXKJBBBJP-UHFFFAOYSA-N -2 0 342.323 2.421 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N(CC(=O)[O-])[C@H](C)CC)n1 ZINC000909311935 786173524 /nfs/dbraw/zinc/17/35/24/786173524.db2.gz KLJORRLNJHSMSF-GFCCVEGCSA-N -2 0 345.399 2.466 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)n1 ZINC000909804816 786263303 /nfs/dbraw/zinc/26/33/03/786263303.db2.gz JWSYGYKZDNAMDN-WCQYABFASA-N -2 0 343.383 2.076 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000910185681 786517362 /nfs/dbraw/zinc/51/73/62/786517362.db2.gz JNHPCRVHVQJEIR-KOLCDFICSA-N -2 0 345.273 2.095 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCc2ccc(Cl)cc2)C1 ZINC000910189877 786522278 /nfs/dbraw/zinc/52/22/78/786522278.db2.gz VPDFRCAWZQHBCZ-YPMHNXCESA-N -2 0 339.775 2.049 20 0 EEADRL C/C(=C\C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1cccc(F)c1 ZINC000910190288 786522849 /nfs/dbraw/zinc/52/28/49/786522849.db2.gz VZMNBWIQFCIRTO-IBAJTVCLSA-N -2 0 335.331 2.005 20 0 EEADRL O=C(Nc1cc(O)cc(Cl)c1)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148926865 792814010 /nfs/dbraw/zinc/81/40/10/792814010.db2.gz YYHCVZOLTXHXRM-UHFFFAOYSA-N -2 0 343.744 2.250 20 0 EEADRL O=C(Nc1ccc2oncc2c1)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148926147 792815295 /nfs/dbraw/zinc/81/52/95/792815295.db2.gz GNKZFQSLVZDRFS-UHFFFAOYSA-N -2 0 334.309 2.032 20 0 EEADRL O=C([O-])CNC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001175161983 798019448 /nfs/dbraw/zinc/01/94/48/798019448.db2.gz PTAKFIRAKRVVHK-UHFFFAOYSA-N -2 0 332.287 2.082 20 0 EEADRL Cc1cc(C)n2nc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)cc2n1 ZINC001176239239 798390770 /nfs/dbraw/zinc/39/07/70/798390770.db2.gz OZXBVAAYKWFXFV-UHFFFAOYSA-N -2 0 326.312 2.486 20 0 EEADRL COC(=O)c1ccc(O)c(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176241286 798391556 /nfs/dbraw/zinc/39/15/56/798391556.db2.gz DUGNAHGJEATXIH-UHFFFAOYSA-N -2 0 331.280 2.319 20 0 EEADRL O=C([O-])c1cc(Nc2ccc3c(c2)NC(=O)CO3)cc(C(=O)[O-])c1 ZINC001176241777 798392359 /nfs/dbraw/zinc/39/23/59/798392359.db2.gz WTJLPDXTJVSCFT-UHFFFAOYSA-N -2 0 328.280 2.158 20 0 EEADRL COc1nccc(C)c1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184659619 802121652 /nfs/dbraw/zinc/12/16/52/802121652.db2.gz LEOOCHUSBKQPSW-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL COc1nc(C)ccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184664702 802124612 /nfs/dbraw/zinc/12/46/12/802124612.db2.gz RRAFJLOJZVJLTL-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL O=C([O-])c1ccccc1OCCn1[n-]c(=O)c(Cl)c(Cl)c1=O ZINC001595260341 949654618 /nfs/dbraw/zinc/65/46/18/949654618.db2.gz OMSCKVPVNCJHSK-UHFFFAOYSA-N -2 0 345.138 2.033 20 0 EEADRL COC(=O)c1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1C ZINC000007057357 956878802 /nfs/dbraw/zinc/87/88/02/956878802.db2.gz YZMFXFXHPCHQDG-UHFFFAOYSA-N -2 0 349.364 2.281 20 0 EEADRL Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cn1 ZINC001594383127 958650714 /nfs/dbraw/zinc/65/07/14/958650714.db2.gz PCTHUOPNAXSDFD-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260399947 960722863 /nfs/dbraw/zinc/72/28/63/960722863.db2.gz JBCMZDLFCGZDHZ-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC000863955409 969311504 /nfs/dbraw/zinc/31/15/04/969311504.db2.gz LFSYCKJYEBCSAV-BLLLJJGKSA-N -2 0 337.397 2.005 20 0 EEADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]c1cccc2ncccc12 ZINC000317570316 970370099 /nfs/dbraw/zinc/37/00/99/970370099.db2.gz ONHRVKOZGGZMNP-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL CCc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)s1 ZINC000318635488 970455996 /nfs/dbraw/zinc/45/59/96/970455996.db2.gz ZCCCCZXFXPQGSZ-UHFFFAOYSA-N -2 0 345.377 2.047 20 0 EEADRL CCN(C(=O)c1cc(Br)cc(F)c1[O-])[C@@H](C)C(=O)[O-] ZINC001603715838 974139546 /nfs/dbraw/zinc/13/95/46/974139546.db2.gz UILSWYBLKXBBIG-LURJTMIESA-N -2 0 334.141 2.229 20 0 EEADRL C[C@@H](CN(C)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C(=O)[O-] ZINC001592575325 978477943 /nfs/dbraw/zinc/47/79/43/978477943.db2.gz XYMYIELCHAWTQM-ZETCQYMHSA-N -2 0 346.286 2.171 20 0 EEADRL CC[C@H](CC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1)C(C)C ZINC001595029816 979161455 /nfs/dbraw/zinc/16/14/55/979161455.db2.gz GUIKGUXQXXIRQI-GWUZIGMUSA-N -2 0 325.405 2.083 20 0 EEADRL CC(C)[C@H](CNC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1)C(=O)[O-] ZINC001592866989 979713125 /nfs/dbraw/zinc/71/31/25/979713125.db2.gz NIGHKAVQZGLFSD-RISCZKNCSA-N -2 0 336.388 2.428 20 0 EEADRL CCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001595593861 981558943 /nfs/dbraw/zinc/55/89/43/981558943.db2.gz IGFYJNBXASCLBG-LBPRGKRZSA-N -2 0 338.385 2.063 20 0 EEADRL CCCCC[C@@H](NC(=O)c1ncc(Br)cc1[O-])C(=O)[O-] ZINC001595681342 982162299 /nfs/dbraw/zinc/16/22/99/982162299.db2.gz QOQTZNFEMBPDDG-SECBINFHSA-N -2 0 345.193 2.313 20 0 EEADRL CCOc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnccc1C ZINC001597075908 986605317 /nfs/dbraw/zinc/60/53/17/986605317.db2.gz CMMNGIURRLCIFG-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(F)(F)F ZINC001589719405 987879165 /nfs/dbraw/zinc/87/91/65/987879165.db2.gz GBMPFQDDMJPORE-SECBINFHSA-N -2 0 329.296 2.233 20 0 EEADRL CCc1ccc(NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])c(C(=O)[O-])c1 ZINC001597542606 988232027 /nfs/dbraw/zinc/23/20/27/988232027.db2.gz DXGZWUQDTYAXLO-IUCAKERBSA-N -2 0 325.386 2.481 20 0 EEADRL CCc1nc([N-]S(=O)(=O)c2cc(F)cc(F)c2)sc1C(=O)[O-] ZINC001597685142 988827922 /nfs/dbraw/zinc/82/79/22/988827922.db2.gz CFQGHMLKISNPPY-UHFFFAOYSA-N -2 0 348.352 2.483 20 0 EEADRL CCn1nc(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC001597945123 989928322 /nfs/dbraw/zinc/92/83/22/989928322.db2.gz VMGJUJPWGSOQQB-UHFFFAOYSA-N -2 0 337.401 2.327 20 0 EEADRL CC(C)(CCNS(=O)(=O)c1csc(C(=O)[O-])c1)CCC(=O)[O-] ZINC001590689869 990406747 /nfs/dbraw/zinc/40/67/47/990406747.db2.gz YMVZSXAKRMWRHJ-UHFFFAOYSA-N -2 0 349.430 2.006 20 0 EEADRL CC(C)C[C@H](CNC(=O)Nc1cc(C(=O)[O-])ccc1F)C(=O)[O-] ZINC001591150954 991895712 /nfs/dbraw/zinc/89/57/12/991895712.db2.gz XIXYXCAPFMUHNG-SNVBAGLBSA-N -2 0 326.324 2.392 20 0 EEADRL O=C([O-])[C@H](C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)C1CCCC1 ZINC001549304333 1121197274 /nfs/dbraw/zinc/19/72/74/1121197274.db2.gz RNXMZYPCSMKIAF-OAGGEKHMSA-N -2 0 345.395 2.204 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc1C(=O)[O-] ZINC000348882243 539858575 /nfs/dbraw/zinc/85/85/75/539858575.db2.gz AHWYONQSVSBNAJ-UHFFFAOYSA-N -2 0 333.369 2.488 20 0 EEADRL Cc1cc(C(=O)Nc2cccc3[nH]ccc32)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000172603329 152099588 /nfs/dbraw/zinc/09/95/88/152099588.db2.gz KEWBVXZTCVFLKT-UHFFFAOYSA-N -2 0 335.323 2.066 20 0 EEADRL COc1cc(O)cc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000355826034 153156500 /nfs/dbraw/zinc/15/65/00/153156500.db2.gz GXYIOAQUIBJCOX-UHFFFAOYSA-N -2 0 343.382 2.270 20 0 EEADRL Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000184911434 160020845 /nfs/dbraw/zinc/02/08/45/160020845.db2.gz JNKPSMAERYBZEU-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc2n[nH]cc21 ZINC000346487588 161376481 /nfs/dbraw/zinc/37/64/81/161376481.db2.gz QXXGKHYNUYWBJP-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL COc1ccc2c(c1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1)CCC2 ZINC000359642031 164143813 /nfs/dbraw/zinc/14/38/13/164143813.db2.gz NQAWVFDECDJWQR-UHFFFAOYSA-N -2 0 336.369 2.011 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cccc3c2OCO3)cc1C(=O)[O-] ZINC000359837600 164181781 /nfs/dbraw/zinc/18/17/81/164181781.db2.gz UQNNGNVHHBOSMK-UHFFFAOYSA-N -2 0 335.337 2.223 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C)c1 ZINC000360187074 164254113 /nfs/dbraw/zinc/25/41/13/164254113.db2.gz DXKRDVQOUYGAKH-UHFFFAOYSA-N -3 0 339.325 2.094 20 0 EEADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000274925488 269076373 /nfs/dbraw/zinc/07/63/73/269076373.db2.gz BOHMKPZQGNFTOB-LBPRGKRZSA-N -2 0 343.401 2.093 20 0 EEADRL O=C([O-])[C@]12CCC[C@H]1CN(C(=O)c1cc(F)c(F)c([O-])c1F)C2 ZINC000296695537 294043117 /nfs/dbraw/zinc/04/31/17/294043117.db2.gz BCYHRYKULOVYFQ-ZIDLFYJRSA-N -2 0 329.274 2.136 20 0 EEADRL COc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000435717193 314919651 /nfs/dbraw/zinc/91/96/51/314919651.db2.gz ZROWNAQVPARNBS-UHFFFAOYSA-N -2 0 325.342 2.404 20 0 EEADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C1(C(=O)[O-])CCCC1 ZINC000518379457 316723264 /nfs/dbraw/zinc/72/32/64/316723264.db2.gz JFTVAOAIBBZILW-UHFFFAOYSA-N -2 0 335.385 2.000 20 0 EEADRL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(=O)[O-] ZINC000583634175 324702820 /nfs/dbraw/zinc/70/28/20/324702820.db2.gz MMGBVRAQMBZZOA-JTQLQIEISA-N -2 0 343.298 2.021 20 0 EEADRL CCOc1ncccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000070156623 463373758 /nfs/dbraw/zinc/37/37/58/463373758.db2.gz DVXUWBXZMMCUGJ-UHFFFAOYSA-N -2 0 328.371 2.041 20 0 EEADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000170968715 463752869 /nfs/dbraw/zinc/75/28/69/463752869.db2.gz ZMCBVISIGWGJTJ-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c(F)c1 ZINC000358847926 465357069 /nfs/dbraw/zinc/35/70/69/465357069.db2.gz AFNGCWDFMICAKR-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL O=C(c1cc(F)cc(Cl)c1[O-])N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000332261925 466475372 /nfs/dbraw/zinc/47/53/72/466475372.db2.gz FDTONTKJVZDKFZ-ZETCQYMHSA-N -2 0 341.726 2.293 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)c(O)c1 ZINC000315618470 466562926 /nfs/dbraw/zinc/56/29/26/466562926.db2.gz SBBUJUIBHSKYOC-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000350730185 466591023 /nfs/dbraw/zinc/59/10/23/466591023.db2.gz QIBRXMVMHLBYED-UHFFFAOYSA-N -2 0 349.290 2.294 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2F)cc1 ZINC000427287829 467148902 /nfs/dbraw/zinc/14/89/02/467148902.db2.gz HZOBOXUJELXEAN-UHFFFAOYSA-N -2 0 339.300 2.023 20 0 EEADRL CCn1nccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000471923712 467981367 /nfs/dbraw/zinc/98/13/67/467981367.db2.gz QMYYANOSKHHNCN-UHFFFAOYSA-N -2 0 337.401 2.066 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2c(C(=O)[O-])cccc2C(C)C)n1C ZINC000629287566 469490251 /nfs/dbraw/zinc/49/02/51/469490251.db2.gz PZVCDKLYNSJVQD-UHFFFAOYSA-N -2 0 337.401 2.351 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)cnc1Cl ZINC000738252055 578006205 /nfs/dbraw/zinc/00/62/05/578006205.db2.gz RQITULIXSSLXER-UHFFFAOYSA-N -2 0 342.760 2.248 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2cccc(F)c2F)sc1C(=O)[O-] ZINC000738363546 578010845 /nfs/dbraw/zinc/01/08/45/578010845.db2.gz KSGHJJHRPJBNHE-UHFFFAOYSA-N -2 0 334.325 2.229 20 0 EEADRL O=C([O-])Nc1cccc(C(=O)[N-]S(=O)(=O)CC2CCCCC2)c1 ZINC000740033276 578078132 /nfs/dbraw/zinc/07/81/32/578078132.db2.gz JPSBVWNVKFHXSL-UHFFFAOYSA-N -2 0 340.401 2.416 20 0 EEADRL O=C([O-])Nc1cccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2)c1 ZINC000740033269 578078153 /nfs/dbraw/zinc/07/81/53/578078153.db2.gz JJBIMGRXIFOGPC-UHFFFAOYSA-N -2 0 334.353 2.036 20 0 EEADRL C[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000736563703 578211461 /nfs/dbraw/zinc/21/14/61/578211461.db2.gz TUYXAGQUEFEGMR-LLVKDONJSA-N -2 0 339.413 2.406 20 0 EEADRL O=C([O-])C[C@@H]1CCCN(C(=O)c2cccc(Br)c2[O-])C1 ZINC000819370634 597115758 /nfs/dbraw/zinc/11/57/58/597115758.db2.gz COGLBRXHGHYJPZ-VIFPVBQESA-N -2 0 342.189 2.482 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cn2)c1C(=O)[O-] ZINC000037300505 600101678 /nfs/dbraw/zinc/10/16/78/600101678.db2.gz WKXDJIXPRSSESU-UHFFFAOYSA-N -2 0 330.749 2.444 20 0 EEADRL CCCn1cc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cn1 ZINC000829585326 601333722 /nfs/dbraw/zinc/33/37/22/601333722.db2.gz OPAPXBVPJZARRR-VMPITWQZSA-N -2 0 335.385 2.192 20 0 EEADRL CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)n1 ZINC000830104782 601362444 /nfs/dbraw/zinc/36/24/44/601362444.db2.gz SDVSAVFTHDOAFU-UHFFFAOYSA-N -2 0 328.371 2.041 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)o1 ZINC000833323682 601388716 /nfs/dbraw/zinc/38/87/16/601388716.db2.gz ZFQUXTZAFIFBIY-UHFFFAOYSA-N -2 0 335.337 2.298 20 0 EEADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)c1 ZINC000832362922 601783295 /nfs/dbraw/zinc/78/32/95/601783295.db2.gz SUNDSNCTKZMCJZ-UHFFFAOYSA-N -2 0 344.776 2.186 20 0 EEADRL CC(C)n1cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cn1 ZINC000827186594 601861006 /nfs/dbraw/zinc/86/10/06/601861006.db2.gz VKDINPCNFGRSIE-UHFFFAOYSA-N -2 0 327.337 2.102 20 0 EEADRL CCCCc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)n[nH]1 ZINC000829431066 602103025 /nfs/dbraw/zinc/10/30/25/602103025.db2.gz TWVFAGIWSRJYJA-UHFFFAOYSA-N -2 0 329.403 2.313 20 0 EEADRL CC1(C)CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000833557051 605085100 /nfs/dbraw/zinc/08/51/00/605085100.db2.gz KSLOIWROLCEPLQ-MRVPVSSYSA-N -2 0 331.415 2.078 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(C(C)(C)C)c2)c(C(=O)[O-])c1 ZINC000833750910 605186164 /nfs/dbraw/zinc/18/61/64/605186164.db2.gz HGPDIOYBLASYLM-UHFFFAOYSA-N -2 0 337.401 2.446 20 0 EEADRL CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)c1 ZINC000833513530 605186921 /nfs/dbraw/zinc/18/69/21/605186921.db2.gz NLBQWSMPIQUCQQ-UHFFFAOYSA-N -2 0 338.389 2.032 20 0 EEADRL C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000833599874 605187941 /nfs/dbraw/zinc/18/79/41/605187941.db2.gz AFKHFDRCWBQRIZ-IUCAKERBSA-N -2 0 345.804 2.279 20 0 EEADRL C[C@@H]1CC(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C[C@@H](C)C1 ZINC000833594763 605678172 /nfs/dbraw/zinc/67/81/72/605678172.db2.gz PTHJOPKUGJXBKD-IUCAKERBSA-N -2 0 345.442 2.324 20 0 EEADRL CC(C)(C)C[C@H]([N-]S(=O)(=O)C1(C(=O)[O-])CCC1)C(F)(F)F ZINC000905039706 694507034 /nfs/dbraw/zinc/50/70/34/694507034.db2.gz ZEKOCZFVUFHPMO-QMMMGPOBSA-N -2 0 331.356 2.280 20 0 EEADRL O=C(NC1(c2nnn[n-]2)CCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC001413509075 1240047598 /nfs/dbraw/zinc/04/75/98/1240047598.db2.gz VZWPWHXYCDGFPA-UHFFFAOYSA-N -2 0 328.159 2.021 20 0 EEADRL CCOC(=O)c1cnc(NC(=O)c2cc(Cl)nc(Cl)c2[O-])[n-]1 ZINC001193084345 1282304091 /nfs/dbraw/zinc/30/40/91/1282304091.db2.gz WWJGCUXPXMHSLM-UHFFFAOYSA-N -2 0 345.142 2.246 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncccc2O)c(Cl)cc1F ZINC001193972619 1282799155 /nfs/dbraw/zinc/79/91/55/1282799155.db2.gz GMZJYJAQHFGVME-UHFFFAOYSA-N -2 0 346.723 2.079 20 0 EEADRL C[C@@H](Oc1nc(I)cc(=O)[n-]1)C1=CC=C[CH]1 ZINC001228945640 1302537910 /nfs/dbraw/zinc/53/79/10/1302537910.db2.gz BZBBKSLDHRUALD-SSDOTTSWSA-N -2 0 329.117 2.255 20 0 EEADRL Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC001237602480 1305997572 /nfs/dbraw/zinc/99/75/72/1305997572.db2.gz AFBWWVLKZIOWBM-UHFFFAOYSA-N -2 0 328.296 2.046 20 0 EEADRL CCOC(=O)c1cc(F)cnc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242159645 1309622754 /nfs/dbraw/zinc/62/27/54/1309622754.db2.gz OZPSNEBGJUXWLA-UHFFFAOYSA-N -2 0 333.271 2.461 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccccc2N2C(=O)C=CC2=O)c1 ZINC001242163424 1309623893 /nfs/dbraw/zinc/62/38/93/1309623893.db2.gz VYAPNJRUHMQMMP-UHFFFAOYSA-N -2 0 337.287 2.179 20 0 EEADRL Cn1cc2c(cccc2[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n1 ZINC001260189714 1319820930 /nfs/dbraw/zinc/82/09/30/1319820930.db2.gz ZCGMRNMBHPFUGE-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL Cc1nc2ccccn2c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260209510 1319832833 /nfs/dbraw/zinc/83/28/33/1319832833.db2.gz ISTCTWATDHLGGB-UHFFFAOYSA-N -2 0 349.343 2.281 20 0 EEADRL Cc1cc(O)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC001260216005 1319833877 /nfs/dbraw/zinc/83/38/77/1319833877.db2.gz MCOXFBXSKRGJJI-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000390686827 1322819235 /nfs/dbraw/zinc/81/92/35/1322819235.db2.gz YMZVWHDWFAYCEN-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)CC2CCCCC2)oc1C(=O)[O-] ZINC001600297104 1350013782 /nfs/dbraw/zinc/01/37/82/1350013782.db2.gz KBCGABICMXFLLA-UHFFFAOYSA-N -2 0 329.374 2.062 20 0 EEADRL CCCC[C@@H](CC)C(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001605236061 1351112367 /nfs/dbraw/zinc/11/23/67/1351112367.db2.gz BFGZLMZYBFHDHL-GWUZIGMUSA-N -2 0 325.405 2.227 20 0 EEADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(C)cc1O ZINC001607145870 1351437234 /nfs/dbraw/zinc/43/72/34/1351437234.db2.gz ZXKPHJQGNRWXLK-UHFFFAOYSA-N -2 0 343.382 2.270 20 0 EEADRL O=C([O-])c1cnc(S(=O)(=O)Cc2ccc(Cl)cc2Cl)[n-]1 ZINC001608830946 1351773940 /nfs/dbraw/zinc/77/39/40/1351773940.db2.gz HLTSXHKTFHHVKE-UHFFFAOYSA-N -2 0 335.168 2.389 20 0 EEADRL O=C([O-])c1cc(Cl)cc(NC(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC001608845832 1351777588 /nfs/dbraw/zinc/77/75/88/1351777588.db2.gz UQPMMSQEELFWOU-UHFFFAOYSA-N -2 0 326.736 2.367 20 0 EEADRL O=C([O-])c1ccc2[nH]c(CNC(=O)c3ccc(F)cc3[O-])nc2c1 ZINC001608917524 1351793839 /nfs/dbraw/zinc/79/38/39/1351793839.db2.gz SGUSNWQKPRFGKZ-UHFFFAOYSA-N -2 0 329.287 2.036 20 0 EEADRL O=C(Nc1cc(Cl)c([O-])cc1F)c1ccc(-c2nn[nH]n2)c([O-])c1 ZINC001609561863 1352016344 /nfs/dbraw/zinc/01/63/44/1352016344.db2.gz YNQHQXOTNTUWQY-UHFFFAOYSA-N -2 0 349.709 2.323 20 0 EEADRL CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2[nH]nc(C)c2[O-])cc1 ZINC001610384868 1352214130 /nfs/dbraw/zinc/21/41/30/1352214130.db2.gz QVDOQSXACJZWKD-NSHDSACASA-N -2 0 335.385 2.091 20 0 EEADRL Cc1[nH]c(C([O-])=CS(=O)(=O)Cc2ccccc2)c(C)c1C(=O)[O-] ZINC001610401090 1352216920 /nfs/dbraw/zinc/21/69/20/1352216920.db2.gz ZXNHMNNQDSGYRV-UHFFFAOYSA-N -2 0 335.381 2.127 20 0 EEADRL Cc1cccc(NS(=O)(=O)CC2(C(=O)[O-])CCCC2)c1C(=O)[O-] ZINC001610523768 1352238338 /nfs/dbraw/zinc/23/83/38/1352238338.db2.gz BEDJONNSJGMESS-UHFFFAOYSA-N -2 0 341.385 2.080 20 0 EEADRL Cc1n[nH]c(C(=O)N[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])c1[O-] ZINC001610548275 1352243066 /nfs/dbraw/zinc/24/30/66/1352243066.db2.gz OQURFPVAQOZROR-JSGCOSHPSA-N -2 0 343.383 2.117 20 0 EEADRL O=C([O-])CCSc1cccc(NC(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC001610776413 1352272661 /nfs/dbraw/zinc/27/26/61/1352272661.db2.gz AENLLUYCAHOLRP-JTQLQIEISA-N -2 0 338.385 2.192 20 0 EEADRL O=C([O-])c1cc(-c2csc([N-]c3ncnc4nccnc34)n2)c[nH]1 ZINC001610808357 1352278197 /nfs/dbraw/zinc/27/81/97/1352278197.db2.gz YFXREGHCUOXTHR-UHFFFAOYSA-N -2 0 339.340 2.313 20 0 EEADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]c2nnc(C(F)F)s2)c1 ZINC001610847266 1352284829 /nfs/dbraw/zinc/28/48/29/1352284829.db2.gz IQHPVHVHIJLRGI-UHFFFAOYSA-N -2 0 349.340 2.116 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)o1 ZINC001610840096 1352283206 /nfs/dbraw/zinc/28/32/06/1352283206.db2.gz QOQWDEWJNITSEV-UHFFFAOYSA-N -2 0 334.309 2.434 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3c2OCCO3)s1 ZINC001610839840 1352283335 /nfs/dbraw/zinc/28/33/35/1352283335.db2.gz FKEWGWPVLHOCLZ-UHFFFAOYSA-N -2 0 341.366 2.018 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)n[nH]c1C(C)C ZINC001600009334 1349954476 /nfs/dbraw/zinc/95/44/76/1349954476.db2.gz WBANNEDCCSUARE-UHFFFAOYSA-N -2 0 341.364 2.480 20 0 EEADRL Cc1c(NC(=O)c2ccc3oc(=O)nc-3[n-]2)ccc(F)c1C(=O)[O-] ZINC001600046266 1349961521 /nfs/dbraw/zinc/96/15/21/1349961521.db2.gz JQWXQFWTJAUYNR-UHFFFAOYSA-N -2 0 331.259 2.326 20 0 EEADRL Cc1csc(NC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)c1C(=O)[O-] ZINC001600664278 1350112874 /nfs/dbraw/zinc/11/28/74/1350112874.db2.gz WNIGAIYBZXIQNS-IONNQARKSA-N -2 0 326.374 2.329 20 0 EEADRL Cc1nc(CNCc2cc(C(=O)[O-])c3n2CCCC3)sc1C(=O)[O-] ZINC001600701820 1350118553 /nfs/dbraw/zinc/11/85/53/1350118553.db2.gz QBOJLLBPAUUUGS-UHFFFAOYSA-N -2 0 349.412 2.276 20 0 EEADRL O=C([O-])[C@@H]1CCN(C(=O)c2s[n-]c(=O)c2Cl)[C@H]2CCC[C@@H]21 ZINC001601827256 1350374378 /nfs/dbraw/zinc/37/43/78/1350374378.db2.gz VGQPAGCKUJDBLF-PRJMDXOYSA-N -2 0 330.793 2.218 20 0 EEADRL O=C([O-])CCCCCNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001601985272 1350411152 /nfs/dbraw/zinc/41/11/52/1350411152.db2.gz ONPFOBBURWMWPX-UHFFFAOYSA-N -2 0 330.287 2.430 20 0 EEADRL O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC001602170945 1350457070 /nfs/dbraw/zinc/45/70/70/1350457070.db2.gz FTNQPUXDBXBWIL-QMMMGPOBSA-N -2 0 328.296 2.051 20 0 EEADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1nccc2sccc21 ZINC001602588150 1350552303 /nfs/dbraw/zinc/55/23/03/1350552303.db2.gz OYGQPKKWZISZMY-UHFFFAOYSA-N -2 0 341.395 2.252 20 0 EEADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1cccc2ccsc21)C(=O)[O-] ZINC001603660345 1350737013 /nfs/dbraw/zinc/73/70/13/1350737013.db2.gz PGYAZUHNIOGKAG-UHFFFAOYSA-N -2 0 341.410 2.072 20 0 EEADRL C[C@@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001604051524 1350839788 /nfs/dbraw/zinc/83/97/88/1350839788.db2.gz WWFMCKANXKTSKN-NSHDSACASA-N -2 0 349.412 2.282 20 0 EEADRL C[C@@H](CCC[C@H](C)C(=O)[O-])NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC001604132970 1350868381 /nfs/dbraw/zinc/86/83/81/1350868381.db2.gz WFJZJLJRAUWMAI-IUCAKERBSA-N -2 0 349.430 2.004 20 0 EEADRL COC(=O)c1cc(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)cc(C(=O)[O-])c1 ZINC001606549613 1351320954 /nfs/dbraw/zinc/32/09/54/1351320954.db2.gz MFZCNIUDAXUZPQ-ZDUSSCGKSA-N -2 0 349.339 2.001 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)oc1C(=O)[O-] ZINC001607705082 1351543436 /nfs/dbraw/zinc/54/34/36/1351543436.db2.gz DNAJDIRRLHHHKK-ATZCPNFKSA-N -2 0 343.401 2.163 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2nnc(C(C)(C)C)o2)c1C(=O)[O-] ZINC001608042880 1351612369 /nfs/dbraw/zinc/61/23/69/1351612369.db2.gz DAXCATAOZUQEEM-UHFFFAOYSA-N -2 0 343.361 2.076 20 0 EEADRL O=C([O-])c1ccc(CNC(=O)c2ccc(F)cc2[O-])nc1C1CC1 ZINC001608465193 1351700329 /nfs/dbraw/zinc/70/03/29/1351700329.db2.gz TZUQISSHRYHAIZ-UHFFFAOYSA-N -2 0 330.315 2.432 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001211629126 761276269 /nfs/dbraw/zinc/27/62/69/761276269.db2.gz ZCGVWNILQPYTKO-UHFFFAOYSA-N -2 0 328.324 2.251 20 0 EEADRL Cc1cnc(NCCOP(=O)([O-])[O-])nc1-c1c(F)cccc1F ZINC001168589338 790632481 /nfs/dbraw/zinc/63/24/81/790632481.db2.gz HGTUIKRCVLRRDL-UHFFFAOYSA-N -2 0 345.242 2.251 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)c1F ZINC000906986839 784302505 /nfs/dbraw/zinc/30/25/05/784302505.db2.gz LRFKLZHARUFZMH-JTQLQIEISA-N -2 0 341.282 2.143 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)CC(C2CCC2)C2CCC2)C1 ZINC000910180985 786513739 /nfs/dbraw/zinc/51/37/39/786513739.db2.gz BBZVTHHOYVLJDI-HIFRSBDPSA-N -2 0 337.416 2.369 20 0 EEADRL CC(C)Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1 ZINC000910186240 786518514 /nfs/dbraw/zinc/51/85/14/786518514.db2.gz OVXOXEWYPSGPKM-GJZGRUSLSA-N -2 0 333.384 2.275 20 0 EEADRL CCCc1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])sc1C ZINC000910186848 786519647 /nfs/dbraw/zinc/51/96/47/786519647.db2.gz VPHXMKFQFZFSSD-NWDGAFQWSA-N -2 0 339.413 2.399 20 0 EEADRL Cc1ccccc1[C@H](C)CC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910190314 786522726 /nfs/dbraw/zinc/52/27/26/786522726.db2.gz WETQMUSPJPPENR-NFAWXSAZSA-N -2 0 333.384 2.265 20 0 EEADRL C[C@H](CCCc1ccccc1)C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910190725 786523094 /nfs/dbraw/zinc/52/30/94/786523094.db2.gz BWKHJVWTZLMCQK-FVQBIDKESA-N -2 0 347.411 2.422 20 0 EEADRL Cn1ccc2cc(NC(=O)c3cc(S(=O)(=O)[O-])ccc3[O-])ccc21 ZINC001148926271 792815059 /nfs/dbraw/zinc/81/50/59/792815059.db2.gz LFYRKWWZDLOXHF-UHFFFAOYSA-N -2 0 346.364 2.383 20 0 EEADRL O=C([O-])c1cncc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)c1 ZINC001175843084 798245567 /nfs/dbraw/zinc/24/55/67/798245567.db2.gz JWRUYMMMVVPBMW-UHFFFAOYSA-N -2 0 328.733 2.424 20 0 EEADRL CCc1nc2ccc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)cn2n1 ZINC001176239376 798390522 /nfs/dbraw/zinc/39/05/22/798390522.db2.gz VSSQENVMFGKPMB-UHFFFAOYSA-N -2 0 326.312 2.432 20 0 EEADRL COCCN(c1cc(C(=O)[O-])cc(C(=O)[O-])c1)c1ccccc1N ZINC001176245083 798393194 /nfs/dbraw/zinc/39/31/94/798393194.db2.gz SUBFBHBFBRIXEV-UHFFFAOYSA-N -2 0 330.340 2.450 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cnn3cccc(F)c23)cc1C(=O)[O-] ZINC001184669732 802104423 /nfs/dbraw/zinc/10/44/23/802104423.db2.gz GXRMFFWTMSKRTO-UHFFFAOYSA-N -2 0 349.343 2.281 20 0 EEADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1Cl)C1CCCC1 ZINC000863953719 939243956 /nfs/dbraw/zinc/24/39/56/939243956.db2.gz WIRWCGXILSFORD-LBPRGKRZSA-N -2 0 345.804 2.036 20 0 EEADRL N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000321867381 970818356 /nfs/dbraw/zinc/81/83/56/970818356.db2.gz GWHLXEKWRWKYJV-UHFFFAOYSA-N -2 0 338.291 2.335 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)n1 ZINC001593641787 953648566 /nfs/dbraw/zinc/64/85/66/953648566.db2.gz IUNMEFLRLMLMSW-NHYWBVRUSA-N -2 0 345.399 2.369 20 0 EEADRL CCc1cccc(S(=O)(=O)[N-]c2ccn(C(C)(C)C(=O)[O-])n2)c1 ZINC001593641907 953650610 /nfs/dbraw/zinc/65/06/10/953650610.db2.gz RUGQZKVARDCZDO-UHFFFAOYSA-N -2 0 337.401 2.066 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC001552982150 1125465788 /nfs/dbraw/zinc/46/57/88/1125465788.db2.gz FEFYIAFYAZBKRI-ZJIFWQFVSA-N -2 0 345.395 2.347 20 0 EEADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)C(F)(F)F ZINC000389217369 972212567 /nfs/dbraw/zinc/21/25/67/972212567.db2.gz LDYPDYNOHSSQKN-ZCFIWIBFSA-N -2 0 329.271 2.061 20 0 EEADRL COc1cccc(C)c1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260398683 960721704 /nfs/dbraw/zinc/72/17/04/960721704.db2.gz TXTBDJSXZABKMV-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL O=C([O-])CN(CC1CC1)C(=O)c1cc(Br)c(F)cc1[O-] ZINC001595069835 970291674 /nfs/dbraw/zinc/29/16/74/970291674.db2.gz HIOSIDNQKBBYLU-UHFFFAOYSA-N -2 0 346.152 2.231 20 0 EEADRL C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1cc(Br)cc(F)c1[O-] ZINC001605005083 972609751 /nfs/dbraw/zinc/60/97/51/972609751.db2.gz SRSFRCSHEMBLLQ-LHLIQPBNSA-N -2 0 346.152 2.372 20 0 EEADRL CC(C)n1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)n1 ZINC001592142899 976992527 /nfs/dbraw/zinc/99/25/27/976992527.db2.gz TWRIJHHCRHSPFB-UHFFFAOYSA-N -2 0 345.327 2.241 20 0 EEADRL CCC(CC)CS(=O)(=O)[N-]C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC000863954557 979677066 /nfs/dbraw/zinc/67/70/66/979677066.db2.gz FFXNGDZSRJZOIZ-UHFFFAOYSA-N -2 0 327.402 2.189 20 0 EEADRL CCC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001594808259 981915508 /nfs/dbraw/zinc/91/55/08/981915508.db2.gz KDVHRIJXBGDFJU-UHFFFAOYSA-N -2 0 345.392 2.084 20 0 EEADRL CC[C@@](C)(CC(=O)[O-])NC(=O)c1nn(-c2cc(C)ccc2F)cc1[O-] ZINC001594823423 981976030 /nfs/dbraw/zinc/97/60/30/981976030.db2.gz BKRLNWMFYFFQHI-KRWDZBQOSA-N -2 0 349.362 2.399 20 0 EEADRL CC[C@@](C)([N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)C(F)(F)F ZINC001594852980 982103715 /nfs/dbraw/zinc/10/37/15/982103715.db2.gz BISGCBVJAWJIED-SNVBAGLBSA-N -2 0 329.296 2.296 20 0 EEADRL CCCc1cc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])sc1C ZINC001596055621 983358927 /nfs/dbraw/zinc/35/89/27/983358927.db2.gz UCTPFCFOICXFCO-WCBMZHEXSA-N -2 0 347.458 2.178 20 0 EEADRL CCN(C(=O)c1nn(-c2ccccc2F)cc1[O-])C(C)(C)C(=O)[O-] ZINC001596174570 983540509 /nfs/dbraw/zinc/54/05/09/983540509.db2.gz GAJFWWABFDVQIK-UHFFFAOYSA-N -2 0 335.335 2.042 20 0 EEADRL C[C@H](C(=O)Nc1cccc2ccccc21)N(CCC(=O)[O-])CC(=O)[O-] ZINC001589445913 986816855 /nfs/dbraw/zinc/81/68/55/986816855.db2.gz ZNAKSXTZHTXUIJ-GFCCVEGCSA-N -2 0 344.367 2.028 20 0 EEADRL CCc1[nH]c(C(=O)N2CCCC[C@H]2CCC(=O)[O-])c(C)c1C(=O)[O-] ZINC001597361628 987521677 /nfs/dbraw/zinc/52/16/77/987521677.db2.gz STBBXNDFSWTKMV-NSHDSACASA-N -2 0 336.388 2.443 20 0 EEADRL CC(C)(C)C[C@H](CC(=O)[O-])NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC001589741731 988015921 /nfs/dbraw/zinc/01/59/21/988015921.db2.gz FFRMJTCQXWHYDK-QMMMGPOBSA-N -2 0 349.430 2.004 20 0 EEADRL CCc1ncsc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC001597712483 988976604 /nfs/dbraw/zinc/97/66/04/988976604.db2.gz VZELUNDYVCQDNS-UHFFFAOYSA-N -2 0 330.362 2.344 20 0 EEADRL COc1cccc([C@H](NC(=O)c2s[n-]c(=O)c2Cl)C(=O)[O-])c1 ZINC001599687292 991007156 /nfs/dbraw/zinc/00/71/56/991007156.db2.gz UMBQXMADDKHNRV-VIFPVBQESA-N -2 0 342.760 2.066 20 0 EEADRL CC(C)C[C@H](CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1)C(=O)[O-] ZINC001591150694 991893143 /nfs/dbraw/zinc/89/31/43/991893143.db2.gz KLFHKBWDOOMWKV-SECBINFHSA-N -2 0 326.324 2.392 20 0 EEADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001599582945 993575380 /nfs/dbraw/zinc/57/53/80/993575380.db2.gz KHWBZCCCAYXJOI-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL COc1ccc(-n2[n-]c(C)c(CC(=O)[O-])c2=O)c(Br)c1 ZINC001599586816 993624245 /nfs/dbraw/zinc/62/42/45/993624245.db2.gz XOAMECUDNDZULU-SECBINFHSA-N -2 0 341.161 2.271 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)cc1F ZINC001599598576 993781707 /nfs/dbraw/zinc/78/17/07/993781707.db2.gz CAKVXIVLWFCNGJ-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)cc1Cl ZINC001599598915 993786409 /nfs/dbraw/zinc/78/64/09/993786409.db2.gz ZLQADRSKTBQOOO-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL COCc1ccc(S(=O)(=O)[N-]c2cc(C)c(C(=O)[O-])cn2)cc1 ZINC001599295177 997127858 /nfs/dbraw/zinc/12/78/58/997127858.db2.gz IHUFVQBMEWBQJV-UHFFFAOYSA-N -2 0 336.369 2.035 20 0 EEADRL O=C([O-])CC[C@H]1CCCCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000263162541 304062735 /nfs/dbraw/zinc/06/27/35/304062735.db2.gz OXLKDDMCKJEBSK-CYBMUJFWSA-N -2 0 343.383 2.437 20 0 EEADRL O=C([O-])CNC(=O)c1ccc(Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000071703582 215796952 /nfs/dbraw/zinc/79/69/52/215796952.db2.gz RYOQXKPCYZMPCR-UHFFFAOYSA-N -2 0 332.287 2.082 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)c[nH]1 ZINC000132791325 292405174 /nfs/dbraw/zinc/40/51/74/292405174.db2.gz DROIXRBTKBTIHG-UHFFFAOYSA-N -2 0 333.325 2.169 20 0 EEADRL O=C([O-])Cc1ccccc1NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000238104807 160228244 /nfs/dbraw/zinc/22/82/44/160228244.db2.gz LWRMSCZSSXJANZ-UHFFFAOYSA-N -2 0 337.335 2.457 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1O ZINC000343831587 161172228 /nfs/dbraw/zinc/17/22/28/161172228.db2.gz HOTXDTHTWPRONF-UHFFFAOYSA-N -2 0 331.733 2.446 20 0 EEADRL COc1c(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1F ZINC000360205710 164257360 /nfs/dbraw/zinc/25/73/60/164257360.db2.gz WSVGFODZUHHBHI-UHFFFAOYSA-N -2 0 347.295 2.374 20 0 EEADRL COc1ccc(O)c(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])c1 ZINC000342783019 295166703 /nfs/dbraw/zinc/16/67/03/295166703.db2.gz QBKYHWNMRCNILN-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000318122840 311592807 /nfs/dbraw/zinc/59/28/07/311592807.db2.gz RGXFPKYQTPEYDJ-RISCZKNCSA-N -2 0 333.356 2.277 20 0 EEADRL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000350871745 465030861 /nfs/dbraw/zinc/03/08/61/465030861.db2.gz RSWJDLMNQFAMFX-UHFFFAOYSA-N -2 0 345.327 2.463 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000339072451 465066584 /nfs/dbraw/zinc/06/65/84/465066584.db2.gz RDDAZXFLSZCQLG-UHFFFAOYSA-N -2 0 339.300 2.023 20 0 EEADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c1 ZINC000032596918 463383354 /nfs/dbraw/zinc/38/33/54/463383354.db2.gz DCYDCJSGCMYBJW-UHFFFAOYSA-N -3 0 345.329 2.084 20 0 EEADRL CCOc1ncccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000042793823 463598054 /nfs/dbraw/zinc/59/80/54/463598054.db2.gz SVTCNNQYGKGIJX-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1C(=O)[O-] ZINC000193359073 463707737 /nfs/dbraw/zinc/70/77/37/463707737.db2.gz LHUWNHFFHHAXGA-UHFFFAOYSA-N -2 0 333.369 2.073 20 0 EEADRL CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c1C ZINC000269984086 464148191 /nfs/dbraw/zinc/14/81/91/464148191.db2.gz RWTJRCGPCOQXSJ-UHFFFAOYSA-N -2 0 341.364 2.158 20 0 EEADRL COc1ccsc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000348473836 465623282 /nfs/dbraw/zinc/62/32/82/465623282.db2.gz KPDICSSQVLCKKY-UHFFFAOYSA-N -2 0 331.346 2.395 20 0 EEADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)c1 ZINC000362305533 465644151 /nfs/dbraw/zinc/64/41/51/465644151.db2.gz NHGCBPUAMPJZDK-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL CCc1onc(C)c1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000340124785 465787899 /nfs/dbraw/zinc/78/78/99/465787899.db2.gz PTKIAMJLBJAUEQ-UHFFFAOYSA-N -2 0 328.321 2.184 20 0 EEADRL CCc1ncc(S(=O)(=O)[N-]c2ccc(OC)cc2C(=O)[O-])s1 ZINC000349110239 465974150 /nfs/dbraw/zinc/97/41/50/465974150.db2.gz RZLQJYIDHZOGHU-UHFFFAOYSA-N -2 0 342.398 2.213 20 0 EEADRL Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1ccc2n[nH]nc2c1 ZINC000555602274 468486562 /nfs/dbraw/zinc/48/65/62/468486562.db2.gz MYFSOXTWAYKGFH-UHFFFAOYSA-N -2 0 335.327 2.009 20 0 EEADRL Cc1oncc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000350314595 466457998 /nfs/dbraw/zinc/45/79/98/466457998.db2.gz LZRCMIJZJFYMKW-UHFFFAOYSA-N -2 0 330.749 2.444 20 0 EEADRL Cc1oc(CNS(=O)(=O)c2cc(F)ccc2F)cc1C(=O)[O-] ZINC000314496510 466551605 /nfs/dbraw/zinc/55/16/05/466551605.db2.gz BUPWPXXCXQYCJT-UHFFFAOYSA-N -2 0 331.296 2.043 20 0 EEADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)c1 ZINC000314784564 466555229 /nfs/dbraw/zinc/55/52/29/466555229.db2.gz UIYXCFQKVMSRDT-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL Cc1noc2ncc(S(=O)(=O)[N-]c3ccc(C)c(C(=O)[O-])c3)cc12 ZINC000362126729 466574649 /nfs/dbraw/zinc/57/46/49/466574649.db2.gz VOWWZWQQQOGJGP-UHFFFAOYSA-N -2 0 347.352 2.339 20 0 EEADRL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000318122839 466584621 /nfs/dbraw/zinc/58/46/21/466584621.db2.gz RGXFPKYQTPEYDJ-FZMZJTMJSA-N -2 0 333.356 2.277 20 0 EEADRL COC(=O)C1(CS(=O)(=O)[N-]c2cc(F)cc(F)c2[O-])CCCC1 ZINC000603419119 469389705 /nfs/dbraw/zinc/38/97/05/469389705.db2.gz XSKFYPDWTPMECZ-UHFFFAOYSA-N -2 0 349.355 2.146 20 0 EEADRL O=C([O-])CCC1CCN(S(=O)(=O)c2cccc(Cl)c2[O-])CC1 ZINC000630445923 469854423 /nfs/dbraw/zinc/85/44/23/469854423.db2.gz LYUNJUPMDCUARR-UHFFFAOYSA-N -2 0 347.820 2.311 20 0 EEADRL Cc1c(F)cc(S(=O)(=O)[N-]c2cnn(C(C)C)c2)cc1C(=O)[O-] ZINC000647126586 470835756 /nfs/dbraw/zinc/83/57/56/470835756.db2.gz LJQVTWDKLDGMRY-UHFFFAOYSA-N -2 0 341.364 2.411 20 0 EEADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC000653284532 471567707 /nfs/dbraw/zinc/56/77/07/471567707.db2.gz KRDRRDFPHHFVFJ-MRXNPFEDSA-N -2 0 347.396 2.166 20 0 EEADRL C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000663055535 472342766 /nfs/dbraw/zinc/34/27/66/472342766.db2.gz AJRIGFBWUJFAAW-WDEREUQCSA-N -2 0 347.346 2.042 20 0 EEADRL O=C([O-])c1ccc(NC(=O)c2n[n-]c3ccccc3c2=O)cc1F ZINC000767206156 577532422 /nfs/dbraw/zinc/53/24/22/577532422.db2.gz OJMNYKPKQSLAJO-UHFFFAOYSA-N -2 0 327.271 2.425 20 0 EEADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1C(=O)[O-] ZINC000738829243 578028046 /nfs/dbraw/zinc/02/80/46/578028046.db2.gz NMPBHLJPWRWZPP-UHFFFAOYSA-N -2 0 333.728 2.010 20 0 EEADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc2c[nH]nc2c1 ZINC000740145388 578082747 /nfs/dbraw/zinc/08/27/47/578082747.db2.gz QXMHFHBOVMPIGE-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL N#Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)ccc1Cl ZINC000036983732 599735337 /nfs/dbraw/zinc/73/53/37/599735337.db2.gz QAWHHBXQHHSLTD-UHFFFAOYSA-N -2 0 326.717 2.304 20 0 EEADRL Cn1nccc1S(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)[O-] ZINC000322202079 600095793 /nfs/dbraw/zinc/09/57/93/600095793.db2.gz MAWFUKHHFHVLQF-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC000833335443 600983416 /nfs/dbraw/zinc/98/34/16/600983416.db2.gz XLRUQYYMZVHDDG-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000830109777 601231026 /nfs/dbraw/zinc/23/10/26/601231026.db2.gz MFMWBOKEXVRWAK-UHFFFAOYSA-N -2 0 325.342 2.486 20 0 EEADRL O=C([O-])[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000833183844 601235087 /nfs/dbraw/zinc/23/50/87/601235087.db2.gz KVTKTOHHJLCODQ-ZJUUUORDSA-N -2 0 345.804 2.036 20 0 EEADRL COc1ncc(C)cc1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000832654272 601333889 /nfs/dbraw/zinc/33/38/89/601333889.db2.gz LOZGEIMBAOLMKX-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cnc2ccccc2n1 ZINC000832852619 601848053 /nfs/dbraw/zinc/84/80/53/601848053.db2.gz CUHYVKCQLVUOBR-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL C[C@@]1(C(=O)[O-])CCN(C(=O)c2cccc(Br)c2[O-])C1 ZINC000828016716 602053166 /nfs/dbraw/zinc/05/31/66/602053166.db2.gz RWIFITLEQHHKCG-CYBMUJFWSA-N -2 0 328.162 2.092 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n[nH]c1C1CC1 ZINC000832853682 602103738 /nfs/dbraw/zinc/10/37/38/602103738.db2.gz SXVTWBJVVWLATP-UHFFFAOYSA-N -2 0 339.348 2.234 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)cc1F ZINC000832468784 602115722 /nfs/dbraw/zinc/11/57/22/602115722.db2.gz ORWHQCPKJZSUTP-UHFFFAOYSA-N -2 0 331.346 2.395 20 0 EEADRL CCC(CC)(CC)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000828811037 602254205 /nfs/dbraw/zinc/25/42/05/602254205.db2.gz XWOGDODCAOTZQD-UHFFFAOYSA-N -2 0 327.402 2.406 20 0 EEADRL CCCc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n[nH]1 ZINC000388330234 602305506 /nfs/dbraw/zinc/30/55/06/602305506.db2.gz JWOKNQNOMHWAOU-UHFFFAOYSA-N -2 0 327.337 2.000 20 0 EEADRL CCCC1(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CCC1 ZINC000829231266 602385213 /nfs/dbraw/zinc/38/52/13/602385213.db2.gz VLCWDGHIKHMZCO-UHFFFAOYSA-N -2 0 339.413 2.301 20 0 EEADRL C/C(=C\c1cccc(Cl)c1)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000833387278 604782820 /nfs/dbraw/zinc/78/28/20/604782820.db2.gz WSAYTDOGHFRWCW-CSKARUKUSA-N -2 0 345.804 2.054 20 0 EEADRL O=C([O-])c1ccc(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)cc1F ZINC000833159171 604995347 /nfs/dbraw/zinc/99/53/47/604995347.db2.gz TWXVEAXNEKADNX-UHFFFAOYSA-N -2 0 343.270 2.120 20 0 EEADRL CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)C(C)C ZINC000833648885 605055286 /nfs/dbraw/zinc/05/52/86/605055286.db2.gz ZONNLCNKOVYPNA-CQSZACIVSA-N -2 0 341.429 2.403 20 0 EEADRL O=C([O-])CCCCCC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000324395774 684032137 /nfs/dbraw/zinc/03/21/37/684032137.db2.gz NZTNIHZZTTYWLM-UHFFFAOYSA-N -2 0 348.352 2.047 20 0 EEADRL CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000863962021 1197938407 /nfs/dbraw/zinc/93/84/07/1197938407.db2.gz DNCXRZVQGFXMBZ-OLZOCXBDSA-N -2 0 341.429 2.331 20 0 EEADRL CCOc1ccncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185876607 1278844121 /nfs/dbraw/zinc/84/41/21/1278844121.db2.gz XNRLDUKHNJHXQF-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL O=C(c1ccccc1OP(=O)([O-])[O-])N1CC2(C1)CC(F)(F)C2 ZINC001189860237 1280523169 /nfs/dbraw/zinc/52/31/69/1280523169.db2.gz CKHDFKUQGBKQLX-UHFFFAOYSA-N -2 0 333.227 2.029 20 0 EEADRL Cn1cc2cccc(NC(=O)c3ccccc3OP(=O)([O-])[O-])c2n1 ZINC001189889497 1280564654 /nfs/dbraw/zinc/56/46/54/1280564654.db2.gz UYVMIQJLUGXKIA-UHFFFAOYSA-N -2 0 347.267 2.297 20 0 EEADRL CC1(C)C[C@@H](CNC(=O)c2ccccc2OP(=O)([O-])[O-])CCO1 ZINC001189899592 1280570700 /nfs/dbraw/zinc/57/07/00/1280570700.db2.gz QLDMVJFDXHUMNY-NSHDSACASA-N -2 0 343.316 2.093 20 0 EEADRL Cc1ccnnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001193974565 1282801333 /nfs/dbraw/zinc/80/13/33/1282801333.db2.gz OBQWUKQEBJTWHS-UHFFFAOYSA-N -2 0 345.739 2.077 20 0 EEADRL Cc1cccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195185701 1283473083 /nfs/dbraw/zinc/47/30/83/1283473083.db2.gz SMCZDWHIUHCMJI-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL CCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(N)c1 ZINC001214275396 1296384798 /nfs/dbraw/zinc/38/47/98/1296384798.db2.gz SHSVEFZPYFUTKD-UHFFFAOYSA-N -2 0 336.369 2.167 20 0 EEADRL CC(C)S(=O)(=O)c1ccc(-c2ccc(P(=O)([O-])[O-])cc2)cc1 ZINC001240208383 1309277036 /nfs/dbraw/zinc/27/70/36/1309277036.db2.gz PKJHGDJJSPHIJN-UHFFFAOYSA-N -2 0 340.337 2.339 20 0 EEADRL CN(CC1CC1)c1cncc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242161088 1309622443 /nfs/dbraw/zinc/62/24/43/1309622443.db2.gz UZHNJTVHAZXTMU-UHFFFAOYSA-N -2 0 327.340 2.386 20 0 EEADRL Nc1ccccc1-c1cc(=O)n(-c2ccccc2S(=O)(=O)[O-])[n-]1 ZINC001245947312 1310195016 /nfs/dbraw/zinc/19/50/16/1310195016.db2.gz VWIHYISDQKENBF-UHFFFAOYSA-N -2 0 331.353 2.074 20 0 EEADRL Cc1nn(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259213162 1319487820 /nfs/dbraw/zinc/48/78/20/1319487820.db2.gz WJVNNFIGMVCKIL-UHFFFAOYSA-N -2 0 347.755 2.020 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3c2C(=O)CC3)cc1 ZINC001260227679 1319837659 /nfs/dbraw/zinc/83/76/59/1319837659.db2.gz SNVPIUOCQLCZDX-UHFFFAOYSA-N -2 0 331.349 2.315 20 0 EEADRL O=C([O-])c1cncc(S(=O)(=O)[N-]c2cccc3cccnc32)c1 ZINC001602543882 1350542623 /nfs/dbraw/zinc/54/26/23/1350542623.db2.gz YEMQOWOKZZDQAF-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL O=C([O-])c1ncsc1S(=O)(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC001602583556 1350551157 /nfs/dbraw/zinc/55/11/57/1350551157.db2.gz VQTMNIOILYYJLG-KXUCPTDWSA-N -2 0 330.431 2.088 20 0 EEADRL O=C([O-])c1ncsc1S(=O)(=O)NC1(C2CCCCC2)CC1 ZINC001602583570 1350551211 /nfs/dbraw/zinc/55/12/11/1350551211.db2.gz OYRBQZATDZSOEL-UHFFFAOYSA-N -2 0 330.431 2.233 20 0 EEADRL O=C([O-])CC1(CS(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC001608681800 1351740997 /nfs/dbraw/zinc/74/09/97/1351740997.db2.gz OQWJWPCHWJCCBU-UHFFFAOYSA-N -2 0 347.776 2.035 20 0 EEADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2c[nH]c3ccccc23)cc1 ZINC001608762860 1351757133 /nfs/dbraw/zinc/75/71/33/1351757133.db2.gz ZNQFMEHTRXTHGI-UHFFFAOYSA-N -2 0 346.364 2.432 20 0 EEADRL O=C([O-])c1c(Cl)cccc1S(=O)(=O)[N-]C(=O)[C@H]1CC12CCC2 ZINC001608827145 1351773057 /nfs/dbraw/zinc/77/30/57/1351773057.db2.gz AIXXCGGVDSBQPN-MRVPVSSYSA-N -2 0 343.788 2.033 20 0 EEADRL O=C([O-])c1cc(NC(=O)N2CC[C@@H](C(=O)[O-])C2)cc(Cl)c1F ZINC001608853975 1351779635 /nfs/dbraw/zinc/77/96/35/1351779635.db2.gz FSFQHHHSSSMDDB-ZCFIWIBFSA-N -2 0 330.699 2.116 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cn2)o1 ZINC001608913458 1351792516 /nfs/dbraw/zinc/79/25/16/1351792516.db2.gz QHMYBXUOVUGLKF-UHFFFAOYSA-N -2 0 336.247 2.192 20 0 EEADRL CC(C)n1cnc(S(=O)(=O)[N-]c2cc3[nH]ccc3c(C(=O)[O-])c2)c1 ZINC001609724525 1352069720 /nfs/dbraw/zinc/06/97/20/1352069720.db2.gz XIHGLQSWMZUYHK-UHFFFAOYSA-N -2 0 348.384 2.444 20 0 EEADRL CC[C@H](C)c1ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cc1 ZINC001609908990 1352117576 /nfs/dbraw/zinc/11/75/76/1352117576.db2.gz HTFJGBORZXFDHM-NSHDSACASA-N -2 0 341.429 2.371 20 0 EEADRL CCCC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001609949632 1352127672 /nfs/dbraw/zinc/12/76/72/1352127672.db2.gz AUDCLUDTYRVACL-UHFFFAOYSA-N -2 0 333.431 2.468 20 0 EEADRL CCc1ccccc1C(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001610068327 1352154437 /nfs/dbraw/zinc/15/44/37/1352154437.db2.gz ZPMXYDMTLBRWKG-UHFFFAOYSA-N -2 0 348.380 2.034 20 0 EEADRL O=C([O-])c1ccccc1CCC(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC001610659580 1352258197 /nfs/dbraw/zinc/25/81/97/1352258197.db2.gz FWAMULLBVOZJSU-UHFFFAOYSA-N -2 0 339.413 2.096 20 0 EEADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1cnc2n1CCCC2 ZINC001600002224 1349953298 /nfs/dbraw/zinc/95/32/98/1349953298.db2.gz LXIFFRZVWBPYDW-UHFFFAOYSA-N -2 0 341.414 2.088 20 0 EEADRL Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])s1)OCO2 ZINC001600307451 1350016635 /nfs/dbraw/zinc/01/66/35/1350016635.db2.gz OIPDCJSEURJBHL-UHFFFAOYSA-N -2 0 341.366 2.284 20 0 EEADRL Cn1[n-]c(C(=O)N[C@H](CC(=O)[O-])c2cccc3ccccc32)cc1=O ZINC001601000143 1350186254 /nfs/dbraw/zinc/18/62/54/1350186254.db2.gz HSKIQZNIZLXSOJ-CQSZACIVSA-N -2 0 339.351 2.225 20 0 EEADRL O=C([O-])[C@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])c1cccs1 ZINC001601405608 1350276579 /nfs/dbraw/zinc/27/65/79/1350276579.db2.gz LZVPADCZWHXBET-CQSZACIVSA-N -2 0 343.364 2.195 20 0 EEADRL O=C([O-])[C@@H]1CCN(C(=O)c2s[n-]c(=O)c2Cl)[C@@H]2CCC[C@@H]21 ZINC001601827255 1350374563 /nfs/dbraw/zinc/37/45/63/1350374563.db2.gz VGQPAGCKUJDBLF-BWZBUEFSSA-N -2 0 330.793 2.218 20 0 EEADRL O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)cc1 ZINC001601884742 1350390616 /nfs/dbraw/zinc/39/06/16/1350390616.db2.gz LTVSEUXMLZAOJC-ZZXKWVIFSA-N -2 0 343.311 2.177 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nc(Cl)ccc2Cl)o1 ZINC001602402480 1350511165 /nfs/dbraw/zinc/51/11/65/1350511165.db2.gz HJTUNMDEOPUULV-UHFFFAOYSA-N -2 0 337.140 2.480 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)c1 ZINC001602559649 1350546743 /nfs/dbraw/zinc/54/67/43/1350546743.db2.gz VQIQXYWVQDKLOH-UHFFFAOYSA-N -3 0 345.716 2.130 20 0 EEADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC001602586402 1350551828 /nfs/dbraw/zinc/55/18/28/1350551828.db2.gz DXUCDUBBZBMSET-UHFFFAOYSA-N -2 0 341.345 2.263 20 0 EEADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCCc1ccc2ccccc2c1 ZINC001603205382 1350661818 /nfs/dbraw/zinc/66/18/18/1350661818.db2.gz VBWQKZXIHFCRFH-GFCCVEGCSA-N -2 0 349.408 2.082 20 0 EEADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CCCc1ccc2ccccc2c1 ZINC001603205383 1350661986 /nfs/dbraw/zinc/66/19/86/1350661986.db2.gz VBWQKZXIHFCRFH-LBPRGKRZSA-N -2 0 349.408 2.082 20 0 EEADRL CC(C)c1oncc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001604029830 1350833602 /nfs/dbraw/zinc/83/36/02/1350833602.db2.gz SDMYAVXHNSYBDA-UHFFFAOYSA-N -2 0 342.348 2.365 20 0 EEADRL COc1cc(C)ccc1[N-]S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001607150063 1351438286 /nfs/dbraw/zinc/43/82/86/1351438286.db2.gz RZEMJBWRAKQACF-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001607266746 1351461657 /nfs/dbraw/zinc/46/16/57/1351461657.db2.gz VOUNLHZCAUAPAX-UHFFFAOYSA-N -2 0 331.346 2.395 20 0 EEADRL Cc1cc(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)oc1C(=O)[O-] ZINC001607570410 1351517552 /nfs/dbraw/zinc/51/75/52/1351517552.db2.gz WBXNTMQKIVILHH-UHFFFAOYSA-N -2 0 347.352 2.269 20 0 EEADRL Cc1ccc(NC(=O)C(=O)[N-]OC2CCCCC2)c(C(=O)[O-])c1C ZINC001607798704 1351561218 /nfs/dbraw/zinc/56/12/18/1351561218.db2.gz VSNZQSLJIWUHAH-UHFFFAOYSA-N -2 0 334.372 2.321 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2c(Cl)cnn2C)c(C(=O)[O-])c1C ZINC001607809174 1351563636 /nfs/dbraw/zinc/56/36/36/1351563636.db2.gz IUVNAWSOLXCRRS-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL Cc1ccccc1C(F)(F)C[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001607879078 1351577204 /nfs/dbraw/zinc/57/72/04/1351577204.db2.gz RRGLLQVXWNGXJF-UHFFFAOYSA-N -2 0 335.372 2.117 20 0 EEADRL CCOc1ncccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000320149618 778774757 /nfs/dbraw/zinc/77/47/57/778774757.db2.gz WNSGLUNYAHWOGO-UHFFFAOYSA-N -2 0 340.332 2.118 20 0 EEADRL CC(C)(C)[C@@H]1CCc2nnc(NCCOP(=O)([O-])[O-])cc2C1 ZINC001168589718 790655683 /nfs/dbraw/zinc/65/56/83/790655683.db2.gz NDWDKMSGNUHALZ-LLVKDONJSA-N -2 0 329.337 2.149 20 0 EEADRL CC(C)(C)OC(=O)c1ccc(F)cc1NCCOP(=O)([O-])[O-] ZINC001168592514 790826208 /nfs/dbraw/zinc/82/62/08/790826208.db2.gz SOPUDMMBGVPTPG-UHFFFAOYSA-N -2 0 335.268 2.302 20 0 EEADRL O=[P@@]([O-])(O)C1(Nc2nncc3ccoc32)Cc2ccccc2C1 ZINC001167934968 780991576 /nfs/dbraw/zinc/99/15/76/780991576.db2.gz MPFPPCLLYUWSSL-UHFFFAOYSA-N -2 0 331.268 2.308 20 0 EEADRL C[C@H]1CCN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])[C@@H](C(=O)[O-])C1 ZINC000909780778 786241967 /nfs/dbraw/zinc/24/19/67/786241967.db2.gz SFVITVKTMOHWAL-GXFFZTMASA-N -2 0 347.346 2.042 20 0 EEADRL Cc1c(Cl)cccc1C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910182744 786515440 /nfs/dbraw/zinc/51/54/40/786515440.db2.gz JGTVEDIHKFUEHX-SKDRFNHKSA-N -2 0 325.748 2.038 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)C1 ZINC000910185738 786517761 /nfs/dbraw/zinc/51/77/61/786517761.db2.gz YABSYHQNHFNLIP-KJWHEZOQSA-N -2 0 337.416 2.369 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCc1cccc(Cl)c1 ZINC000910187857 786520617 /nfs/dbraw/zinc/52/06/17/786520617.db2.gz HCMZNUHQMUPIHK-WCQYABFASA-N -2 0 339.775 2.049 20 0 EEADRL CC(C)[C@H]1CC[C@H](C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])CC1 ZINC000910192762 786524142 /nfs/dbraw/zinc/52/41/42/786524142.db2.gz UVKQPBLZKFPONT-AAVRWANBSA-N -2 0 325.405 2.225 20 0 EEADRL O=C(NCCCC[P@](=O)([O-])O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC001183485885 801608322 /nfs/dbraw/zinc/60/83/22/801608322.db2.gz MFUNNZHNJFSNNM-WDEREUQCSA-N -2 0 333.271 2.142 20 0 EEADRL COc1ncccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793363373 810283384 /nfs/dbraw/zinc/28/33/84/810283384.db2.gz JLZPCMIVEFTGGM-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1O ZINC000793349579 810301335 /nfs/dbraw/zinc/30/13/35/810301335.db2.gz ROYGBXDTFUPCRH-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2ccn(C(C)(C)C(=O)[O-])n2)c(C)c1 ZINC001600483733 970814014 /nfs/dbraw/zinc/81/40/14/970814014.db2.gz MCJCTVAYZNEAQY-UHFFFAOYSA-N -2 0 337.401 2.120 20 0 EEADRL CC(C)(C)OC(=O)c1cc(NC(=O)[C@H](C(=O)[O-])C2CCCC2)[nH]n1 ZINC001602915555 971867070 /nfs/dbraw/zinc/86/70/70/971867070.db2.gz FZEYWWJJOVWIRW-GFCCVEGCSA-N -2 0 337.376 2.195 20 0 EEADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cccc(Br)c2[O-])C1 ZINC001589274979 953458388 /nfs/dbraw/zinc/45/83/88/953458388.db2.gz OURCIVIILOLBAF-BDAKNGLRSA-N -2 0 342.189 2.338 20 0 EEADRL C[C@H](CC(=O)[O-])NC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC001589001409 955328456 /nfs/dbraw/zinc/32/84/56/955328456.db2.gz OMJKHZWWOUWXED-RXMQYKEDSA-N -2 0 336.569 2.401 20 0 EEADRL Cc1n[nH]c(C)c1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000036736464 957233010 /nfs/dbraw/zinc/23/30/10/957233010.db2.gz GEGNYXHMRLCMMZ-UHFFFAOYSA-N -2 0 329.765 2.179 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2cccc(CCC(=O)[O-])c2)s1 ZINC000235943169 960533412 /nfs/dbraw/zinc/53/34/12/960533412.db2.gz NFCBOPKTJQANDR-UHFFFAOYSA-N -2 0 326.399 2.270 20 0 EEADRL N#Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1F ZINC000307916057 963240254 /nfs/dbraw/zinc/24/02/54/963240254.db2.gz LFZQKZACVDRJNK-UHFFFAOYSA-N -2 0 338.291 2.335 20 0 EEADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cccc3c2OCC3)c1 ZINC001606313049 973730347 /nfs/dbraw/zinc/73/03/47/973730347.db2.gz KHCQUXNGPCNPAT-UHFFFAOYSA-N -2 0 333.365 2.049 20 0 EEADRL CC[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001595036463 979196055 /nfs/dbraw/zinc/19/60/55/979196055.db2.gz UASBTFRGKNRBHS-CYBMUJFWSA-N -2 0 341.429 2.403 20 0 EEADRL CCCc1ccc(S(=O)(=O)[N-]c2c(C(=O)[O-])c(C)nn2C)cc1 ZINC001596069138 983382874 /nfs/dbraw/zinc/38/28/74/983382874.db2.gz QTTYYNSPCXGALW-UHFFFAOYSA-N -2 0 337.401 2.180 20 0 EEADRL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001599967602 985936500 /nfs/dbraw/zinc/93/65/00/985936500.db2.gz UBLJHTAXJAGESJ-UHFFFAOYSA-N -2 0 337.329 2.216 20 0 EEADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC001589452889 986854773 /nfs/dbraw/zinc/85/47/73/986854773.db2.gz NGWAKPYEWIDXSC-HTVCTNPSSA-N -2 0 345.461 2.148 20 0 EEADRL C[C@@H](C(=O)[O-])c1cccc(NC(=O)C(C)(C)SCC(=O)[O-])c1 ZINC001589521578 987166919 /nfs/dbraw/zinc/16/69/19/987166919.db2.gz BKQOKTVOTUPYKA-SECBINFHSA-N -2 0 325.386 2.410 20 0 EEADRL CC(C)(C(=O)[O-])n1ccc(NC(=O)c2ncc3ccccc3c2[O-])n1 ZINC001589680462 987702674 /nfs/dbraw/zinc/70/26/74/987702674.db2.gz ARUAVPZOHKDRDW-UHFFFAOYSA-N -2 0 340.339 2.209 20 0 EEADRL CC(C)(C)C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001589784641 988167785 /nfs/dbraw/zinc/16/77/85/988167785.db2.gz ZLPDHLWSGXECRJ-WCQYABFASA-N -2 0 339.413 2.262 20 0 EEADRL CC(C)(CCC(=O)[O-])NC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001590660901 990358970 /nfs/dbraw/zinc/35/89/70/990358970.db2.gz KPENTPSHMOVOSE-UHFFFAOYSA-N -2 0 330.287 2.428 20 0 EEADRL CC(C)([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C(F)F ZINC001590879124 990790061 /nfs/dbraw/zinc/79/00/61/990790061.db2.gz LHNMJFLREUHAOB-UHFFFAOYSA-N -2 0 345.726 2.499 20 0 EEADRL COc1ccc2c(c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1)CCC2 ZINC001599633987 994260026 /nfs/dbraw/zinc/26/00/26/994260026.db2.gz PMWNXPLIZZVLPF-UHFFFAOYSA-N -2 0 348.380 2.078 20 0 EEADRL CC1(C)CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001593905607 996787304 /nfs/dbraw/zinc/78/73/04/996787304.db2.gz UMZMRUSCMNZRIW-VIFPVBQESA-N -2 0 345.442 2.468 20 0 EEADRL C[C@@H]1CCN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C[C@H]1C(=O)[O-] ZINC001594404033 999513634 /nfs/dbraw/zinc/51/36/34/999513634.db2.gz XONMZYDASHZSCV-VXNVDRBHSA-N -2 0 342.298 2.238 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2ccccc2COC)cc1C(=O)[O-] ZINC000270019018 539697847 /nfs/dbraw/zinc/69/78/47/539697847.db2.gz UUDXGCJUQCBYDE-UHFFFAOYSA-N -2 0 338.385 2.153 20 0 EEADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)n[nH]1 ZINC000323842406 539753713 /nfs/dbraw/zinc/75/37/13/539753713.db2.gz SWOYMUCWVZEQCH-UHFFFAOYSA-N -2 0 341.364 2.345 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)cc1C(=O)[O-] ZINC000348885333 539858391 /nfs/dbraw/zinc/85/83/91/539858391.db2.gz SUFQSXVXCZNDLJ-UHFFFAOYSA-N -2 0 344.776 2.366 20 0 EEADRL Cc1cc(C(=O)N2C[C@@H](C)c3ccccc32)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000081257556 217374701 /nfs/dbraw/zinc/37/47/01/217374701.db2.gz GBPWSWHJTQQLIB-SNVBAGLBSA-N -2 0 336.351 2.096 20 0 EEADRL CC(C)Cn1cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cn1 ZINC000267284568 256045178 /nfs/dbraw/zinc/04/51/78/256045178.db2.gz WCSNKSKPCJQPPE-UHFFFAOYSA-N -2 0 341.364 2.177 20 0 EEADRL CCOc1ncccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000316025798 311590473 /nfs/dbraw/zinc/59/04/73/311590473.db2.gz DDRXKRPNRUBUNS-UHFFFAOYSA-N -2 0 342.398 2.349 20 0 EEADRL Cc1ncc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])o1 ZINC000416540748 313251285 /nfs/dbraw/zinc/25/12/85/313251285.db2.gz BQZLAWLDJGAYIM-UHFFFAOYSA-N -2 0 336.291 2.186 20 0 EEADRL CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000436606103 314980457 /nfs/dbraw/zinc/98/04/57/314980457.db2.gz LYJFRVWGTOTOJJ-UHFFFAOYSA-N -2 0 349.364 2.484 20 0 EEADRL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000568001710 319443794 /nfs/dbraw/zinc/44/37/94/319443794.db2.gz GCXCRTLXXIXQAJ-JTQLQIEISA-N -2 0 341.763 2.396 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cs1 ZINC000339077270 465068886 /nfs/dbraw/zinc/06/88/86/465068886.db2.gz IQVSVQFTZQKPLN-UHFFFAOYSA-N -3 0 345.329 2.084 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)sc1C(=O)[O-] ZINC000065488461 462780075 /nfs/dbraw/zinc/78/00/75/462780075.db2.gz GQYUMJBHQRQRJL-UHFFFAOYSA-N -2 0 339.394 2.490 20 0 EEADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000096697678 463296537 /nfs/dbraw/zinc/29/65/37/463296537.db2.gz LOBDBXIENFZUBU-UHFFFAOYSA-N -2 0 349.364 2.397 20 0 EEADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000032596948 463382818 /nfs/dbraw/zinc/38/28/18/463382818.db2.gz PIHSTTBACAQEBE-UHFFFAOYSA-N -2 0 336.325 2.402 20 0 EEADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000350300829 466454427 /nfs/dbraw/zinc/45/44/27/466454427.db2.gz LRIQFPOKHKFUCJ-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL Cc1cc(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)ccc1C(=O)[O-] ZINC000350829198 466618645 /nfs/dbraw/zinc/61/86/45/466618645.db2.gz IIDFABSCXSEFAB-UHFFFAOYSA-N -2 0 349.364 2.121 20 0 EEADRL O=C([O-])C[C@@H]1CCCCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000653320833 471582153 /nfs/dbraw/zinc/58/21/53/471582153.db2.gz XGVDZMRFHSTAGK-ZDUSSCGKSA-N -2 0 329.356 2.047 20 0 EEADRL CCC(CC)c1n[n-]c(=NC(=O)NC[C@@H](C(=O)[O-])C(C)C)s1 ZINC000653534516 471655221 /nfs/dbraw/zinc/65/52/21/471655221.db2.gz PROPMJLWRHSLBC-SNVBAGLBSA-N -2 0 328.438 2.342 20 0 EEADRL CC[C@H](c1n[n-]c(=NC(=O)NC[C@@H](C)C(=O)[O-])s1)c1ccccc1 ZINC000653538645 471657112 /nfs/dbraw/zinc/65/71/12/471657112.db2.gz BUWCYBCBLJDTGO-PWSUYJOCSA-N -2 0 348.428 2.344 20 0 EEADRL O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000663030108 472332484 /nfs/dbraw/zinc/33/24/84/472332484.db2.gz UTCOFVTWXSKMQR-ZDUSSCGKSA-N -2 0 335.356 2.010 20 0 EEADRL CC(C)C[C@H](CNC(=O)c1nn(-c2ccccc2)cc1[O-])CC(=O)[O-] ZINC000663137927 472369988 /nfs/dbraw/zinc/36/99/88/472369988.db2.gz BFWNGBAENMMCSW-ZDUSSCGKSA-N -2 0 345.399 2.445 20 0 EEADRL CC(C)c1nc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c[nH]1 ZINC000674050945 485623212 /nfs/dbraw/zinc/62/32/12/485623212.db2.gz YJCNWGCEXCBHEU-UHFFFAOYSA-N -2 0 327.337 2.171 20 0 EEADRL COc1cc(Cl)ccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000775297585 577434388 /nfs/dbraw/zinc/43/43/88/577434388.db2.gz TVXKKKXGWOJYSM-UHFFFAOYSA-N -2 0 330.749 2.176 20 0 EEADRL O=C([O-])Nc1cccc(C(=O)OCC(=O)[N-]OCc2ccccc2)c1 ZINC000740037491 578078241 /nfs/dbraw/zinc/07/82/41/578078241.db2.gz UQZCJSXLTQURDL-UHFFFAOYSA-N -2 0 344.323 2.181 20 0 EEADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000740249550 578087456 /nfs/dbraw/zinc/08/74/56/578087456.db2.gz ZSNFMASGEJRGIK-UHFFFAOYSA-N -2 0 344.295 2.182 20 0 EEADRL CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC000736228075 578189172 /nfs/dbraw/zinc/18/91/72/578189172.db2.gz FTHGLPDZNMXTKH-UHFFFAOYSA-N -2 0 328.324 2.394 20 0 EEADRL CC(C)Sc1ccccc1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000736499239 578207832 /nfs/dbraw/zinc/20/78/32/578207832.db2.gz VSVPFNIRXFSNRQ-UHFFFAOYSA-N -2 0 345.442 2.112 20 0 EEADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736964017 578231453 /nfs/dbraw/zinc/23/14/53/578231453.db2.gz BYHHWZYPZRVBHB-LBPRGKRZSA-N -2 0 341.429 2.200 20 0 EEADRL C[C@](CC(=O)NCc1ccc(C(=O)[O-])cc1)(C(=O)[O-])c1ccccc1 ZINC000817998754 597204999 /nfs/dbraw/zinc/20/49/99/597204999.db2.gz XNGKWSQPLSHCGE-LJQANCHMSA-N -2 0 341.363 2.434 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)cc1C(=O)[O-] ZINC000833029379 601230756 /nfs/dbraw/zinc/23/07/56/601230756.db2.gz HNZCUIFVJVLEFJ-UHFFFAOYSA-N -2 0 347.352 2.273 20 0 EEADRL COc1ncc(C)cc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000832654121 601333755 /nfs/dbraw/zinc/33/37/55/601333755.db2.gz IPNFJQFGAGHTAX-YVMONPNESA-N -2 0 348.380 2.297 20 0 EEADRL Cc1nc(C)c([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])s1 ZINC000832995907 601486109 /nfs/dbraw/zinc/48/61/09/601486109.db2.gz NGWJRZOTDMEEFT-UHFFFAOYSA-N -2 0 330.387 2.469 20 0 EEADRL CCCc1nnc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)s1 ZINC000829573874 601503523 /nfs/dbraw/zinc/50/35/23/601503523.db2.gz JPKOTBWSHWFPLZ-UHFFFAOYSA-N -2 0 341.414 2.298 20 0 EEADRL CCn1cnc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000166569499 601782860 /nfs/dbraw/zinc/78/28/60/601782860.db2.gz QADPIUZWPLROFI-UHFFFAOYSA-N -2 0 329.765 2.055 20 0 EEADRL Cn1ccc2c1cccc2[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833055115 601839795 /nfs/dbraw/zinc/83/97/95/601839795.db2.gz CUDUXIPFZOKYGM-UHFFFAOYSA-N -2 0 337.382 2.134 20 0 EEADRL CCCCc1cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])n[nH]1 ZINC000829430723 602103167 /nfs/dbraw/zinc/10/31/67/602103167.db2.gz MTMSLMQRKICIDB-UHFFFAOYSA-N -2 0 341.364 2.390 20 0 EEADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000833346063 602155972 /nfs/dbraw/zinc/15/59/72/602155972.db2.gz DONAEROKBSPIJR-UHFFFAOYSA-N -2 0 338.288 2.059 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cccc3c2OCCO3)c(C(=O)[O-])c1 ZINC000833751391 605186029 /nfs/dbraw/zinc/18/60/29/605186029.db2.gz WITVTCGSNSXWDZ-UHFFFAOYSA-N -2 0 349.364 2.265 20 0 EEADRL CC[C@@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000833638715 605680153 /nfs/dbraw/zinc/68/01/53/605680153.db2.gz OGPUHJPDZGJYNP-MNOVXSKESA-N -2 0 327.402 2.013 20 0 EEADRL CC(C)c1cccc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C)c1 ZINC000863956260 1197936596 /nfs/dbraw/zinc/93/65/96/1197936596.db2.gz LUAMIPBGXQUTDP-CYBMUJFWSA-N -2 0 341.429 2.362 20 0 EEADRL CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC000863953152 1197936749 /nfs/dbraw/zinc/93/67/49/1197936749.db2.gz OCQPZNRTCNRAGI-CYBMUJFWSA-N -2 0 341.429 2.191 20 0 EEADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1C ZINC000863960654 1197937490 /nfs/dbraw/zinc/93/74/90/1197937490.db2.gz YEHNCKLUTLVXGZ-UHFFFAOYSA-N -2 0 341.429 2.140 20 0 EEADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)CCC2CCCC2)cc1 ZINC000863963212 1197938685 /nfs/dbraw/zinc/93/86/85/1197938685.db2.gz OSUGEMLNOAAMOW-UHFFFAOYSA-N -2 0 325.386 2.025 20 0 EEADRL CC(=O)c1ncccc1NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189871324 1280531554 /nfs/dbraw/zinc/53/15/54/1280531554.db2.gz MIRMSCKCNDMHDU-UHFFFAOYSA-N -2 0 336.240 2.008 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2cnc(C)s2)cc1C(=O)[O-] ZINC000443466237 1305964531 /nfs/dbraw/zinc/96/45/31/1305964531.db2.gz ZEHCFKSREVNGHM-UHFFFAOYSA-N -2 0 342.398 2.349 20 0 EEADRL CC(=O)Nc1cc2c(cc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1)OCO2 ZINC001242161268 1309623996 /nfs/dbraw/zinc/62/39/96/1309623996.db2.gz RXECCAKUKIUCAT-UHFFFAOYSA-N -2 0 343.291 2.437 20 0 EEADRL O=c1cc(-c2ccc(O)cc2)[n-]n1-c1ccccc1S(=O)(=O)[O-] ZINC001245941876 1310192216 /nfs/dbraw/zinc/19/22/16/1310192216.db2.gz SCPYTLHIQVSLSN-UHFFFAOYSA-N -2 0 332.337 2.197 20 0 EEADRL CCN(c1ccccc1)c1cc(NCCOP(=O)([O-])[O-])ncn1 ZINC001157796192 1318868075 /nfs/dbraw/zinc/86/80/75/1318868075.db2.gz ZTXFMPSHMZMFMB-UHFFFAOYSA-N -2 0 338.304 2.156 20 0 EEADRL Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])c(C(=O)[O-])c1 ZINC001600483576 1350062393 /nfs/dbraw/zinc/06/23/93/1350062393.db2.gz AKYQDGWKTHMRFN-UHFFFAOYSA-N -2 0 335.337 2.192 20 0 EEADRL O=C([O-])CSCc1cccc([N-]S(=O)(=O)c2ccoc2)c1 ZINC001602101742 1350438432 /nfs/dbraw/zinc/43/84/32/1350438432.db2.gz ALIPWTHOWUBZNJ-UHFFFAOYSA-N -2 0 327.383 2.398 20 0 EEADRL O=C([O-])C[C@H](NC(=O)CSc1n[n-]c(=S)s1)C1CCCC1 ZINC001608670578 1351738503 /nfs/dbraw/zinc/73/85/03/1351738503.db2.gz LHWPLDOGAYETLV-QMMMGPOBSA-N -2 0 347.487 2.069 20 0 EEADRL O=C([O-])CCc1csc(NC(=O)Nc2cccc(CC(=O)[O-])c2)n1 ZINC001608741103 1351753247 /nfs/dbraw/zinc/75/32/47/1351753247.db2.gz GWDYBNYJHFDMNP-UHFFFAOYSA-N -2 0 349.368 2.431 20 0 EEADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)n1 ZINC001608787109 1351763534 /nfs/dbraw/zinc/76/35/34/1351763534.db2.gz QXCIYJDGQSFBTB-UHFFFAOYSA-N -2 0 326.761 2.163 20 0 EEADRL O=C([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]c1ncccn1 ZINC001608845505 1351777774 /nfs/dbraw/zinc/77/77/74/1351777774.db2.gz DNEFZHYEIZEGKR-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cccc2c1OCO2 ZINC001608897315 1351789518 /nfs/dbraw/zinc/78/95/18/1351789518.db2.gz QGEKRJULADDMIE-UHFFFAOYSA-N -2 0 339.300 2.053 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2noc3c2CCCC3)cc1F ZINC001608914059 1351792932 /nfs/dbraw/zinc/79/29/32/1351792932.db2.gz WAAXWEMGBVLLCC-UHFFFAOYSA-N -2 0 340.332 2.192 20 0 EEADRL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C(F)(F)F ZINC001609654358 1352050855 /nfs/dbraw/zinc/05/08/55/1352050855.db2.gz RWBRMLWCBRVXLB-MRVPVSSYSA-N -2 0 346.352 2.097 20 0 EEADRL CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(F)(F)F ZINC001609901901 1352115100 /nfs/dbraw/zinc/11/51/00/1352115100.db2.gz VOJLPNKTAPKIRZ-MUWHJKNJSA-N -2 0 329.296 2.233 20 0 EEADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ncccc1Cl ZINC001610289756 1352200554 /nfs/dbraw/zinc/20/05/54/1352200554.db2.gz GPPJQIAXOOFICP-UHFFFAOYSA-N -2 0 348.789 2.304 20 0 EEADRL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1ccccc1 ZINC001610393886 1352215772 /nfs/dbraw/zinc/21/57/72/1352215772.db2.gz OTOYSERDDHGTDH-VIFPVBQESA-N -2 0 339.394 2.055 20 0 EEADRL O=C([O-])CN(C(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C1CCCC1 ZINC001610780573 1352273672 /nfs/dbraw/zinc/27/36/72/1352273672.db2.gz ATMLXSLRPZEEBN-UHFFFAOYSA-N -2 0 347.346 2.186 20 0 EEADRL O=C(N[C@@H](c1nnn[n-]1)c1ccccc1)c1cccc(Cl)c1[O-] ZINC001586100155 1348840032 /nfs/dbraw/zinc/84/00/32/1348840032.db2.gz MQMDNJQLVBMGBY-GFCCVEGCSA-N -2 0 329.747 2.078 20 0 EEADRL Cc1cc(Cl)c(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])cc1C ZINC001600216889 1349995146 /nfs/dbraw/zinc/99/51/46/1349995146.db2.gz JUUVOPVGCWZHSS-ZJUUUORDSA-N -2 0 347.820 2.126 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)sc1C ZINC001600296857 1350013398 /nfs/dbraw/zinc/01/33/98/1350013398.db2.gz HMVWLTJLDLSYSQ-WDEREUQCSA-N -2 0 345.442 2.061 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2nc(CCC(=O)[O-])cs2)c(C)o1 ZINC001600301732 1350015103 /nfs/dbraw/zinc/01/51/03/1350015103.db2.gz XEZRTJZWJNPGLO-UHFFFAOYSA-N -2 0 330.387 2.171 20 0 EEADRL Cc1cccc(NC(=O)N2C[C@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)c1C ZINC001600539778 1350077138 /nfs/dbraw/zinc/07/71/38/1350077138.db2.gz GIWVTWMZBIQLEG-YNAXMUEKSA-N -2 0 346.383 2.333 20 0 EEADRL Cc1sc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)nc1C(C)C ZINC001600889385 1350161010 /nfs/dbraw/zinc/16/10/10/1350161010.db2.gz HQTHXWUEPOQKKI-UHFFFAOYSA-N -2 0 329.403 2.402 20 0 EEADRL Cn1cc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c(C2CC2)n1 ZINC001600966391 1350178757 /nfs/dbraw/zinc/17/87/57/1350178757.db2.gz GMAGUGNBKLZJGY-WTKPLQERSA-N -2 0 347.396 2.196 20 0 EEADRL O=C([O-])[C@@H](C[C@H]1CCCOC1)NC(=O)c1cc(F)cc(Cl)c1[O-] ZINC001601413859 1350279054 /nfs/dbraw/zinc/27/90/54/1350279054.db2.gz YIPKXMBJNNXCLO-PRHODGIISA-N -2 0 345.754 2.184 20 0 EEADRL O=C([O-])C1(NC(=O)c2cc(Br)c(F)cc2[O-])CCC1 ZINC001601429425 1350282208 /nfs/dbraw/zinc/28/22/08/1350282208.db2.gz CPCQRQTZGHLKQR-UHFFFAOYSA-N -2 0 332.125 2.031 20 0 EEADRL O=C([O-])C1CC2(C1)CN(C(=O)/C=C\C1CCCCC1)C[C@@H]2C(=O)[O-] ZINC001601784623 1350364127 /nfs/dbraw/zinc/36/41/27/1350364127.db2.gz VRAAFHHFOZGKPX-MCIIMGIVSA-N -2 0 335.400 2.147 20 0 EEADRL O=C([O-])CCC1CCN(C(=O)NCCc2ccc(C(=O)[O-])cc2)CC1 ZINC001601977852 1350409795 /nfs/dbraw/zinc/40/97/95/1350409795.db2.gz STCAWDDBFGZCJQ-UHFFFAOYSA-N -2 0 348.399 2.214 20 0 EEADRL O=C([O-])CCc1cccc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)c1 ZINC001602044169 1350425226 /nfs/dbraw/zinc/42/52/26/1350425226.db2.gz OSZWBFSUBZPZLV-UHFFFAOYSA-N -2 0 349.412 2.037 20 0 EEADRL O=C([O-])Cc1ccccc1CNC(=O)c1s[n-]c(=O)c1Cl ZINC001602146911 1350451084 /nfs/dbraw/zinc/45/10/84/1350451084.db2.gz LRICSZBGOWXCMM-UHFFFAOYSA-N -2 0 326.761 2.059 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2ncc(-c3ccccc3)cn2)c1 ZINC001602558984 1350545929 /nfs/dbraw/zinc/54/59/29/1350545929.db2.gz JALAQUCSCGJWDA-UHFFFAOYSA-N -2 0 345.336 2.236 20 0 EEADRL CC(C)(C(=O)[N-]OCCCC(=O)[O-])c1cc(C(F)(F)F)ccn1 ZINC001603238959 1350668642 /nfs/dbraw/zinc/66/86/42/1350668642.db2.gz ASOUDGCBVBFCQZ-UHFFFAOYSA-N -2 0 334.294 2.291 20 0 EEADRL CC(C)(C)OC(=O)c1cc(NC(=O)c2ccc(C(=O)[O-])s2)[nH]n1 ZINC001603500846 1350713069 /nfs/dbraw/zinc/71/30/69/1350713069.db2.gz GLAWKYRGEQBLEH-UHFFFAOYSA-N -2 0 337.357 2.377 20 0 EEADRL CC1=CC[C@](C)(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])CC1 ZINC001604615594 1350970751 /nfs/dbraw/zinc/97/07/51/1350970751.db2.gz PDMBHRUBBNRJIN-AWEZNQCLSA-N -2 0 343.426 2.388 20 0 EEADRL CC[C@@](C)(CC(=O)[O-])NC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001604902479 1351028847 /nfs/dbraw/zinc/02/88/47/1351028847.db2.gz ZHCBNUSJAGDXEO-INIZCTEOSA-N -2 0 335.335 2.090 20 0 EEADRL CCC(CC)([N-]S(=O)(=O)c1onc(C2CC2)c1Cl)C(=O)[O-] ZINC001605010434 1351053612 /nfs/dbraw/zinc/05/36/12/1351053612.db2.gz JVCNGNXGKIMKFK-UHFFFAOYSA-N -2 0 336.797 2.127 20 0 EEADRL COCc1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)s1 ZINC001606971372 1351387952 /nfs/dbraw/zinc/38/79/52/1351387952.db2.gz JBCIQEAEFCEFCG-UHFFFAOYSA-N -2 0 342.398 2.097 20 0 EEADRL Cc1cnn(CC2CC2)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC001607599403 1351522041 /nfs/dbraw/zinc/52/20/41/1351522041.db2.gz NQNICRQITCGQRL-UHFFFAOYSA-N -2 0 349.412 2.409 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cccc3c2OCC3)sc1C(=O)[O-] ZINC001607697314 1351541396 /nfs/dbraw/zinc/54/13/96/1351541396.db2.gz IZECVODJBZSCMT-UHFFFAOYSA-N -2 0 339.394 2.490 20 0 EEADRL Cc1oc(C(=O)[O-])cc1C(=O)Nc1nccc(Br)c1[O-] ZINC001608036187 1351611133 /nfs/dbraw/zinc/61/11/33/1351611133.db2.gz MKEXLDSVJOWEIE-UHFFFAOYSA-N -2 0 341.117 2.402 20 0 EEADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000906877664 784205377 /nfs/dbraw/zinc/20/53/77/784205377.db2.gz YCJVUGUHSHSNDT-JQWIXIFHSA-N -2 0 325.386 2.044 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)/C=C\c2ccc(Cl)s2)C1 ZINC000910183267 786515319 /nfs/dbraw/zinc/51/53/19/786515319.db2.gz MMALQUMNYFACCF-QFPKCXCBSA-N -2 0 343.788 2.191 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000910184093 786515600 /nfs/dbraw/zinc/51/56/00/786515600.db2.gz QTWAKBIKGPSSHD-DJNTUHBLSA-N -2 0 337.759 2.130 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cccc3ccsc32)C1 ZINC000910183485 786515762 /nfs/dbraw/zinc/51/57/62/786515762.db2.gz BURHXRFGMMUHEX-PWSUYJOCSA-N -2 0 333.365 2.291 20 0 EEADRL C/C(=C\C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000910187131 786519243 /nfs/dbraw/zinc/51/92/43/786519243.db2.gz ABJIBYKQVSMTMK-VHYLPNJESA-N -2 0 335.331 2.005 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cccc(C3CC3)n2)cc1C(=O)[O-] ZINC001185275402 802433419 /nfs/dbraw/zinc/43/34/19/802433419.db2.gz LEEUOHKJPNQTHI-UHFFFAOYSA-N -2 0 348.380 2.467 20 0 EEADRL O=C([O-])c1cnc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC001595266769 949754480 /nfs/dbraw/zinc/75/44/80/949754480.db2.gz UPCFULGTPOHPIH-UHFFFAOYSA-N -2 0 328.111 2.440 20 0 EEADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccc(C3CC3)n2)cc1 ZINC001192685404 960559435 /nfs/dbraw/zinc/55/94/35/960559435.db2.gz LWVVVRHTQVJRCC-UHFFFAOYSA-N -2 0 348.380 2.223 20 0 EEADRL O=C([O-])C1([N-]S(=O)(=O)c2c(F)cccc2F)CCCCCC1 ZINC000314381988 963746485 /nfs/dbraw/zinc/74/64/85/963746485.db2.gz BBUIYDVSGBZVSC-UHFFFAOYSA-N -2 0 333.356 2.421 20 0 EEADRL Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000315425187 963898981 /nfs/dbraw/zinc/89/89/81/963898981.db2.gz JBLYWCRKDHYTSE-UHFFFAOYSA-N -2 0 342.354 2.464 20 0 EEADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CC[C@H]3C(=O)[O-])n2)cc1 ZINC001591943682 976482558 /nfs/dbraw/zinc/48/25/58/976482558.db2.gz POKUZZLZNQCEMD-ZDUSSCGKSA-N -2 0 329.356 2.000 20 0 EEADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)n2)c1 ZINC001591983288 976602702 /nfs/dbraw/zinc/60/27/02/976602702.db2.gz MTKCFBCSGLMHPC-BETUJISGSA-N -2 0 343.383 2.294 20 0 EEADRL C[C@](CC(=O)[O-])(NC(=O)c1s[n-]c(=O)c1Cl)c1ccccn1 ZINC001592321157 977720488 /nfs/dbraw/zinc/72/04/88/977720488.db2.gz KSIKICFHHCDULA-CYBMUJFWSA-N -2 0 341.776 2.017 20 0 EEADRL C[C@@H](CCC(C)(C)C)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001592477950 978248037 /nfs/dbraw/zinc/24/80/37/978248037.db2.gz PJZLLNZKICBRGN-VIFPVBQESA-N -2 0 331.390 2.245 20 0 EEADRL C[C@@H](CS(=O)(=O)[N-]C(=O)C12CCC(C(=O)[O-])(CC1)C2)C(C)(C)C ZINC001592800833 979460788 /nfs/dbraw/zinc/46/07/88/979460788.db2.gz ROXAKJIUEKSPHK-SOISORPOSA-N -2 0 345.461 2.150 20 0 EEADRL CCCC1(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)CCC1 ZINC001595616303 981642408 /nfs/dbraw/zinc/64/24/08/981642408.db2.gz PRINIDCTLQKABI-UHFFFAOYSA-N -2 0 329.374 2.062 20 0 EEADRL C/C(=C\C(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001588956442 984704622 /nfs/dbraw/zinc/70/46/22/984704622.db2.gz PAUJISVVHJSMIU-BQYQJAHWSA-N -2 0 331.415 2.244 20 0 EEADRL CC(C)(C)OC(=O)C1(C(=O)[N-]OCCCC(=O)[O-])C(C)(C)C1(C)C ZINC001589851935 988382789 /nfs/dbraw/zinc/38/27/89/988382789.db2.gz OOYKDOHJYHCDGU-UHFFFAOYSA-N -2 0 343.420 2.293 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)NC2CC(CC(=O)[O-])C2)n1 ZINC001597604589 988482994 /nfs/dbraw/zinc/48/29/94/988482994.db2.gz QIAWTWFIOOYMAB-UHFFFAOYSA-N -2 0 343.383 2.123 20 0 EEADRL C[C@@H]1CN(C(=O)c2cc(Br)cc(F)c2[O-])C[C@H]1C(=O)[O-] ZINC001599862765 989197091 /nfs/dbraw/zinc/19/70/91/989197091.db2.gz BPUHSRMFBBPHJQ-HZGVNTEJSA-N -2 0 346.152 2.087 20 0 EEADRL CS[C@H](C)CCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC001599782337 992381186 /nfs/dbraw/zinc/38/11/86/992381186.db2.gz AGYSKIKYOQZBHR-SNVBAGLBSA-N -2 0 345.442 2.030 20 0 EEADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001599582904 993575035 /nfs/dbraw/zinc/57/50/35/993575035.db2.gz IOEBIPXQAAHOBI-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL COc1cc(NC(=O)N2CCC(C)(C(=O)[O-])CC2)ccc1C(=O)[O-] ZINC001599434608 997821126 /nfs/dbraw/zinc/82/11/26/997821126.db2.gz IHLABOGMIJVAGJ-UHFFFAOYSA-N -2 0 336.344 2.112 20 0 EEADRL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC001594210597 998817854 /nfs/dbraw/zinc/81/78/54/998817854.db2.gz SGOHUNXYIJYCPB-JGVFFNPUSA-N -2 0 342.298 2.238 20 0 EEADRL C[C@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001594363587 999372604 /nfs/dbraw/zinc/37/26/04/999372604.db2.gz HPPHMVPOXBOESB-IUCAKERBSA-N -2 0 331.415 2.078 20 0 EEADRL C[C@H]1CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C[C@H]1C(=O)[O-] ZINC001594406379 999521710 /nfs/dbraw/zinc/52/17/10/999521710.db2.gz WVHVNQFRCGKITM-BSLXNSKLSA-N -2 0 346.383 2.449 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cc1C(=O)[O-] ZINC000315654312 539749473 /nfs/dbraw/zinc/74/94/73/539749473.db2.gz NSDZVWNCQIMVOP-UHFFFAOYSA-N -2 0 330.312 2.285 20 0 EEADRL COc1ccc(O)c(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)c1 ZINC000350510583 539874607 /nfs/dbraw/zinc/87/46/07/539874607.db2.gz DFDJQKDABYOTMZ-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1F ZINC000350728426 140949444 /nfs/dbraw/zinc/94/94/44/140949444.db2.gz BQMSLJCBZAJOME-UHFFFAOYSA-N -2 0 339.300 2.023 20 0 EEADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)[N-]N3CCCCC3=O)n2)c1 ZINC000084387927 159166501 /nfs/dbraw/zinc/16/65/01/159166501.db2.gz IALNLYGMVJPXHI-UHFFFAOYSA-N -2 0 342.399 2.359 20 0 EEADRL COc1cc(C)ccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000344117604 161199914 /nfs/dbraw/zinc/19/99/14/161199914.db2.gz UKIMOEDQAOXTHD-UHFFFAOYSA-N -2 0 340.339 2.314 20 0 EEADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c1 ZINC000361994828 164538891 /nfs/dbraw/zinc/53/88/91/164538891.db2.gz AYGOGSGCFOYSJC-UHFFFAOYSA-N -2 0 341.364 2.177 20 0 EEADRL Cc1cc(C(=O)N2CCC[C@H](C3CC3)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000292210384 275394620 /nfs/dbraw/zinc/39/46/20/275394620.db2.gz YYUBIIUYZRYQOF-NSHDSACASA-N -2 0 328.372 2.007 20 0 EEADRL C[C@H]1CCCc2nc(S(=O)(=O)[N-]c3cccc(CC(=O)[O-])c3)cn21 ZINC000416409245 313215638 /nfs/dbraw/zinc/21/56/38/313215638.db2.gz UNOBRUVEWOJHDS-NSHDSACASA-N -2 0 349.412 2.208 20 0 EEADRL Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000336862430 465056933 /nfs/dbraw/zinc/05/69/33/465056933.db2.gz JBZQPXDPSGKPTR-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL Cc1nc(C)c(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])s1 ZINC000175691756 464602305 /nfs/dbraw/zinc/60/23/05/464602305.db2.gz DPEWLLCPXBWXBW-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL CC(C)[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000569978129 468572628 /nfs/dbraw/zinc/57/26/28/468572628.db2.gz XWOXDUWDTFQDRH-ZETCQYMHSA-N -2 0 341.763 2.253 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)cc(C(=O)[O-])c1C ZINC000361771910 466274048 /nfs/dbraw/zinc/27/40/48/466274048.db2.gz KWQASGYUDZOOEM-UHFFFAOYSA-N -2 0 345.327 2.394 20 0 EEADRL Cc1noc(C)c1S(=O)(=O)[N-]c1cc(F)c(F)cc1C(=O)[O-] ZINC000315289132 466559343 /nfs/dbraw/zinc/55/93/43/466559343.db2.gz DCOIZHJIDPVPHU-UHFFFAOYSA-N -2 0 332.284 2.069 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)cs1 ZINC000320397803 466609031 /nfs/dbraw/zinc/60/90/31/466609031.db2.gz LAGSVCOEWYSCHK-UHFFFAOYSA-N -2 0 349.393 2.433 20 0 EEADRL CCOc1ncccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000321037362 466617322 /nfs/dbraw/zinc/61/73/22/466617322.db2.gz YIRMQGYOTQUSRW-UHFFFAOYSA-N -2 0 340.332 2.118 20 0 EEADRL COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C)c(C(=O)[O-])c1 ZINC000324987655 466651432 /nfs/dbraw/zinc/65/14/32/466651432.db2.gz VIRQQYGZHIZSJO-UHFFFAOYSA-N -2 0 349.364 2.281 20 0 EEADRL CC(C)(CC[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000424386171 467036738 /nfs/dbraw/zinc/03/67/38/467036738.db2.gz DKZKXXMOSYXRIV-UHFFFAOYSA-N -2 0 341.763 2.397 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2F)c1 ZINC000427310686 467149881 /nfs/dbraw/zinc/14/98/81/467149881.db2.gz WBFGOYBOUUHSLC-UHFFFAOYSA-N -2 0 339.300 2.023 20 0 EEADRL C[C@H]1CN(C(=O)N=c2nc(-c3ccccc3)[n-]s2)CC[C@H]1C(=O)[O-] ZINC000630558346 469899106 /nfs/dbraw/zinc/89/91/06/469899106.db2.gz LKZGOWPZDLOODK-CMPLNLGQSA-N -2 0 346.412 2.202 20 0 EEADRL O=C([O-])CC1(NC(=O)N=c2ccc(-c3ccccc3)n[n-]2)CCC1 ZINC000649540685 470620801 /nfs/dbraw/zinc/62/08/01/470620801.db2.gz BMRCXBVVFVBSKY-UHFFFAOYSA-N -2 0 326.356 2.084 20 0 EEADRL Cc1cn2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)ccc2n1 ZINC000738798843 578027125 /nfs/dbraw/zinc/02/71/25/578027125.db2.gz OFFAODMYJXVVQI-UHFFFAOYSA-N -2 0 337.382 2.203 20 0 EEADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736964046 578231515 /nfs/dbraw/zinc/23/15/15/578231515.db2.gz CONQIBDMQIDCJP-JTQLQIEISA-N -2 0 328.390 2.272 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2)c1C(=O)[O-] ZINC000832972607 600689107 /nfs/dbraw/zinc/68/91/07/600689107.db2.gz HXHKHHSHUGCHBH-UHFFFAOYSA-N -2 0 337.401 2.347 20 0 EEADRL O=C([O-])C[C@H]1CSCCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000833221896 600966259 /nfs/dbraw/zinc/96/62/59/600966259.db2.gz KYQVXQGEYRRLIB-VIFPVBQESA-N -2 0 338.410 2.149 20 0 EEADRL COCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1 ZINC000831821713 601231892 /nfs/dbraw/zinc/23/18/92/601231892.db2.gz FERBAIOFIZPOAR-UHFFFAOYSA-N -2 0 325.342 2.233 20 0 EEADRL CC[C@H](C)[C@H](NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-])C(=O)[O-] ZINC000237000975 601280666 /nfs/dbraw/zinc/28/06/66/601280666.db2.gz YIPXLDLJEWOYNY-XPTSAGLGSA-N -2 0 349.362 2.255 20 0 EEADRL O=C([O-])Cc1csc([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)n1 ZINC000833270075 601359291 /nfs/dbraw/zinc/35/92/91/601359291.db2.gz WJISLJVWFNCFPR-AATRIKPKSA-N -2 0 342.373 2.322 20 0 EEADRL Cc1ccncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000832984643 601576581 /nfs/dbraw/zinc/57/65/81/601576581.db2.gz CBJVOCNCNSSRSC-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)s1 ZINC000831444413 602117827 /nfs/dbraw/zinc/11/78/27/602117827.db2.gz ANYVGJGOSBICBQ-UHFFFAOYSA-N -2 0 347.395 2.095 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2nnc(C(F)F)s2)ccc1C(=O)[O-] ZINC000832904307 602212678 /nfs/dbraw/zinc/21/26/78/602212678.db2.gz GIEKXLGLMRJZSR-UHFFFAOYSA-N -2 0 349.340 2.283 20 0 EEADRL CCC(=O)c1ccc([O-])c([N-]S(=O)(=O)C[C@H]2CCCOC2)c1 ZINC000812272795 1200608471 /nfs/dbraw/zinc/60/84/71/1200608471.db2.gz NPDIEHNRNIQUFW-NSHDSACASA-N -2 0 327.402 2.153 20 0 EEADRL Cc1ccc(F)c([N-]S(=O)(=O)c2cn(C)c(Cl)n2)c1C(=O)[O-] ZINC000090164053 1212294101 /nfs/dbraw/zinc/29/41/01/1212294101.db2.gz BHIYSLDWQWQVSW-UHFFFAOYSA-N -2 0 347.755 2.020 20 0 EEADRL COc1ncc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1Cl ZINC001198741563 1285313847 /nfs/dbraw/zinc/31/38/47/1285313847.db2.gz OZUQIJRVLNXWAS-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL COc1ccc(Nc2ccsc2C(=O)[O-])c(S(=O)(=O)[O-])c1 ZINC001215395005 1296890200 /nfs/dbraw/zinc/89/02/00/1296890200.db2.gz DYJFHXUBRDQJMP-UHFFFAOYSA-N -2 0 329.355 2.445 20 0 EEADRL Cc1cc(=O)n(-c2ccc(-c3cc(CC(=O)[O-])ccc3F)nn2)[n-]1 ZINC001245315300 1310068709 /nfs/dbraw/zinc/06/87/09/1310068709.db2.gz FPRPJADKHLIFAL-UHFFFAOYSA-N -2 0 328.303 2.022 20 0 EEADRL Cc1cnc(NCCOP(=O)([O-])[O-])nc1-c1ccccc1F ZINC001157795587 1318866346 /nfs/dbraw/zinc/86/63/46/1318866346.db2.gz GEDNSCULJGTIBM-UHFFFAOYSA-N -2 0 327.252 2.112 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)ccc1[S-] ZINC001258438059 1319259134 /nfs/dbraw/zinc/25/91/34/1319259134.db2.gz AWLFGWMCHFZGOK-UHFFFAOYSA-N -2 0 347.849 2.480 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2ccc(Br)cc2[S-])cn1 ZINC001259826898 1319697077 /nfs/dbraw/zinc/69/70/77/1319697077.db2.gz BSTPHOXMGQLDAT-UHFFFAOYSA-N -2 0 348.247 2.272 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(-c3ccccn3)no2)c1 ZINC001260184274 1319817991 /nfs/dbraw/zinc/81/79/91/1319817991.db2.gz XNEOJQHFVWKQCC-UHFFFAOYSA-N -2 0 345.336 2.236 20 0 EEADRL Cn1cnc2c1cccc2[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260216477 1319834185 /nfs/dbraw/zinc/83/41/85/1319834185.db2.gz JULQHDYYVYIVSC-UHFFFAOYSA-N -2 0 349.343 2.211 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3ccccc3n2)ccc1O ZINC001260391288 1319881442 /nfs/dbraw/zinc/88/14/42/1319881442.db2.gz GRYGXBGCBUIHSN-UHFFFAOYSA-N -2 0 344.348 2.439 20 0 EEADRL O=C([O-])C[C@H](NS(=O)(=O)c1ncc[n-]1)c1ccc2ccccc2c1 ZINC001602114971 1350442271 /nfs/dbraw/zinc/44/22/71/1350442271.db2.gz CZWVWBRGMFZGPB-AWEZNQCLSA-N -2 0 345.380 2.057 20 0 EEADRL O=C([O-])CCCNC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001608714667 1351747695 /nfs/dbraw/zinc/74/76/95/1351747695.db2.gz WIBFCVMJDZZCNJ-UHFFFAOYSA-N -2 0 346.339 2.290 20 0 EEADRL O=C([O-])CSCc1cccc(NC(=O)C2(C(=O)[O-])CC=CC2)c1 ZINC001608768389 1351758595 /nfs/dbraw/zinc/75/85/95/1351758595.db2.gz RLEZSOIEHKECJC-UHFFFAOYSA-N -2 0 335.381 2.364 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H](CC2CC2)c2ccccc2)on1 ZINC001608859857 1351780294 /nfs/dbraw/zinc/78/02/94/1351780294.db2.gz KZNLJPCAOUXGFY-LBPRGKRZSA-N -2 0 336.369 2.193 20 0 EEADRL O=C([O-])c1cncc(N2CCC(c3ccccc3C(=O)[O-])CC2)n1 ZINC001608981341 1351807407 /nfs/dbraw/zinc/80/74/07/1351807407.db2.gz QLRBSUIHQMPXMB-UHFFFAOYSA-N -2 0 327.340 2.257 20 0 EEADRL O=C([O-])c1cncc(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)c1 ZINC001608983239 1351807936 /nfs/dbraw/zinc/80/79/36/1351807936.db2.gz VYFUIUDYKWJMSZ-UHFFFAOYSA-N -2 0 343.364 2.371 20 0 EEADRL CC(C)(CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1O)C(=O)[O-] ZINC001609677954 1352056629 /nfs/dbraw/zinc/05/66/29/1352056629.db2.gz LFUPECTUVDKIFQ-UHFFFAOYSA-N -2 0 341.307 2.264 20 0 EEADRL CC[C@H](C)C[C@@H](NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)C(=O)[O-] ZINC001609904431 1352115726 /nfs/dbraw/zinc/11/57/26/1352115726.db2.gz KHBXZJASFKFONR-XHDPSFHLSA-N -2 0 345.399 2.093 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1O ZINC001610078238 1352157260 /nfs/dbraw/zinc/15/72/60/1352157260.db2.gz YFUKGTQYQCAGRE-UHFFFAOYSA-N -2 0 325.342 2.355 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cnc3ccccc3c2)c(C(=O)[O-])[nH]1 ZINC001610474541 1352228643 /nfs/dbraw/zinc/22/86/43/1352228643.db2.gz MWJGDQTVMSQNQW-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL Cc1cc2c(cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cs1)OCO2 ZINC001610478997 1352229344 /nfs/dbraw/zinc/22/93/44/1352229344.db2.gz GVPJRAMBRXSCSK-UHFFFAOYSA-N -2 0 341.366 2.284 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc3c(cn2)CCC3)c(F)c1 ZINC001610840460 1352283274 /nfs/dbraw/zinc/28/32/74/1352283274.db2.gz KJBXPEHNZWMMIS-UHFFFAOYSA-N -2 0 336.344 2.208 20 0 EEADRL Cc1cc(C(=O)[O-])cc(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)c1 ZINC001594288691 1349875000 /nfs/dbraw/zinc/87/50/00/1349875000.db2.gz DMUXJBMAPYUIOR-UHFFFAOYSA-N -2 0 339.307 2.289 20 0 EEADRL Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C(=O)[O-])cn2)cc1 ZINC001600372108 1350032447 /nfs/dbraw/zinc/03/24/47/1350032447.db2.gz OXBDINWSVALVQA-AWEZNQCLSA-N -2 0 328.324 2.034 20 0 EEADRL Cc1ccsc1C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001600609378 1350097120 /nfs/dbraw/zinc/09/71/20/1350097120.db2.gz SPRHJTYHIVTMGP-UHFFFAOYSA-N -2 0 339.394 2.015 20 0 EEADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)C1=CCCCCC1 ZINC001601562284 1350306856 /nfs/dbraw/zinc/30/68/56/1350306856.db2.gz GYRVHCYUHCDJBR-UHFFFAOYSA-N -2 0 329.399 2.142 20 0 EEADRL O=C([O-])c1c(F)ccc(NC(=O)NC2CCC(C(=O)[O-])CC2)c1F ZINC001601605123 1350317847 /nfs/dbraw/zinc/31/78/47/1350317847.db2.gz MWTUMWJRKPCYOG-UHFFFAOYSA-N -2 0 342.298 2.428 20 0 EEADRL O=C([O-])[C@H](CC(F)F)[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC001601639867 1350325876 /nfs/dbraw/zinc/32/58/76/1350325876.db2.gz DNTJIKKRXNJFHH-ZETCQYMHSA-N -2 0 329.196 2.281 20 0 EEADRL O=C([O-])CSCC(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC001602097004 1350436652 /nfs/dbraw/zinc/43/66/52/1350436652.db2.gz AWSGETHJGPPCKS-UHFFFAOYSA-N -2 0 339.394 2.034 20 0 EEADRL O=C([O-])[C@@H]1CN(C(=O)c2cccc(F)c2[O-])C[C@H]1c1ccc(O)cc1 ZINC001602185855 1350460078 /nfs/dbraw/zinc/46/00/78/1350460078.db2.gz IIDAPMXUXRODHT-UONOGXRCSA-N -2 0 345.326 2.177 20 0 EEADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2cncc(Cl)n2)c1 ZINC001602264438 1350480963 /nfs/dbraw/zinc/48/09/63/1350480963.db2.gz OFVAJRUUWMFOKE-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL O=C([O-])c1cc(F)ccc1Cn1[n-]c(=O)c(Cl)c(Cl)c1=O ZINC001602274716 1350483351 /nfs/dbraw/zinc/48/33/51/1350483351.db2.gz GDPANMRKFLFQMM-UHFFFAOYSA-N -2 0 333.102 2.141 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)oc1Cl ZINC001602292697 1350486813 /nfs/dbraw/zinc/48/68/13/1350486813.db2.gz CUBAGPMCPGYUKB-SSDOTTSWSA-N -2 0 347.698 2.250 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnn(C3CCCC3)c2)cc1 ZINC001602402011 1350511184 /nfs/dbraw/zinc/51/11/84/1350511184.db2.gz CTNSLFFNFBWSQE-UHFFFAOYSA-N -2 0 335.385 2.497 20 0 EEADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC001602483591 1350529870 /nfs/dbraw/zinc/52/98/70/1350529870.db2.gz SHKOLABPNMJLOT-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL CC(C)(SCC(=O)[O-])C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001603693329 1350742930 /nfs/dbraw/zinc/74/29/30/1350742930.db2.gz MMGJPWPBZHXAQM-NWDGAFQWSA-N -2 0 337.397 2.410 20 0 EEADRL CC(C)c1nnc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)o1 ZINC001604026991 1350833417 /nfs/dbraw/zinc/83/34/17/1350833417.db2.gz VJAWBYKXFYWKRL-VMPITWQZSA-N -2 0 337.357 2.092 20 0 EEADRL C[C@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001604051523 1350839948 /nfs/dbraw/zinc/83/99/48/1350839948.db2.gz WWFMCKANXKTSKN-LLVKDONJSA-N -2 0 349.412 2.282 20 0 EEADRL C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001604125165 1350866230 /nfs/dbraw/zinc/86/62/30/1350866230.db2.gz KJTYQSQRZFLTGH-RXMQYKEDSA-N -2 0 347.261 2.282 20 0 EEADRL C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cc(Br)cc(F)c1[O-] ZINC001604633605 1350974006 /nfs/dbraw/zinc/97/40/06/1350974006.db2.gz BNRQYSPRHZLWHS-POYBYMJQSA-N -2 0 346.152 2.229 20 0 EEADRL C[C@@H]1CCC[C@H]1CC(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001604724084 1350991885 /nfs/dbraw/zinc/99/18/85/1350991885.db2.gz HMMRFAJCTGEOCI-YPMHNXCESA-N -2 0 339.413 2.157 20 0 EEADRL CCc1ccc([N-]S(=O)(=O)c2occc2C(=O)[O-])cc1OC ZINC001605821531 1351228132 /nfs/dbraw/zinc/22/81/32/1351228132.db2.gz LFDYYTIMRRIXFQ-UHFFFAOYSA-N -2 0 325.342 2.350 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc(OC)c1C ZINC001607180960 1351444393 /nfs/dbraw/zinc/44/43/93/1351444393.db2.gz JQOYFIKRWKQCIT-UHFFFAOYSA-N -2 0 341.341 2.104 20 0 EEADRL COc1ccccc1C[C@@H](CNC(=O)c1ccc(F)cc1[O-])C(=O)[O-] ZINC001607342540 1351478662 /nfs/dbraw/zinc/47/86/62/1351478662.db2.gz BDPLNNFAEOIIFH-LBPRGKRZSA-N -2 0 347.342 2.213 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)n[nH]c1C(C)C ZINC001607526306 1351510842 /nfs/dbraw/zinc/51/08/42/1351510842.db2.gz GDYXQEZWSQDWRK-UHFFFAOYSA-N -2 0 341.364 2.480 20 0 EEADRL Cc1nn(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1C(=O)[O-] ZINC001607621519 1351527309 /nfs/dbraw/zinc/52/73/09/1351527309.db2.gz FNQIVLYVZSANFZ-UHFFFAOYSA-N -2 0 337.401 2.153 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])cc2)c(C)c1 ZINC001607818347 1351564795 /nfs/dbraw/zinc/56/47/95/1351564795.db2.gz JPHMXCISWGDYOQ-UHFFFAOYSA-N -2 0 333.365 2.120 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2cccc3c2OCO3)c1C(=O)[O-] ZINC001607862942 1351573998 /nfs/dbraw/zinc/57/39/98/1351573998.db2.gz GKRVLHLUPQKHJU-UHFFFAOYSA-N -2 0 335.337 2.223 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1scc(C(=O)[O-])c1C ZINC001608042487 1351612190 /nfs/dbraw/zinc/61/21/90/1351612190.db2.gz VMSROKSZQZZJBY-UHFFFAOYSA-N -3 0 345.354 2.155 20 0 EEADRL O=P([O-])([O-])OCCNc1nc2c(F)ccc(F)c2nc1Cl ZINC001168591461 790767841 /nfs/dbraw/zinc/76/78/41/790767841.db2.gz RMHHAXRUELUQEW-UHFFFAOYSA-N -2 0 339.622 2.083 20 0 EEADRL O=C([O-])[C@@H](F)CNS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000906005712 783637238 /nfs/dbraw/zinc/63/72/38/783637238.db2.gz SAWRNPJRUBXFSL-ZETCQYMHSA-N -2 0 349.689 2.060 20 0 EEADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CCC3(CCC3)CC2)c1 ZINC000906979858 784297677 /nfs/dbraw/zinc/29/76/77/784297677.db2.gz DHYPDFCJKFDJEZ-UHFFFAOYSA-N -2 0 325.386 2.045 20 0 EEADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)N(CC(=O)[O-])CC(C)C)n2)c1 ZINC000908880364 785819022 /nfs/dbraw/zinc/81/90/22/785819022.db2.gz WIFNUUQWDHFOKY-UHFFFAOYSA-N -2 0 349.362 2.208 20 0 EEADRL CC(C)N(CCC(=O)[O-])C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000908962871 785883587 /nfs/dbraw/zinc/88/35/87/785883587.db2.gz RSADMLXXTDLSIZ-UHFFFAOYSA-N -2 0 335.335 2.042 20 0 EEADRL O=C([O-])[C@@H]1CCCCCN1C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000910043802 786415588 /nfs/dbraw/zinc/41/55/88/786415588.db2.gz HBUMAOAVVNHCMG-ZDUSSCGKSA-N -2 0 347.346 2.186 20 0 EEADRL Cc1cc(Cl)ccc1C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910181882 786514589 /nfs/dbraw/zinc/51/45/89/786514589.db2.gz DVOJHBZADLZMKX-BXKDBHETSA-N -2 0 325.748 2.038 20 0 EEADRL CC(C)[C@H]1CC[C@H](C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])CC1 ZINC000910192763 786524638 /nfs/dbraw/zinc/52/46/38/786524638.db2.gz UVKQPBLZKFPONT-SYQHCUMBSA-N -2 0 325.405 2.225 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)c(Cl)c1 ZINC000225614116 789869421 /nfs/dbraw/zinc/86/94/21/789869421.db2.gz LMRXWYQUPKOGNF-UHFFFAOYSA-N -2 0 331.733 2.446 20 0 EEADRL Cc1cc(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])c2cc[nH]c2n1 ZINC001148917842 792784444 /nfs/dbraw/zinc/78/44/44/792784444.db2.gz ZYLBXNGEXPDMLX-UHFFFAOYSA-N -2 0 347.352 2.028 20 0 EEADRL O=C([O-])c1cc(Nc2ccc3c(=O)[nH]c(=O)[nH]c3c2)cc(C(=O)[O-])c1 ZINC001176244378 798392999 /nfs/dbraw/zinc/39/29/99/798392999.db2.gz KNUZTJOZSAGEHH-UHFFFAOYSA-N -2 0 341.279 2.181 20 0 EEADRL O=C([O-])c1cc(Nc2cccc3c2C(=O)NCC3)cc(C(=O)[O-])c1 ZINC001176245072 798393072 /nfs/dbraw/zinc/39/30/72/798393072.db2.gz SIUKQPXQZJOUSH-UHFFFAOYSA-N -2 0 326.308 2.113 20 0 EEADRL COc1cccc(O)c1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184696239 802132692 /nfs/dbraw/zinc/13/26/92/802132692.db2.gz DSIHVSVAMFMYIZ-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2O)cc1C(=O)[O-] ZINC001185307602 802452725 /nfs/dbraw/zinc/45/27/25/802452725.db2.gz UXZJUQAJWBIAGI-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL O=C([O-])CC[C@@H]1C[C@H](C(=O)Nc2cc(F)cc(Cl)c2[O-])CO1 ZINC001595003589 951168687 /nfs/dbraw/zinc/16/86/87/951168687.db2.gz FOSHARJNFRGSAZ-IONNQARKSA-N -2 0 331.727 2.393 20 0 EEADRL C[C@]1(C(=O)[O-])CCCN1C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001573645679 959640094 /nfs/dbraw/zinc/64/00/94/959640094.db2.gz JODPLZFMZKWPPX-MRXNPFEDSA-N -2 0 349.774 2.311 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])cc1 ZINC000314182253 963721540 /nfs/dbraw/zinc/72/15/40/963721540.db2.gz XCEPQBSAYBJVDQ-UHFFFAOYSA-N -2 0 325.342 2.404 20 0 EEADRL C[C@@H](O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1F ZINC000795381261 978832624 /nfs/dbraw/zinc/83/26/24/978832624.db2.gz PFHCTYWWARIYGS-SSDOTTSWSA-N -2 0 345.373 2.440 20 0 EEADRL CC[C@](COC)(NC(=O)c1cccc(C(F)(F)F)c1[O-])C(=O)[O-] ZINC001595193943 979894601 /nfs/dbraw/zinc/89/46/01/979894601.db2.gz KRUDXLXPLJAUOI-CYBMUJFWSA-N -2 0 335.278 2.021 20 0 EEADRL CC[C@@H](C(=O)[O-])[S@@](=O)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001594775477 981759071 /nfs/dbraw/zinc/75/90/71/981759071.db2.gz RZBJAGWEWBCQFF-MYODQAERSA-N -2 0 337.353 2.152 20 0 EEADRL CC(=CCl)CS(=O)(=O)C(C)=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C ZINC001588991521 984915375 /nfs/dbraw/zinc/91/53/75/984915375.db2.gz XWGFILMPBIGPPV-BREXMAIKSA-N -2 0 347.820 2.458 20 0 EEADRL CCO[C@H]1C[C@](NC(=O)c2cccc(Cl)c2[O-])(C(=O)[O-])C1(C)C ZINC001596826821 985436039 /nfs/dbraw/zinc/43/60/39/985436039.db2.gz FNIXYZKYKSQTBO-ZBEGNZNMSA-N -2 0 341.791 2.434 20 0 EEADRL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001597032722 986457801 /nfs/dbraw/zinc/45/78/01/986457801.db2.gz QDIZSWPVEVNKTB-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL CCOc1ccc(OCC)c([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1 ZINC001597132983 986861696 /nfs/dbraw/zinc/86/16/96/986861696.db2.gz YXYLIJVTZASQRZ-UHFFFAOYSA-N -2 0 345.417 2.337 20 0 EEADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCC1CCCCCC1 ZINC001589454393 986877987 /nfs/dbraw/zinc/87/79/87/986877987.db2.gz VPOGXZFPKYYRAU-NEPJUHHUSA-N -2 0 333.450 2.292 20 0 EEADRL CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)no1 ZINC001597482690 987981119 /nfs/dbraw/zinc/98/11/19/987981119.db2.gz SWCZUMOHHQHZRF-UHFFFAOYSA-N -2 0 328.321 2.184 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])n1 ZINC001597604878 988484344 /nfs/dbraw/zinc/48/43/44/988484344.db2.gz WXFZFOIQLNURME-QWHCGFSZSA-N -2 0 343.383 2.123 20 0 EEADRL CSc1cccc(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1 ZINC001599824583 988575125 /nfs/dbraw/zinc/57/51/25/988575125.db2.gz FPNYXROSSNJHMJ-JOYOIKCWSA-N -2 0 338.385 2.190 20 0 EEADRL CC(C)(CCNC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)C(=O)[O-] ZINC001590675858 990387299 /nfs/dbraw/zinc/38/72/99/990387299.db2.gz LBPMXYQPGULZPC-LLVKDONJSA-N -2 0 328.409 2.020 20 0 EEADRL CC(C)[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1ccccc1 ZINC001590989470 991198894 /nfs/dbraw/zinc/19/88/94/991198894.db2.gz LUSSTDMJCHVGFL-GFCCVEGCSA-N -2 0 338.385 2.091 20 0 EEADRL CS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC001599762096 992136729 /nfs/dbraw/zinc/13/67/29/992136729.db2.gz JGUHNVAKUJVDFB-CQSZACIVSA-N -2 0 349.364 2.041 20 0 EEADRL CC1(C(=O)[O-])CCN(C(=O)NCCCCCCCC(=O)[O-])CC1 ZINC001593790855 996507259 /nfs/dbraw/zinc/50/72/59/996507259.db2.gz JADNYZXVBVFVNN-UHFFFAOYSA-N -2 0 328.409 2.308 20 0 EEADRL CC1(C(=O)[O-])CN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC001593802698 996529709 /nfs/dbraw/zinc/52/97/09/996529709.db2.gz GOANQACUCYVUEJ-UHFFFAOYSA-N -2 0 348.580 2.355 20 0 EEADRL CC1(CC(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC001593997178 997312512 /nfs/dbraw/zinc/31/25/12/997312512.db2.gz GLRAUGZLWRASSE-UHFFFAOYSA-N -2 0 331.777 2.033 20 0 EEADRL CO[C@@H]1CCC[C@@H]([C@@H](NC(=O)c2cc(F)cc(F)c2[O-])C(=O)[O-])C1 ZINC001599106481 997486741 /nfs/dbraw/zinc/48/67/41/997486741.db2.gz HFWPDINJOYRQIM-ZDSQKVDBSA-N -2 0 343.326 2.059 20 0 EEADRL Cc1[n-]n([C@@H](C)CCc2ccc3c(c2)OCO3)c(=O)c1CC(=O)[O-] ZINC001594115084 998247136 /nfs/dbraw/zinc/24/71/36/998247136.db2.gz YENLTTUQTABGNQ-GWCFXTLKSA-N -2 0 332.356 2.045 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc(C2CC2)cs1 ZINC000055312446 214306535 /nfs/dbraw/zinc/30/65/35/214306535.db2.gz FHQDFCIYEVIKLZ-UHFFFAOYSA-N -2 0 328.371 2.421 20 0 EEADRL Cc1ccc(-c2[n-][nH]c(=NC(=O)N=c3cc(C)c(C)n[n-]3)c2C)o1 ZINC000459402187 245106384 /nfs/dbraw/zinc/10/63/84/245106384.db2.gz NLGQWKFVYQWXSU-UHFFFAOYSA-N -2 0 326.360 2.181 20 0 EEADRL COc1ccc(O)c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC000345680635 161322333 /nfs/dbraw/zinc/32/23/33/161322333.db2.gz HQFJGIJDAZKQHG-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL CC(C)c1ncc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cn1 ZINC000279837607 274551256 /nfs/dbraw/zinc/55/12/56/274551256.db2.gz GKJLDCBRIVIFKQ-UHFFFAOYSA-N -2 0 335.385 2.028 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)cc(C(=O)[O-])c1C ZINC000285081896 274675705 /nfs/dbraw/zinc/67/57/05/274675705.db2.gz MKCDGYKRVLGYAK-UHFFFAOYSA-N -2 0 349.412 2.335 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cc(C3CC3)n(C)n2)ccc1C(=O)[O-] ZINC000290569926 275219047 /nfs/dbraw/zinc/21/90/47/275219047.db2.gz UANUYSFCVUMJNF-UHFFFAOYSA-N -2 0 335.385 2.105 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)nn1C(C)C ZINC000421176399 314060051 /nfs/dbraw/zinc/06/00/51/314060051.db2.gz RXGFLQVAKMDYQE-UHFFFAOYSA-N -2 0 327.362 2.173 20 0 EEADRL Cc1cccc2c1N(S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-])CC2 ZINC000433506665 314779380 /nfs/dbraw/zinc/77/93/80/314779380.db2.gz HKEHEZJPBBKDES-UHFFFAOYSA-N -2 0 333.365 2.150 20 0 EEADRL Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000268344867 463712477 /nfs/dbraw/zinc/71/24/77/463712477.db2.gz ICXMOYBAUNTJKU-UHFFFAOYSA-N -2 0 337.401 2.153 20 0 EEADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)cc1 ZINC000338222220 465914821 /nfs/dbraw/zinc/91/48/21/465914821.db2.gz ZHEHWRFYWMBJMP-UHFFFAOYSA-N -2 0 341.772 2.474 20 0 EEADRL COc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000315661341 466564425 /nfs/dbraw/zinc/56/44/25/466564425.db2.gz XWQOVDLQGDSOLO-UHFFFAOYSA-N -2 0 325.342 2.404 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)c(F)c1 ZINC000320891433 466615592 /nfs/dbraw/zinc/61/55/92/466615592.db2.gz CMCLCNBOULTCGT-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000321825951 466626422 /nfs/dbraw/zinc/62/64/22/466626422.db2.gz FETCNCFSYODQAX-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)cc1F ZINC000323023915 466636025 /nfs/dbraw/zinc/63/60/25/466636025.db2.gz SKEKVEXLFHVPAT-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL CCC(CC)(CNC(=O)N=c1nc(C(C)(C)C)[n-]s1)C(=O)[O-] ZINC000424383585 467036876 /nfs/dbraw/zinc/03/68/76/467036876.db2.gz PXDHMHXSIQYMJN-UHFFFAOYSA-N -2 0 328.438 2.270 20 0 EEADRL CCOc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c1 ZINC000436494900 467540744 /nfs/dbraw/zinc/54/07/44/467540744.db2.gz MNNJIKPMGYMLPE-UHFFFAOYSA-N -2 0 337.353 2.290 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N2CCCC[C@H]2C(=O)[O-])n1 ZINC000569846568 468553028 /nfs/dbraw/zinc/55/30/28/468553028.db2.gz WQNHWHFBUKMCBN-AWEZNQCLSA-N -2 0 343.383 2.220 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N(CC(=O)[O-])C2CCC2)n1 ZINC000656232401 471643737 /nfs/dbraw/zinc/64/37/37/471643737.db2.gz SBEXOSASKFYRNN-UHFFFAOYSA-N -2 0 343.383 2.220 20 0 EEADRL CC1(C(=O)[O-])CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])CC1 ZINC000663058129 472343464 /nfs/dbraw/zinc/34/34/64/472343464.db2.gz QYUPUOFWHMERQT-UHFFFAOYSA-N -2 0 347.346 2.044 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)c(Cl)n1 ZINC000769651683 577581832 /nfs/dbraw/zinc/58/18/32/577581832.db2.gz PZLPBWVQDNQEEN-UHFFFAOYSA-N -2 0 342.760 2.248 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cnn1C ZINC000756809510 577850506 /nfs/dbraw/zinc/85/05/06/577850506.db2.gz UWCPMPQULYCKCR-UHFFFAOYSA-N -2 0 347.755 2.020 20 0 EEADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)CC1=CCCCC1 ZINC000739219325 578044350 /nfs/dbraw/zinc/04/43/50/578044350.db2.gz VASIPSVBVAAEJT-UHFFFAOYSA-N -2 0 329.399 2.142 20 0 EEADRL COc1ccc(S(=O)(=O)Nc2cc(C)[nH]c2C(=O)[O-])cc1Cl ZINC000317302095 600175919 /nfs/dbraw/zinc/17/59/19/600175919.db2.gz HIZHPXXHLWBRAA-UHFFFAOYSA-N -2 0 344.776 2.484 20 0 EEADRL Cc1nn(C)c([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c1C ZINC000833013699 600979154 /nfs/dbraw/zinc/97/91/54/600979154.db2.gz CZQNCWWGXDLRKL-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL COc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)cc1C ZINC000831966560 600983019 /nfs/dbraw/zinc/98/30/19/600983019.db2.gz CCRMKXGQBGPEEL-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL CCOc1ncccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000324763189 601324568 /nfs/dbraw/zinc/32/45/68/601324568.db2.gz AEBLBCXDAGBLBV-JXMROGBWSA-N -2 0 348.380 2.379 20 0 EEADRL Cc1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)s1 ZINC000088545690 601485478 /nfs/dbraw/zinc/48/54/78/601485478.db2.gz SVSBSUFOAABPHB-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL Cc1cc2cccnc2c(S(=O)(=O)[N-]c2csnc2C(=O)[O-])c1 ZINC000832904357 602155981 /nfs/dbraw/zinc/15/59/81/602155981.db2.gz IJQZFPZFLMQOSG-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL CC(C)Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])n[nH]1 ZINC000826909599 602211362 /nfs/dbraw/zinc/21/13/62/602211362.db2.gz GLMLHKLDMWYRDT-UHFFFAOYSA-N -2 0 341.364 2.246 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1nnc(C(F)F)s1 ZINC000832869067 602212608 /nfs/dbraw/zinc/21/26/08/602212608.db2.gz XCDZYJMTVXKRFN-UHFFFAOYSA-N -2 0 349.340 2.283 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cn(C(C)C)cn2)sc1C(=O)[O-] ZINC000833746496 605186496 /nfs/dbraw/zinc/18/64/96/605186496.db2.gz BCJZIFQMKGEQRQ-UHFFFAOYSA-N -2 0 329.403 2.333 20 0 EEADRL COc1ccc(O)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)c1 ZINC000833733726 605239124 /nfs/dbraw/zinc/23/91/24/605239124.db2.gz NNBBCIULIYNTTB-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL Cc1cc(C(=O)[O-])cc(C(=O)[N-]S(=O)(=O)CCC2CCCC2)c1 ZINC000863963305 1197938748 /nfs/dbraw/zinc/93/87/48/1197938748.db2.gz RGMUBTMYXMMZHR-UHFFFAOYSA-N -2 0 339.413 2.333 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cncc(Cl)c2)ccc1F ZINC001186143721 1278968866 /nfs/dbraw/zinc/96/88/66/1278968866.db2.gz RGNKOLWNPOSVLJ-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(F)c2O)ccc1F ZINC001186184224 1278982123 /nfs/dbraw/zinc/98/21/23/1278982123.db2.gz PYCVGOQKXQJJQT-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL CC[C@H](C)C[C@H](C)NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189932557 1280583033 /nfs/dbraw/zinc/58/30/33/1280583033.db2.gz DBZUBAZZQFQXTB-UWVGGRQHSA-N -2 0 343.401 2.186 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2ncc(F)cc2F)ccc1[S-] ZINC001190194392 1280733679 /nfs/dbraw/zinc/73/36/79/1280733679.db2.gz MBNKJUMRQMVVPL-UHFFFAOYSA-N -2 0 332.353 2.458 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnsc2)c(Cl)cc1F ZINC001193975541 1282800945 /nfs/dbraw/zinc/80/09/45/1282800945.db2.gz XTPXNBKFYDZMOD-UHFFFAOYSA-N -2 0 336.753 2.435 20 0 EEADRL Cc1ncn(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001193974989 1282801940 /nfs/dbraw/zinc/80/19/40/1282801940.db2.gz QIECUTXRRAOAGO-UHFFFAOYSA-N -2 0 347.755 2.020 20 0 EEADRL Cc1ccnc(-c2noc(-c3cc(S(=O)(=O)[O-])ccc3[O-])n2)c1 ZINC001215454111 1296909271 /nfs/dbraw/zinc/90/92/71/1296909271.db2.gz JDDITTGHCLAEBA-UHFFFAOYSA-N -2 0 333.325 2.059 20 0 EEADRL CCc1cccnc1-c1noc(-c2cc(S(=O)(=O)[O-])ccc2[O-])n1 ZINC001215456322 1296910018 /nfs/dbraw/zinc/91/00/18/1296910018.db2.gz RQRWRDPMNKOODD-UHFFFAOYSA-N -2 0 347.352 2.313 20 0 EEADRL CN(C)C(=S)Oc1cccnc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242160261 1309622547 /nfs/dbraw/zinc/62/25/47/1309622547.db2.gz IQWXTBYMTNCQJR-UHFFFAOYSA-N -2 0 346.364 2.370 20 0 EEADRL CCOC(=O)c1cnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(OC)c1 ZINC001242159305 1309622733 /nfs/dbraw/zinc/62/27/33/1309622733.db2.gz LOXQJNTZYXCJES-UHFFFAOYSA-N -2 0 345.307 2.330 20 0 EEADRL C[C@@H]1Oc2ccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)cc2NC1=O ZINC001242161496 1309623725 /nfs/dbraw/zinc/62/37/25/1309623725.db2.gz XOGRJNKXUTXTTQ-QMMMGPOBSA-N -2 0 327.292 2.469 20 0 EEADRL COc1cc(Cl)cnc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260222382 1319836619 /nfs/dbraw/zinc/83/66/19/1319836619.db2.gz ZEISXIBYNFHURL-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL O=P([O-])([O-])OCCNc1c(Cl)nc(Cl)nc1C1CC1 ZINC001157795903 1318867665 /nfs/dbraw/zinc/86/76/65/1318867665.db2.gz XADPZONNTQPDSA-UHFFFAOYSA-N -2 0 328.092 2.182 20 0 EEADRL Cc1cn2c(cccc2[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n1 ZINC001260182601 1319816673 /nfs/dbraw/zinc/81/66/73/1319816673.db2.gz JLRBIGOBERZANQ-UHFFFAOYSA-N -2 0 331.353 2.142 20 0 EEADRL Cn1cnc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)c21 ZINC001260216176 1319833612 /nfs/dbraw/zinc/83/36/12/1319833612.db2.gz VMQOKEVHTLXDLR-UHFFFAOYSA-N -2 0 349.343 2.211 20 0 EEADRL Cc1ccc(CO)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC001260216336 1319834526 /nfs/dbraw/zinc/83/45/26/1319834526.db2.gz CVFOBJUQLNPATN-UHFFFAOYSA-N -2 0 339.344 2.125 20 0 EEADRL Cc1ccc([C@H]([N-]S(=O)(=O)C2(C(=O)[O-])CCC2)C(F)(F)F)o1 ZINC001600383828 1350036445 /nfs/dbraw/zinc/03/64/45/1350036445.db2.gz ADRGIIFSLSTFNN-VIFPVBQESA-N -2 0 341.307 2.118 20 0 EEADRL O=C([O-])CCCCC(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC001608710403 1351746370 /nfs/dbraw/zinc/74/63/70/1351746370.db2.gz NHUABZGAHAURSH-UHFFFAOYSA-N -2 0 337.357 2.420 20 0 EEADRL O=C([O-])CCOc1ccc(NC(=O)c2cnc(C3CC3)[nH]c2=O)cc1 ZINC001608731339 1351751358 /nfs/dbraw/zinc/75/13/58/1351751358.db2.gz NDNWZONEHXPSLW-UHFFFAOYSA-N -2 0 343.339 2.165 20 0 EEADRL O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001608771057 1351759457 /nfs/dbraw/zinc/75/94/57/1351759457.db2.gz OFAJBQFAXKQNCT-TUKIKUTGSA-N -2 0 346.383 2.023 20 0 EEADRL O=C([O-])[C@@H]1CN(C(=O)c2c(O)cccc2O)C[C@@H]1c1ccccc1 ZINC001608807932 1351768246 /nfs/dbraw/zinc/76/82/46/1351768246.db2.gz ZHANDEJTODPTKB-CHWSQXEVSA-N -2 0 327.336 2.038 20 0 EEADRL C/C(=C\C(C)(C)C)C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001609497950 1351999471 /nfs/dbraw/zinc/99/94/71/1351999471.db2.gz PSOOHWJBURVIRB-PKNBQFBNSA-N -2 0 339.413 2.323 20 0 EEADRL CCC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-] ZINC001609956282 1352129198 /nfs/dbraw/zinc/12/91/98/1352129198.db2.gz QNBIRCNWJCEBSY-YPMHNXCESA-N -2 0 333.450 2.292 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)cnc1Cl ZINC001610474761 1352228712 /nfs/dbraw/zinc/22/87/12/1352228712.db2.gz ZVKOUIPLMZNELJ-UHFFFAOYSA-N -2 0 341.776 2.246 20 0 EEADRL Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001610556604 1352244168 /nfs/dbraw/zinc/24/41/68/1352244168.db2.gz PSNFZOCERSFFNA-UHFFFAOYSA-N -2 0 341.776 2.246 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCCC[C@H]1C ZINC001610581328 1352248748 /nfs/dbraw/zinc/24/87/48/1352248748.db2.gz JZCVDROXPFJHBM-KOLCDFICSA-N -2 0 343.401 2.308 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)C[C@H]1CCCC[C@H]1C ZINC001610581330 1352248816 /nfs/dbraw/zinc/24/88/16/1352248816.db2.gz JZCVDROXPFJHBM-MWLCHTKSSA-N -2 0 343.401 2.308 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC001610581954 1352248839 /nfs/dbraw/zinc/24/88/39/1352248839.db2.gz XIIKKNIULMPIFM-MWLCHTKSSA-N -2 0 343.401 2.308 20 0 EEADRL Cc1c(NC(=O)NC[C@@H](C(=O)[O-])C(C)C)ccc(F)c1C(=O)[O-] ZINC001600040884 1349960134 /nfs/dbraw/zinc/96/01/34/1349960134.db2.gz WAASOZXEEBAZOL-SECBINFHSA-N -2 0 326.324 2.311 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1n[nH]c2ccc(F)cc21 ZINC001600837175 1350148247 /nfs/dbraw/zinc/14/82/47/1350148247.db2.gz FVDONPPNMSGJDO-UHFFFAOYSA-N -2 0 339.304 2.102 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2nnc(CC(C)C)s2)cc1C(=O)[O-] ZINC001600856853 1350153291 /nfs/dbraw/zinc/15/32/91/1350153291.db2.gz QPSSGYIBVWOOEA-UHFFFAOYSA-N -2 0 345.402 2.137 20 0 EEADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)/C=C\c2ccccc2)c1 ZINC001601239973 1350239580 /nfs/dbraw/zinc/23/95/80/1350239580.db2.gz MPJPDPLJLXLQTJ-KTKRTIGZSA-N -2 0 345.376 2.044 20 0 EEADRL O=C([O-])C1CC2(C1)CN(C(=O)[C@@H]1CCCC[C@H]1C1CC1)C[C@H]2C(=O)[O-] ZINC001601778971 1350362534 /nfs/dbraw/zinc/36/25/34/1350362534.db2.gz FZIIGAKHPGQXJS-OQOOGJFESA-N -2 0 349.427 2.227 20 0 EEADRL O=C([O-])[C@H]1CN(C(=O)c2c([O-])cc(F)cc2F)Cc2ccccc21 ZINC001601846093 1350379559 /nfs/dbraw/zinc/37/95/59/1350379559.db2.gz WLKMGHPYJMENKU-LBPRGKRZSA-N -2 0 333.290 2.495 20 0 EEADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccccc2Cl)n1 ZINC001602140459 1350449178 /nfs/dbraw/zinc/44/91/78/1350449178.db2.gz AKBPAHCMZUVCRW-UHFFFAOYSA-N -2 0 326.761 2.163 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc3c(cn2)CCC3)ccc1F ZINC001602297355 1350487641 /nfs/dbraw/zinc/48/76/41/1350487641.db2.gz LHNBNQQWKWGMAF-UHFFFAOYSA-N -2 0 336.344 2.208 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cncc3c2CCCC3)cc1 ZINC001602402192 1350511024 /nfs/dbraw/zinc/51/10/24/1350511024.db2.gz MHBMIJWNAOHTJL-UHFFFAOYSA-N -2 0 332.381 2.459 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)c2sccc2Cl)c1 ZINC001602452109 1350522308 /nfs/dbraw/zinc/52/23/08/1350522308.db2.gz XPHLYKRPJGKTKJ-UHFFFAOYSA-N -2 0 345.785 2.218 20 0 EEADRL O=C([O-])c1cncc([N-]S(=O)(=O)c2cccc3c2CCCC3)c1 ZINC001602541190 1350542182 /nfs/dbraw/zinc/54/21/82/1350542182.db2.gz FTPDYSADQDUGOC-UHFFFAOYSA-N -2 0 332.381 2.459 20 0 EEADRL CC(C)n1cnc(S(=O)(=O)[N-]c2ncc(C(=O)[O-])cc2Cl)c1 ZINC001604040756 1350837480 /nfs/dbraw/zinc/83/74/80/1350837480.db2.gz ATKUBGSBIOIZSM-UHFFFAOYSA-N -2 0 344.780 2.011 20 0 EEADRL CCc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)cc1CC ZINC001604524829 1350954966 /nfs/dbraw/zinc/95/49/66/1350954966.db2.gz KKXRFTSRVPIAPA-UHFFFAOYSA-N -2 0 347.400 2.385 20 0 EEADRL CCc1nc(C)c([N-]S(=O)(=O)CC2(C(=O)[O-])CCCC2)s1 ZINC001605848762 1351236167 /nfs/dbraw/zinc/23/61/67/1351236167.db2.gz NVVDFPRBIXAAPN-UHFFFAOYSA-N -2 0 332.447 2.401 20 0 EEADRL COCc1cccc(S(=O)(=O)[N-]c2cc(C)c(C(=O)[O-])cn2)c1 ZINC001606965510 1351386477 /nfs/dbraw/zinc/38/64/77/1351386477.db2.gz FVZBOUOXSQUFHI-UHFFFAOYSA-N -2 0 336.369 2.035 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cc3[nH]ccc3c(C(=O)[O-])c2)cn1 ZINC001607289777 1351465551 /nfs/dbraw/zinc/46/55/51/1351465551.db2.gz UWXVMAQLQHSBSM-UHFFFAOYSA-N -2 0 347.352 2.071 20 0 EEADRL COc1ccc2c(c1)-c1[n-]n(-c3ccc(CC(=O)[O-])cc3)c(=O)c1C2 ZINC001607294022 1351466526 /nfs/dbraw/zinc/46/65/26/1351466526.db2.gz BJVHBDSKRCPFEQ-MRXNPFEDSA-N -2 0 336.347 2.246 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC001607595406 1351521312 /nfs/dbraw/zinc/52/13/12/1351521312.db2.gz JNALFEZPMJJSRA-UHFFFAOYSA-N -2 0 332.278 2.089 20 0 EEADRL Cc1ccnc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1C1CC1 ZINC001607895481 1351581113 /nfs/dbraw/zinc/58/11/13/1351581113.db2.gz RHGJHDYFPLRBGY-UHFFFAOYSA-N -2 0 335.385 2.105 20 0 EEADRL Cc1csc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc2c1OCO2 ZINC001607923568 1351586593 /nfs/dbraw/zinc/58/65/93/1351586593.db2.gz PGFJZEJTKAUQQA-UHFFFAOYSA-N -2 0 341.366 2.284 20 0 EEADRL CCOc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)cc(Cl)c1O ZINC000909799963 786236407 /nfs/dbraw/zinc/23/64/07/786236407.db2.gz QGCGQBFHRUNRPI-WPRPVWTQSA-N -2 0 327.764 2.380 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)n1 ZINC000909804811 786263168 /nfs/dbraw/zinc/26/31/68/786263168.db2.gz JWSYGYKZDNAMDN-AAEUAGOBSA-N -2 0 343.383 2.076 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CC(C1CCC1)C1CCC1 ZINC000910180984 786513371 /nfs/dbraw/zinc/51/33/71/786513371.db2.gz BBZVTHHOYVLJDI-DZGCQCFKSA-N -2 0 337.416 2.369 20 0 EEADRL Cc1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])ccc1Cl ZINC000910185231 786517796 /nfs/dbraw/zinc/51/77/96/786517796.db2.gz VSXYYLGJOTXYNC-PWSUYJOCSA-N -2 0 325.748 2.038 20 0 EEADRL CC[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000844784129 789372016 /nfs/dbraw/zinc/37/20/16/789372016.db2.gz GWGFLJBMEJCHNU-LURJTMIESA-N -2 0 327.736 2.007 20 0 EEADRL N=C([N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-])c1ccc2ccccc2n1 ZINC001180176573 800285984 /nfs/dbraw/zinc/28/59/84/800285984.db2.gz HIJQEIGKQMFHOF-UHFFFAOYSA-N -2 0 343.236 2.032 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cn(CC(C)C)cn2)cc1C(=O)[O-] ZINC001184670422 802104789 /nfs/dbraw/zinc/10/47/89/802104789.db2.gz OMKAQCSPNSVAAG-UHFFFAOYSA-N -2 0 337.401 2.347 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nnc(C3CC3)o2)cc1Cl ZINC000389151163 972209921 /nfs/dbraw/zinc/20/99/21/972209921.db2.gz VBIMJHSHOCHJRD-UHFFFAOYSA-N -2 0 343.748 2.099 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cccc2c[nH]nc21 ZINC000389237574 972214115 /nfs/dbraw/zinc/21/41/15/972214115.db2.gz CLUYNGZLNHTSSJ-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000391017614 972312564 /nfs/dbraw/zinc/31/25/64/972312564.db2.gz WKSLQHJYAGVNEA-KJNMHVQDSA-N -2 0 329.274 2.135 20 0 EEADRL CC(C)[C@@H](NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])C(=O)[O-] ZINC001588950081 962566020 /nfs/dbraw/zinc/56/60/20/962566020.db2.gz ANOLBIVUDHHZLD-OAHLLOKOSA-N -2 0 331.324 2.304 20 0 EEADRL O=C([O-])Cc1csc(NC(=O)c2cc(=O)c3ccccc3[n-]2)n1 ZINC000319885845 970585332 /nfs/dbraw/zinc/58/53/32/970585332.db2.gz AIPIXWDTMVTCPB-UHFFFAOYSA-N -2 0 329.337 2.276 20 0 EEADRL CC(C)n1ccc([N-]S(=O)(=O)C[C@H](C(=O)[O-])c2ccccc2)n1 ZINC001592142887 976992480 /nfs/dbraw/zinc/99/24/80/976992480.db2.gz SGVOQGBTOQPNSR-ZDUSSCGKSA-N -2 0 337.401 2.074 20 0 EEADRL C[C@@H](CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])C1CCCCC1 ZINC001592258368 977495724 /nfs/dbraw/zinc/49/57/24/977495724.db2.gz DDEUKZVJCVXQHX-NSHDSACASA-N -2 0 333.450 2.150 20 0 EEADRL CCC/C(C)=C/C(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001595565189 981454719 /nfs/dbraw/zinc/45/47/19/981454719.db2.gz DPABSDSQJHCBHJ-BQYQJAHWSA-N -2 0 347.339 2.214 20 0 EEADRL CCC[C@H](NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])C(=O)[O-] ZINC001596020217 983282898 /nfs/dbraw/zinc/28/28/98/983282898.db2.gz HDJFTWUNKRCXTG-ZDUSSCGKSA-N -2 0 331.324 2.448 20 0 EEADRL CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2CC)n1 ZINC001597161327 986967008 /nfs/dbraw/zinc/96/70/08/986967008.db2.gz BYXBFZQABOBBNL-UHFFFAOYSA-N -2 0 340.357 2.135 20 0 EEADRL C[C@@H](C(=O)[O-])[S@](=O)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001589492052 987061511 /nfs/dbraw/zinc/06/15/11/987061511.db2.gz QHVWJEABBPHNOI-QSIZCVBASA-N -2 0 339.394 2.230 20 0 EEADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2c[nH]nc2Cl)cc1 ZINC001589640794 987563136 /nfs/dbraw/zinc/56/31/36/987563136.db2.gz FWQVFODQLGLPKW-UHFFFAOYSA-N -2 0 343.792 2.226 20 0 EEADRL CCc1cnc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)o1 ZINC001597631671 988598902 /nfs/dbraw/zinc/59/89/02/988598902.db2.gz DWFLZRHPTKZZFE-UHFFFAOYSA-N -2 0 336.369 2.154 20 0 EEADRL CCc1nc(OC)ccc1[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001597687213 988853619 /nfs/dbraw/zinc/85/36/19/988853619.db2.gz ZGILCDGKMIFAEU-UHFFFAOYSA-N -2 0 342.398 2.213 20 0 EEADRL CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001591057469 991467359 /nfs/dbraw/zinc/46/73/59/991467359.db2.gz FRJGDRSXKQIPNB-GLEZIHRCSA-N -2 0 327.283 2.348 20 0 EEADRL COc1ccnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c1 ZINC001599722468 991563200 /nfs/dbraw/zinc/56/32/00/991563200.db2.gz JREHUHOPXSVPER-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL CN(CCC(=O)[O-])C(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001598469582 992004365 /nfs/dbraw/zinc/00/43/65/992004365.db2.gz MCQJSEMYZDAPCH-NSHDSACASA-N -2 0 348.277 2.104 20 0 EEADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC001593865095 996670901 /nfs/dbraw/zinc/67/09/01/996670901.db2.gz NNAQDVZCJIUDTM-GOSISDBHSA-N -2 0 349.383 2.047 20 0 EEADRL COc1cc(C)c([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1C ZINC001599392742 997068528 /nfs/dbraw/zinc/06/85/28/997068528.db2.gz YSZYSFREEKMBIQ-UHFFFAOYSA-N -2 0 342.398 2.268 20 0 EEADRL COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC001599003111 998835253 /nfs/dbraw/zinc/83/52/53/998835253.db2.gz WGRKPFODLUMHLW-UHFFFAOYSA-N -2 0 349.364 2.281 20 0 EEADRL C[C@@H]1CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C[C@@H]1C(=O)[O-] ZINC001594406381 999521677 /nfs/dbraw/zinc/52/16/77/999521677.db2.gz WVHVNQFRCGKITM-KAOXEZKKSA-N -2 0 346.383 2.449 20 0 EEADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1sc2cc(F)ccc2c1Cl ZINC001450469567 1094745410 /nfs/dbraw/zinc/74/54/10/1094745410.db2.gz LOJVSJYOMUVGFD-UHFFFAOYSA-N -2 0 328.712 2.080 20 0 EEADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000120317883 142384697 /nfs/dbraw/zinc/38/46/97/142384697.db2.gz ZFFKMTSDIVGIAJ-UHFFFAOYSA-N -2 0 349.290 2.236 20 0 EEADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000193465627 160181907 /nfs/dbraw/zinc/18/19/07/160181907.db2.gz UTMYCNAPBBMRFF-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2)cs1 ZINC000341659114 161003607 /nfs/dbraw/zinc/00/36/07/161003607.db2.gz PERYXWLJTJYHDV-UHFFFAOYSA-N -2 0 349.393 2.433 20 0 EEADRL COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000360500116 164324039 /nfs/dbraw/zinc/32/40/39/164324039.db2.gz JUHHIVGJIAJHKG-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL C[C@H]1CCCc2nc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3)cn21 ZINC000416408656 313214879 /nfs/dbraw/zinc/21/48/79/313214879.db2.gz RFEXCBOAHKNPQL-JTQLQIEISA-N -2 0 335.385 2.279 20 0 EEADRL CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000436880701 315008619 /nfs/dbraw/zinc/00/86/19/315008619.db2.gz PLWXQQOGUJZFQX-UHFFFAOYSA-N -2 0 341.366 2.155 20 0 EEADRL CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000436880268 315008976 /nfs/dbraw/zinc/00/89/76/315008976.db2.gz MNXFMLHPLHRSEN-UHFFFAOYSA-N -2 0 349.364 2.402 20 0 EEADRL CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000437000989 315022042 /nfs/dbraw/zinc/02/20/42/315022042.db2.gz JGMUSQILSDWXPH-UHFFFAOYSA-N -2 0 349.364 2.023 20 0 EEADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-]CC1(CC(=O)[O-])CCCCC1 ZINC000547910695 318333345 /nfs/dbraw/zinc/33/33/45/318333345.db2.gz BTLSMVLWPGIESO-SECBINFHSA-N -2 0 331.356 2.282 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC000566738067 319316344 /nfs/dbraw/zinc/31/63/44/319316344.db2.gz SKFLSIKNXZQYTH-UHFFFAOYSA-N -2 0 343.383 2.077 20 0 EEADRL O=C([O-])[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1sccc1Cl ZINC000571856751 319792536 /nfs/dbraw/zinc/79/25/36/319792536.db2.gz HSKQJGMFFSOMTI-YFKPBYRVSA-N -2 0 337.728 2.085 20 0 EEADRL CC(C)c1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cn1 ZINC000358490786 465155641 /nfs/dbraw/zinc/15/56/41/465155641.db2.gz IHIDCDUDSYNONX-UHFFFAOYSA-N -2 0 339.348 2.238 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)sc1C(=O)[O-] ZINC000045774873 462617347 /nfs/dbraw/zinc/61/73/47/462617347.db2.gz MVUBBCOSYNATGV-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cnn1CCC(C)C ZINC000137794958 463300939 /nfs/dbraw/zinc/30/09/39/463300939.db2.gz CRFGPWQAOSYWKD-UHFFFAOYSA-N -2 0 340.405 2.065 20 0 EEADRL CC(=O)c1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000070156362 463374081 /nfs/dbraw/zinc/37/40/81/463374081.db2.gz WWRNKMJNCQFRCM-UHFFFAOYSA-N -2 0 325.367 2.450 20 0 EEADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccnc1OC ZINC000042794476 463597885 /nfs/dbraw/zinc/59/78/85/463597885.db2.gz DOAQMHIXHXSUKO-UHFFFAOYSA-N -2 0 336.369 2.152 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)cnn1C ZINC000362429229 465730433 /nfs/dbraw/zinc/73/04/33/465730433.db2.gz GPQJWBOYPKMXCK-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL COc1ncccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000338124097 465834118 /nfs/dbraw/zinc/83/41/18/465834118.db2.gz KDNDEEIHRHRUSG-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000315384618 466561234 /nfs/dbraw/zinc/56/12/34/466561234.db2.gz DXBNCATXXCGDPS-UHFFFAOYSA-N -2 0 328.321 2.052 20 0 EEADRL COCCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000317883668 466582756 /nfs/dbraw/zinc/58/27/56/466582756.db2.gz IFCIXSVIHNYGNQ-UHFFFAOYSA-N -2 0 341.410 2.436 20 0 EEADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)c1 ZINC000319557236 466596589 /nfs/dbraw/zinc/59/65/89/466596589.db2.gz FJLNAPRSSZIFPD-UHFFFAOYSA-N -2 0 349.393 2.433 20 0 EEADRL O=C([O-])c1cc([N-]S(=O)(=O)c2c[nH]c3ncccc23)ccc1F ZINC000320355988 466607465 /nfs/dbraw/zinc/60/74/65/466607465.db2.gz LXLNHYYZFMDXMW-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1OC ZINC000320598937 466611640 /nfs/dbraw/zinc/61/16/40/466611640.db2.gz CZORJIQOYRPUTO-UHFFFAOYSA-N -2 0 341.341 2.104 20 0 EEADRL COc1ccc(O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000350826151 466617094 /nfs/dbraw/zinc/61/70/94/466617094.db2.gz BLKBBZQSWMCOOQ-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL C[C@@H](NC(=O)N=c1[n-]nc(C(F)F)s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653537502 471657102 /nfs/dbraw/zinc/65/71/02/471657102.db2.gz XZRWSIQGLXCZIZ-DSYKOEDSSA-N -2 0 348.375 2.155 20 0 EEADRL Cc1cc(C)c([N-]S(=O)(=O)c2ncn(C)c2Cl)c(C(=O)[O-])c1 ZINC000726155316 576241627 /nfs/dbraw/zinc/24/16/27/576241627.db2.gz LKKNVFLQFFPUNP-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL Cc1cccc([C@@H](CC(=O)[O-])[N-]S(=O)(=O)[C@@H](C)C(F)(F)F)c1 ZINC000776472063 577460469 /nfs/dbraw/zinc/46/04/69/577460469.db2.gz BEGIWYCMAHABTN-GXSJLCMTSA-N -2 0 339.335 2.381 20 0 EEADRL CCc1onc(C)c1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000759109973 577637285 /nfs/dbraw/zinc/63/72/85/577637285.db2.gz UIGXZNOHFWOZMY-UHFFFAOYSA-N -2 0 328.321 2.184 20 0 EEADRL Cc1cccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1C(=O)[O-] ZINC000738736703 578025383 /nfs/dbraw/zinc/02/53/83/578025383.db2.gz SFERKMBYTMUSIK-UHFFFAOYSA-N -3 0 341.366 2.254 20 0 EEADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)C2CCCCCC2)cc1 ZINC000740135940 578082366 /nfs/dbraw/zinc/08/23/66/578082366.db2.gz KRMGJPSNHVVNBK-UHFFFAOYSA-N -2 0 339.413 2.301 20 0 EEADRL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cc1 ZINC000736722773 578220196 /nfs/dbraw/zinc/22/01/96/578220196.db2.gz DQQSRAOJWXTRMR-LLVKDONJSA-N -2 0 333.365 2.206 20 0 EEADRL O=C([O-])C[C@H]1CCCN(C(=O)c2cccc(Br)c2[O-])C1 ZINC000819370632 597115702 /nfs/dbraw/zinc/11/57/02/597115702.db2.gz COGLBRXHGHYJPZ-SECBINFHSA-N -2 0 342.189 2.482 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2ccc3nccnc3c2)cc1C(=O)[O-] ZINC000833030021 601232363 /nfs/dbraw/zinc/23/23/63/601232363.db2.gz QCQSGIINQIEOLG-UHFFFAOYSA-N -2 0 333.325 2.030 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c(C)s1 ZINC000832902785 601237740 /nfs/dbraw/zinc/23/77/40/601237740.db2.gz IIIHXFCHGABXQW-MNOVXSKESA-N -2 0 345.442 2.061 20 0 EEADRL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000827948304 601239856 /nfs/dbraw/zinc/23/98/56/601239856.db2.gz COOVFPZLOSDHRF-BNOWGMLFSA-N -2 0 339.413 2.085 20 0 EEADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@](C)(C(=O)[O-])C2CC2)n1 ZINC000832890143 601289060 /nfs/dbraw/zinc/28/90/60/601289060.db2.gz QFISKGVHYZROOL-KRWDZBQOSA-N -2 0 347.346 2.009 20 0 EEADRL CCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)n1 ZINC000830104576 601362518 /nfs/dbraw/zinc/36/25/18/601362518.db2.gz ISRHFBIGSJRXKL-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL CC1(C)Cc2cc(S(=O)(=O)[N-]c3cc(C(=O)[O-])ccn3)ccc2O1 ZINC000828081996 601794891 /nfs/dbraw/zinc/79/48/91/601794891.db2.gz HZYXLDXWGVKRMK-UHFFFAOYSA-N -2 0 348.380 2.294 20 0 EEADRL CC(C)CC(C)(C)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000826759820 601843073 /nfs/dbraw/zinc/84/30/73/601843073.db2.gz QMFSRHRCFVGZHC-UHFFFAOYSA-N -2 0 333.431 2.324 20 0 EEADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cnc3ccccc3n2)c1 ZINC000833344437 601848183 /nfs/dbraw/zinc/84/81/83/601848183.db2.gz RPFGUCDGPSRVOZ-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(C)C)[nH]n1 ZINC000322388929 601850706 /nfs/dbraw/zinc/85/07/06/601850706.db2.gz LUVGVVSJXUBASM-UHFFFAOYSA-N -2 0 339.373 2.041 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)n[nH]c1C1CC1 ZINC000832853664 602103971 /nfs/dbraw/zinc/10/39/71/602103971.db2.gz RJGSAELGIVUKQD-UHFFFAOYSA-N -2 0 335.385 2.023 20 0 EEADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000833346700 602157717 /nfs/dbraw/zinc/15/77/17/602157717.db2.gz NRBYGUDXVJQACP-UHFFFAOYSA-N -2 0 338.288 2.059 20 0 EEADRL O=C([O-])CCc1csc([N-]S(=O)(=O)Cc2cccc(F)c2)n1 ZINC000833243255 604625051 /nfs/dbraw/zinc/62/50/51/604625051.db2.gz FHRSEIRVCMDNEQ-UHFFFAOYSA-N -2 0 344.389 2.241 20 0 EEADRL O=C([O-])CCc1csc([N-]S(=O)(=O)c2cccc(F)c2)n1 ZINC000833244138 604626024 /nfs/dbraw/zinc/62/60/24/604626024.db2.gz SQGZEXPTFMAVMH-UHFFFAOYSA-N -2 0 330.362 2.100 20 0 EEADRL Cc1cnc(N)c(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000833754219 605007070 /nfs/dbraw/zinc/00/70/70/605007070.db2.gz SCZFPJIKRHWNDH-UHFFFAOYSA-N -2 0 340.336 2.002 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)NCc2ccsc2)c(F)cc1F ZINC000184909334 684433708 /nfs/dbraw/zinc/43/37/08/684433708.db2.gz GMDSNQRAYGFZQW-UHFFFAOYSA-N -2 0 333.337 2.203 20 0 EEADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](CC1CCCCC1)C(=O)[O-] ZINC000800920539 1234810643 /nfs/dbraw/zinc/81/06/43/1234810643.db2.gz MZRGSPVHCFNMBS-PSASIEDQSA-N -2 0 331.356 2.280 20 0 EEADRL CCOc1cncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC001185878173 1278844655 /nfs/dbraw/zinc/84/46/55/1278844655.db2.gz ZNXLLFGKAZTINW-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2snnc21 ZINC001185913822 1278865702 /nfs/dbraw/zinc/86/57/02/1278865702.db2.gz DWAAELCCKYJKQA-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL Cc1[nH][nH]c(=O)c1CCNC(=O)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188588215 1279941981 /nfs/dbraw/zinc/94/19/81/1279941981.db2.gz IYTWGRLHCQICDF-UHFFFAOYSA-N -2 0 329.278 2.121 20 0 EEADRL O=C(Nc1cccn2nccc12)c1ccccc1OP(=O)([O-])[O-] ZINC001189873059 1280531690 /nfs/dbraw/zinc/53/16/90/1280531690.db2.gz ZNWUMSGZXCKLDY-UHFFFAOYSA-N -2 0 333.240 2.058 20 0 EEADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc3[nH+]ccn3c2)cc1 ZINC001192107253 1281801107 /nfs/dbraw/zinc/80/11/07/1281801107.db2.gz ZXSLUJHQRWRBFF-UHFFFAOYSA-N -2 0 345.380 2.152 20 0 EEADRL Cc1cccnc1-c1noc(-c2cc(S(=O)(=O)[O-])ccc2[O-])n1 ZINC001215453981 1296909647 /nfs/dbraw/zinc/90/96/47/1296909647.db2.gz BZVHABJGJROTLZ-UHFFFAOYSA-N -2 0 333.325 2.059 20 0 EEADRL CN(C)S(=O)(=O)c1cccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c1 ZINC001239223749 1309060369 /nfs/dbraw/zinc/06/03/69/1309060369.db2.gz VMUWVKAKBRQUKB-UHFFFAOYSA-N -2 0 349.364 2.000 20 0 EEADRL COC(=O)c1cc2c(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)[nH]ccc-2n1 ZINC001242159948 1309622838 /nfs/dbraw/zinc/62/28/38/1309622838.db2.gz YNHDJBMNFARURS-UHFFFAOYSA-N -2 0 340.291 2.413 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ncccc2N2CCCC2)cc1 ZINC001260223537 1319837441 /nfs/dbraw/zinc/83/74/41/1319837441.db2.gz SWEUFAKHLFTOQT-UHFFFAOYSA-N -2 0 347.396 2.181 20 0 EEADRL O=S(=O)([O-])c1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1 ZINC001256312429 1318706594 /nfs/dbraw/zinc/70/65/94/1318706594.db2.gz ZILBFILCPVECDV-UHFFFAOYSA-N -2 0 347.801 2.388 20 0 EEADRL CN(C)C(=O)c1cccc([N-]S(=O)(=O)CCc2ccccc2)c1[O-] ZINC001259738517 1319655727 /nfs/dbraw/zinc/65/57/27/1319655727.db2.gz DQXZSIPGGNJKJO-UHFFFAOYSA-N -2 0 348.424 2.078 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cn(CC3CCC3)cn2)c1 ZINC001260184547 1319818025 /nfs/dbraw/zinc/81/80/25/1319818025.db2.gz QEUBCHWPXNTKHC-UHFFFAOYSA-N -2 0 335.385 2.182 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc3nnsc32)c1 ZINC001260190525 1319821835 /nfs/dbraw/zinc/82/18/35/1319821835.db2.gz QEUYUUZBLAXEBY-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL CCOc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)ccn1 ZINC001260209396 1319832842 /nfs/dbraw/zinc/83/28/42/1319832842.db2.gz COQFSQFUGFMWNH-UHFFFAOYSA-N -2 0 340.332 2.118 20 0 EEADRL Cn1ncc2c1cccc2[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260215278 1319833717 /nfs/dbraw/zinc/83/37/17/1319833717.db2.gz RIDDDBGTFOLRGQ-UHFFFAOYSA-N -2 0 349.343 2.211 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cccc(F)c2O)c1 ZINC001260215027 1319833831 /nfs/dbraw/zinc/83/38/31/1319833831.db2.gz FLGHXJFUBGRDKD-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cccc3c2CCC3=O)c1 ZINC001260215369 1319834558 /nfs/dbraw/zinc/83/45/58/1319834558.db2.gz ZEBUSGCIRPWQKI-UHFFFAOYSA-N -2 0 349.339 2.454 20 0 EEADRL Cc1cc2c(ncnc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)s1 ZINC001260220755 1319835597 /nfs/dbraw/zinc/83/55/97/1319835597.db2.gz LTCSGHQMGKNJND-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL Cc1cccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1C#N ZINC000391141103 1322830038 /nfs/dbraw/zinc/83/00/38/1322830038.db2.gz PBWJCPUMMGBAQU-UHFFFAOYSA-N -2 0 332.337 2.071 20 0 EEADRL Cc1cc(=O)n(-c2ccc(-c3cc(F)c(F)c(C(=O)[O-])c3)nn2)[n-]1 ZINC001206016457 1323368944 /nfs/dbraw/zinc/36/89/44/1323368944.db2.gz JUHSEPMFZXTASC-UHFFFAOYSA-N -2 0 332.266 2.233 20 0 EEADRL CCc1cnc([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)s1 ZINC001605839971 1351233151 /nfs/dbraw/zinc/23/31/51/1351233151.db2.gz NMJLWACBZMNTSF-UHFFFAOYSA-N -2 0 326.399 2.346 20 0 EEADRL O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC001608653110 1351734401 /nfs/dbraw/zinc/73/44/01/1351734401.db2.gz ADRQISMMZPNXSJ-CQSZACIVSA-N -2 0 333.290 2.322 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)cn1 ZINC001608905171 1351791121 /nfs/dbraw/zinc/79/11/21/1351791121.db2.gz DLBMDGPNQNBEJK-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL O=C([O-])c1cnc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)cn1 ZINC001608978216 1351806504 /nfs/dbraw/zinc/80/65/04/1351806504.db2.gz HUCXPEHKLLBIQR-AATRIKPKSA-N -2 0 339.760 2.241 20 0 EEADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC001609639059 1352047981 /nfs/dbraw/zinc/04/79/81/1352047981.db2.gz QCPWUKJIRVHTNX-ODXJTPSBSA-N -2 0 345.461 2.148 20 0 EEADRL CC(C)Cc1ncc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cn1 ZINC001609702821 1352062973 /nfs/dbraw/zinc/06/29/73/1352062973.db2.gz ODNBNJBWTSYMOE-UHFFFAOYSA-N -2 0 341.414 2.236 20 0 EEADRL CCOC(=O)c1cnc(/C=C/c2c[nH]c(C(=O)[O-])c2)c(C(=O)[O-])c1 ZINC001610024460 1352143789 /nfs/dbraw/zinc/14/37/89/1352143789.db2.gz XBRACQNMFCCZPI-ONEGZZNKSA-N -2 0 330.296 2.153 20 0 EEADRL CCOc1ncc(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC001610048578 1352149195 /nfs/dbraw/zinc/14/91/95/1352149195.db2.gz PFVSCGOBXLLBRH-UHFFFAOYSA-N -2 0 342.398 2.349 20 0 EEADRL Cc1ccc(C2CC2)c(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])c1 ZINC001610497335 1352233430 /nfs/dbraw/zinc/23/34/30/1352233430.db2.gz LYEOCYANMGYKJM-GHMZBOCLSA-N -2 0 339.413 2.041 20 0 EEADRL O=C([O-])c1ccc(Cl)c(C(=O)[N-]S(=O)(=O)C2CCCCC2)c1 ZINC001610830204 1352281955 /nfs/dbraw/zinc/28/19/55/1352281955.db2.gz GYPJFSLGMVWWHL-UHFFFAOYSA-N -2 0 345.804 2.431 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cn2)c(F)cc1F ZINC001600301034 1350014692 /nfs/dbraw/zinc/01/46/92/1350014692.db2.gz CXZVAHVAKLRCEJ-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL Cc1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])c2ccccc12 ZINC001600342365 1350024651 /nfs/dbraw/zinc/02/46/51/1350024651.db2.gz RTPCXJAYWJAMOR-NEPJUHHUSA-N -2 0 349.408 2.317 20 0 EEADRL Cc1ccc(NS(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c(C(=O)[O-])c1 ZINC001600463712 1350058158 /nfs/dbraw/zinc/05/81/58/1350058158.db2.gz IQQXAERUASJQST-GXFFZTMASA-N -2 0 341.385 2.078 20 0 EEADRL Cc1nnc(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)cc2)o1 ZINC001600791261 1350138441 /nfs/dbraw/zinc/13/84/41/1350138441.db2.gz BHTNYXZMCKUZLC-UHFFFAOYSA-N -2 0 349.324 2.137 20 0 EEADRL O=C([O-])[C@H](CC(F)F)NC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001601407577 1350277120 /nfs/dbraw/zinc/27/71/20/1350277120.db2.gz JPFLAUFKHLVDGB-ZETCQYMHSA-N -2 0 327.205 2.249 20 0 EEADRL O=C([O-])C1(CS(=O)(=O)[N-][C@H](C2CCCCC2)C(F)(F)F)CC1 ZINC001601713261 1350345791 /nfs/dbraw/zinc/34/57/91/1350345791.db2.gz RDVICAHPZUWHPZ-SNVBAGLBSA-N -2 0 343.367 2.282 20 0 EEADRL O=C([O-])[C@H]1CSCCN1C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001601858082 1350382530 /nfs/dbraw/zinc/38/25/30/1350382530.db2.gz ORYWYDMOBJFAAF-SECBINFHSA-N -2 0 335.303 2.053 20 0 EEADRL O=C([O-])C[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccncc1 ZINC001601903808 1350393803 /nfs/dbraw/zinc/39/38/03/1350393803.db2.gz GPKRQMKLVMVZIH-SNVBAGLBSA-N -2 0 340.257 2.150 20 0 EEADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1nnc(C2CC2)o1 ZINC001602363449 1350504460 /nfs/dbraw/zinc/50/44/60/1350504460.db2.gz RZRSKPXXXHMTFG-UHFFFAOYSA-N -2 0 343.748 2.099 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)c1 ZINC001602559639 1350546768 /nfs/dbraw/zinc/54/67/68/1350546768.db2.gz VIOCDCVHTJGXOR-UHFFFAOYSA-N -2 0 335.337 2.298 20 0 EEADRL CC(C)(C(=O)[O-])c1csc(NC(=O)NC2(CC(=O)[O-])CCC2)n1 ZINC001603276227 1350677332 /nfs/dbraw/zinc/67/73/32/1350677332.db2.gz GLKVIZLXVWGEOC-UHFFFAOYSA-N -2 0 341.389 2.024 20 0 EEADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cc1F ZINC001605208863 1351103545 /nfs/dbraw/zinc/10/35/45/1351103545.db2.gz SKUUMTXOSQKZIQ-VIFPVBQESA-N -2 0 331.365 2.020 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1OC ZINC001605885133 1351245838 /nfs/dbraw/zinc/24/58/38/1351245838.db2.gz KHVAIPFUYUNIIK-UHFFFAOYSA-N -2 0 343.332 2.489 20 0 EEADRL O=S(=O)([N-]c1cccc2c1CCCC2)c1ccc(-c2nnn[n-]2)o1 ZINC001607069082 1351406643 /nfs/dbraw/zinc/40/66/43/1351406643.db2.gz VTJXWTSJIJPYGN-UHFFFAOYSA-N -2 0 345.384 2.139 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccc3nc(C)oc3c2)c(C(=O)[O-])[nH]1 ZINC001607697227 1351541614 /nfs/dbraw/zinc/54/16/14/1351541614.db2.gz BCRYEFUFHUOKHC-UHFFFAOYSA-N -2 0 335.341 2.272 20 0 EEADRL Cc1ccc(C(=O)[O-])c(O)c1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001607736040 1351549169 /nfs/dbraw/zinc/54/91/69/1351549169.db2.gz RTJZKDKOGDTLCS-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL Cc1ccc(NC(=O)N2C[C@@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)c(C)c1 ZINC001607801674 1351561536 /nfs/dbraw/zinc/56/15/36/1351561536.db2.gz DCBLEZQXGWBFQQ-XYEKJYRLSA-N -2 0 346.383 2.333 20 0 EEADRL Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1N ZINC001607960860 1351593667 /nfs/dbraw/zinc/59/36/67/1351593667.db2.gz HDGSNDMLYCYACL-UHFFFAOYSA-N -2 0 341.776 2.125 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)CC(C2CC2)C2CC2)s1 ZINC001608289318 1351664587 /nfs/dbraw/zinc/66/45/87/1351664587.db2.gz WWVULHBSEGDUIN-UHFFFAOYSA-N -2 0 343.426 2.078 20 0 EEADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1CCC(=O)[O-] ZINC000837295458 1372779360 /nfs/dbraw/zinc/77/93/60/1372779360.db2.gz KYKYWCHODBRUQE-OPRDCNLKSA-N -2 0 331.356 2.280 20 0 EEADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000918062539 768876772 /nfs/dbraw/zinc/87/67/72/768876772.db2.gz YCCBPAGXIXTHFD-UHFFFAOYSA-N -3 0 339.300 2.023 20 0 EEADRL CCN(CC(=O)[O-])C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000908951865 785863323 /nfs/dbraw/zinc/86/33/23/785863323.db2.gz XFQVONBLBCGZGT-UHFFFAOYSA-N -2 0 331.372 2.248 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@@H]2CCSc3ccccc32)C1 ZINC000910182723 786514330 /nfs/dbraw/zinc/51/43/30/786514330.db2.gz IYGGNJNGJIRYDN-RAIGVLPGSA-N -2 0 349.408 2.042 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000910184095 786515834 /nfs/dbraw/zinc/51/58/34/786515834.db2.gz QTWAKBIKGPSSHD-FBOSBLRSSA-N -2 0 337.759 2.130 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000910184788 786516383 /nfs/dbraw/zinc/51/63/83/786516383.db2.gz FPLBRLVFNPISIR-RDDDGLTNSA-N -2 0 346.166 2.383 20 0 EEADRL CC(C)(C)SCCCC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910185509 786517637 /nfs/dbraw/zinc/51/76/37/786517637.db2.gz WPIPAMXVIPHXPL-WDEREUQCSA-N -2 0 331.434 2.075 20 0 EEADRL Cc1cc(Cl)c(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1C ZINC000910191741 786523525 /nfs/dbraw/zinc/52/35/25/786523525.db2.gz LGAPSGMGGWUMPJ-MFKMUULPSA-N -2 0 339.775 2.347 20 0 EEADRL CCCCc1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1 ZINC000910192770 786524286 /nfs/dbraw/zinc/52/42/86/786524286.db2.gz UZEVGRVSWSWGKU-GJZGRUSLSA-N -2 0 333.384 2.419 20 0 EEADRL COC(=O)c1ccnc(C)c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176238045 798390667 /nfs/dbraw/zinc/39/06/67/798390667.db2.gz LPFOFLJZEHNAIJ-UHFFFAOYSA-N -2 0 330.296 2.317 20 0 EEADRL O=C([O-])c1cc(Nc2cnncc2Br)cc(C(=O)[O-])c1 ZINC001176238589 798390825 /nfs/dbraw/zinc/39/08/25/798390825.db2.gz JMNKDDBWGWTEHG-UHFFFAOYSA-N -2 0 338.117 2.379 20 0 EEADRL CN1CCc2ccc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)cc2C1=O ZINC001176244595 798393038 /nfs/dbraw/zinc/39/30/38/798393038.db2.gz LSNCCDINJMFIER-UHFFFAOYSA-N -2 0 340.335 2.455 20 0 EEADRL O=C([O-])Cn1cc(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)cn1 ZINC001176270852 798414284 /nfs/dbraw/zinc/41/42/84/798414284.db2.gz HJPJBRQNDBYDKS-UHFFFAOYSA-N -2 0 347.352 2.111 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2O)cc1C(=O)[O-] ZINC001184698440 802133393 /nfs/dbraw/zinc/13/33/93/802133393.db2.gz GTDWMKFNIXEZJD-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(F)n2)cc1C(=O)[O-] ZINC001185278690 802434438 /nfs/dbraw/zinc/43/44/38/802434438.db2.gz QMBGPSDZCHRXKQ-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL O=C([O-])[C@H]1CCCCN1C(=O)c1cc(Br)c(F)cc1[O-] ZINC001595193632 952295704 /nfs/dbraw/zinc/29/57/04/952295704.db2.gz PDKJGTJOKJYHOF-SNVBAGLBSA-N -2 0 346.152 2.373 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)C1CCC(C2CCC2)CC1 ZINC001552982920 1125465635 /nfs/dbraw/zinc/46/56/35/1125465635.db2.gz RJHFWVQZPUSFIX-PFSRBDOWSA-N -2 0 337.416 2.369 20 0 EEADRL O=C([O-])C1(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])CCCCC1 ZINC001605735821 972374980 /nfs/dbraw/zinc/37/49/80/972374980.db2.gz BRUQNCKBOLGNOY-UHFFFAOYSA-N -2 0 347.346 2.234 20 0 EEADRL C[C@H](NC(=O)c1s[n-]c(=O)c1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603242753 972393379 /nfs/dbraw/zinc/39/33/79/972393379.db2.gz JTXJKRFTQGPCPJ-LYFYHCNISA-N -2 0 332.809 2.367 20 0 EEADRL O=C([O-])c1ccc(CCNC(=O)c2cc(F)c(F)c([O-])c2F)cc1 ZINC000392111689 972410435 /nfs/dbraw/zinc/41/04/35/972410435.db2.gz AKHZQVMLEICBAX-UHFFFAOYSA-N -2 0 339.269 2.480 20 0 EEADRL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(F)(F)F ZINC001259222324 960684077 /nfs/dbraw/zinc/68/40/77/960684077.db2.gz OPJDCZGEIOXNAK-SCSAIBSYSA-N -2 0 349.689 2.406 20 0 EEADRL O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1cccc(Br)c1[O-] ZINC001571177199 962116412 /nfs/dbraw/zinc/11/64/12/962116412.db2.gz GUQDBJHDVQMZSN-XCBNKYQSSA-N -2 0 328.162 2.138 20 0 EEADRL CC[C@@H](CNC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C(=O)[O-] ZINC001603567866 973699774 /nfs/dbraw/zinc/69/97/74/973699774.db2.gz KMZSYBOSCXBGKZ-VIFPVBQESA-N -2 0 337.763 2.072 20 0 EEADRL C[C@@](CC(=O)[O-])(NC(=O)c1s[n-]c(=O)c1Cl)c1ccccn1 ZINC001592321160 977720636 /nfs/dbraw/zinc/72/06/36/977720636.db2.gz KSIKICFHHCDULA-ZDUSSCGKSA-N -2 0 341.776 2.017 20 0 EEADRL C[C@@H](CS(=O)(=O)[N-][C@@H](c1cccc(Cl)c1)C(F)F)C(=O)[O-] ZINC001592808720 979485240 /nfs/dbraw/zinc/48/52/40/979485240.db2.gz URKOBGXUNCPNLA-XVKPBYJWSA-N -2 0 341.763 2.286 20 0 EEADRL CCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC001595586442 981532837 /nfs/dbraw/zinc/53/28/37/981532837.db2.gz ZNMOFIDBFARLFV-NSHDSACASA-N -2 0 327.402 2.324 20 0 EEADRL CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1O ZINC001589311693 986098805 /nfs/dbraw/zinc/09/88/05/986098805.db2.gz VFQDNKIBWTWQBJ-UHFFFAOYSA-N -2 0 341.366 2.155 20 0 EEADRL CCc1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])cc1Cl ZINC001597557100 988293622 /nfs/dbraw/zinc/29/36/22/988293622.db2.gz XLCASZSMIBRFFF-UHFFFAOYSA-N -2 0 343.792 2.433 20 0 EEADRL CC(C)(C)OC(=O)NC1(C(=O)[N-]OCCCC(=O)[O-])CCCCC1 ZINC001590124903 989355427 /nfs/dbraw/zinc/35/54/27/989355427.db2.gz DHWACJUURSNAFA-UHFFFAOYSA-N -2 0 344.408 2.127 20 0 EEADRL CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1)C1=CCCCC1 ZINC001590765935 990569187 /nfs/dbraw/zinc/56/91/87/990569187.db2.gz HWWXVPLLMLQQQN-UHFFFAOYSA-N -2 0 328.390 2.178 20 0 EEADRL CN(C)c1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001598295114 991223981 /nfs/dbraw/zinc/22/39/81/991223981.db2.gz RMYOCAUIUYICRZ-LLVKDONJSA-N -2 0 349.387 2.169 20 0 EEADRL COc1ccc2c(c1)onc2[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001599625892 994147895 /nfs/dbraw/zinc/14/78/95/994147895.db2.gz KATBXALVJCGAAF-UHFFFAOYSA-N -2 0 348.336 2.335 20 0 EEADRL CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)c1 ZINC001599041112 999118296 /nfs/dbraw/zinc/11/82/96/999118296.db2.gz KYPOHXCMLOKEKT-JTQLQIEISA-N -2 0 336.369 2.288 20 0 EEADRL CCN(C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)c1ccccc1C ZINC000072982726 216336180 /nfs/dbraw/zinc/33/61/80/216336180.db2.gz RMQPCPVJOWVYGP-UHFFFAOYSA-N -2 0 338.367 2.307 20 0 EEADRL O=C([O-])[C@@H]1CN(C(=O)c2cc(F)c([O-])c(F)c2)C[C@H]1C(F)(F)F ZINC000263226899 304131983 /nfs/dbraw/zinc/13/19/83/304131983.db2.gz ANXUGKBPLYRGCD-RNFRBKRXSA-N -2 0 339.216 2.006 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)c[nH]1 ZINC000353790261 304227626 /nfs/dbraw/zinc/22/76/26/304227626.db2.gz IGNAIMVPWSMVEK-UHFFFAOYSA-N -2 0 346.311 2.158 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)nn1C ZINC000358886024 164008814 /nfs/dbraw/zinc/00/88/14/164008814.db2.gz KRUQQLWDNPZXEI-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3c2OCO3)c(F)c1 ZINC000359828197 164179337 /nfs/dbraw/zinc/17/93/37/164179337.db2.gz FNRKSWKWPPVNGR-UHFFFAOYSA-N -2 0 339.300 2.053 20 0 EEADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000274925486 269076017 /nfs/dbraw/zinc/07/60/17/269076017.db2.gz BOHMKPZQGNFTOB-GFCCVEGCSA-N -2 0 343.401 2.093 20 0 EEADRL Cc1nc(S(=O)(=O)[N-]c2c(C(=O)[O-])cccc2C(C)C)cn1C ZINC000264138213 302616914 /nfs/dbraw/zinc/61/69/14/302616914.db2.gz UESNDFXBDYPJKQ-UHFFFAOYSA-N -2 0 337.401 2.351 20 0 EEADRL Cc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cn(C)c(C(C)C)n2)c1 ZINC000576957823 320220288 /nfs/dbraw/zinc/22/02/88/320220288.db2.gz SPAJBRDMKUGDLY-UHFFFAOYSA-N -2 0 337.401 2.351 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cccc1C(=O)[O-] ZINC000336850143 465050828 /nfs/dbraw/zinc/05/08/28/465050828.db2.gz PEIFRUXUSMLZAY-UHFFFAOYSA-N -3 0 341.366 2.254 20 0 EEADRL COc1cncc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000337133863 465207690 /nfs/dbraw/zinc/20/76/90/465207690.db2.gz BDUYNGWUYWNHPX-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cnn1-c1ccccc1 ZINC000152585433 462552407 /nfs/dbraw/zinc/55/24/07/462552407.db2.gz WUIGKOICSHBJBU-UHFFFAOYSA-N -2 0 346.368 2.008 20 0 EEADRL CC(C)Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cn1 ZINC000075081751 462673074 /nfs/dbraw/zinc/67/30/74/462673074.db2.gz KOLCWLLQHSETAG-UHFFFAOYSA-N -2 0 341.364 2.177 20 0 EEADRL Cc1cc(C(=O)Nc2cncc3ccccc32)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000089764183 462716018 /nfs/dbraw/zinc/71/60/18/462716018.db2.gz CIKVSAKNSQIZRK-UHFFFAOYSA-N -2 0 347.334 2.133 20 0 EEADRL COC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000013278786 462888903 /nfs/dbraw/zinc/88/89/03/462888903.db2.gz ZDOJDGPWPKJOEF-UHFFFAOYSA-N -2 0 349.364 2.281 20 0 EEADRL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(=O)[O-] ZINC000263543579 464126362 /nfs/dbraw/zinc/12/63/62/464126362.db2.gz FIKOSAFIWBADFF-RRAGMBSWSA-N -2 0 343.298 2.021 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2cccc3cccnc32)cc1C(=O)[O-] ZINC000320233388 466605937 /nfs/dbraw/zinc/60/59/37/466605937.db2.gz XIHLYQWPMWBZAK-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL CCCSc1nc(=NC(=O)NC[C@H](CC(C)C)C(=O)[O-])s[n-]1 ZINC000424387956 467038226 /nfs/dbraw/zinc/03/82/26/467038226.db2.gz YEHDCPOBFHPSEZ-VIFPVBQESA-N -2 0 346.478 2.331 20 0 EEADRL C[C@@H]1CCN(S(=O)(=O)Nc2cc(Br)ccc2O)C1 ZINC000408139302 467516432 /nfs/dbraw/zinc/51/64/32/467516432.db2.gz OCJLTQBPFTXNPY-MRVPVSSYSA-N -2 0 335.223 2.153 20 0 EEADRL CCc1cccc2c1N(S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-])CC2 ZINC000530718792 468004319 /nfs/dbraw/zinc/00/43/19/468004319.db2.gz FOQSEXYLEPREII-UHFFFAOYSA-N -2 0 347.392 2.404 20 0 EEADRL COC(C)(C)c1nc(=NC(=O)c2ncc3ccccc3c2[O-])s[n-]1 ZINC000634148505 470224540 /nfs/dbraw/zinc/22/45/40/470224540.db2.gz LPYIWYABGHDJSZ-UHFFFAOYSA-N -2 0 344.396 2.348 20 0 EEADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)c1 ZINC000673884321 485570067 /nfs/dbraw/zinc/57/00/67/485570067.db2.gz NAMHWJSQRQEBKK-UHFFFAOYSA-N -2 0 339.373 2.041 20 0 EEADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2O)cc1C(=O)[O-] ZINC000753768324 577793116 /nfs/dbraw/zinc/79/31/16/577793116.db2.gz FBUKOSMPLBFKFP-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL O=C([O-])CSCc1cccc(NC(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC000739872711 578070920 /nfs/dbraw/zinc/07/09/20/578070920.db2.gz ZKAYRPKLBNUMBF-UHFFFAOYSA-N -2 0 346.364 2.350 20 0 EEADRL C[C@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000736541688 578210298 /nfs/dbraw/zinc/21/02/98/578210298.db2.gz YSYIKJVWHFNZMP-LLVKDONJSA-N -2 0 349.412 2.282 20 0 EEADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)[C@H](C)C(=O)[O-])n2)c1 ZINC000817986008 596935171 /nfs/dbraw/zinc/93/51/71/596935171.db2.gz OHLJRFLTLCGCBT-LLVKDONJSA-N -2 0 331.372 2.246 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1C(=O)[O-] ZINC000832952928 600691167 /nfs/dbraw/zinc/69/11/67/600691167.db2.gz NGDIYDFXVFILNK-UHFFFAOYSA-N -3 0 341.366 2.254 20 0 EEADRL CC(C)C[C@@H](CNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)C(=O)[O-] ZINC000826779869 600774757 /nfs/dbraw/zinc/77/47/57/600774757.db2.gz OEZKMISBHOADCC-JTQLQIEISA-N -2 0 349.412 2.101 20 0 EEADRL C[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000828233223 600943530 /nfs/dbraw/zinc/94/35/30/600943530.db2.gz MPWHYSMFWDBRIF-SMDDNHRTSA-N -2 0 339.413 2.157 20 0 EEADRL CCn1nccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000830450893 600976647 /nfs/dbraw/zinc/97/66/47/600976647.db2.gz GNTXQKZEBCVQGR-UHFFFAOYSA-N -2 0 329.765 2.055 20 0 EEADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1 ZINC000825908273 601230811 /nfs/dbraw/zinc/23/08/11/601230811.db2.gz VXFHRXYMFPUVLU-UHFFFAOYSA-N -2 0 338.341 2.045 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)cc1C(=O)[O-] ZINC000833029368 601233337 /nfs/dbraw/zinc/23/33/37/601233337.db2.gz HEUFVHCHCIEILP-UHFFFAOYSA-N -2 0 347.352 2.477 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)cc1C(=O)[O-] ZINC000833053972 601576524 /nfs/dbraw/zinc/57/65/24/601576524.db2.gz IWLBAUNONQVHAS-UHFFFAOYSA-N -2 0 347.352 2.179 20 0 EEADRL CSc1ccncc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000832790818 601577395 /nfs/dbraw/zinc/57/73/95/601577395.db2.gz VVBPDHLXRIAXRH-UHFFFAOYSA-N -2 0 342.373 2.442 20 0 EEADRL CC[C@@H](C)c1ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1 ZINC000828764184 601598929 /nfs/dbraw/zinc/59/89/29/601598929.db2.gz HRURLTUGBLJSCY-LLVKDONJSA-N -2 0 327.402 2.125 20 0 EEADRL O=C([O-])CCCc1csc([N-]S(=O)(=O)c2cccs2)n1 ZINC000160004169 601770601 /nfs/dbraw/zinc/77/06/01/601770601.db2.gz ZLLRRAHZMXFHQU-UHFFFAOYSA-N -2 0 332.428 2.413 20 0 EEADRL Cc1cc(F)c(S(=O)(=O)[N-]c2csnc2C(=O)[O-])cc1F ZINC000832887174 602155992 /nfs/dbraw/zinc/15/59/92/602155992.db2.gz DNYRMTMAHLWFPG-UHFFFAOYSA-N -2 0 334.325 2.229 20 0 EEADRL CC(C)Cc1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)n[nH]1 ZINC000826910010 602211630 /nfs/dbraw/zinc/21/16/30/602211630.db2.gz VHECWSOVCXBGNJ-UHFFFAOYSA-N -2 0 337.401 2.036 20 0 EEADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])c1 ZINC000833344416 602302214 /nfs/dbraw/zinc/30/22/14/602302214.db2.gz QGLPFZZPTRFLTR-UHFFFAOYSA-N -3 0 345.329 2.084 20 0 EEADRL C[C@@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000828221656 602384881 /nfs/dbraw/zinc/38/48/81/602384881.db2.gz UYNCPFMJOMYYAY-BDAKNGLRSA-N -2 0 331.415 2.078 20 0 EEADRL CCCCn1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1C ZINC000829446834 604793059 /nfs/dbraw/zinc/79/30/59/604793059.db2.gz GWTFBQTUIPRXFK-UHFFFAOYSA-N -2 0 327.362 2.084 20 0 EEADRL COC(=O)c1cccc(S(=O)(=O)[N-]c2sccc2C(=O)[O-])c1 ZINC000833716564 605022589 /nfs/dbraw/zinc/02/25/89/605022589.db2.gz MGFIALUVLVUMFS-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2sccc2C(=O)[O-])c1 ZINC000833494163 605204263 /nfs/dbraw/zinc/20/42/63/605204263.db2.gz HYGQGJPLYDXPJA-UHFFFAOYSA-N -2 0 329.403 2.100 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])c(F)c2)nc1C ZINC000833683460 605264818 /nfs/dbraw/zinc/26/48/18/605264818.db2.gz PSYIMNIOVKGEKV-UHFFFAOYSA-N -2 0 342.352 2.241 20 0 EEADRL Cc1ccc(-c2cc(=NC(=O)c3cc4c(cc3[O-])OCO4)[nH][n-]2)o1 ZINC000447801935 1192780528 /nfs/dbraw/zinc/78/05/28/1192780528.db2.gz FWFTVCOZVSUEHQ-UHFFFAOYSA-N -2 0 327.296 2.087 20 0 EEADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC000863957110 1197936705 /nfs/dbraw/zinc/93/67/05/1197936705.db2.gz KDTTZPXSJGJCRD-UHFFFAOYSA-N -2 0 347.820 2.344 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2nccn21 ZINC001185869269 1278831115 /nfs/dbraw/zinc/83/11/15/1278831115.db2.gz QWNUIGCWCZNYMW-UHFFFAOYSA-N -2 0 331.353 2.142 20 0 EEADRL O=C(Nc1nc[n-]c(=O)c1Br)c1c(F)ccc(F)c1[O-] ZINC001192694809 1282113452 /nfs/dbraw/zinc/11/34/52/1282113452.db2.gz OBXRVQAUOFZCGB-UHFFFAOYSA-N -2 0 346.087 2.181 20 0 EEADRL O=S(=O)(C[C@@H]1CCCO1)[N-]c1cccc(C(F)(F)F)c1[O-] ZINC001193275380 1282418180 /nfs/dbraw/zinc/41/81/80/1282418180.db2.gz SLLSZYZHNOXMPE-QMMMGPOBSA-N -2 0 325.308 2.332 20 0 EEADRL CCc1cccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195195158 1283486962 /nfs/dbraw/zinc/48/69/62/1283486962.db2.gz QHBYOGUKSMIOSI-UHFFFAOYSA-N -2 0 342.323 2.421 20 0 EEADRL COc1nc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198741560 1285313514 /nfs/dbraw/zinc/31/35/14/1285313514.db2.gz OXSGLHVIFTWOAN-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc(-c2ccccn2)no1 ZINC001198741679 1285313726 /nfs/dbraw/zinc/31/37/26/1285313726.db2.gz SPBYWAQPCAJIFQ-UHFFFAOYSA-N -2 0 345.336 2.236 20 0 EEADRL Cn1nc(C2CCC2)cc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198747349 1285316928 /nfs/dbraw/zinc/31/69/28/1285316928.db2.gz WNVRQVPOJSDTFE-UHFFFAOYSA-N -2 0 335.385 2.187 20 0 EEADRL COC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198782266 1285328202 /nfs/dbraw/zinc/32/82/02/1285328202.db2.gz FCXFIJDXGOGBMF-UHFFFAOYSA-N -2 0 349.364 2.281 20 0 EEADRL O=C([O-])Cc1ccc(F)c(Nc2cccc(S(=O)(=O)[O-])c2)c1 ZINC001216683627 1297252792 /nfs/dbraw/zinc/25/27/92/1297252792.db2.gz SBDHAIRAMXZLFT-UHFFFAOYSA-N -2 0 325.317 2.443 20 0 EEADRL COc1cccc(C#N)c1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000325940266 1303271270 /nfs/dbraw/zinc/27/12/70/1303271270.db2.gz BIWGZNJKRFOXNQ-UHFFFAOYSA-N -2 0 346.364 2.374 20 0 EEADRL C[C@H]1Oc2ccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)cc2NC1=O ZINC001242161494 1309624156 /nfs/dbraw/zinc/62/41/56/1309624156.db2.gz XOGRJNKXUTXTTQ-MRVPVSSYSA-N -2 0 327.292 2.469 20 0 EEADRL CCOC(=O)c1ccc(-c2ccc(P(=O)([O-])[O-])cc2)c(OC)c1 ZINC001244534953 1309955014 /nfs/dbraw/zinc/95/50/14/1309955014.db2.gz YFKBQWHQHOPFFT-UHFFFAOYSA-N -2 0 336.280 2.342 20 0 EEADRL O=S(=O)([O-])c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC001259312021 1319522353 /nfs/dbraw/zinc/52/23/53/1319522353.db2.gz LEYOXZBVSWPXBI-UHFFFAOYSA-N -2 0 349.336 2.012 20 0 EEADRL COc1nc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260209354 1319832728 /nfs/dbraw/zinc/83/27/28/1319832728.db2.gz ADEVAZRRZNQXCR-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL C[C@H](O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1 ZINC001260215005 1319834068 /nfs/dbraw/zinc/83/40/68/1319834068.db2.gz DVTRMWHYOUJTPU-VIFPVBQESA-N -2 0 339.344 2.378 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cccc3c2OCC3)c1 ZINC001260215582 1319834331 /nfs/dbraw/zinc/83/43/31/1319834331.db2.gz JRVRYPPFWREVMO-UHFFFAOYSA-N -2 0 337.328 2.260 20 0 EEADRL CC(C)(C)C[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)C(=O)[O-] ZINC001603327772 1350688990 /nfs/dbraw/zinc/68/89/90/1350688990.db2.gz NUPNUMRWJAGQFB-LLVKDONJSA-N -2 0 349.412 2.243 20 0 EEADRL O=C([O-])[C@@H](CNS(=O)(=O)c1cc([O-])cc(F)c1)C1CCCCC1 ZINC001608539139 1351712594 /nfs/dbraw/zinc/71/25/94/1351712594.db2.gz VLHUVUIJFLRIIF-AWEZNQCLSA-N -2 0 345.392 2.091 20 0 EEADRL CCc1ccc(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC001605806355 1351225880 /nfs/dbraw/zinc/22/58/80/1351225880.db2.gz QYYLOWWKMFNGKU-UHFFFAOYSA-N -2 0 339.394 2.127 20 0 EEADRL O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])C1 ZINC001608621254 1351727788 /nfs/dbraw/zinc/72/77/88/1351727788.db2.gz DAMFPXCBCVWYDR-GZBFAFLISA-N -2 0 331.368 2.088 20 0 EEADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC001608954138 1351802379 /nfs/dbraw/zinc/80/23/79/1351802379.db2.gz CTFCFAAAHJUPHW-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])c1 ZINC001608990518 1351809497 /nfs/dbraw/zinc/80/94/97/1351809497.db2.gz BYUCVWWPERMNSA-UHFFFAOYSA-N -3 0 345.716 2.130 20 0 EEADRL CC[C@H](C)n1nc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1C ZINC001609911637 1352118150 /nfs/dbraw/zinc/11/81/50/1352118150.db2.gz TXOHXYWPXVGLLP-ZETCQYMHSA-N -2 0 344.418 2.118 20 0 EEADRL CCc1ncc(S(=O)(=O)[N-]c2cnc(C(=O)[O-])c(Cl)c2)s1 ZINC001610073736 1352156002 /nfs/dbraw/zinc/15/60/02/1352156002.db2.gz ZPSITYLWMVUSRI-UHFFFAOYSA-N -2 0 347.805 2.253 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])c(C)c1F ZINC001610346649 1352208808 /nfs/dbraw/zinc/20/88/08/1352208808.db2.gz RXECPZKJPJLAPQ-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL Cc1ccc(NC(=O)C(=O)[N-]OCc2ccc(F)cc2)c(C(=O)[O-])c1 ZINC001610504356 1352234608 /nfs/dbraw/zinc/23/46/08/1352234608.db2.gz FZOYXGWLOWFIGY-UHFFFAOYSA-N -2 0 346.314 2.019 20 0 EEADRL Cc1n[nH]c(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)c1[O-] ZINC001610547816 1352242787 /nfs/dbraw/zinc/24/27/87/1352242787.db2.gz ITOXCJZQNDIRRK-CYBMUJFWSA-N -2 0 325.324 2.133 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)CC1CCCCC1 ZINC001610581981 1352248901 /nfs/dbraw/zinc/24/89/01/1352248901.db2.gz YELODAHONZVBDU-UHFFFAOYSA-N -2 0 329.374 2.062 20 0 EEADRL CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001589772805 1349034830 /nfs/dbraw/zinc/03/48/30/1349034830.db2.gz TXWGPGBCACMJFC-UHFFFAOYSA-N -2 0 333.373 2.384 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cccc(C(F)F)c2)cnn1CC(=O)[O-] ZINC001600054655 1349962660 /nfs/dbraw/zinc/96/26/60/1349962660.db2.gz OMMBTXIFAWFZSM-UHFFFAOYSA-N -2 0 345.327 2.015 20 0 EEADRL Cc1cc(/C=C\c2cc(C(=O)[O-])ncn2)cc(C)c1OCC(=O)[O-] ZINC001600186491 1349988056 /nfs/dbraw/zinc/98/80/56/1349988056.db2.gz ONPKIEUSDBYYKG-ARJAWSKDSA-N -2 0 328.324 2.425 20 0 EEADRL Cc1[nH]c(C(=O)[O-])cc1C([O-])=CS(=O)(=O)c1cc(C)ccc1C ZINC001600389437 1350037736 /nfs/dbraw/zinc/03/77/36/1350037736.db2.gz DMSPRPURXXGUCD-UHFFFAOYSA-N -2 0 335.381 2.295 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cccnc2SCCC(=O)[O-])o1 ZINC001600483797 1350062904 /nfs/dbraw/zinc/06/29/04/1350062904.db2.gz UPTSPQTUWSLGNN-UHFFFAOYSA-N -2 0 342.398 2.351 20 0 EEADRL Cc1ccccc1-c1nc(C(=O)N(CCC(=O)[O-])CC(=O)[O-])cs1 ZINC001600562776 1350083804 /nfs/dbraw/zinc/08/38/04/1350083804.db2.gz SJSUOJXBBRUESV-UHFFFAOYSA-N -2 0 348.380 2.120 20 0 EEADRL O=C([O-])[C@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1ccc2c(c1)CCO2 ZINC001601399246 1350274482 /nfs/dbraw/zinc/27/44/82/1350274482.db2.gz RRYKFRYLAZWDPX-CQSZACIVSA-N -2 0 349.289 2.161 20 0 EEADRL O=C([O-])CCCO[N-]C(=O)C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC001601995430 1350413363 /nfs/dbraw/zinc/41/33/63/1350413363.db2.gz RENVXPSMCWVFPE-UHFFFAOYSA-N -2 0 342.351 2.205 20 0 EEADRL O=C([O-])CCCc1nnc(NC(=O)c2ccc3[nH]cnc3c2F)s1 ZINC001602003673 1350415892 /nfs/dbraw/zinc/41/58/92/1350415892.db2.gz UOIBILPBKZVTMK-UHFFFAOYSA-N -2 0 349.347 2.213 20 0 EEADRL O=C([O-])CNC(=O)c1ccc(NC(=O)c2c([O-])cccc2Cl)cc1 ZINC001602074558 1350431522 /nfs/dbraw/zinc/43/15/22/1350431522.db2.gz XOMLUDZWXZVTQD-UHFFFAOYSA-N -2 0 348.742 2.112 20 0 EEADRL O=C([O-])COc1cccc(C(=O)NC2(C(=O)[O-])CCCCCC2)c1 ZINC001602090142 1350434699 /nfs/dbraw/zinc/43/46/99/1350434699.db2.gz DCFGJVHQVPIFGC-UHFFFAOYSA-N -2 0 335.356 2.057 20 0 EEADRL O=C([O-])c1cc(-c2csc(NC(=O)C3(C(=O)[O-])CC=CC3)n2)c[nH]1 ZINC001602236591 1350473240 /nfs/dbraw/zinc/47/32/40/1350473240.db2.gz HMVLPAYGEDIAQK-UHFFFAOYSA-N -2 0 347.352 2.196 20 0 EEADRL O=C([O-])c1cccc(C(=O)COC(=O)c2c(F)cc([O-])cc2F)c1 ZINC001602431328 1350517977 /nfs/dbraw/zinc/51/79/77/1350517977.db2.gz APOFXDVCOLFARL-UHFFFAOYSA-N -2 0 336.246 2.408 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)c1 ZINC001602558899 1350545993 /nfs/dbraw/zinc/54/59/93/1350545993.db2.gz IGQPTGHMXDKOQN-UHFFFAOYSA-N -2 0 334.309 2.434 20 0 EEADRL CC(C)C[C@H](CNC(=O)N1CCc2ccc(C(=O)[O-])cc2C1)C(=O)[O-] ZINC001603775938 1350765244 /nfs/dbraw/zinc/76/52/44/1350765244.db2.gz MARTYUQZVOLATL-CQSZACIVSA-N -2 0 348.399 2.199 20 0 EEADRL CC1(C)Cc2cc([N-]S(=O)(=O)c3cncc(C(=O)[O-])c3)ccc2O1 ZINC001604552428 1350959478 /nfs/dbraw/zinc/95/94/78/1350959478.db2.gz FZPDRPOMRYNMEQ-UHFFFAOYSA-N -2 0 348.380 2.294 20 0 EEADRL COc1cc(CNC(=O)c2c([O-])cc(F)cc2F)ccc1C(=O)[O-] ZINC001607162174 1351440848 /nfs/dbraw/zinc/44/08/48/1351440848.db2.gz MZFJGFGDLUDORU-UHFFFAOYSA-N -2 0 337.278 2.307 20 0 EEADRL COc1cc(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])ccc1C(=O)[O-] ZINC001607178297 1351443907 /nfs/dbraw/zinc/44/39/07/1351443907.db2.gz JUNCYZQZGTVFDM-SNVBAGLBSA-N -2 0 338.360 2.262 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c(C(=O)[O-])cc1C ZINC001607697004 1351541354 /nfs/dbraw/zinc/54/13/54/1351541354.db2.gz ZCIMYNTYPBMMQZ-UHFFFAOYSA-N -3 0 339.325 2.094 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c(C)s1 ZINC001607705076 1351543374 /nfs/dbraw/zinc/54/33/74/1351543374.db2.gz DGLYHCKEYJDEPD-XYPYZODXSA-N -2 0 345.442 2.061 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c(N(C)C)n1 ZINC001607810764 1351563444 /nfs/dbraw/zinc/56/34/44/1351563444.db2.gz NYERBTZQPIBBKY-UHFFFAOYSA-N -2 0 341.414 2.017 20 0 EEADRL Cc1ccc2[nH]c([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)nc2c1 ZINC001607828678 1351567112 /nfs/dbraw/zinc/56/71/12/1351567112.db2.gz UMTUTVANSKJEQM-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL Cc1ccccc1-n1ccnc1SCC(=O)[N-]OCCCC(=O)[O-] ZINC001607870766 1351575649 /nfs/dbraw/zinc/57/56/49/1351575649.db2.gz DXYWQJGLSZETKI-UHFFFAOYSA-N -2 0 349.412 2.185 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cnn(C(F)F)c1 ZINC001607928443 1351587986 /nfs/dbraw/zinc/58/79/86/1351587986.db2.gz ZLJMIVRLMYOSEF-UHFFFAOYSA-N -2 0 337.329 2.147 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)sc1C ZINC001607965926 1351594454 /nfs/dbraw/zinc/59/44/54/1351594454.db2.gz DCQZPNUKEGOJDJ-UHFFFAOYSA-N -2 0 344.389 2.327 20 0 EEADRL Cc1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(C2CC2)n1 ZINC001607984022 1351598013 /nfs/dbraw/zinc/59/80/13/1351598013.db2.gz OGVBLVLWFWPSLD-UHFFFAOYSA-N -2 0 333.369 2.161 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2nnc(C(C)C)s2)cc1C(=O)[O-] ZINC001608057316 1351615746 /nfs/dbraw/zinc/61/57/46/1351615746.db2.gz VJWOYWGSBFYYST-UHFFFAOYSA-N -2 0 331.375 2.062 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N(CC(=O)[O-])[C@@H](C)CC)n1 ZINC000909311937 786173511 /nfs/dbraw/zinc/17/35/11/786173511.db2.gz KLJORRLNJHSMSF-LBPRGKRZSA-N -2 0 345.399 2.466 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)/C=C\c2ccc(Cl)s2)C1 ZINC000910183269 786515712 /nfs/dbraw/zinc/51/57/12/786515712.db2.gz MMALQUMNYFACCF-VDKVCSQUSA-N -2 0 343.788 2.191 20 0 EEADRL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000032596898 793608635 /nfs/dbraw/zinc/60/86/35/793608635.db2.gz UVCVDGPUEVSWGK-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL Cc1ccc(CCC(=O)NCCOP(=O)([O-])[O-])c2ccccc12 ZINC001178600292 799543789 /nfs/dbraw/zinc/54/37/89/799543789.db2.gz VWGPBQUBDNWIEQ-UHFFFAOYSA-N -2 0 337.312 2.306 20 0 EEADRL CCOc1cccnc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184659557 802121769 /nfs/dbraw/zinc/12/17/69/802121769.db2.gz IQGCZIOPHMDBMN-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)CCC1CCCCC1)C1CCCC1 ZINC000863963162 939245232 /nfs/dbraw/zinc/24/52/32/939245232.db2.gz MOJFNKPNYDOLAC-CQSZACIVSA-N -2 0 345.461 2.294 20 0 EEADRL O=C([O-])c1ccc(NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])nc1 ZINC001595236106 949404788 /nfs/dbraw/zinc/40/47/88/949404788.db2.gz QYULKTMLAFBTJX-UHFFFAOYSA-N -2 0 342.286 2.063 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000392179736 972420669 /nfs/dbraw/zinc/42/06/69/972420669.db2.gz UULWZNRYFLJEQF-UHFFFAOYSA-N -2 0 349.364 2.333 20 0 EEADRL COc1ccnc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC001188276960 960551070 /nfs/dbraw/zinc/55/10/70/960551070.db2.gz NOLYRXIYMBYNHQ-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000317524923 970366566 /nfs/dbraw/zinc/36/65/66/970366566.db2.gz IFFUNZVYPCDLDR-UHFFFAOYSA-N -2 0 341.414 2.017 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ccc2n[nH]cc2c1 ZINC000318443827 970435394 /nfs/dbraw/zinc/43/53/94/970435394.db2.gz SOVYQPSTRNLADW-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL C[C@@]1(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC=CCC1 ZINC000398369888 973128363 /nfs/dbraw/zinc/12/83/63/973128363.db2.gz INQZOOYNFPDLPC-CQSZACIVSA-N -2 0 331.340 2.440 20 0 EEADRL C[C@@H](/C=C/C(=O)[O-])NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC001592206829 977246364 /nfs/dbraw/zinc/24/63/64/977246364.db2.gz WMYCMWCLYRKIFF-BPQDVTRRSA-N -2 0 329.308 2.224 20 0 EEADRL C[C@@H](CC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1)c1ccccc1 ZINC001592227001 977422572 /nfs/dbraw/zinc/42/25/72/977422572.db2.gz KIWKIGJZVUYSLR-CIOOFUQASA-N -2 0 345.395 2.204 20 0 EEADRL CCC(CC)(CC(=O)NCc1ccc(Cl)c(C(=O)[O-])n1)C(=O)[O-] ZINC001595047643 979257920 /nfs/dbraw/zinc/25/79/20/979257920.db2.gz BVJWSIBIYCZALV-UHFFFAOYSA-N -2 0 342.779 2.331 20 0 EEADRL O=C([O-])c1cccc(C(=O)[N-]S(=O)(=O)CCC2CCCC2)c1 ZINC000863963284 979677968 /nfs/dbraw/zinc/67/79/68/979677968.db2.gz QSUMLROIINCDTN-UHFFFAOYSA-N -2 0 325.386 2.025 20 0 EEADRL CCCCC[C@@H](NC(=O)c1nn(-c2cccc(F)c2)cc1[O-])C(=O)[O-] ZINC001595680879 982157273 /nfs/dbraw/zinc/15/72/73/982157273.db2.gz KCRAWAZJXTVQNX-CYBMUJFWSA-N -2 0 349.362 2.480 20 0 EEADRL C[C@@H](C(=O)[O-])c1cccc([N-]S(=O)(=O)c2cnc(Cl)n2C)c1 ZINC001589540171 987240787 /nfs/dbraw/zinc/24/07/87/987240787.db2.gz RQCJITNDVARUKX-MRVPVSSYSA-N -2 0 343.792 2.062 20 0 EEADRL CC[C@@H]([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC)C(F)(F)F ZINC001597291890 987383879 /nfs/dbraw/zinc/38/38/79/987383879.db2.gz FJUFWRIXROTDCP-SSDOTTSWSA-N -2 0 347.336 2.074 20 0 EEADRL CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)NC[C@H](C(=O)[O-])C2CCC2)C1 ZINC001589609608 987455060 /nfs/dbraw/zinc/45/50/60/987455060.db2.gz HSBMQPOTEZVBHL-STQMWFEESA-N -2 0 340.420 2.020 20 0 EEADRL CCc1ccc(C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC001597500920 988061231 /nfs/dbraw/zinc/06/12/31/988061231.db2.gz DCPDWNIPCLPGNM-UHFFFAOYSA-N -2 0 347.392 2.207 20 0 EEADRL COCc1cc([N-]S(=O)(=O)c2cnc(C)s2)cc(C(=O)[O-])c1 ZINC001599289138 997033158 /nfs/dbraw/zinc/03/31/58/997033158.db2.gz FXGAAANXTFRABS-UHFFFAOYSA-N -2 0 342.398 2.097 20 0 EEADRL COc1ccc(C2CC2)c([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)c1 ZINC001599537002 997760636 /nfs/dbraw/zinc/76/06/36/997760636.db2.gz HVEZQHCIFMVEEL-UHFFFAOYSA-N -2 0 348.380 2.467 20 0 EEADRL CC1=CC[C@](C)(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)CC1 ZINC001594113647 998227805 /nfs/dbraw/zinc/22/78/05/998227805.db2.gz PACJPAWUGAHHDR-AWEZNQCLSA-N -2 0 343.426 2.388 20 0 EEADRL C[C@H]1CCC[C@@]1(C)C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001594356266 999345455 /nfs/dbraw/zinc/34/54/55/999345455.db2.gz APQBHNXRGZTZOM-MEDUHNTESA-N -2 0 339.413 2.157 20 0 EEADRL CCC(CC)(C(=O)[O-])C(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC001549134331 1121127239 /nfs/dbraw/zinc/12/72/39/1121127239.db2.gz KIPOFZMZEGRYCG-KBPBESRZSA-N -2 0 333.384 2.204 20 0 EEADRL Cc1cccc([C@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-])c1C ZINC000275022791 539703558 /nfs/dbraw/zinc/70/35/58/539703558.db2.gz BFHRPTGAXVKQFF-ONGXEEELSA-N -2 0 339.335 2.299 20 0 EEADRL Cc1nc(C=Cc2cnn(CC(F)(F)F)c2)[nH]c(=O)c1CC(=O)[O-] ZINC000349107589 539861125 /nfs/dbraw/zinc/86/11/25/539861125.db2.gz KFKBMDJUERFATI-IHWYPQMZSA-N -2 0 342.277 2.047 20 0 EEADRL CC(C)(C)n1cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cn1 ZINC000362306933 539935885 /nfs/dbraw/zinc/93/58/85/539935885.db2.gz VNCNDVOWBMVBPB-UHFFFAOYSA-N -2 0 341.364 2.276 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCCC3)o1 ZINC000049556874 214018832 /nfs/dbraw/zinc/01/88/32/214018832.db2.gz QPKQFASBURCRLA-UHFFFAOYSA-N -2 0 328.371 2.114 20 0 EEADRL COc1cc(O)cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC000355824965 153156838 /nfs/dbraw/zinc/15/68/38/153156838.db2.gz FMGNLKATCVVDDT-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1scnc1C1CC1 ZINC000342772394 161089384 /nfs/dbraw/zinc/08/93/84/161089384.db2.gz BWFQRLCGDJYTLK-UHFFFAOYSA-N -2 0 328.371 2.421 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c(F)c1 ZINC000358859001 164000980 /nfs/dbraw/zinc/00/09/80/164000980.db2.gz RMNORUKGINMNRS-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(C(C)C)n1 ZINC000314094453 311587896 /nfs/dbraw/zinc/58/78/96/311587896.db2.gz ZFRANZXEYVDXBC-UHFFFAOYSA-N -2 0 329.403 2.333 20 0 EEADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000433528829 314780152 /nfs/dbraw/zinc/78/01/52/314780152.db2.gz FOOVPFGMIJKISS-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)Nc2c(F)cccc2F)c1 ZINC000436894713 315010511 /nfs/dbraw/zinc/01/05/11/315010511.db2.gz RTBQEOSGYAKYCU-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc3ncccc3c2)c1O ZINC000436998165 315021982 /nfs/dbraw/zinc/02/19/82/315021982.db2.gz XWZDOJMVQBMPBB-UHFFFAOYSA-N -2 0 344.348 2.439 20 0 EEADRL CC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1O ZINC000563671996 319035151 /nfs/dbraw/zinc/03/51/51/319035151.db2.gz FNSJUWRMZDEMLZ-UHFFFAOYSA-N -2 0 349.364 2.402 20 0 EEADRL COCc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000336868099 465061003 /nfs/dbraw/zinc/06/10/03/465061003.db2.gz QKWGTEKQMWEUKN-UHFFFAOYSA-N -2 0 339.344 2.471 20 0 EEADRL COc1ccsc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC000339071908 465064666 /nfs/dbraw/zinc/06/46/66/465064666.db2.gz CZZCLJOSHVSHAP-UHFFFAOYSA-N -2 0 331.346 2.395 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(F)F)nc1 ZINC000339096097 465079068 /nfs/dbraw/zinc/07/90/68/465079068.db2.gz ICTJZDFRPXNSSJ-UHFFFAOYSA-N -2 0 348.283 2.083 20 0 EEADRL COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000013299849 462889471 /nfs/dbraw/zinc/88/94/71/462889471.db2.gz LWTLNBPPXKIJNM-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL CCc1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cn1 ZINC000532612896 468126325 /nfs/dbraw/zinc/12/63/25/468126325.db2.gz BDCKTOOQKFQREA-UHFFFAOYSA-N -2 0 341.776 2.191 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)n1C ZINC000629294625 469493094 /nfs/dbraw/zinc/49/30/94/469493094.db2.gz ZLYOILLVZPCXJW-SNVBAGLBSA-N -2 0 337.401 2.108 20 0 EEADRL Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000738915409 576125629 /nfs/dbraw/zinc/12/56/29/576125629.db2.gz LNVIPQCEYZXNGX-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)ccc1C(=O)[O-] ZINC000738463284 576453732 /nfs/dbraw/zinc/45/37/32/576453732.db2.gz KMYDTANJRZGSFY-UHFFFAOYSA-N -3 0 341.366 2.254 20 0 EEADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])c1ccccc1 ZINC000776571219 577462777 /nfs/dbraw/zinc/46/27/77/577462777.db2.gz MEVCEMUURWMVTK-MWLCHTKSSA-N -2 0 339.335 2.115 20 0 EEADRL Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000776747689 577467009 /nfs/dbraw/zinc/46/70/09/577467009.db2.gz KZVQIKNXNJCFCD-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL Cc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000756936771 577853449 /nfs/dbraw/zinc/85/34/49/577853449.db2.gz RDIILGGXHVKPIY-UHFFFAOYSA-N -2 0 332.284 2.069 20 0 EEADRL C[C@@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000736541089 578210361 /nfs/dbraw/zinc/21/03/61/578210361.db2.gz QDUDRVKQRZXHIF-JTQLQIEISA-N -2 0 335.385 2.353 20 0 EEADRL C[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736561509 578211358 /nfs/dbraw/zinc/21/13/58/578211358.db2.gz IGFGRDQXNMPEGX-VIFPVBQESA-N -2 0 345.442 2.468 20 0 EEADRL C[C@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CC(C)(C)C1 ZINC000736755797 578221839 /nfs/dbraw/zinc/22/18/39/578221839.db2.gz PXDCAOWKFXDPBA-RYUDHWBXSA-N -2 0 333.450 2.150 20 0 EEADRL CC[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)C(C)C ZINC000736892240 578228370 /nfs/dbraw/zinc/22/83/70/578228370.db2.gz LMRMROQVQQSLLY-LLVKDONJSA-N -2 0 327.402 2.262 20 0 EEADRL CCc1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 ZINC000737274010 578247510 /nfs/dbraw/zinc/24/75/10/578247510.db2.gz FCDQGCIKBBXLOB-UHFFFAOYSA-N -2 0 330.362 2.344 20 0 EEADRL Cc1cc(NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)ccc1C(=O)[O-] ZINC000821037512 597492138 /nfs/dbraw/zinc/49/21/38/597492138.db2.gz FXOIPQBVATXMGU-UHFFFAOYSA-N -2 0 339.307 2.289 20 0 EEADRL CN(C)c1ccccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000113250490 600980087 /nfs/dbraw/zinc/98/00/87/600980087.db2.gz GUSQZFWZOIVNQJ-UHFFFAOYSA-N -2 0 326.399 2.313 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cn2)c[nH]1 ZINC000833304030 600988871 /nfs/dbraw/zinc/98/88/71/600988871.db2.gz LNBWOUUCUABSBA-UHFFFAOYSA-N -2 0 336.156 2.216 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)cc1C(=O)[O-] ZINC000833030029 601234305 /nfs/dbraw/zinc/23/43/05/601234305.db2.gz QDFVVZLIXHLDQU-UHFFFAOYSA-N -3 0 339.325 2.094 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2ccc3ncccc3c2)sc1C(=O)[O-] ZINC000833002971 601359329 /nfs/dbraw/zinc/35/93/29/601359329.db2.gz JQDJTCPWSWNXMH-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 ZINC000830104868 601362233 /nfs/dbraw/zinc/36/22/33/601362233.db2.gz XHZBXOIPHIGKSH-UHFFFAOYSA-N -2 0 340.332 2.118 20 0 EEADRL CCCc1nnc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])s1 ZINC000829574350 601503400 /nfs/dbraw/zinc/50/34/00/601503400.db2.gz WGKRLKIFVICCBL-UHFFFAOYSA-N -2 0 345.377 2.129 20 0 EEADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc2ccccc2n1 ZINC000833345862 601768750 /nfs/dbraw/zinc/76/87/50/601768750.db2.gz GXHSIWBOWNDHBZ-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL CC(C)CC1(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])CCC1 ZINC000826826481 601768870 /nfs/dbraw/zinc/76/88/70/601768870.db2.gz KLFNATAILLHMOB-UHFFFAOYSA-N -2 0 345.442 2.468 20 0 EEADRL Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000832889341 601769536 /nfs/dbraw/zinc/76/95/36/601769536.db2.gz QECZWLGCLMFXSX-UHFFFAOYSA-N -2 0 341.414 2.017 20 0 EEADRL O=C([O-])[C@@H](NC(=O)CSc1n[n-]c(=S)s1)C1CCCCC1 ZINC000833115717 601787850 /nfs/dbraw/zinc/78/78/50/601787850.db2.gz CWAVZSYLPZHWSQ-VIFPVBQESA-N -2 0 347.487 2.069 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)n1 ZINC000830270047 601945575 /nfs/dbraw/zinc/94/55/75/601945575.db2.gz JYXJBNOGOTVBAH-OAHLLOKOSA-N -2 0 345.399 2.369 20 0 EEADRL O=C([O-])Cc1cccc(NC(=O)CSc2n[n-]c(=S)s2)c1 ZINC000819557453 602078879 /nfs/dbraw/zinc/07/88/79/602078879.db2.gz QVFNDJHWTXZKPV-UHFFFAOYSA-N -2 0 341.439 2.185 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)Nc2c(F)cccc2C(=O)[O-])cc1 ZINC000833323558 602296301 /nfs/dbraw/zinc/29/63/01/602296301.db2.gz NHHYQFLNVSGZQZ-UHFFFAOYSA-N -2 0 339.300 2.023 20 0 EEADRL C[C@@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000828221651 602384821 /nfs/dbraw/zinc/38/48/21/602384821.db2.gz URBDYRBTCVKEIO-YPMHNXCESA-N -2 0 339.413 2.157 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)[O-])cs2)s1 ZINC000832956684 604625540 /nfs/dbraw/zinc/62/55/40/604625540.db2.gz RUDTXMKQLFGXRP-UHFFFAOYSA-N -2 0 332.428 2.331 20 0 EEADRL O=C([O-])c1cncc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000062947017 604889464 /nfs/dbraw/zinc/88/94/64/604889464.db2.gz XUWPETXWVCNCHI-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL COc1ncc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185877403 1278844306 /nfs/dbraw/zinc/84/43/06/1278844306.db2.gz JOBCSKUTTUHIAE-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL Cc1ncc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(C)n1 ZINC001188279559 1279827192 /nfs/dbraw/zinc/82/71/92/1279827192.db2.gz HJTWLBZQLUPRFH-UHFFFAOYSA-N -2 0 341.776 2.246 20 0 EEADRL O=C(NCc1ccc2ocnc2c1)c1ccccc1OP(=O)([O-])[O-] ZINC001189899811 1280571200 /nfs/dbraw/zinc/57/12/00/1280571200.db2.gz VGIUOKSLBSNBMB-UHFFFAOYSA-N -2 0 348.251 2.229 20 0 EEADRL COC(=O)c1c[nH]c2ncc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)cc12 ZINC001242161230 1309622746 /nfs/dbraw/zinc/62/27/46/1309622746.db2.gz RERPQNWARMWEBM-UHFFFAOYSA-N -2 0 340.291 2.413 20 0 EEADRL CS(=O)(=O)c1ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c(F)c1 ZINC001242189653 1309633111 /nfs/dbraw/zinc/63/31/11/1309633111.db2.gz ZBNJZLYZOXMZAX-UHFFFAOYSA-N -2 0 338.312 2.293 20 0 EEADRL COc1cccc(Cc2cc(=O)n(-c3ccc(C(=O)[O-])cn3)[n-]2)c1 ZINC001245940361 1310191855 /nfs/dbraw/zinc/19/18/55/1310191855.db2.gz REAKIJCBPRMEDU-UHFFFAOYSA-N -2 0 325.324 2.271 20 0 EEADRL O=c1cc(-c2cccc(O)c2)[n-]n1-c1ccc(S(=O)(=O)[O-])cc1 ZINC001245940295 1310192045 /nfs/dbraw/zinc/19/20/45/1310192045.db2.gz TVTDFNWBSQTVPW-UHFFFAOYSA-N -2 0 332.337 2.197 20 0 EEADRL CC(C)(C)c1nccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC001260222706 1319837309 /nfs/dbraw/zinc/83/73/09/1319837309.db2.gz AKBYGTMYXPSUPK-UHFFFAOYSA-N -2 0 335.385 2.273 20 0 EEADRL COc1ccc(CS(=O)(=O)[N-]c2ncc(Cl)cc2[O-])cc1 ZINC001259891964 1319727163 /nfs/dbraw/zinc/72/71/63/1319727163.db2.gz BYHIHTIXHUVJGL-UHFFFAOYSA-N -2 0 328.777 2.391 20 0 EEADRL COc1c(F)cccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260182917 1319816608 /nfs/dbraw/zinc/81/66/08/1319816608.db2.gz VCZOBAZHDNLWCY-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cccc3cnncc32)c1 ZINC001260215354 1319833568 /nfs/dbraw/zinc/83/35/68/1319833568.db2.gz YBSCVVVTZJTCLX-UHFFFAOYSA-N -2 0 347.327 2.268 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc3c(c2)CCC3=O)c1 ZINC001260215601 1319834387 /nfs/dbraw/zinc/83/43/87/1319834387.db2.gz KOOOZPRNUXGSFB-UHFFFAOYSA-N -2 0 349.339 2.454 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnccc2C2CC2)ccc1O ZINC001260393779 1319882795 /nfs/dbraw/zinc/88/27/95/1319882795.db2.gz UWLZYZICKFAKAK-UHFFFAOYSA-N -2 0 334.353 2.164 20 0 EEADRL CNC(=O)c1ccc(OC)c(-c2c(C(=O)[O-])cccc2C(=O)[O-])c1 ZINC001205144378 1322297109 /nfs/dbraw/zinc/29/71/09/1322297109.db2.gz AQOSEXPBWTUUNN-UHFFFAOYSA-N -2 0 329.308 2.118 20 0 EEADRL O=C([O-])[C@]12CCC[C@H]1N(C(=O)c1nn(-c3ccccc3)cc1[O-])CC2 ZINC001602629506 1350561933 /nfs/dbraw/zinc/56/19/33/1350561933.db2.gz OHIWKXBVXAPDSH-KDOFPFPSSA-N -2 0 341.367 2.047 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2O)cn1 ZINC001607822193 1351565476 /nfs/dbraw/zinc/56/54/76/1351565476.db2.gz XRNZCYCXNIQEHA-UHFFFAOYSA-N -2 0 342.760 2.248 20 0 EEADRL O=C([O-])CC1(CC(=O)Nc2cc3c(cc2C(=O)[O-])OCO3)CCC1 ZINC001608677313 1351739860 /nfs/dbraw/zinc/73/98/60/1351739860.db2.gz JQXJDIZCVHVMNS-UHFFFAOYSA-N -2 0 335.312 2.087 20 0 EEADRL CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001609714117 1352066407 /nfs/dbraw/zinc/06/64/07/1352066407.db2.gz FOECWZSUXSQEQG-UHFFFAOYSA-N -2 0 333.381 2.465 20 0 EEADRL CC(C)c1cccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])o2)c1 ZINC001609720891 1352068089 /nfs/dbraw/zinc/06/80/89/1352068089.db2.gz UGBWTSLIERLUFB-UHFFFAOYSA-N -2 0 337.353 2.220 20 0 EEADRL O=C([O-])CC1(CS(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])CC1 ZINC001610755975 1352269500 /nfs/dbraw/zinc/26/95/00/1352269500.db2.gz CRVBQCDTMFWAGH-UHFFFAOYSA-N -2 0 347.776 2.035 20 0 EEADRL O=C([O-])CCCO[N-]C(=O)C(=O)Nc1cccc(-c2ccccc2)c1 ZINC001610770723 1352271880 /nfs/dbraw/zinc/27/18/80/1352271880.db2.gz KORRFZSZYLXVEJ-UHFFFAOYSA-N -2 0 342.351 2.205 20 0 EEADRL CC(C)OCCON=c1[n-]c(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC001589748613 1349027655 /nfs/dbraw/zinc/02/76/55/1349027655.db2.gz GPMDKRBUPMEGJW-UHFFFAOYSA-N -2 0 332.286 2.049 20 0 EEADRL O=C(Cc1coc2ccccc12)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001592933040 1349728705 /nfs/dbraw/zinc/72/87/05/1349728705.db2.gz USWRHZHHVLKCCQ-UHFFFAOYSA-N -2 0 335.323 2.266 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCCC2(C)C)oc1C(=O)[O-] ZINC001600296899 1350013661 /nfs/dbraw/zinc/01/36/61/1350013661.db2.gz ICBKBEHFZDERDS-JTQLQIEISA-N -2 0 343.401 2.308 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cnn3c2CCCC3)cc1C(=O)[O-] ZINC001600483792 1350062551 /nfs/dbraw/zinc/06/25/51/1350062551.db2.gz UAOSTYZEUOSXGA-UHFFFAOYSA-N -2 0 335.385 2.027 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cccc(C)c2Cl)cnn1CC(=O)[O-] ZINC001600551096 1350080163 /nfs/dbraw/zinc/08/01/63/1350080163.db2.gz RVFMCCCRJRLSLV-UHFFFAOYSA-N -2 0 343.792 2.039 20 0 EEADRL O=C([O-])C1CC2(C1)C[C@H](NC(=O)c1ccc(Cl)c([O-])c1)CCO2 ZINC001601444707 1350285053 /nfs/dbraw/zinc/28/50/53/1350285053.db2.gz QGKFIDDBVCNEFD-NOEPWBJOSA-N -2 0 339.775 2.188 20 0 EEADRL O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2nccc(Br)c2[O-])C1 ZINC001601805178 1350368553 /nfs/dbraw/zinc/36/85/53/1350368553.db2.gz GLWNJZHZRDOXHM-YUMQZZPRSA-N -2 0 343.177 2.379 20 0 EEADRL O=C([O-])CCc1ccc([N-]S(=O)(=O)c2cnn(C3CCC3)c2)cc1 ZINC001602040797 1350424864 /nfs/dbraw/zinc/42/48/64/1350424864.db2.gz CALVAWPTSKKLCV-UHFFFAOYSA-N -2 0 349.412 2.426 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccnn2C2CCC2)s1 ZINC001602385330 1350507680 /nfs/dbraw/zinc/50/76/80/1350507680.db2.gz GUFDYGQMJYFOHI-UHFFFAOYSA-N -2 0 327.387 2.169 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)s1 ZINC001602385894 1350508027 /nfs/dbraw/zinc/50/80/27/1350508027.db2.gz LAQRTCNQIANHAP-UHFFFAOYSA-N -2 0 325.367 2.277 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2-c2cn[nH]c2)o1 ZINC001602402073 1350510983 /nfs/dbraw/zinc/51/09/83/1350510983.db2.gz KMYJJLFRGYESEM-UHFFFAOYSA-N -2 0 333.325 2.169 20 0 EEADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001602586892 1350551758 /nfs/dbraw/zinc/55/17/58/1350551758.db2.gz NPLXHKWQAVZWNT-UHFFFAOYSA-N -2 0 336.753 2.435 20 0 EEADRL CC[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001604983437 1351045809 /nfs/dbraw/zinc/04/58/09/1351045809.db2.gz PTWWZMCMAIEZPK-SECBINFHSA-N -2 0 333.431 2.324 20 0 EEADRL CCC(CC)(CNC(=O)Nc1ccc(C(=O)[O-])cc1OC)C(=O)[O-] ZINC001604998874 1351049987 /nfs/dbraw/zinc/04/99/87/1351049987.db2.gz LDXOOAWJFHXLRB-UHFFFAOYSA-N -2 0 338.360 2.406 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OC ZINC001605885282 1351245810 /nfs/dbraw/zinc/24/58/10/1351245810.db2.gz PEPRYVHHVNVZEM-UHFFFAOYSA-N -2 0 325.342 2.350 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(SC)nc1 ZINC001605884980 1351246267 /nfs/dbraw/zinc/24/62/67/1351246267.db2.gz HTVMFBDICZDQRB-UHFFFAOYSA-N -2 0 342.398 2.458 20 0 EEADRL COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001607169906 1351442626 /nfs/dbraw/zinc/44/26/26/1351442626.db2.gz YPXBJDJSVVSFBP-UHFFFAOYSA-N -2 0 347.295 2.374 20 0 EEADRL Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC001607731753 1351548357 /nfs/dbraw/zinc/54/83/57/1351548357.db2.gz FUOFAQHWHVNVQQ-UHFFFAOYSA-N -2 0 347.392 2.261 20 0 EEADRL Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001607764754 1351553981 /nfs/dbraw/zinc/55/39/81/1351553981.db2.gz IKTSIFIOICVVJE-UHFFFAOYSA-N -2 0 333.365 2.120 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)CC3)cc1C(=O)[O-] ZINC001608057393 1351615863 /nfs/dbraw/zinc/61/58/63/1351615863.db2.gz ZDZLFCGHOIECGI-UHFFFAOYSA-N -2 0 336.369 2.079 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]C2(C(F)(F)F)CC2)c(F)cc1F ZINC001195259956 1368513431 /nfs/dbraw/zinc/51/34/31/1368513431.db2.gz OTNOABJIWPPLQN-UHFFFAOYSA-N -2 0 345.245 2.036 20 0 EEADRL COc1ccc2nc(Cl)cc(NCCOP(=O)([O-])[O-])c2c1 ZINC001168587102 790544032 /nfs/dbraw/zinc/54/40/32/790544032.db2.gz ONTLJMKTQNEPJU-UHFFFAOYSA-N -2 0 332.680 2.418 20 0 EEADRL CSC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000906005276 783637254 /nfs/dbraw/zinc/63/72/54/783637254.db2.gz OQRKFUJHJNFBLM-MRVPVSSYSA-N -2 0 344.241 2.088 20 0 EEADRL Cc1cccc(CO[N-]C(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)n1 ZINC000907848989 784904646 /nfs/dbraw/zinc/90/46/46/784904646.db2.gz AFVUGKBKZFOZTP-CRAIPNDOSA-N -2 0 326.352 2.196 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1csc2ccccc12 ZINC000910190531 786522739 /nfs/dbraw/zinc/52/27/39/786522739.db2.gz XCWKLSHGXDOBRB-JOYOIKCWSA-N -2 0 333.365 2.291 20 0 EEADRL Cc1ccccc1[C@H](C)CC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910190319 786522835 /nfs/dbraw/zinc/52/28/35/786522835.db2.gz WETQMUSPJPPENR-VNHYZAJKSA-N -2 0 333.384 2.265 20 0 EEADRL C[C@H](C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000910192134 786523736 /nfs/dbraw/zinc/52/37/36/786523736.db2.gz NDBRKRLHWMFRRJ-UFGOTCBOSA-N -2 0 339.775 2.220 20 0 EEADRL Cc1cc(C)cc(CCC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1 ZINC000910192989 786524336 /nfs/dbraw/zinc/52/43/36/786524336.db2.gz ZRMCCKOXOYVIPD-CABCVRRESA-N -2 0 333.384 2.012 20 0 EEADRL CCCN(C(=O)c1nn(-c2ccccc2CC)cc1[O-])[C@@H](C)C(=O)[O-] ZINC000911714038 787652725 /nfs/dbraw/zinc/65/27/25/787652725.db2.gz ONQUQMMZOYWSEL-LBPRGKRZSA-N -2 0 345.399 2.466 20 0 EEADRL Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000806633516 811952328 /nfs/dbraw/zinc/95/23/28/811952328.db2.gz TZSOMURRJWGWCX-UHFFFAOYSA-N -2 0 340.788 2.471 20 0 EEADRL CC(C)(C)n1cc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cn1 ZINC000357098775 971530558 /nfs/dbraw/zinc/53/05/58/971530558.db2.gz BGSUUFKVAPCAKT-UHFFFAOYSA-N -2 0 337.401 2.066 20 0 EEADRL C[C@@H](C(=O)[O-])N(C(=O)c1cc(Br)cc(F)c1[O-])C1CC1 ZINC001602814956 971612103 /nfs/dbraw/zinc/61/21/03/971612103.db2.gz JKWLHBHIZWKCOV-LURJTMIESA-N -2 0 346.152 2.372 20 0 EEADRL O=C([O-])CC[C@@H]1C[C@@H](C(=O)Nc2cc(Cl)c([O-])cc2F)CO1 ZINC001595003543 951167123 /nfs/dbraw/zinc/16/71/23/951167123.db2.gz DXYURAOQIKWTSR-HTQZYQBOSA-N -2 0 331.727 2.393 20 0 EEADRL CCOc1ncccc1[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000390741941 972302227 /nfs/dbraw/zinc/30/22/27/972302227.db2.gz RYHYQYWELLKQTF-UHFFFAOYSA-N -2 0 340.357 2.189 20 0 EEADRL Cc1[nH]nc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1C ZINC000131813380 958756399 /nfs/dbraw/zinc/75/63/99/958756399.db2.gz HHCGIVUMMAZYTQ-UHFFFAOYSA-N -2 0 329.765 2.179 20 0 EEADRL COc1ccnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC001187545087 960544813 /nfs/dbraw/zinc/54/48/13/960544813.db2.gz CMRLZHYPVYFXDR-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL N#Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c(Cl)c1 ZINC000236465314 960638797 /nfs/dbraw/zinc/63/87/97/960638797.db2.gz KTGOJSXINUFVML-UHFFFAOYSA-N -2 0 326.717 2.304 20 0 EEADRL CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCCC(=O)[O-] ZINC001588835101 961760271 /nfs/dbraw/zinc/76/02/71/961760271.db2.gz DAIPGPAJVCMZTA-HNNXBMFYSA-N -2 0 327.402 2.085 20 0 EEADRL O=C([O-])COc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000320427784 970663912 /nfs/dbraw/zinc/66/39/12/970663912.db2.gz KMCKHTIAQGXSHK-UHFFFAOYSA-N -2 0 343.307 2.229 20 0 EEADRL Cc1nc(N(C)Cc2nc(=O)c3sccc3[n-]2)sc1C(=O)[O-] ZINC001605408891 973409235 /nfs/dbraw/zinc/40/92/35/973409235.db2.gz QNSJUMWQUNYYJX-UHFFFAOYSA-N -2 0 336.398 2.496 20 0 EEADRL C[C@H](CC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C1CCCCC1 ZINC001592260273 977501566 /nfs/dbraw/zinc/50/15/66/977501566.db2.gz YUCUDUPCCPHFJO-SNVBAGLBSA-N -2 0 343.401 2.389 20 0 EEADRL CCC1(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)CCC1 ZINC001595366425 980815389 /nfs/dbraw/zinc/81/53/89/980815389.db2.gz JASMDIULOOTTDL-UHFFFAOYSA-N -2 0 325.386 2.078 20 0 EEADRL CC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC001594828458 981996230 /nfs/dbraw/zinc/99/62/30/981996230.db2.gz DXANTNGRIGMPQQ-LBPRGKRZSA-N -2 0 343.298 2.165 20 0 EEADRL CC[C@@H](C)[C@@H]([N-]S(=O)(=O)CC1(CC(=O)[O-])CC1)C(F)(F)F ZINC001594921369 982469729 /nfs/dbraw/zinc/46/97/29/982469729.db2.gz QCMSOODKAQMJES-PSASIEDQSA-N -2 0 331.356 2.138 20 0 EEADRL CCCc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)n(C)n1 ZINC001596058442 983365872 /nfs/dbraw/zinc/36/58/72/983365872.db2.gz MCCJSZKEJZKLQO-UHFFFAOYSA-N -2 0 337.401 2.180 20 0 EEADRL C/C(=C\C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001588942928 984639056 /nfs/dbraw/zinc/63/90/56/984639056.db2.gz SXMJMCDJLHMRPZ-ZRDIBKRKSA-N -2 0 345.376 2.293 20 0 EEADRL CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1 ZINC001589609607 987455027 /nfs/dbraw/zinc/45/50/27/987455027.db2.gz HSBMQPOTEZVBHL-QWHCGFSZSA-N -2 0 340.420 2.020 20 0 EEADRL CSc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cn1 ZINC001599820040 988496378 /nfs/dbraw/zinc/49/63/78/988496378.db2.gz OTFNNCOBXMVNFS-UHFFFAOYSA-N -2 0 328.371 2.204 20 0 EEADRL CCc1nn(C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC001597724090 989015575 /nfs/dbraw/zinc/01/55/75/989015575.db2.gz YBJJAOKAWXPFEA-UHFFFAOYSA-N -2 0 343.792 2.135 20 0 EEADRL CCn1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC001597968557 990014200 /nfs/dbraw/zinc/01/42/00/990014200.db2.gz ZPRCRLGWPDYDCR-UHFFFAOYSA-N -2 0 343.792 2.364 20 0 EEADRL CC(C)(C)c1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)no1 ZINC001590545807 990184532 /nfs/dbraw/zinc/18/45/32/990184532.db2.gz POPJTHASXMONGD-UHFFFAOYSA-N -2 0 343.336 2.005 20 0 EEADRL CN(Cc1n[n-]c(=O)o1)[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC001598536747 992848041 /nfs/dbraw/zinc/84/80/41/992848041.db2.gz LQIILHDXSIKLTO-SNVBAGLBSA-N -2 0 331.250 2.052 20 0 EEADRL CN1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)c2C1 ZINC001598630594 994168412 /nfs/dbraw/zinc/16/84/12/994168412.db2.gz SLDFYPTYDOZFDR-UHFFFAOYSA-N -2 0 338.410 2.193 20 0 EEADRL CO[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC001599073438 996815318 /nfs/dbraw/zinc/81/53/18/996815318.db2.gz KXHYFNXPZUFBPV-ZDUSSCGKSA-N -2 0 334.155 2.015 20 0 EEADRL Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)no2)c(=O)c1CC(=O)[O-] ZINC001594113089 998219048 /nfs/dbraw/zinc/21/90/48/998219048.db2.gz CWFNNRYSLGZFDG-SNVBAGLBSA-N -2 0 334.719 2.203 20 0 EEADRL C[C@@H]1CCC[C@]1(C)C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001594356265 999345508 /nfs/dbraw/zinc/34/55/08/999345508.db2.gz APQBHNXRGZTZOM-BZNIZROVSA-N -2 0 339.413 2.157 20 0 EEADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)n[nH]1 ZINC000322467723 539752926 /nfs/dbraw/zinc/75/29/26/539752926.db2.gz JWRUZBMDHZLDBF-UHFFFAOYSA-N -2 0 341.364 2.345 20 0 EEADRL CCCc1nc(=NCCCN=c2nc(CCC)[n-]s2)s[n-]1 ZINC000359847435 164183874 /nfs/dbraw/zinc/18/38/74/164183874.db2.gz WQUMHTYUGNBDMS-UHFFFAOYSA-N -2 0 326.495 2.053 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000360229987 164263094 /nfs/dbraw/zinc/26/30/94/164263094.db2.gz IDMLNAFZUMDLLG-UHFFFAOYSA-N -2 0 349.364 2.121 20 0 EEADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2c(C)cccc2O)c1 ZINC000436800250 314999490 /nfs/dbraw/zinc/99/94/90/314999490.db2.gz UGEWCIGCPRGLEQ-UHFFFAOYSA-N -2 0 337.353 2.214 20 0 EEADRL Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(O)c1 ZINC000436959834 315016659 /nfs/dbraw/zinc/01/66/59/315016659.db2.gz IKHZMHHXIRJVFQ-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL Cc1c(F)cc(S(=O)(=O)[N-]c2cnoc2C2CC2)cc1C(=O)[O-] ZINC000516063060 316531223 /nfs/dbraw/zinc/53/12/23/316531223.db2.gz KETHJMQPEOEQKL-UHFFFAOYSA-N -2 0 340.332 2.499 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)sc1C(=O)[O-] ZINC000045946117 462632994 /nfs/dbraw/zinc/63/29/94/462632994.db2.gz CYDCUOZHGQUVLU-UHFFFAOYSA-N -2 0 341.366 2.284 20 0 EEADRL O=C([O-])COc1ccc(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC000060058685 463647591 /nfs/dbraw/zinc/64/75/91/463647591.db2.gz JXAVLTOMLXCQIN-UTCJRWHESA-N -2 0 344.279 2.322 20 0 EEADRL CC(C)n1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)n1 ZINC000280913809 464274308 /nfs/dbraw/zinc/27/43/08/464274308.db2.gz GSIPZTSQFFXYEY-UHFFFAOYSA-N -2 0 337.401 2.282 20 0 EEADRL CCn1nc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1C ZINC000284961827 464408364 /nfs/dbraw/zinc/40/83/64/464408364.db2.gz CNLRWXDRNHLXNN-UHFFFAOYSA-N -2 0 337.401 2.327 20 0 EEADRL CCCc1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)s1 ZINC000362720887 465971463 /nfs/dbraw/zinc/97/14/63/465971463.db2.gz BHYDJAUFUPACBP-UHFFFAOYSA-N -2 0 343.430 2.242 20 0 EEADRL Cc1cccc([N-]S(=O)(=O)c2cn(CC(C)C)cn2)c1C(=O)[O-] ZINC000361981724 466456526 /nfs/dbraw/zinc/45/65/26/466456526.db2.gz HMZAWOJIQGIQDI-UHFFFAOYSA-N -2 0 337.401 2.347 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)cs1 ZINC000313914681 466544347 /nfs/dbraw/zinc/54/43/47/466544347.db2.gz RUBNGGSHZFFYEF-UHFFFAOYSA-N -2 0 325.367 2.277 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(F)cccc2F)c(O)c1 ZINC000314494714 466551528 /nfs/dbraw/zinc/55/15/28/466551528.db2.gz RZCZEDLVRIUZHN-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1F ZINC000320994764 466616240 /nfs/dbraw/zinc/61/62/40/466616240.db2.gz PQCRLKCGEPEXSK-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL O=C(N=c1nc(Cc2ccccc2)[n-]s1)c1ccc(O)cc1[O-] ZINC000548772017 468133389 /nfs/dbraw/zinc/13/33/89/468133389.db2.gz JGLVIZXXLWSRLR-UHFFFAOYSA-N -2 0 327.365 2.214 20 0 EEADRL Cn1cnc(S(=O)(=O)[N-]c2cc(C(C)(C)C)ccc2C(=O)[O-])c1 ZINC000573815112 469213211 /nfs/dbraw/zinc/21/32/11/469213211.db2.gz LOPBLEFIWDAMDZ-UHFFFAOYSA-N -2 0 337.401 2.217 20 0 EEADRL COC(C)(C)c1nc(=NC(=O)c2ccc(Cl)cc2[O-])s[n-]1 ZINC000634152294 470225576 /nfs/dbraw/zinc/22/55/76/470225576.db2.gz CMKZUBMKCLRBFN-UHFFFAOYSA-N -2 0 327.793 2.453 20 0 EEADRL COC(C)(C)c1nc(=NC(=O)c2cc(F)c(F)c([O-])c2F)s[n-]1 ZINC000634151833 470225604 /nfs/dbraw/zinc/22/56/04/470225604.db2.gz MRFZSQCGFOYQQA-UHFFFAOYSA-N -2 0 347.318 2.217 20 0 EEADRL O=C([O-])c1ccc(CS(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000647920068 471016514 /nfs/dbraw/zinc/01/65/14/471016514.db2.gz OKSSTMJPSZCZAD-UHFFFAOYSA-N -2 0 335.337 2.025 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2ncc[nH]2)c(SCCC(=O)[O-])c1 ZINC000647924469 471017716 /nfs/dbraw/zinc/01/77/16/471017716.db2.gz XYWIIDJSSPAMOD-UHFFFAOYSA-N -2 0 341.414 2.086 20 0 EEADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000663040341 472336693 /nfs/dbraw/zinc/33/66/93/472336693.db2.gz YFCCBJNDNULQDY-JTQLQIEISA-N -2 0 337.401 2.102 20 0 EEADRL COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000738105232 577999641 /nfs/dbraw/zinc/99/96/41/577999641.db2.gz ATBTYDUGAUZVNI-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL Cc1cn2cc([N-]S(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])ccc2n1 ZINC000738798026 578027169 /nfs/dbraw/zinc/02/71/69/578027169.db2.gz FTWWMZRPPWADHI-UHFFFAOYSA-N -2 0 349.368 2.352 20 0 EEADRL O=C([O-])CC[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccccc1 ZINC000739662688 578063227 /nfs/dbraw/zinc/06/32/27/578063227.db2.gz VGIUYVZXWPABQG-ZDUSSCGKSA-N -2 0 328.324 2.116 20 0 EEADRL CC(C)COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cn1 ZINC000736448623 578204837 /nfs/dbraw/zinc/20/48/37/578204837.db2.gz NACYYOCJWOGMPX-UHFFFAOYSA-N -2 0 340.357 2.208 20 0 EEADRL CCCCC1CCC(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CC1 ZINC000736986726 578232389 /nfs/dbraw/zinc/23/23/89/578232389.db2.gz ZWAAWSHWTFPHJZ-UHFFFAOYSA-N -2 0 333.450 2.294 20 0 EEADRL O=C([O-])c1ccc(CNC(=O)C[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000819135113 597204766 /nfs/dbraw/zinc/20/47/66/597204766.db2.gz FUNHCDMKWOTANC-OAHLLOKOSA-N -2 0 327.336 2.260 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2cnn(CC3CC3)c2)c1C(=O)[O-] ZINC000832972514 600691946 /nfs/dbraw/zinc/69/19/46/600691946.db2.gz DSCFISSCZYYWAW-UHFFFAOYSA-N -2 0 335.385 2.101 20 0 EEADRL C[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000828233221 600943442 /nfs/dbraw/zinc/94/34/42/600943442.db2.gz MPWHYSMFWDBRIF-RISCZKNCSA-N -2 0 339.413 2.157 20 0 EEADRL O=C([O-])C[C@@H]1CSCCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000833221893 600966352 /nfs/dbraw/zinc/96/63/52/600966352.db2.gz KYQVXQGEYRRLIB-SECBINFHSA-N -2 0 338.410 2.149 20 0 EEADRL O=C([O-])[C@@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)c1ccccn1 ZINC000833126914 600973937 /nfs/dbraw/zinc/97/39/37/600973937.db2.gz SAGGPNXSCXOMSE-LBPRGKRZSA-N -2 0 329.337 2.067 20 0 EEADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)c1 ZINC000833344156 600989426 /nfs/dbraw/zinc/98/94/26/600989426.db2.gz CVJBWRVDNGPINP-UHFFFAOYSA-N -2 0 349.393 2.433 20 0 EEADRL C/C(=C\C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1cccc(Cl)c1 ZINC000825724288 601142799 /nfs/dbraw/zinc/14/27/99/601142799.db2.gz MBWGQLPUMJKVHR-CSKARUKUSA-N -2 0 345.804 2.054 20 0 EEADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])c1 ZINC000833344491 601358042 /nfs/dbraw/zinc/35/80/42/601358042.db2.gz VGVRNISVISGVIK-UHFFFAOYSA-N -3 0 333.368 2.007 20 0 EEADRL O=C([O-])Cc1csc([N-]S(=O)(=O)c2ccc3ncccc3c2)n1 ZINC000833269375 601359380 /nfs/dbraw/zinc/35/93/80/601359380.db2.gz ODMRWCJTSIGCCJ-UHFFFAOYSA-N -2 0 349.393 2.119 20 0 EEADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C#N)cn2)c1C ZINC000320803011 601360122 /nfs/dbraw/zinc/36/01/22/601360122.db2.gz WBLJDVBPXNMTMJ-UHFFFAOYSA-N -2 0 331.353 2.069 20 0 EEADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000833333415 601501296 /nfs/dbraw/zinc/50/12/96/601501296.db2.gz HALVIBGDQIXDFT-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(Cl)ccn1 ZINC000831945546 601769223 /nfs/dbraw/zinc/76/92/23/601769223.db2.gz KBEZXWOWQADCPU-UHFFFAOYSA-N -2 0 348.789 2.304 20 0 EEADRL COc1c(C)ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c1C ZINC000831847150 601834507 /nfs/dbraw/zinc/83/45/07/601834507.db2.gz KWZOSTZDUQXIAG-UHFFFAOYSA-N -2 0 342.398 2.268 20 0 EEADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000833295240 601848069 /nfs/dbraw/zinc/84/80/69/601848069.db2.gz SRQPGFGOVNOASV-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000832011273 601858156 /nfs/dbraw/zinc/85/81/56/601858156.db2.gz SQZZKONGDXTAGF-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL COC(=O)c1sccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cs1 ZINC000831479573 602117866 /nfs/dbraw/zinc/11/78/66/602117866.db2.gz RHGXWLBGDOICKC-UHFFFAOYSA-N -2 0 347.395 2.095 20 0 EEADRL O=C([O-])c1csc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000833343564 602118240 /nfs/dbraw/zinc/11/82/40/602118240.db2.gz HZNKNMSGBNGBJL-UHFFFAOYSA-N -2 0 340.338 2.094 20 0 EEADRL CN(CC(=O)Nc1cc(Br)cc(Cl)c1[O-])C(=O)[O-] ZINC000833692161 604989527 /nfs/dbraw/zinc/98/95/27/604989527.db2.gz MTRLAFFBFVYVPZ-UHFFFAOYSA-N -2 0 337.557 2.356 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)o1 ZINC000833751444 605012041 /nfs/dbraw/zinc/01/20/41/605012041.db2.gz YPBSRWULVIWYSF-UHFFFAOYSA-N -2 0 330.387 2.253 20 0 EEADRL CC(C)n1nccc1[N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000325456888 605133449 /nfs/dbraw/zinc/13/34/49/605133449.db2.gz QDROCUZZPAIQOL-UHFFFAOYSA-N -2 0 349.412 2.381 20 0 EEADRL COc1ccc(C)nc1NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189873021 1280530580 /nfs/dbraw/zinc/53/05/80/1280530580.db2.gz ZJRBJXYOZVAAML-UHFFFAOYSA-N -2 0 338.256 2.122 20 0 EEADRL O=C(N[C@@H]1CCc2c1cccc2O)c1ccccc1OP(=O)([O-])[O-] ZINC001189905574 1280544783 /nfs/dbraw/zinc/54/47/83/1280544783.db2.gz VVQJKDXAADDSTQ-CYBMUJFWSA-N -2 0 349.279 2.281 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cnc2ccc(O)cc2c1 ZINC001198740948 1285314628 /nfs/dbraw/zinc/31/46/28/1285314628.db2.gz KOCBVLIEUBSUFM-UHFFFAOYSA-N -2 0 344.348 2.439 20 0 EEADRL CC(=O)c1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cnc1C ZINC001198746642 1285317508 /nfs/dbraw/zinc/31/75/08/1285317508.db2.gz HMYWWOZHEOCEDX-UHFFFAOYSA-N -2 0 334.353 2.092 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cccc2snnc21 ZINC001198782326 1285327991 /nfs/dbraw/zinc/32/79/91/1285327991.db2.gz GQABLRDLQNALAB-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL Cc1cc(=O)n(-c2ccc(-c3ccc(C4(C(=O)[O-])CC4)cc3)nn2)[n-]1 ZINC001222666245 1299770441 /nfs/dbraw/zinc/77/04/41/1299770441.db2.gz OORXLNVJEABHMG-UHFFFAOYSA-N -2 0 336.351 2.372 20 0 EEADRL COC(=O)c1cc2c[nH]c(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)cc-2n1 ZINC001242160269 1309622952 /nfs/dbraw/zinc/62/29/52/1309622952.db2.gz GWSQJVHUERPQPS-UHFFFAOYSA-N -2 0 340.291 2.413 20 0 EEADRL Cc1c(C(=O)[O-])cccc1-c1cccc2c1NC(=O)[N-]S2(=O)=O ZINC001245299757 1310066344 /nfs/dbraw/zinc/06/63/44/1310066344.db2.gz KANLYPBBLONGFY-UHFFFAOYSA-N -2 0 332.337 2.184 20 0 EEADRL Nc1ccc(-c2cc(=O)n(-c3ccc(S(=O)(=O)[O-])cc3)[n-]2)cc1 ZINC001245937964 1310192306 /nfs/dbraw/zinc/19/23/06/1310192306.db2.gz RCCLTKPBJGRETM-UHFFFAOYSA-N -2 0 331.353 2.074 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2snc3cccnc32)cc1 ZINC001260222845 1319836891 /nfs/dbraw/zinc/83/68/91/1319836891.db2.gz GRCNQJYHUXYRLQ-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1CO ZINC001260216253 1319833760 /nfs/dbraw/zinc/83/37/60/1319833760.db2.gz YGEYBLJYEUVCPD-UHFFFAOYSA-N -2 0 339.344 2.125 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)ccc1CO ZINC001260215819 1319834666 /nfs/dbraw/zinc/83/46/66/1319834666.db2.gz BAXLSOPTEXRTQF-UHFFFAOYSA-N -2 0 339.344 2.125 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc(Cl)c(F)c2)ccc1O ZINC001260393685 1319883258 /nfs/dbraw/zinc/88/32/58/1319883258.db2.gz SMSMBDCXOSYTPS-UHFFFAOYSA-N -2 0 346.723 2.079 20 0 EEADRL Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1O ZINC001260400017 1319884407 /nfs/dbraw/zinc/88/44/07/1319884407.db2.gz LTYRMLNSVRUFAA-UHFFFAOYSA-N -2 0 341.316 2.044 20 0 EEADRL O=C([O-])c1cc2cccc(NC(=O)C(=O)[N-]OC3CCC3)c2s1 ZINC001608484353 1351702389 /nfs/dbraw/zinc/70/23/89/1351702389.db2.gz JWPQLDYIMJEXKY-UHFFFAOYSA-N -2 0 334.353 2.138 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCCC(C)(C)C2)oc1C(=O)[O-] ZINC001600297088 1350014139 /nfs/dbraw/zinc/01/41/39/1350014139.db2.gz JSYZVSHJBYEYAW-JTQLQIEISA-N -2 0 343.401 2.308 20 0 EEADRL Nc1c([N-]S(=O)(=O)c2cccc3cccnc32)cccc1C(=O)[O-] ZINC001601209549 1350231759 /nfs/dbraw/zinc/23/17/59/1350231759.db2.gz TVBLFCHMTFURLU-UHFFFAOYSA-N -2 0 343.364 2.316 20 0 EEADRL C[C@@]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)(C(=O)[O-])C1CC1 ZINC001604354181 1350922146 /nfs/dbraw/zinc/92/21/46/1350922146.db2.gz OBARAZXLZRINLA-LBPRGKRZSA-N -2 0 339.747 2.150 20 0 EEADRL O=C([O-])C1CC2(C1)CN(c1nc3ccccc3s1)C[C@H]2C(=O)[O-] ZINC001608609544 1351725377 /nfs/dbraw/zinc/72/53/77/1351725377.db2.gz BUITVSYWMATBSI-MAXPVNGDSA-N -2 0 332.381 2.298 20 0 EEADRL O=C([O-])c1ccc(C([O-])=CS(=O)(=O)c2ccc(F)cc2Cl)o1 ZINC001608871291 1351782707 /nfs/dbraw/zinc/78/27/07/1351782707.db2.gz NJLQSFQYDMBOIF-UHFFFAOYSA-N -2 0 346.719 2.427 20 0 EEADRL O=C([O-])c1cccc(C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1 ZINC001608928828 1351796748 /nfs/dbraw/zinc/79/67/48/1351796748.db2.gz SDKDVSBMRORIJN-CVEARBPZSA-N -2 0 339.347 2.325 20 0 EEADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccccc1Oc1ccccc1 ZINC001609642741 1352048561 /nfs/dbraw/zinc/04/85/61/1352048561.db2.gz CFFCIRBXYPVCBD-NSHDSACASA-N -2 0 349.364 2.012 20 0 EEADRL C[C@@H](O[C@@H](C)C(=O)Nc1cc2ccccc2cc1C(=O)[O-])C(=O)[O-] ZINC001609801187 1352088432 /nfs/dbraw/zinc/08/84/32/1352088432.db2.gz WOFGCPQTBLPYNV-VHSXEESVSA-N -2 0 331.324 2.355 20 0 EEADRL CSc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cn1 ZINC001610385007 1352214213 /nfs/dbraw/zinc/21/42/13/1352214213.db2.gz UEQZDEGJYFOLIV-UHFFFAOYSA-N -2 0 342.373 2.442 20 0 EEADRL Cc1ccc(C2CC2)c(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])c1 ZINC001610497339 1352233587 /nfs/dbraw/zinc/23/35/87/1352233587.db2.gz LYEOCYANMGYKJM-WDEREUQCSA-N -2 0 339.413 2.041 20 0 EEADRL Cc1ccc2[nH]c([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)nc2c1 ZINC001610515261 1352236429 /nfs/dbraw/zinc/23/64/29/1352236429.db2.gz BKKSPIQBRZXBTJ-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)n[nH]c1C(C)C ZINC001600008926 1349954687 /nfs/dbraw/zinc/95/46/87/1349954687.db2.gz QOSVUEYYKAXEGN-UHFFFAOYSA-N -2 0 337.401 2.269 20 0 EEADRL Cc1cc(C=O)c([O-])c(C(=O)Nc2c(C)ccc(C(=O)[O-])c2O)c1 ZINC001600186465 1349988116 /nfs/dbraw/zinc/98/81/16/1349988116.db2.gz VXVAHIZGWPODRL-UHFFFAOYSA-N -2 0 329.308 2.478 20 0 EEADRL Cc1cc(Cl)ccc1NC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC001600220882 1349996009 /nfs/dbraw/zinc/99/60/09/1349996009.db2.gz IXCZWDJRRAXQJL-SKDRFNHKSA-N -2 0 340.763 2.430 20 0 EEADRL Cc1ccc(C)c(NC(=O)N2C[C@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)c1 ZINC001600389006 1350037957 /nfs/dbraw/zinc/03/79/57/1350037957.db2.gz USIZGQOMMIGSNA-YNAXMUEKSA-N -2 0 346.383 2.333 20 0 EEADRL Cc1ccc(NS(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c(C(=O)[O-])c1 ZINC001600463714 1350057899 /nfs/dbraw/zinc/05/78/99/1350057899.db2.gz IQQXAERUASJQST-ZWNOBZJWSA-N -2 0 341.385 2.078 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)cc1C(=O)[O-] ZINC001600747799 1350127107 /nfs/dbraw/zinc/12/71/07/1350127107.db2.gz XXGJTHOCTXWFRE-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL O=C([O-])[C@H]1CCN(CC(=O)[N-]OCc2ccccc2)c2ccccc21 ZINC001601304777 1350252844 /nfs/dbraw/zinc/25/28/44/1350252844.db2.gz GVKCYOLENMZQBA-INIZCTEOSA-N -2 0 340.379 2.313 20 0 EEADRL O=C([O-])[C@H](C[C@@H]1CCCOC1)NC(=O)c1cc(F)cc(Cl)c1[O-] ZINC001601413861 1350279049 /nfs/dbraw/zinc/27/90/49/1350279049.db2.gz YIPKXMBJNNXCLO-UFBFGSQYSA-N -2 0 345.754 2.184 20 0 EEADRL O=C([O-])[C@@H](C[C@@H]1CCCOC1)NC(=O)c1cc(F)cc(Cl)c1[O-] ZINC001601413860 1350279172 /nfs/dbraw/zinc/27/91/72/1350279172.db2.gz YIPKXMBJNNXCLO-QPUJVOFHSA-N -2 0 345.754 2.184 20 0 EEADRL O=C([O-])c1cc2cccnc2c(NC(=O)C(=O)c2ccc(O)cc2)c1 ZINC001601583873 1350313103 /nfs/dbraw/zinc/31/31/03/1350313103.db2.gz ZFNSQNRFYOBYBP-UHFFFAOYSA-N -2 0 336.303 2.460 20 0 EEADRL O=C([O-])C1CC2(C1)CN(C(=O)c1cc3occc3s1)C[C@H]2C(=O)[O-] ZINC001601778099 1350362646 /nfs/dbraw/zinc/36/26/46/1350362646.db2.gz CDHUNLUKFQOOJN-OYNLBEDRSA-N -2 0 349.364 2.132 20 0 EEADRL O=C([O-])C1CC2(C1)CN(c1nccc3ccccc31)C[C@H]2C(=O)[O-] ZINC001601779364 1350363105 /nfs/dbraw/zinc/36/31/05/1350363105.db2.gz GRDRGSGTCIITJO-FHBSJOOWSA-N -2 0 326.352 2.237 20 0 EEADRL O=C([O-])[C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c2ccccc21 ZINC001601802508 1350367617 /nfs/dbraw/zinc/36/76/17/1350367617.db2.gz ZYQPITPATGQVEM-IDTSFGKNSA-N -2 0 331.368 2.307 20 0 EEADRL O=C([O-])CCc1csc([N-]S(=O)(=O)Cc2ccccc2)n1 ZINC001602048045 1350426872 /nfs/dbraw/zinc/42/68/72/1350426872.db2.gz VHYHUTAXWCJTPR-UHFFFAOYSA-N -2 0 326.399 2.102 20 0 EEADRL O=C([O-])COc1ccc([N-]S(=O)(=O)c2cccc(F)c2F)cc1 ZINC001602090980 1350435210 /nfs/dbraw/zinc/43/52/10/1350435210.db2.gz DJUHAZCNXVITRT-UHFFFAOYSA-N -2 0 343.307 2.229 20 0 EEADRL O=C([O-])Cc1ccc(NC(=O)[C@@H]2C[C@@]2(C(=O)[O-])c2ccccc2)cc1 ZINC001602125354 1350445211 /nfs/dbraw/zinc/44/52/11/1350445211.db2.gz BLSBHDKPSAKVCU-HNAYVOBHSA-N -2 0 339.347 2.295 20 0 EEADRL O=C([O-])c1cc(C(=O)Nc2cc(Br)ccc2O)on1 ZINC001602248094 1350475895 /nfs/dbraw/zinc/47/58/95/1350475895.db2.gz YYDOHBFODPXJSW-UHFFFAOYSA-N -2 0 327.090 2.093 20 0 EEADRL O=C([O-])c1cn(-c2cccc(NC(=O)c3ccc(F)cc3[O-])c2)nn1 ZINC001602495886 1350532601 /nfs/dbraw/zinc/53/26/01/1350532601.db2.gz VVYAPUZTOPVCBW-UHFFFAOYSA-N -2 0 342.286 2.063 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)n2)c1 ZINC001602559501 1350546670 /nfs/dbraw/zinc/54/66/70/1350546670.db2.gz OTNLOKAUBTZWNY-UHFFFAOYSA-N -2 0 337.140 2.480 20 0 EEADRL CC(C)CC1(C(=O)N2C[C@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)CCC1 ZINC001603783371 1350766696 /nfs/dbraw/zinc/76/66/96/1350766696.db2.gz YQAUWYYZFAFETB-YNAXMUEKSA-N -2 0 337.416 2.227 20 0 EEADRL CC(C)c1sc([N-]S(=O)(=O)c2cscn2)nc1C(=O)[O-] ZINC001604030974 1350834984 /nfs/dbraw/zinc/83/49/84/1350834984.db2.gz AGHJWPCODJVVSV-UHFFFAOYSA-N -2 0 333.416 2.222 20 0 EEADRL CCC[C@H](C)C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)C(=O)[O-] ZINC001605205699 1351102745 /nfs/dbraw/zinc/10/27/45/1351102745.db2.gz AXDQNWGIDWRHCX-WPRPVWTQSA-N -2 0 349.430 2.004 20 0 EEADRL CCCn1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1C1CC1 ZINC001605391864 1351152238 /nfs/dbraw/zinc/15/22/38/1351152238.db2.gz KFXKZNBHPNRXLU-UHFFFAOYSA-N -2 0 339.373 2.263 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2C)nc1C ZINC001605924933 1351255187 /nfs/dbraw/zinc/25/51/87/1351255187.db2.gz NTOQRTWHXOEVBU-UHFFFAOYSA-N -2 0 341.364 2.158 20 0 EEADRL CO[C@H](CS(=O)(=O)[N-]c1nc(C(=O)[O-])c(C(C)C)s1)C1CC1 ZINC001606682707 1351341751 /nfs/dbraw/zinc/34/17/51/1351341751.db2.gz IWJUVIVMLBXOCB-SECBINFHSA-N -2 0 348.446 2.131 20 0 EEADRL C[C@H]1CN(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)C[C@]1(C)C(=O)[O-] ZINC001607471013 1351498634 /nfs/dbraw/zinc/49/86/34/1351498634.db2.gz RCLSFPARXSPAHN-UZXXROKESA-N -2 0 346.383 2.052 20 0 EEADRL Cc1cc(C=O)c([O-])c(C(=O)N2CCc3c2cccc3C(=O)[O-])c1 ZINC001607633340 1351529600 /nfs/dbraw/zinc/52/96/00/1351529600.db2.gz LMKWQTULUSFRRM-UHFFFAOYSA-N -2 0 325.320 2.414 20 0 EEADRL Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1C ZINC001607839638 1351568937 /nfs/dbraw/zinc/56/89/37/1351568937.db2.gz SBNIEGGLUFSUAD-UHFFFAOYSA-N -2 0 339.394 2.182 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2cnn(C)c2C(F)F)c1C(=O)[O-] ZINC001607863275 1351573688 /nfs/dbraw/zinc/57/36/88/1351573688.db2.gz UYPWWGJRYCIQNG-UHFFFAOYSA-N -2 0 345.327 2.165 20 0 EEADRL O=C([O-])[C@@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])c1ccsc1 ZINC001608390975 1351684788 /nfs/dbraw/zinc/68/47/88/1351684788.db2.gz FMIBSSBJDYURHH-ZDUSSCGKSA-N -2 0 343.364 2.195 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)on1 ZINC001193964950 1368483352 /nfs/dbraw/zinc/48/33/52/1368483352.db2.gz IHXKHEQIZONQJA-UHFFFAOYSA-N -2 0 334.712 2.275 20 0 EEADRL O=C([O-])C[C@@H]1CCCN(C(=O)NCc2cccc(C(=O)[O-])c2)CC1 ZINC000840993127 1369905499 /nfs/dbraw/zinc/90/54/99/1369905499.db2.gz KFQVKLPWSKTXKV-GFCCVEGCSA-N -2 0 334.372 2.171 20 0 EEADRL COCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC000389280954 1370271718 /nfs/dbraw/zinc/27/17/18/1370271718.db2.gz HYOGGCRHGAHJID-UHFFFAOYSA-N -2 0 325.342 2.233 20 0 EEADRL CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1cc(C#N)ccc1[O-])C(=O)C2 ZINC000183350290 1405835939 /nfs/dbraw/zinc/83/59/39/1405835939.db2.gz ROAPMUPNJOZSCR-SJCJKPOMSA-N -2 0 348.424 2.401 20 0 EEADRL Nc1cccc(-c2cc3nc(NCCOP(=O)([O-])[O-])ccc3[nH]2)c1 ZINC001168585727 790513681 /nfs/dbraw/zinc/51/36/81/790513681.db2.gz DKCGEQIZFDMDHI-UHFFFAOYSA-N -2 0 348.299 2.333 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)c1 ZINC000906987475 784302187 /nfs/dbraw/zinc/30/21/87/784302187.db2.gz QVVXMEKQGDDNOB-SNVBAGLBSA-N -2 0 341.282 2.143 20 0 EEADRL CCc1cc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)nn1C ZINC000817355015 784692274 /nfs/dbraw/zinc/69/22/74/784692274.db2.gz PIZWNSKFPQXCNF-UHFFFAOYSA-N -2 0 337.401 2.098 20 0 EEADRL O=P([O-])([O-])OCCNc1ccc(OCc2ccccc2F)nc1 ZINC001168595746 791048768 /nfs/dbraw/zinc/04/87/68/791048768.db2.gz MGSILJTXUSKHMH-UHFFFAOYSA-N -2 0 342.263 2.321 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 ZINC000910184469 786516429 /nfs/dbraw/zinc/51/64/29/786516429.db2.gz RJHFWVQZPUSFIX-KBUPBQIOSA-N -2 0 337.416 2.369 20 0 EEADRL Cc1cccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1Cl ZINC000910192724 786524489 /nfs/dbraw/zinc/52/44/89/786524489.db2.gz TUZUVAZHERNPER-GXSJLCMTSA-N -2 0 325.748 2.038 20 0 EEADRL NC(=O)c1c(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)sc2c1CCC2 ZINC001176236121 798389170 /nfs/dbraw/zinc/38/91/70/798389170.db2.gz CMNAOEYWFVKPJB-UHFFFAOYSA-N -2 0 346.364 2.476 20 0 EEADRL Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000806633443 811952230 /nfs/dbraw/zinc/95/22/30/811952230.db2.gz QOIDAOOFDJOPBI-UHFFFAOYSA-N -2 0 342.760 2.248 20 0 EEADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C)nc1C ZINC000323207439 970976064 /nfs/dbraw/zinc/97/60/64/970976064.db2.gz QTRGIZOQIJDHJO-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(F)cccc2Cl)nc1 ZINC001595238015 949421652 /nfs/dbraw/zinc/42/16/52/949421652.db2.gz DRXBHGFZVHEIDS-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])CCc1cccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)c1 ZINC000325582050 951088189 /nfs/dbraw/zinc/08/81/89/951088189.db2.gz AOEFQNXFFPMHAZ-UHFFFAOYSA-N -2 0 345.380 2.381 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])c(Cl)n1 ZINC001594380037 958617546 /nfs/dbraw/zinc/61/75/46/958617546.db2.gz RMGSLXVPLFNWHN-UHFFFAOYSA-N -2 0 340.788 2.471 20 0 EEADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2cccc3c2N=S=N3)c1 ZINC000316285087 963998966 /nfs/dbraw/zinc/99/89/66/963998966.db2.gz UKIBNALACFKXJF-UHFFFAOYSA-N -2 0 336.354 2.307 20 0 EEADRL Cc1csc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000317502482 970365469 /nfs/dbraw/zinc/36/54/69/970365469.db2.gz CVOAXCFCIOJXNW-UHFFFAOYSA-N -2 0 342.354 2.464 20 0 EEADRL CC(C)([N-]C(=O)C(F)(F)F)c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC001609789369 970528108 /nfs/dbraw/zinc/52/81/08/970528108.db2.gz MLAHMDQNOGBCIT-UHFFFAOYSA-N -2 0 343.261 2.348 20 0 EEADRL CN(C)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1 ZINC000319483394 970540031 /nfs/dbraw/zinc/54/00/31/970540031.db2.gz BSGCCBILNYQNJC-UHFFFAOYSA-N -2 0 338.360 2.391 20 0 EEADRL O=C([O-])[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccccc1 ZINC000319969614 970595571 /nfs/dbraw/zinc/59/55/71/970595571.db2.gz IGRDSFUTMSIGMY-GFCCVEGCSA-N -2 0 325.242 2.365 20 0 EEADRL O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1cccc2c1OCC2 ZINC001606320649 973738908 /nfs/dbraw/zinc/73/89/08/973738908.db2.gz NYEADNISEPNZRX-UHFFFAOYSA-N -2 0 333.365 2.049 20 0 EEADRL CC(C)Oc1c(NC(=O)N(C)C[C@@H](C)C(=O)[O-])cccc1C(=O)[O-] ZINC001591741553 975756016 /nfs/dbraw/zinc/75/60/16/975756016.db2.gz LQGJBGJTPPKCAH-SNVBAGLBSA-N -2 0 338.360 2.356 20 0 EEADRL CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])o1 ZINC001595363707 980785716 /nfs/dbraw/zinc/78/57/16/980785716.db2.gz JHDDMOJOJDBIEK-CYBMUJFWSA-N -2 0 337.353 2.189 20 0 EEADRL CCCC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001595631396 981837460 /nfs/dbraw/zinc/83/74/60/981837460.db2.gz OEHXVXLUEKOVQV-NSHDSACASA-N -2 0 327.402 2.157 20 0 EEADRL CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001595632474 981855321 /nfs/dbraw/zinc/85/53/21/981855321.db2.gz ZFHUWONDWUYFEK-JTQLQIEISA-N -2 0 331.390 2.308 20 0 EEADRL CCC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC001594809498 981927252 /nfs/dbraw/zinc/92/72/52/981927252.db2.gz XCWYNAVTZIPDIL-UHFFFAOYSA-N -2 0 327.402 2.324 20 0 EEADRL CCCc1c(C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)[nH]c(C)c1C(=O)[O-] ZINC001596030258 983298052 /nfs/dbraw/zinc/29/80/52/983298052.db2.gz HPLZHROXZGFNDM-SKDRFNHKSA-N -2 0 336.388 2.157 20 0 EEADRL CCCc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2CC)s1 ZINC001596095778 983418555 /nfs/dbraw/zinc/41/85/55/983418555.db2.gz UCYGCEGLHPMDOG-UHFFFAOYSA-N -2 0 345.402 2.145 20 0 EEADRL CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC001589636150 987551194 /nfs/dbraw/zinc/55/11/94/987551194.db2.gz CWYHSTMFQBFCPP-LLVKDONJSA-N -2 0 334.372 2.377 20 0 EEADRL CCc1onc(C)c1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001597816314 989446309 /nfs/dbraw/zinc/44/63/09/989446309.db2.gz SQFNCPRUIWDCHP-UHFFFAOYSA-N -2 0 342.348 2.112 20 0 EEADRL CC(C)(NCc1nc(=O)c2sccc2[n-]1)c1cc(C(=O)[O-])on1 ZINC001590874589 990784171 /nfs/dbraw/zinc/78/41/71/990784171.db2.gz GWBZSRGHSSUBQK-UHFFFAOYSA-N -2 0 334.357 2.108 20 0 EEADRL COc1ccccc1S(=O)(=O)[N-]c1cc(C)c(C(=O)[O-])c(C)n1 ZINC001599718007 991489471 /nfs/dbraw/zinc/48/94/71/991489471.db2.gz CJFTZFSINWFNNZ-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL CC(C)CC(C)(C)CNC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC001591124661 991817458 /nfs/dbraw/zinc/81/74/58/991817458.db2.gz XRIJMLLJPQGDJM-NWDGAFQWSA-N -2 0 328.409 2.018 20 0 EEADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001599582969 993575498 /nfs/dbraw/zinc/57/54/98/993575498.db2.gz LARKSULWGHTDTG-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL COCc1cccc([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)c1 ZINC001599297423 997170991 /nfs/dbraw/zinc/17/09/91/997170991.db2.gz NMSKESMCFNMHBX-UHFFFAOYSA-N -2 0 336.369 2.035 20 0 EEADRL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])n(C)c1 ZINC001599579895 998510973 /nfs/dbraw/zinc/51/09/73/998510973.db2.gz LCVDYPZCWWQPHH-UHFFFAOYSA-N -2 0 344.776 2.186 20 0 EEADRL COc1ccc(C(=O)COc2ccc(C(=O)[O-])cc2)c2occ([O-])c21 ZINC001599479046 998578743 /nfs/dbraw/zinc/57/87/43/998578743.db2.gz HWGRHAQRFIFHOW-UHFFFAOYSA-N -2 0 342.303 2.230 20 0 EEADRL C[C@H]1CCCC[C@H]1CC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001594364317 999376687 /nfs/dbraw/zinc/37/66/87/999376687.db2.gz YHNRALVTTHIZEM-UWVGGRQHSA-N -2 0 345.442 2.468 20 0 EEADRL CC(C)Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cn1 ZINC000266597532 248377035 /nfs/dbraw/zinc/37/70/35/248377035.db2.gz OZFSYMFCFMINSG-UHFFFAOYSA-N -2 0 341.364 2.177 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc2n[nH]cc21 ZINC000346482454 161375995 /nfs/dbraw/zinc/37/59/95/161375995.db2.gz NBBRNTKCKVFWIL-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL CCc1ncc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])s1 ZINC000359105447 164060348 /nfs/dbraw/zinc/06/03/48/164060348.db2.gz OLQXZJPJNYXHAY-UHFFFAOYSA-N -2 0 330.362 2.344 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c(F)cc1F ZINC000436994880 315021660 /nfs/dbraw/zinc/02/16/60/315021660.db2.gz OJPLGPBSKKLNLY-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1 ZINC000341363048 465130912 /nfs/dbraw/zinc/13/09/12/465130912.db2.gz PVSLALDGHVQASJ-UHFFFAOYSA-N -2 0 335.337 2.192 20 0 EEADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000339416851 465255438 /nfs/dbraw/zinc/25/54/38/465255438.db2.gz RDIKTDRNODXSLH-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL Cc1nc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)s1 ZINC000176435909 464774001 /nfs/dbraw/zinc/77/40/01/464774001.db2.gz PHRHCDPBYWBEHD-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL CC(C)n1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])cn1 ZINC000356725191 465507772 /nfs/dbraw/zinc/50/77/72/465507772.db2.gz WAEDTRNJYFUIIA-UHFFFAOYSA-N -2 0 345.327 2.241 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc3c2OCO3)cc1F ZINC000337864705 465640114 /nfs/dbraw/zinc/64/01/14/465640114.db2.gz NQDJKDNPQILCED-UHFFFAOYSA-N -2 0 339.300 2.053 20 0 EEADRL CC(C)n1cnc(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)c1 ZINC000338222185 465915084 /nfs/dbraw/zinc/91/50/84/465915084.db2.gz WSPAQKMTXZCQHY-UHFFFAOYSA-N -2 0 348.384 2.444 20 0 EEADRL CCc1noc2ncc(S(=O)(=O)[N-]c3ccccc3C(=O)[O-])cc12 ZINC000357897208 466301508 /nfs/dbraw/zinc/30/15/08/466301508.db2.gz VOXOCFAPAPJXEN-UHFFFAOYSA-N -2 0 347.352 2.284 20 0 EEADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000315426142 466560672 /nfs/dbraw/zinc/56/06/72/466560672.db2.gz KDROKHQRHRFPIF-UHFFFAOYSA-N -3 0 345.329 2.084 20 0 EEADRL Cc1ccc(F)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000319919292 466601155 /nfs/dbraw/zinc/60/11/55/466601155.db2.gz ADKUFSFEERUHOZ-CQSZACIVSA-N -2 0 337.372 2.108 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2cc[nH]n2)cc1 ZINC000324764513 466649059 /nfs/dbraw/zinc/64/90/59/466649059.db2.gz BEJSQGFPXJUYEY-UHFFFAOYSA-N -2 0 347.352 2.477 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)c(C(=O)[O-])c1 ZINC000325415626 466657776 /nfs/dbraw/zinc/65/77/76/466657776.db2.gz VHRRZGKEZDAKIF-UHFFFAOYSA-N -2 0 347.352 2.071 20 0 EEADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c[nH]nc2c1 ZINC000388193497 467395496 /nfs/dbraw/zinc/39/54/96/467395496.db2.gz NLADFOZYWAMZHL-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL Cc1cc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])no1 ZINC000514993457 467966810 /nfs/dbraw/zinc/96/68/10/467966810.db2.gz LWMFXUZNDFAWJB-UHFFFAOYSA-N -2 0 336.291 2.186 20 0 EEADRL COc1ccc(O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000489612736 468154475 /nfs/dbraw/zinc/15/44/75/468154475.db2.gz SKUHAILVVLOJKR-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL CC[C@@H](NC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-])C(=O)[O-] ZINC000562352030 468941613 /nfs/dbraw/zinc/94/16/13/468941613.db2.gz APRFWGXVLPEZLU-CYBMUJFWSA-N -2 0 331.372 2.294 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])CCCC3)n1C ZINC000629300006 469495007 /nfs/dbraw/zinc/49/50/07/469495007.db2.gz BCWFILSSMNZLEH-UHFFFAOYSA-N -2 0 349.412 2.106 20 0 EEADRL CO[C@H](C)c1nc(=NC(=O)c2cc(SC)ccc2[O-])s[n-]1 ZINC000622019318 470149277 /nfs/dbraw/zinc/14/92/77/470149277.db2.gz SNMGQFIBOPHSFF-SSDOTTSWSA-N -2 0 325.415 2.347 20 0 EEADRL O=C([O-])Nc1ccc(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)cc1 ZINC000738659798 578023105 /nfs/dbraw/zinc/02/31/05/578023105.db2.gz DTENERWLVUQTRN-UHFFFAOYSA-N -2 0 340.295 2.372 20 0 EEADRL COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000043317972 599738228 /nfs/dbraw/zinc/73/82/28/599738228.db2.gz HDTUQAIIFPPLNG-UHFFFAOYSA-N -2 0 331.733 2.441 20 0 EEADRL CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)cc1 ZINC000321333131 600530303 /nfs/dbraw/zinc/53/03/03/600530303.db2.gz UMBIKPMJJDPUKK-LLVKDONJSA-N -2 0 337.401 2.282 20 0 EEADRL O=C([O-])c1cc(Cl)cc([N-]S(=O)(=O)c2cncc(F)c2)c1 ZINC000166564319 600637121 /nfs/dbraw/zinc/63/71/21/600637121.db2.gz UPCOAMMOQXJFDX-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2nc(C(C)(C)C)cs2)cc1C(=O)[O-] ZINC000386150717 600827060 /nfs/dbraw/zinc/82/70/60/600827060.db2.gz ZYPPZABOABEMJE-UHFFFAOYSA-N -2 0 343.430 2.278 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c(C)c1 ZINC000832413233 601232914 /nfs/dbraw/zinc/23/29/14/601232914.db2.gz LBCRASKJEFVWBF-UHFFFAOYSA-N -2 0 325.342 2.404 20 0 EEADRL CCCCC[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000829339142 601404667 /nfs/dbraw/zinc/40/46/67/601404667.db2.gz DMMGPBYRZMTLFG-NSHDSACASA-N -2 0 339.335 2.416 20 0 EEADRL CC(C)CN(CCC(=O)[O-])C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000826876202 601756321 /nfs/dbraw/zinc/75/63/21/601756321.db2.gz VYTPVHFUZVCHIV-UHFFFAOYSA-N -2 0 349.362 2.290 20 0 EEADRL CC(C)CC1(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)CCC1 ZINC000826826487 601769634 /nfs/dbraw/zinc/76/96/34/601769634.db2.gz KSRQYXXCJZKXBK-UHFFFAOYSA-N -2 0 339.413 2.406 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2csnc2C(=O)[O-])cc1Cl ZINC000832468760 602155792 /nfs/dbraw/zinc/15/57/92/602155792.db2.gz OFABMRVTGZYCPJ-UHFFFAOYSA-N -2 0 348.789 2.304 20 0 EEADRL COc1ccc(O)c([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])c1 ZINC000832424386 602309834 /nfs/dbraw/zinc/30/98/34/602309834.db2.gz BUPWUBICXQIDIG-UHFFFAOYSA-N -2 0 341.341 2.110 20 0 EEADRL COc1cc(OC)cc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])c1 ZINC000832095547 604633998 /nfs/dbraw/zinc/63/39/98/604633998.db2.gz BUMIBZCHWNORMS-UHFFFAOYSA-N -2 0 343.382 2.264 20 0 EEADRL C[C@@]1([N-]S(=O)(=O)c2c(F)cccc2F)CCCC[C@H]1C(=O)[O-] ZINC000833570379 604809014 /nfs/dbraw/zinc/80/90/14/604809014.db2.gz SEIAIPSYDNPXRY-LKFCYVNXSA-N -2 0 333.356 2.277 20 0 EEADRL O=C([O-])c1cncc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000062947029 604888969 /nfs/dbraw/zinc/88/89/69/604888969.db2.gz ZNXCIJPXWNQFDE-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1CCC(C(=O)[O-])CC1 ZINC000833549711 605119668 /nfs/dbraw/zinc/11/96/68/605119668.db2.gz RXAGIUDGJUVCSO-XGNXJENSSA-N -2 0 339.413 2.085 20 0 EEADRL O=C([O-])Nc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000833282849 606028948 /nfs/dbraw/zinc/02/89/48/606028948.db2.gz VYWJKDNHYKFJDN-CQSZACIVSA-N -2 0 328.324 2.202 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)cnn1C ZINC000178956557 683749860 /nfs/dbraw/zinc/74/98/60/683749860.db2.gz GLKZIECXPKRHNX-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc1Cl ZINC000863957397 1197936158 /nfs/dbraw/zinc/93/61/58/1197936158.db2.gz YSRDKSGXQTUDQI-NSHDSACASA-N -2 0 347.820 2.200 20 0 EEADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000863956367 1197936290 /nfs/dbraw/zinc/93/62/90/1197936290.db2.gz IZNYIZKUTBIVSN-UHFFFAOYSA-N -2 0 347.820 2.177 20 0 EEADRL Cn1c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)nc2ccccc21 ZINC001186144027 1278968551 /nfs/dbraw/zinc/96/85/51/1278968551.db2.gz TUQIBQJUEGIBCB-UHFFFAOYSA-N -2 0 349.343 2.211 20 0 EEADRL CCOCCS(=O)(=O)[N-]c1cc(Br)cc(F)c1[O-] ZINC001187286296 1279478061 /nfs/dbraw/zinc/47/80/61/1279478061.db2.gz GCSMHAGLDQHNPH-UHFFFAOYSA-N -2 0 342.186 2.072 20 0 EEADRL O=C(Nc1[nH]c(=O)nc2nc[nH]c21)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188588243 1279942018 /nfs/dbraw/zinc/94/20/18/1279942018.db2.gz JZKMNDDDBSRCMM-UHFFFAOYSA-N -2 0 339.233 2.035 20 0 EEADRL O=C(Nc1nc2c(s1)CCC2)c1ccccc1OP(=O)([O-])[O-] ZINC001189861657 1280522520 /nfs/dbraw/zinc/52/25/20/1280522520.db2.gz XRBSMXKYGWCULC-UHFFFAOYSA-N -2 0 340.297 2.356 20 0 EEADRL CC1(C)CN(C(=O)c2ccccc2OP(=O)([O-])[O-])CC(C)(C)O1 ZINC001189886933 1280563597 /nfs/dbraw/zinc/56/35/97/1280563597.db2.gz KHHFNMCHURHWFS-UHFFFAOYSA-N -2 0 343.316 2.188 20 0 EEADRL Cc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cn1 ZINC001195195425 1283487307 /nfs/dbraw/zinc/48/73/07/1283487307.db2.gz YQMJQOIUCBDGRU-UHFFFAOYSA-N -2 0 342.323 2.476 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccnn1-c1ccccc1 ZINC001198741572 1285314206 /nfs/dbraw/zinc/31/42/06/1285314206.db2.gz PJTYGAMOCSINJX-UHFFFAOYSA-N -2 0 343.364 2.371 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc(-c2ccco2)no1 ZINC001198742107 1285316178 /nfs/dbraw/zinc/31/61/78/1285316178.db2.gz VQSICORZHOYTDH-UHFFFAOYSA-N -2 0 334.309 2.434 20 0 EEADRL O=c1nc2cc(-c3nc(-c4cccc5ccnn54)no3)ccc2c([O-])[n-]1 ZINC001217432243 1297434251 /nfs/dbraw/zinc/43/42/51/1297434251.db2.gz UVHUWHGRBSSFQE-UHFFFAOYSA-N -2 0 346.306 2.406 20 0 EEADRL O=C([O-])Cc1nccnc1-c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001243155405 1309774395 /nfs/dbraw/zinc/77/43/95/1309774395.db2.gz LCNUSLZLOABGKD-UHFFFAOYSA-N -2 0 326.230 2.488 20 0 EEADRL COc1cc(-c2ccc(P(=O)([O-])[O-])cc2)c(Cl)c(OC)n1 ZINC001245754288 1310165642 /nfs/dbraw/zinc/16/56/42/1310165642.db2.gz RNKHYCOUCMGHMA-UHFFFAOYSA-N -2 0 329.676 2.222 20 0 EEADRL O=P([O-])([O-])OCCNC(F)(F)c1cnc(Cl)c(C2CC2)c1 ZINC001157795559 1318866770 /nfs/dbraw/zinc/86/67/70/1318866770.db2.gz PLRNIMGTEGYZJR-UHFFFAOYSA-N -2 0 342.666 2.361 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc3ncoc3c2)c1 ZINC001260209047 1319831139 /nfs/dbraw/zinc/83/11/39/1319831139.db2.gz OTJSPDAVCSFABW-UHFFFAOYSA-N -2 0 336.300 2.466 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2nccc3cnccc32)c1 ZINC001260210167 1319832679 /nfs/dbraw/zinc/83/26/79/1319832679.db2.gz RCOZMSVXQFYIAX-UHFFFAOYSA-N -2 0 347.327 2.268 20 0 EEADRL CC(=O)c1cccc(O)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260227645 1319838147 /nfs/dbraw/zinc/83/81/47/1319838147.db2.gz QIFVYKXQXHQRDE-UHFFFAOYSA-N -2 0 335.337 2.094 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)C2CC3(CC3)C2)cc1Cl ZINC001602396480 1350510097 /nfs/dbraw/zinc/51/00/97/1350510097.db2.gz UVEOEDPQCQAQFD-UHFFFAOYSA-N -2 0 343.788 2.033 20 0 EEADRL O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC001608600135 1351723369 /nfs/dbraw/zinc/72/33/69/1351723369.db2.gz UBGSWCIBZVKFGN-KWBADKCTSA-N -2 0 332.381 2.442 20 0 EEADRL O=C([O-])[C@@H]1CCC[C@H](C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)C1 ZINC001608621330 1351727736 /nfs/dbraw/zinc/72/77/36/1351727736.db2.gz HHGQKMKQYGOMJX-YWPYICTPSA-N -2 0 331.368 2.088 20 0 EEADRL O=C([O-])[C@@H]1CCN(C(=O)c2cc(F)ccc2O)[C@@H]([C@H]2CCCO2)C1 ZINC001608632947 1351730090 /nfs/dbraw/zinc/73/00/90/1351730090.db2.gz HJVGPKHVAYLPKJ-WDBKCZKBSA-N -2 0 337.347 2.016 20 0 EEADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)CCCc1ccc2ccccc2c1 ZINC001608732663 1351751196 /nfs/dbraw/zinc/75/11/96/1351751196.db2.gz FBNBDXOZBNOCIC-UHFFFAOYSA-N -2 0 349.408 2.083 20 0 EEADRL O=C([O-])CCc1cccc(NC(=O)C2(C(=O)[O-])CCSCC2)c1 ZINC001608739227 1351752945 /nfs/dbraw/zinc/75/29/45/1351752945.db2.gz GDOXCYDVUQDIRG-UHFFFAOYSA-N -2 0 337.397 2.240 20 0 EEADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccnn2C2CCC2)cc1 ZINC001608783273 1351762038 /nfs/dbraw/zinc/76/20/38/1351762038.db2.gz FPSMBGFYDRKFLA-UHFFFAOYSA-N -2 0 335.385 2.036 20 0 EEADRL O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)C1CC(C(=O)[O-])C1 ZINC001608877339 1351784479 /nfs/dbraw/zinc/78/44/79/1351784479.db2.gz NHKTXPYPFGOVAY-UHFFFAOYSA-N -2 0 331.246 2.453 20 0 EEADRL O=C([O-])c1ccc2c(c1)CN(C(=O)[C@]1(C(=O)[O-])CC=CCC1)CC2 ZINC001608922230 1351794900 /nfs/dbraw/zinc/79/49/00/1351794900.db2.gz CKUKXVMKDOSHGE-SFHVURJKSA-N -2 0 329.352 2.081 20 0 EEADRL CC1(C)CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001609818741 1352092735 /nfs/dbraw/zinc/09/27/35/1352092735.db2.gz XZZKOSKJKQUNSW-MRVPVSSYSA-N -2 0 331.415 2.078 20 0 EEADRL CCc1nc([N-]S(=O)(=O)c2ccccc2OC)sc1C(=O)[O-] ZINC001610073435 1352156008 /nfs/dbraw/zinc/15/60/08/1352156008.db2.gz ZCCAAPXXMWZHPG-UHFFFAOYSA-N -2 0 342.398 2.213 20 0 EEADRL Cc1cc(C)c(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)s1 ZINC001610452099 1352224599 /nfs/dbraw/zinc/22/45/99/1352224599.db2.gz ALVCGJUZJAIAPU-MNOVXSKESA-N -2 0 345.442 2.061 20 0 EEADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]c2cc(C(F)(F)F)[nH]n2)cc1 ZINC001610829538 1352281991 /nfs/dbraw/zinc/28/19/91/1352281991.db2.gz DHFKPWCZUUXKMB-UHFFFAOYSA-N -2 0 349.290 2.069 20 0 EEADRL Cc1cc(C(=O)[N-]S(=O)(=O)CCC2CCCCC2)oc1C(=O)[O-] ZINC001600096561 1349970344 /nfs/dbraw/zinc/97/03/44/1349970344.db2.gz SHHTZMIVHPGFKJ-UHFFFAOYSA-N -2 0 343.401 2.316 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001600360307 1350030080 /nfs/dbraw/zinc/03/00/80/1350030080.db2.gz BWFASGMXERKCBT-DGCLKSJQSA-N -2 0 341.385 2.078 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]C(=O)CCc2ccccc2C(=O)[O-])c1 ZINC001600551552 1350080629 /nfs/dbraw/zinc/08/06/29/1350080629.db2.gz SFCOUXIKJWGPLV-UHFFFAOYSA-N -2 0 347.392 2.131 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cc2ccccn2n1 ZINC001600655544 1350109046 /nfs/dbraw/zinc/10/90/46/1350109046.db2.gz ZSVXMAQKSYJGSW-UHFFFAOYSA-N -2 0 337.382 2.203 20 0 EEADRL O=C([O-])C1CC2(C1)CN(C(=O)CCCC1CCCC1)C[C@@H]2C(=O)[O-] ZINC001601777792 1350362488 /nfs/dbraw/zinc/36/24/88/1350362488.db2.gz AAVZGJJPOXFAAJ-TXKKKEFDSA-N -2 0 337.416 2.371 20 0 EEADRL O=C([O-])C1CC2(C1)CN(C(=O)/C=C\C1CCCCC1)C[C@H]2C(=O)[O-] ZINC001601784626 1350364320 /nfs/dbraw/zinc/36/43/20/1350364320.db2.gz VRAAFHHFOZGKPX-VKKOZCGUSA-N -2 0 335.400 2.147 20 0 EEADRL O=C([O-])[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)Nc1cccc(Cl)c1 ZINC001601824281 1350373220 /nfs/dbraw/zinc/37/32/20/1350373220.db2.gz VHRPCNJJUQYMJZ-GZMMTYOYSA-N -2 0 326.736 2.122 20 0 EEADRL O=C([O-])/C=C/c1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)co1 ZINC001601870799 1350385906 /nfs/dbraw/zinc/38/59/06/1350385906.db2.gz DMAUVQDZQPGZSF-LLSFEVHBSA-N -2 0 333.340 2.093 20 0 EEADRL O=C([O-])CCCc1nnc(NC(=O)c2nc3c(s2)CCC3)s1 ZINC001602003598 1350416052 /nfs/dbraw/zinc/41/60/52/1350416052.db2.gz XQEDAKUWZVVSRT-UHFFFAOYSA-N -2 0 338.414 2.143 20 0 EEADRL O=C([O-])Cc1ccc(NC(=O)c2cc(F)cc3n[nH]nc32)cc1F ZINC001602125418 1350445266 /nfs/dbraw/zinc/44/52/66/1350445266.db2.gz FABLCKUJNXBWSH-UHFFFAOYSA-N -2 0 332.266 2.116 20 0 EEADRL O=C([O-])Cc1occc1C(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC001602155058 1350453275 /nfs/dbraw/zinc/45/32/75/1350453275.db2.gz BAESLBYSKAJPFY-UHFFFAOYSA-N -2 0 327.296 2.255 20 0 EEADRL C[C@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cnn(CC3CC3)c2)cc1 ZINC001603214065 1350663563 /nfs/dbraw/zinc/66/35/63/1350663563.db2.gz NTWVEFCVBSQHCQ-NSHDSACASA-N -2 0 349.412 2.282 20 0 EEADRL C[C@H]1CN(C(=O)Nc2cccc(CCC(=O)[O-])c2)CC[C@H]1C(=O)[O-] ZINC001604776037 1351000908 /nfs/dbraw/zinc/00/09/08/1351000908.db2.gz FFSTYNRPUVUSEQ-SMDDNHRTSA-N -2 0 334.372 2.278 20 0 EEADRL CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1C ZINC001604977078 1351043378 /nfs/dbraw/zinc/04/33/78/1351043378.db2.gz SFCVUEDKHKGYKX-QMMMGPOBSA-N -2 0 327.362 2.255 20 0 EEADRL CC[C@@H](CC(F)F)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001604983281 1351045752 /nfs/dbraw/zinc/04/57/52/1351045752.db2.gz IADFNNRCADWIKE-JTQLQIEISA-N -2 0 349.355 2.012 20 0 EEADRL CC[C@@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001605164144 1351092719 /nfs/dbraw/zinc/09/27/19/1351092719.db2.gz RXCOQACSMDANCB-ZWNOBZJWSA-N -2 0 325.386 2.016 20 0 EEADRL O=C([O-])c1cc2cccc(NC(=O)CCCc3nnn[n-]3)c2s1 ZINC001608306702 1351667783 /nfs/dbraw/zinc/66/77/83/1351667783.db2.gz PRXPXWQCSWZBPF-UHFFFAOYSA-N -2 0 331.357 2.074 20 0 EEADRL O=C([O-])C1(CCCCNC(=O)c2ccc3oc(=O)nc-3[n-]2)CCC1 ZINC001608442438 1351696301 /nfs/dbraw/zinc/69/63/01/1351696301.db2.gz HKBVWQFFZUBHMH-UHFFFAOYSA-N -2 0 333.344 2.083 20 0 EEADRL CC(=O)[N-]S(=O)(=O)c1ccc(Nc2cc(C)cc(C(=O)[O-])c2)cc1 ZINC001211542257 760371122 /nfs/dbraw/zinc/37/11/22/760371122.db2.gz FPPWBTMMMTWNMP-UHFFFAOYSA-N -2 0 348.380 2.262 20 0 EEADRL O=P([O-])([O-])OCCNc1ncnc2scc(-c3ccco3)c21 ZINC001168588980 790602377 /nfs/dbraw/zinc/60/23/77/790602377.db2.gz ATFQSGQFKAGBLL-UHFFFAOYSA-N -2 0 341.285 2.473 20 0 EEADRL Cc1ccc(Cl)cc1C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910183844 786515625 /nfs/dbraw/zinc/51/56/25/786515625.db2.gz NUOIUBXPPCENJZ-SKDRFNHKSA-N -2 0 325.748 2.038 20 0 EEADRL CC(C)(CC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1ccccc1 ZINC000910188845 786521137 /nfs/dbraw/zinc/52/11/37/786521137.db2.gz NNPKWEAURKJYIN-OCCSQVGLSA-N -2 0 333.384 2.131 20 0 EEADRL O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000386911092 789324798 /nfs/dbraw/zinc/32/47/98/789324798.db2.gz HJIDABJJROQRDX-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL COC(=O)c1cc(C)c(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn1 ZINC001176239001 798390412 /nfs/dbraw/zinc/39/04/12/798390412.db2.gz NLIJTMPPMBNNLI-UHFFFAOYSA-N -2 0 330.296 2.317 20 0 EEADRL Nc1cccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2F)c1 ZINC001212514089 803376826 /nfs/dbraw/zinc/37/68/26/803376826.db2.gz BHOOYKTVRFZPAK-UHFFFAOYSA-N -2 0 328.296 2.046 20 0 EEADRL O=C([O-])c1cccc(NC(=O)c2cc(F)c(F)c([O-])c2F)c1O ZINC000322396106 970882841 /nfs/dbraw/zinc/88/28/41/970882841.db2.gz NQJQFJJZJLNGDQ-UHFFFAOYSA-N -2 0 327.214 2.466 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ccc2c[nH]nc2c1 ZINC000389467748 972227882 /nfs/dbraw/zinc/22/78/82/972227882.db2.gz UEEZTDPKURPASH-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000038058789 957353621 /nfs/dbraw/zinc/35/36/21/957353621.db2.gz BGNHJEMYFURECO-UHFFFAOYSA-N -2 0 326.399 2.313 20 0 EEADRL Cc1nc2cc(NS(=O)(=O)c3cccc(C(=O)[O-])c3)ccc2[nH]1 ZINC000390307540 972274190 /nfs/dbraw/zinc/27/41/90/972274190.db2.gz MPLDXHKHEQTGMJ-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)s1 ZINC000081198432 957779257 /nfs/dbraw/zinc/77/92/57/957779257.db2.gz VTDYTMAYDMNNMQ-UHFFFAOYSA-N -2 0 349.393 2.433 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c(OC)c1 ZINC000314185305 963722023 /nfs/dbraw/zinc/72/20/23/963722023.db2.gz XQXQGLCWPLMKSF-UHFFFAOYSA-N -2 0 343.382 2.264 20 0 EEADRL CCCc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)n[nH]1 ZINC000317429231 970357835 /nfs/dbraw/zinc/35/78/35/970357835.db2.gz RLKTVQHZUQIQCO-UHFFFAOYSA-N -2 0 327.337 2.000 20 0 EEADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccnn1C(C)C ZINC000319538661 970546910 /nfs/dbraw/zinc/54/69/10/970546910.db2.gz MAOACWDHCZWUAF-UHFFFAOYSA-N -2 0 341.364 2.411 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000321030314 970738552 /nfs/dbraw/zinc/73/85/52/970738552.db2.gz WSSDKFSUSAVNLG-UHFFFAOYSA-N -2 0 340.288 2.233 20 0 EEADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc([C@H](C)C(=O)[O-])cc1 ZINC000396398604 972876061 /nfs/dbraw/zinc/87/60/61/972876061.db2.gz WAWTWLJKPIULGO-VIFPVBQESA-N -2 0 337.401 2.026 20 0 EEADRL CCC1(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)CCCC1 ZINC001595366437 980815205 /nfs/dbraw/zinc/81/52/05/980815205.db2.gz JRDWUYSZONRGCN-UHFFFAOYSA-N -2 0 329.374 2.062 20 0 EEADRL CCCCc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2CC)o1 ZINC001595799530 982614827 /nfs/dbraw/zinc/61/48/27/982614827.db2.gz WXUZWSRYCHHFHR-UHFFFAOYSA-N -2 0 343.361 2.067 20 0 EEADRL CC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001589254941 985887357 /nfs/dbraw/zinc/88/73/57/985887357.db2.gz PJWGNEAPAGRAHB-UHFFFAOYSA-N -2 0 334.353 2.092 20 0 EEADRL CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])c1 ZINC001589291121 986035106 /nfs/dbraw/zinc/03/51/06/986035106.db2.gz SCDQSWBTSFKXDF-UHFFFAOYSA-N -2 0 349.364 2.402 20 0 EEADRL CN(Cc1n[n-]c(=O)o1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598536239 992841705 /nfs/dbraw/zinc/84/17/05/992841705.db2.gz ANNVNEJEYUMMRW-SNVBAGLBSA-N -2 0 332.143 2.340 20 0 EEADRL COc1cc(C(=O)[O-])ccc1CCNC(=O)c1ccc(O)cc1F ZINC001599364747 998318128 /nfs/dbraw/zinc/31/81/28/998318128.db2.gz CMEMJWPCJBOSGB-UHFFFAOYSA-N -2 0 333.315 2.211 20 0 EEADRL COC(=O)c1csc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])c1 ZINC001599014193 998924791 /nfs/dbraw/zinc/92/47/91/998924791.db2.gz VNCOXAIVGJRUNS-UHFFFAOYSA-N -2 0 347.395 2.095 20 0 EEADRL C[C@@H]1CCC[C@H]1CC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001594357774 999352546 /nfs/dbraw/zinc/35/25/46/999352546.db2.gz OTUKMUZXSTWDKV-MNOVXSKESA-N -2 0 325.386 2.016 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(Cl)cn2)c1 ZINC000020304868 212117449 /nfs/dbraw/zinc/11/74/49/212117449.db2.gz BFZGEIHSVDCLAB-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL CCn1nc(C)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1C ZINC000268599423 252055770 /nfs/dbraw/zinc/05/57/70/252055770.db2.gz JJAWKINWJBGEAQ-UHFFFAOYSA-N -2 0 337.401 2.327 20 0 EEADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000194062361 160190271 /nfs/dbraw/zinc/19/02/71/160190271.db2.gz IDRHQBGOISJVRG-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])cn1 ZINC000355791991 163302902 /nfs/dbraw/zinc/30/29/02/163302902.db2.gz VFAIJNQTXXZTGW-UHFFFAOYSA-N -2 0 343.792 2.364 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cn(C)nc1C1CC1 ZINC000291013360 275261018 /nfs/dbraw/zinc/26/10/18/275261018.db2.gz CQDNYRWFOAIZRV-UHFFFAOYSA-N -2 0 335.385 2.105 20 0 EEADRL Cc1ccc(O)c(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C)c1 ZINC000293936992 293330916 /nfs/dbraw/zinc/33/09/16/293330916.db2.gz QXYZFMPAMLAOJI-ZYHUDNBSSA-N -2 0 344.333 2.372 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)ccc1F ZINC000436823011 315002340 /nfs/dbraw/zinc/00/23/40/315002340.db2.gz RXLDZGIKNIYHBT-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL Cc1cc(CS(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])on1 ZINC000548245227 318367376 /nfs/dbraw/zinc/36/73/76/318367376.db2.gz FNOODLKNYBOUHB-UHFFFAOYSA-N -2 0 328.321 2.071 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2ccc(C)o2)c(C(=O)[O-])cc1OC ZINC000358557355 465191836 /nfs/dbraw/zinc/19/18/36/465191836.db2.gz IIZDMJRBHAJZHB-UHFFFAOYSA-N -2 0 341.341 2.104 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2cccs2)c(C(=O)[O-])cc1OC ZINC000013263128 462888030 /nfs/dbraw/zinc/88/80/30/462888030.db2.gz MXKNJPKWWYUILE-UHFFFAOYSA-N -2 0 343.382 2.264 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1O ZINC000013464533 462893005 /nfs/dbraw/zinc/89/30/05/462893005.db2.gz BLUKYXJABDYHSV-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000070156570 463374391 /nfs/dbraw/zinc/37/43/91/463374391.db2.gz KWGBBHZKNAEFFZ-UHFFFAOYSA-N -2 0 331.346 2.395 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn([C@H](C)C2CC2)c1 ZINC000187721224 464154341 /nfs/dbraw/zinc/15/43/41/464154341.db2.gz FTMBMSRSMRLCIL-MRVPVSSYSA-N -2 0 339.373 2.255 20 0 EEADRL CCCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000298248713 465344338 /nfs/dbraw/zinc/34/43/38/465344338.db2.gz XUSHRMOXEXHYPM-UHFFFAOYSA-N -2 0 338.385 2.313 20 0 EEADRL COc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1O ZINC000351770186 465350712 /nfs/dbraw/zinc/35/07/12/465350712.db2.gz NDGVCRKKHXXNQL-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])cn1 ZINC000349944282 466320766 /nfs/dbraw/zinc/32/07/66/466320766.db2.gz KYQDMMHQADXITR-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL COc1ccccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1C(=O)[O-] ZINC000321181343 466618990 /nfs/dbraw/zinc/61/89/90/466618990.db2.gz ZNGWIGZQBKOERF-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL CCc1ccc(O)c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000433530645 467337999 /nfs/dbraw/zinc/33/79/99/467337999.db2.gz PGLXMRZKUHJOCB-UHFFFAOYSA-N -2 0 335.381 2.383 20 0 EEADRL C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)CC1 ZINC000650427387 470877187 /nfs/dbraw/zinc/87/71/87/470877187.db2.gz HWFCCAVOCUUJDH-ZCFIWIBFSA-N -2 0 339.747 2.150 20 0 EEADRL C[C@@H](NC(=O)N=c1ccc(C2CC2)n[n-]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653540427 471658060 /nfs/dbraw/zinc/65/80/60/471658060.db2.gz HREXJFMHJSPHRW-ADEWGFFLSA-N -2 0 332.404 2.033 20 0 EEADRL O=C([O-])COc1cccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1 ZINC000656857949 471867520 /nfs/dbraw/zinc/86/75/20/471867520.db2.gz NVPJHUXUAQZPHF-DFBGVHRSSA-N -2 0 347.367 2.008 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(O)c(C)cc1C ZINC000680809667 486052897 /nfs/dbraw/zinc/05/28/97/486052897.db2.gz KFRYSNTYQZLYQB-UHFFFAOYSA-N -2 0 325.342 2.409 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)ccc1F ZINC000738478617 578016618 /nfs/dbraw/zinc/01/66/18/578016618.db2.gz YZVHDFRBNNUOBQ-UHFFFAOYSA-N -2 0 330.362 2.019 20 0 EEADRL Cc1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c1O ZINC000754828523 577814280 /nfs/dbraw/zinc/81/42/80/577814280.db2.gz UWNUFLKXABMWDK-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL Cc1cccc(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)c1C(=O)[O-] ZINC000738746325 578025635 /nfs/dbraw/zinc/02/56/35/578025635.db2.gz WWPUWVLXIDEYEK-UHFFFAOYSA-N -2 0 349.364 2.121 20 0 EEADRL O=C([O-])c1cccc(NS(=O)(=O)Cc2ccccc2C(=O)[O-])c1 ZINC000740226918 578086347 /nfs/dbraw/zinc/08/63/47/578086347.db2.gz FSFDAVDUNDELOJ-UHFFFAOYSA-N -2 0 335.337 2.025 20 0 EEADRL O=C([O-])CCOc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000833239451 600669881 /nfs/dbraw/zinc/66/98/81/600669881.db2.gz QNUFUXQYAJBQPQ-KGLIPLIRSA-N -2 0 333.340 2.146 20 0 EEADRL CCc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)s1 ZINC000830299603 600985501 /nfs/dbraw/zinc/98/55/01/600985501.db2.gz UIGIZZXZLMARHT-UHFFFAOYSA-N -2 0 348.352 2.483 20 0 EEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc(C)c(C)s1 ZINC000387003681 601358425 /nfs/dbraw/zinc/35/84/25/601358425.db2.gz IEAPINJCJKCDLS-UHFFFAOYSA-N -2 0 342.398 2.268 20 0 EEADRL CSc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cn1 ZINC000832785149 601360278 /nfs/dbraw/zinc/36/02/78/601360278.db2.gz GUVCFEWRPQZEBM-UHFFFAOYSA-N -2 0 342.373 2.442 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)on2)cc1C(=O)[O-] ZINC000832468523 601362699 /nfs/dbraw/zinc/36/26/99/601362699.db2.gz GXZCCNWQVVJACN-UHFFFAOYSA-N -2 0 340.357 2.306 20 0 EEADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000833345865 601604206 /nfs/dbraw/zinc/60/42/06/601604206.db2.gz BCFZGRQJHBDXCD-UHFFFAOYSA-N -2 0 336.753 2.435 20 0 EEADRL Cc1cc2cccnc2c(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)c1 ZINC000832903675 601783793 /nfs/dbraw/zinc/78/37/93/601783793.db2.gz MYASTMNDANKFKK-UHFFFAOYSA-N -2 0 345.380 2.381 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c(C)n1 ZINC000832419694 601851808 /nfs/dbraw/zinc/85/18/08/601851808.db2.gz ZGASTEPRLGNIHH-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cc(F)ccc1O ZINC000833317939 602308535 /nfs/dbraw/zinc/30/85/35/602308535.db2.gz ASTUWBDUHLGELB-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL C[C@@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000828221649 602384957 /nfs/dbraw/zinc/38/49/57/602384957.db2.gz URBDYRBTCVKEIO-DGCLKSJQSA-N -2 0 339.413 2.157 20 0 EEADRL Cc1ccsc1S(=O)(=O)[N-]c1nc(CCC(=O)[O-])cs1 ZINC000832985268 604625291 /nfs/dbraw/zinc/62/52/91/604625291.db2.gz KWYHHQHMNJJCOF-UHFFFAOYSA-N -2 0 332.428 2.331 20 0 EEADRL CC(C)Oc1ccc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])cc1 ZINC000833506895 605012009 /nfs/dbraw/zinc/01/20/09/605012009.db2.gz UMIVEFIVNZDVPD-UHFFFAOYSA-N -2 0 336.369 2.368 20 0 EEADRL C[C@@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833610942 605486620 /nfs/dbraw/zinc/48/66/20/605486620.db2.gz YZBHARMWXQHPII-PSASIEDQSA-N -2 0 345.804 2.279 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncco2)c(Cl)cc1Cl ZINC001192400743 1281973757 /nfs/dbraw/zinc/97/37/57/1281973757.db2.gz HDONZZUIODJKGU-UHFFFAOYSA-N -2 0 337.140 2.480 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cn2)cc1C(=O)[O-] ZINC000319936181 1299321617 /nfs/dbraw/zinc/32/16/17/1299321617.db2.gz GLSGEEKQTGTFNO-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL COC(=O)[C@H]1CC[C@H](Oc2ccc(OP(=O)([O-])[O-])cc2)CC1 ZINC001234331338 1304876135 /nfs/dbraw/zinc/87/61/35/1304876135.db2.gz FTUVVDOWFICRCV-XYPYZODXSA-N -2 0 330.273 2.269 20 0 EEADRL O=C([O-])c1ccc(-c2ccc3c(c2)S(=O)(=O)[N-]C3=O)cc1Cl ZINC001241349868 1309471898 /nfs/dbraw/zinc/47/18/98/1309471898.db2.gz ORQBKTVFOABEOB-UHFFFAOYSA-N -2 0 337.740 2.137 20 0 EEADRL Cc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1S(C)(=O)=O ZINC001242161236 1309623964 /nfs/dbraw/zinc/62/39/64/1309623964.db2.gz RJCJFTKJCILJPB-UHFFFAOYSA-N -2 0 334.349 2.462 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cc(O[C@H]3CCOC3)ccn2)c1 ZINC001242163978 1309625088 /nfs/dbraw/zinc/62/50/88/1309625088.db2.gz VRQHSJOSZRSSEC-AWEZNQCLSA-N -2 0 329.308 2.313 20 0 EEADRL Nc1ccc(-c2cc(=O)n(-c3ccccc3S(=O)(=O)[O-])[n-]2)cc1 ZINC001245935449 1310190469 /nfs/dbraw/zinc/19/04/69/1310190469.db2.gz AHOXFKHIQGZFBH-UHFFFAOYSA-N -2 0 331.353 2.074 20 0 EEADRL O=S(=O)(Cc1ccccc1)[N-]c1ncc(Br)cc1[O-] ZINC001252806462 1317695744 /nfs/dbraw/zinc/69/57/44/1317695744.db2.gz SGZQRZKGQMUZPN-UHFFFAOYSA-N -2 0 343.202 2.492 20 0 EEADRL CC(C)n1ccc2c1nc(Cl)nc2NCCOP(=O)([O-])[O-] ZINC001157795824 1318868185 /nfs/dbraw/zinc/86/81/85/1318868185.db2.gz MQYMYDKXUFZETD-UHFFFAOYSA-N -2 0 334.700 2.187 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cncs2)c(F)cc1Cl ZINC001259212866 1319487715 /nfs/dbraw/zinc/48/77/15/1319487715.db2.gz CDMMKJNFWTVQCW-UHFFFAOYSA-N -2 0 336.753 2.435 20 0 EEADRL O=C([O-])c1ccc(CN[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)s1 ZINC001602347276 1350500808 /nfs/dbraw/zinc/50/08/08/1350500808.db2.gz RQILGBOOLSMODW-AWEZNQCLSA-N -2 0 333.365 2.297 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2ccc(C)nc2Cl)sc1C(=O)[O-] ZINC001607823433 1351565525 /nfs/dbraw/zinc/56/55/25/1351565525.db2.gz ZUWBXVACLNMKON-UHFFFAOYSA-N -2 0 347.805 2.307 20 0 EEADRL O=C([O-])[C@@H]1CCN(C(=O)c2cc(F)ccc2O)[C@H]([C@@H]2CCCO2)C1 ZINC001608632945 1351730138 /nfs/dbraw/zinc/73/01/38/1351730138.db2.gz HJVGPKHVAYLPKJ-DGFSRKRXSA-N -2 0 337.347 2.016 20 0 EEADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc2ccsc21 ZINC001609638868 1352048059 /nfs/dbraw/zinc/04/80/59/1352048059.db2.gz NLHVAHMGASWLAR-BDAKNGLRSA-N -2 0 341.410 2.070 20 0 EEADRL CC(C)(C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])C1CCC1 ZINC001609647626 1352049768 /nfs/dbraw/zinc/04/97/68/1352049768.db2.gz AIIZUIFCSHCNCI-UHFFFAOYSA-N -2 0 331.415 2.078 20 0 EEADRL CC(C)c1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)s1 ZINC001609722607 1352068836 /nfs/dbraw/zinc/06/88/36/1352068836.db2.gz RFYPBSHSNRSWGP-UHFFFAOYSA-N -2 0 345.377 2.300 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCC[C@H](C)C1 ZINC001610581952 1352248726 /nfs/dbraw/zinc/24/87/26/1352248726.db2.gz XIIKKNIULMPIFM-GXSJLCMTSA-N -2 0 343.401 2.308 20 0 EEADRL O=C([O-])c1ncc([N-]S(=O)(=O)c2ccccc2F)cc1Cl ZINC001610869949 1352288499 /nfs/dbraw/zinc/28/84/99/1352288499.db2.gz NMIXFIHBVUJVSL-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL CC(C)(C)c1ccc(-c2nn[nH]n2)c(NC[C@@H](C(=O)[O-])C2CCC2)n1 ZINC001589222398 1348971777 /nfs/dbraw/zinc/97/17/77/1348971777.db2.gz XSOWSKWNNAHCPI-GFCCVEGCSA-N -2 0 344.419 2.472 20 0 EEADRL Cc1c(/C=C/c2ncc(C(=O)[O-])c(C(C)C)n2)c(C(=O)[O-])nn1C ZINC001600009181 1349954561 /nfs/dbraw/zinc/95/45/61/1349954561.db2.gz HYICEKSSKTYYOH-AATRIKPKSA-N -2 0 330.344 2.209 20 0 EEADRL Cc1cc(C([O-])=C[S@](=O)Cc2ccccc2C(=O)[O-])c(C)n1C ZINC001600076905 1349966551 /nfs/dbraw/zinc/96/65/51/1349966551.db2.gz HDXYVFSMWRUFBN-HSZRJFAPSA-N -2 0 333.409 2.472 20 0 EEADRL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])c(C)s1 ZINC001600096615 1349970346 /nfs/dbraw/zinc/97/03/46/1349970346.db2.gz VMQIHWSPRFXKKL-UHFFFAOYSA-N -2 0 345.423 2.243 20 0 EEADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(C3CC3)nn2C)c1C ZINC001600115133 1349973815 /nfs/dbraw/zinc/97/38/15/1349973815.db2.gz KQTYXIGBCMNJKP-UHFFFAOYSA-N -2 0 349.412 2.413 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1NC(=O)C(=O)[N-]OCc1ccc(F)cc1 ZINC001600117958 1349974159 /nfs/dbraw/zinc/97/41/59/1349974159.db2.gz VQWVFUKBCOCZDL-UHFFFAOYSA-N -2 0 346.314 2.019 20 0 EEADRL Cc1cccc(NS(=O)(=O)Cc2cccc(C(=O)[O-])c2)c1C(=O)[O-] ZINC001600542370 1350078091 /nfs/dbraw/zinc/07/80/91/1350078091.db2.gz KGRDRYJOYSMHBW-UHFFFAOYSA-N -2 0 349.364 2.333 20 0 EEADRL Cc1csc(NC(=O)CCc2c(C)nc(C)[nH]c2=O)c1C(=O)[O-] ZINC001600692851 1350117543 /nfs/dbraw/zinc/11/75/43/1350117543.db2.gz XDTPLCICGBKWLW-UHFFFAOYSA-N -2 0 335.385 2.438 20 0 EEADRL Cc1oc(C(=O)[O-])cc1C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC001600824896 1350145061 /nfs/dbraw/zinc/14/50/61/1350145061.db2.gz AGYAQCIXKWYTGD-CQSZACIVSA-N -2 0 329.308 2.110 20 0 EEADRL Cc1oc2ccc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)cc2c1C ZINC001600858446 1350154051 /nfs/dbraw/zinc/15/40/51/1350154051.db2.gz WBKIXXHUSJZGPS-UHFFFAOYSA-N -2 0 349.368 2.132 20 0 EEADRL Cn1nc(C2CCCC2)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001601008606 1350188206 /nfs/dbraw/zinc/18/82/06/1350188206.db2.gz AFMVWVHADQNNCH-UHFFFAOYSA-N -2 0 339.373 2.170 20 0 EEADRL O=C([O-])[C@H](CC(F)(F)F)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC001601407750 1350277466 /nfs/dbraw/zinc/27/74/66/1350277466.db2.gz ZZKNFRULRRWHGM-ZETCQYMHSA-N -2 0 334.275 2.252 20 0 EEADRL O=C([O-])[C@@H]1CCN(C(=O)Nc2cccc(Cl)c2)[C@H](C(=O)[O-])C1 ZINC001601824282 1350373094 /nfs/dbraw/zinc/37/30/94/1350373094.db2.gz VHRPCNJJUQYMJZ-KCJUWKMLSA-N -2 0 326.736 2.122 20 0 EEADRL O=C([O-])c1coc(C(=O)COC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC001602548410 1350543739 /nfs/dbraw/zinc/54/37/39/1350543739.db2.gz OMZXXKXSNWDENF-UHFFFAOYSA-N -2 0 326.207 2.001 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]C(=O)[C@@H](F)CC2CCCCC2)c1 ZINC001602557873 1350546051 /nfs/dbraw/zinc/54/60/51/1350546051.db2.gz AWMYZNFZKLBOIO-NSHDSACASA-N -2 0 347.364 2.091 20 0 EEADRL CC(C)c1sc([N-]S(=O)(=O)c2ccns2)nc1C(=O)[O-] ZINC001604031168 1350834732 /nfs/dbraw/zinc/83/47/32/1350834732.db2.gz GQYXOIXAOYNRQQ-UHFFFAOYSA-N -2 0 333.416 2.222 20 0 EEADRL C[C@H](CCC[C@@H](C)C(=O)[O-])NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC001604132520 1350868372 /nfs/dbraw/zinc/86/83/72/1350868372.db2.gz PRPGVYVNUFXFJX-RKDXNWHRSA-N -2 0 349.430 2.004 20 0 EEADRL C[C@@H]1CCC[C@H]1CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001604727028 1350992380 /nfs/dbraw/zinc/99/23/80/1350992380.db2.gz UEFXUAHUJULQIY-BDAKNGLRSA-N -2 0 331.415 2.078 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)nn(CC)c1C ZINC001605884912 1351245909 /nfs/dbraw/zinc/24/59/09/1351245909.db2.gz FEDRRNRWLBAICY-UHFFFAOYSA-N -2 0 341.389 2.174 20 0 EEADRL O=S(=O)([N-]c1ccc(Cl)cc1F)c1ccc(-c2nnn[n-]2)o1 ZINC001607068563 1351406726 /nfs/dbraw/zinc/40/67/26/1351406726.db2.gz FBMXKZXZAAPQKP-UHFFFAOYSA-N -2 0 343.727 2.053 20 0 EEADRL Cc1c(NC(=O)c2cc(F)cc(Cl)c2[O-])cnn1CC(=O)[O-] ZINC001607549926 1351514726 /nfs/dbraw/zinc/51/47/26/1351514726.db2.gz ZRSSPHLOBSTXJZ-UHFFFAOYSA-N -2 0 327.699 2.027 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cnc3n2CCCC3)cccc1C(=O)[O-] ZINC001607554261 1351515239 /nfs/dbraw/zinc/51/52/39/1351515239.db2.gz NRAZYSHFMBRBLR-UHFFFAOYSA-N -2 0 335.385 2.027 20 0 EEADRL Cc1cnc(C(=O)Nc2cccnc2SCCC(=O)[O-])c([O-])c1 ZINC001607905979 1351583640 /nfs/dbraw/zinc/58/36/40/1351583640.db2.gz YHFGWESCUWFGBR-UHFFFAOYSA-N -2 0 333.369 2.310 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cc(O)cc(F)c2)c1C(=O)[O-] ZINC001608043096 1351612172 /nfs/dbraw/zinc/61/21/72/1351612172.db2.gz IYXWBYHPZFTCEA-UHFFFAOYSA-N -2 0 329.305 2.240 20 0 EEADRL Cn1nc(C(=O)[O-])cc1/C=C(\C(=O)[O-])c1nc(C(C)(C)C)cs1 ZINC001608143843 1351633760 /nfs/dbraw/zinc/63/37/60/1351633760.db2.gz JJVQFDICLWBNTE-UITAMQMPSA-N -2 0 335.385 2.498 20 0 EEADRL Cc1c(O)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195236340 1368508318 /nfs/dbraw/zinc/50/83/18/1368508318.db2.gz VYZFOJBTYODMQW-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL O=C(Nc1cc(=O)[n-]c(Cl)n1)c1c([O-])c(F)c(F)c(F)c1F ZINC001195290551 1368514632 /nfs/dbraw/zinc/51/46/32/1368514632.db2.gz JMZPRIZNEHUKIL-UHFFFAOYSA-N -2 0 337.616 2.350 20 0 EEADRL C[C@@H]1CCC[C@H](CC(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000828240523 761234334 /nfs/dbraw/zinc/23/43/34/761234334.db2.gz XBZMJNWBDNKPPO-ZJUUUORDSA-N -2 0 345.442 2.468 20 0 EEADRL Cc1cc(OCc2ccccc2)ncc1NCCOP(=O)([O-])[O-] ZINC001168596497 791059499 /nfs/dbraw/zinc/05/94/99/791059499.db2.gz UOWFOOQKVUAADW-UHFFFAOYSA-N -2 0 338.300 2.490 20 0 EEADRL O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000908982697 785913510 /nfs/dbraw/zinc/91/35/10/785913510.db2.gz ITFASVIQJZNZNQ-NSHDSACASA-N -2 0 327.764 2.142 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2ccc3c(c2)CCC=C3)C1 ZINC000910181658 786514300 /nfs/dbraw/zinc/51/43/00/786514300.db2.gz DAJWOAHEUMFJKX-HUUCEWRRSA-N -2 0 329.352 2.036 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000910186484 786518728 /nfs/dbraw/zinc/51/87/28/786518728.db2.gz SABSFOKJOKETLC-GXSJLCMTSA-N -2 0 345.273 2.095 20 0 EEADRL O=S(=O)([O-])c1ccc(S(=O)(=O)[O-])c(N=C2CCCCC2)c1 ZINC001175752041 798219615 /nfs/dbraw/zinc/21/96/15/798219615.db2.gz AURLVDSSDDUIRB-UHFFFAOYSA-N -2 0 333.387 2.050 20 0 EEADRL CCOC(=O)c1cccnc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176236155 798389573 /nfs/dbraw/zinc/38/95/73/798389573.db2.gz FBMZOVHAWIPYDV-UHFFFAOYSA-N -2 0 330.296 2.398 20 0 EEADRL N#Cc1cc(F)ccc1[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000321928584 970826543 /nfs/dbraw/zinc/82/65/43/970826543.db2.gz SAQLLRWMPTTZHF-UHFFFAOYSA-N -2 0 334.328 2.337 20 0 EEADRL O=C([O-])c1cc(NC(=O)c2cc(F)c(F)c([O-])c2F)ccc1O ZINC000319915280 950971539 /nfs/dbraw/zinc/97/15/39/950971539.db2.gz ARKVQVLIHIPWKA-UHFFFAOYSA-N -2 0 327.214 2.466 20 0 EEADRL O=C([O-])c1cccc(C(=O)[N-]S(=O)(=O)CC2CCCCC2)c1 ZINC000863954227 979676400 /nfs/dbraw/zinc/67/64/00/979676400.db2.gz RRFDCQLMMDGHEP-UHFFFAOYSA-N -2 0 325.386 2.025 20 0 EEADRL CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC001595748337 982418294 /nfs/dbraw/zinc/41/82/94/982418294.db2.gz WOOIGJOPHSACRT-LLVKDONJSA-N -2 0 343.401 2.042 20 0 EEADRL CC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001594931304 982562284 /nfs/dbraw/zinc/56/22/84/982562284.db2.gz KSFWGJOGFZUQCN-QMMMGPOBSA-N -2 0 333.793 2.279 20 0 EEADRL CCCc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC001596068507 983381182 /nfs/dbraw/zinc/38/11/82/983381182.db2.gz HKPCBGPRVHMMRU-UHFFFAOYSA-N -2 0 347.392 2.456 20 0 EEADRL C/C(=C/C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001588942927 984638743 /nfs/dbraw/zinc/63/87/43/984638743.db2.gz SXMJMCDJLHMRPZ-BENRWUELSA-N -2 0 345.376 2.293 20 0 EEADRL CC(=CCl)CS(=O)(=O)C=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C ZINC001588990836 984912220 /nfs/dbraw/zinc/91/22/20/984912220.db2.gz INYYJCKNARZTIU-QPJJXVBHSA-N -2 0 333.793 2.070 20 0 EEADRL CCOc1ccccc1[N-]S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001597179581 987037305 /nfs/dbraw/zinc/03/73/05/987037305.db2.gz BUVBKMYBNRVYLJ-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL CC(C)(C(=O)[O-])c1ccc(NC(=O)NCc2ncccc2O)cc1 ZINC001589638129 987559362 /nfs/dbraw/zinc/55/93/62/987559362.db2.gz WYIQNAUDHQTFMF-UHFFFAOYSA-N -2 0 329.356 2.471 20 0 EEADRL CCc1ccsc1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001597626160 988576661 /nfs/dbraw/zinc/57/66/61/988576661.db2.gz OOXPWXCJAXDZDE-UHFFFAOYSA-N -2 0 339.394 2.127 20 0 EEADRL CCc1nc([N-]S(=O)(=O)c2sccc2OC)sc1C(=O)[O-] ZINC001597685414 988833930 /nfs/dbraw/zinc/83/39/30/988833930.db2.gz OWENDJSZYDRJFC-UHFFFAOYSA-N -2 0 348.427 2.275 20 0 EEADRL CCc1ncc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])c(F)c2)s1 ZINC001597702373 988927862 /nfs/dbraw/zinc/92/78/62/988927862.db2.gz FNLHTDWNMOFELZ-UHFFFAOYSA-N -2 0 344.389 2.273 20 0 EEADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(C)cc(C)n1 ZINC001599387267 996968552 /nfs/dbraw/zinc/96/85/52/996968552.db2.gz DFNNFNDPUHCBDC-UHFFFAOYSA-N -2 0 342.398 2.268 20 0 EEADRL COCc1nc([N-]S(=O)(=O)c2cc(C)cs2)sc1C(=O)[O-] ZINC001599303678 997276287 /nfs/dbraw/zinc/27/62/87/997276287.db2.gz NEVHBZPMXMPYQF-UHFFFAOYSA-N -2 0 348.427 2.158 20 0 EEADRL COc1cc(NC(=O)c2n[n-]c3ccccc3c2=O)ccc1C(=O)[O-] ZINC001599444420 997983537 /nfs/dbraw/zinc/98/35/37/997983537.db2.gz JTPFMMJORUUJGG-UHFFFAOYSA-N -2 0 339.307 2.295 20 0 EEADRL COC(=O)c1ccc(C(=O)[O-])c(NC(=O)CC(C)(C)CC(=O)[O-])c1 ZINC001598961422 998338609 /nfs/dbraw/zinc/33/86/09/998338609.db2.gz LTNHMUPIMSKRON-UHFFFAOYSA-N -2 0 337.328 2.001 20 0 EEADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC001598967291 998445440 /nfs/dbraw/zinc/44/54/40/998445440.db2.gz ADIVEHXBPKQYIR-UHFFFAOYSA-N -2 0 349.364 2.281 20 0 EEADRL CCc1nn(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000091021789 539378134 /nfs/dbraw/zinc/37/81/34/539378134.db2.gz SDMXHEYYGMAJNR-UHFFFAOYSA-N -2 0 337.401 2.098 20 0 EEADRL COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000022021279 212271597 /nfs/dbraw/zinc/27/15/97/212271597.db2.gz SJVSIEUKXMOQJE-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL Cc1ccoc1CNS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000427252425 241397502 /nfs/dbraw/zinc/39/75/02/241397502.db2.gz WKNPOMJGARVTFY-UHFFFAOYSA-N -2 0 327.333 2.212 20 0 EEADRL CCCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC)C(=O)[O-] ZINC000262783370 245175758 /nfs/dbraw/zinc/17/57/58/245175758.db2.gz LVLZCWCZCFUKJB-JTQLQIEISA-N -2 0 335.809 2.270 20 0 EEADRL CCn1nc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])c1C ZINC000266062834 248072029 /nfs/dbraw/zinc/07/20/29/248072029.db2.gz JBLTYBILZIBODG-UHFFFAOYSA-N -2 0 337.401 2.327 20 0 EEADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000352694093 162248926 /nfs/dbraw/zinc/24/89/26/162248926.db2.gz STJCFRGXPNNFIP-UHFFFAOYSA-N -2 0 344.776 2.186 20 0 EEADRL COc1ccc(F)cc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000352697809 162249474 /nfs/dbraw/zinc/24/94/74/162249474.db2.gz IQPJITJHOQOGKZ-UHFFFAOYSA-N -2 0 344.302 2.144 20 0 EEADRL C[C@@H]1CCCc2nc(S(=O)(=O)[N-]c3ccccc3C(=O)[O-])cn21 ZINC000416405723 313214085 /nfs/dbraw/zinc/21/40/85/313214085.db2.gz CLOJPEOWJUQHLD-SNVBAGLBSA-N -2 0 335.385 2.279 20 0 EEADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1CCO2 ZINC000526038573 317109246 /nfs/dbraw/zinc/10/92/46/317109246.db2.gz WSEVDBRRWPANLK-UHFFFAOYSA-N -2 0 339.394 2.490 20 0 EEADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)cc1 ZINC000547822355 318326206 /nfs/dbraw/zinc/32/62/06/318326206.db2.gz GBDXXQBETLQQSP-UHFFFAOYSA-N -2 0 346.364 2.432 20 0 EEADRL COc1cncc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])c1 ZINC000337132826 465207869 /nfs/dbraw/zinc/20/78/69/465207869.db2.gz AOLHUUOZLWVERT-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2)c1 ZINC000076059533 462798495 /nfs/dbraw/zinc/79/84/95/462798495.db2.gz HRRLWLAZEUVNDR-UHFFFAOYSA-N -2 0 326.761 2.163 20 0 EEADRL COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1C ZINC000054797359 463262499 /nfs/dbraw/zinc/26/24/99/463262499.db2.gz QHGSWLBTFYSGOW-UHFFFAOYSA-N -2 0 349.364 2.281 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1F ZINC000159874100 463308692 /nfs/dbraw/zinc/30/86/92/463308692.db2.gz DJHZGWTYLYAESI-UHFFFAOYSA-N -2 0 331.346 2.395 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc2n(n1)CCCC2 ZINC000284957409 464405539 /nfs/dbraw/zinc/40/55/39/464405539.db2.gz CZMWKHVIOJCUKD-UHFFFAOYSA-N -2 0 335.385 2.027 20 0 EEADRL COc1cccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1O ZINC000351753759 465341456 /nfs/dbraw/zinc/34/14/56/465341456.db2.gz GUHCCHUQHRHWKE-UHFFFAOYSA-N -2 0 343.382 2.270 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cccc2c1OCCO2 ZINC000340126503 465789679 /nfs/dbraw/zinc/78/96/79/465789679.db2.gz CIXRYXBJUGJUAA-UHFFFAOYSA-N -2 0 349.364 2.265 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cc(CO)ccc2C)sc1C(=O)[O-] ZINC000353681679 466064120 /nfs/dbraw/zinc/06/41/20/466064120.db2.gz WSNLQTLEXOPTSP-UHFFFAOYSA-N -2 0 341.410 2.356 20 0 EEADRL CC(=O)c1ccsc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000427331940 467151137 /nfs/dbraw/zinc/15/11/37/467151137.db2.gz RHRBFYNAPKXIPN-UHFFFAOYSA-N -2 0 325.367 2.450 20 0 EEADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc2c1OCO2 ZINC000548868717 468150470 /nfs/dbraw/zinc/15/04/70/468150470.db2.gz ORLCJEFZABEUGL-UHFFFAOYSA-N -2 0 349.364 2.477 20 0 EEADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnoc1C1CC1 ZINC000560881482 468853238 /nfs/dbraw/zinc/85/32/38/468853238.db2.gz XCQWBOKNEBGJLS-UHFFFAOYSA-N -2 0 328.371 2.421 20 0 EEADRL Cc1oc(S(=O)(=O)N[C@H]2CCc3cc(F)ccc32)cc1C(=O)[O-] ZINC000563074696 469162752 /nfs/dbraw/zinc/16/27/52/469162752.db2.gz AUEKPQWPCAMUOQ-ZDUSSCGKSA-N -2 0 339.344 2.391 20 0 EEADRL CCOC1(CS(=O)(=O)[N-]c2cccc(Cl)c2[O-])CCOCC1 ZINC000629289065 469490093 /nfs/dbraw/zinc/49/00/93/469490093.db2.gz IBLLUYXRGKEOEI-UHFFFAOYSA-N -2 0 349.836 2.373 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c(C(=O)[O-])[nH]1 ZINC000738464055 576455695 /nfs/dbraw/zinc/45/56/95/576455695.db2.gz YZBJHBWOBSOUGZ-UHFFFAOYSA-N -2 0 329.765 2.179 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(NC(=O)[O-])c2)s1 ZINC000738651590 577056040 /nfs/dbraw/zinc/05/60/40/577056040.db2.gz CZWRISNUBRPWHF-UHFFFAOYSA-N -2 0 340.382 2.265 20 0 EEADRL O=C([O-])CCCS(=O)(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000739694995 578064462 /nfs/dbraw/zinc/06/44/62/578064462.db2.gz WOVXCNUWLPTKKO-UHFFFAOYSA-N -2 0 337.353 2.145 20 0 EEADRL O=C([O-])CCCc1nnc([N-]C(=O)c2scnc2Cl)s1 ZINC000739713166 578065196 /nfs/dbraw/zinc/06/51/96/578065196.db2.gz ZKDGIEHNWCQBKV-UHFFFAOYSA-N -2 0 332.794 2.308 20 0 EEADRL O=C([O-])Nc1cc(NC(=O)C[C@]2(C(=O)[O-])CCSC2)ccc1F ZINC000740006654 578077039 /nfs/dbraw/zinc/07/70/39/578077039.db2.gz RXVMZJSTWIPRDV-CQSZACIVSA-N -2 0 342.348 2.452 20 0 EEADRL CCc1ccc([C@@H](C)CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1 ZINC000737257885 578246531 /nfs/dbraw/zinc/24/65/31/578246531.db2.gz RSQKXPSHONHAEH-LBPRGKRZSA-N -2 0 341.429 2.053 20 0 EEADRL CN(Cc1ccc(NC(=O)c2ccc(C(=O)[O-])nc2)cc1)C(=O)[O-] ZINC000737485387 578260306 /nfs/dbraw/zinc/26/03/06/578260306.db2.gz LIKXZWPOTGUWSS-UHFFFAOYSA-N -2 0 329.312 2.142 20 0 EEADRL COc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1OC ZINC000320127654 599735712 /nfs/dbraw/zinc/73/57/12/599735712.db2.gz GAINGBILVRACHD-UHFFFAOYSA-N -2 0 341.341 2.104 20 0 EEADRL CN(C)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000038058879 600104682 /nfs/dbraw/zinc/10/46/82/600104682.db2.gz UGKUVXGITLEQON-UHFFFAOYSA-N -2 0 326.399 2.313 20 0 EEADRL Cc1ncccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000833008871 600830323 /nfs/dbraw/zinc/83/03/23/600830323.db2.gz ALKHKRKWXNLOCJ-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL C[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000828233789 600941095 /nfs/dbraw/zinc/94/10/95/600941095.db2.gz SIYNOFYAOOWHFC-RKDXNWHRSA-N -2 0 331.415 2.078 20 0 EEADRL C[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000828232326 600943396 /nfs/dbraw/zinc/94/33/96/600943396.db2.gz FXTFRDGFHBDTSC-QWRGUYRKSA-N -2 0 325.386 2.016 20 0 EEADRL C/C(=C/C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1cccc(Cl)c1 ZINC000825724291 601142589 /nfs/dbraw/zinc/14/25/89/601142589.db2.gz MBWGQLPUMJKVHR-NTMALXAHSA-N -2 0 345.804 2.054 20 0 EEADRL COc1ccc(OC)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1 ZINC000832435578 601231028 /nfs/dbraw/zinc/23/10/28/601231028.db2.gz HYBXYOXFAWAAOJ-UHFFFAOYSA-N -2 0 341.341 2.104 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2ccc(C)c3c[nH]nc32)cc1C(=O)[O-] ZINC000833030182 601233333 /nfs/dbraw/zinc/23/33/33/601233333.db2.gz SVSUIVHFXQANQB-UHFFFAOYSA-N -2 0 335.341 2.272 20 0 EEADRL COc1ccc(C)nc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000832266317 601362888 /nfs/dbraw/zinc/36/28/88/601362888.db2.gz XYJUEPPKWODSML-UXBLZVDNSA-N -2 0 348.380 2.297 20 0 EEADRL CCC1(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])CCCC1 ZINC000829038714 601769148 /nfs/dbraw/zinc/76/91/48/601769148.db2.gz FILZBAWVDUZPGB-UHFFFAOYSA-N -2 0 331.415 2.222 20 0 EEADRL CCCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)n[nH]1 ZINC000829566589 602305907 /nfs/dbraw/zinc/30/59/07/602305907.db2.gz NVLYYAQZHUEHRA-UHFFFAOYSA-N -2 0 345.327 2.139 20 0 EEADRL CC(C)(C(=O)[O-])[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccccc1 ZINC000826103544 604391504 /nfs/dbraw/zinc/39/15/04/604391504.db2.gz SBHFIWNHSAADGU-AWEZNQCLSA-N -2 0 342.351 2.362 20 0 EEADRL COC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000833721925 604720796 /nfs/dbraw/zinc/72/07/96/604720796.db2.gz HIQNPKNFANOWLB-CYBMUJFWSA-N -2 0 336.171 2.309 20 0 EEADRL CSc1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cn1 ZINC001185877189 1278845224 /nfs/dbraw/zinc/84/52/24/1278845224.db2.gz CLTUDQFURGQFKA-UHFFFAOYSA-N -2 0 339.398 2.006 20 0 EEADRL C[C@]1(F)CCN(C(=O)c2ccccc2OP(=O)([O-])[O-])C[C@H]1F ZINC001189870314 1280530027 /nfs/dbraw/zinc/53/00/27/1280530027.db2.gz DUTPDDZJUFEGIL-YPMHNXCESA-N -2 0 335.243 2.070 20 0 EEADRL CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)n1 ZINC001192116608 1281806216 /nfs/dbraw/zinc/80/62/16/1281806216.db2.gz WHGYKAOTJNIUJF-UHFFFAOYSA-N -2 0 348.380 2.102 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)ncn1C ZINC001193973726 1282799223 /nfs/dbraw/zinc/79/92/23/1282799223.db2.gz AHOQVXKCEMIRET-UHFFFAOYSA-N -2 0 347.755 2.020 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])n(CC2CCC2)n1 ZINC001198747153 1285317112 /nfs/dbraw/zinc/31/71/12/1285317112.db2.gz SLHLLDOASAQJJM-UHFFFAOYSA-N -2 0 349.412 2.491 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cccc2ccc(=O)[nH]c21 ZINC001198790286 1285336842 /nfs/dbraw/zinc/33/68/42/1285336842.db2.gz PYUNSSOTQNWCCM-UHFFFAOYSA-N -2 0 344.348 2.439 20 0 EEADRL CC(C)c1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(C(C)C)c1 ZINC001229681050 1302913937 /nfs/dbraw/zinc/91/39/37/1302913937.db2.gz UYRBVKCYPUWRLF-CYBMUJFWSA-N -2 0 346.316 2.309 20 0 EEADRL O=C([N-]CC1CCN(C(=O)c2ccc(O)cc2F)CC1)C(F)(F)F ZINC000799021435 1305135088 /nfs/dbraw/zinc/13/50/88/1305135088.db2.gz YWRBJAWIAQUKAA-UHFFFAOYSA-N -2 0 348.296 2.062 20 0 EEADRL O=P([O-])([O-])OCCNc1ccc(-c2cccc(Cl)c2)nn1 ZINC001157796141 1318867197 /nfs/dbraw/zinc/86/71/97/1318867197.db2.gz XVRXVSZOVVOVIG-UHFFFAOYSA-N -2 0 329.680 2.318 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccn(-c3ccccn3)c(=O)c2)c1 ZINC001242162848 1309623600 /nfs/dbraw/zinc/62/36/00/1309623600.db2.gz KNPHDUIAPJDRHO-UHFFFAOYSA-N -2 0 336.303 2.296 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cc(-c3nn[nH]n3)ccc2F)c1 ZINC001242162989 1309623805 /nfs/dbraw/zinc/62/38/05/1309623805.db2.gz NRSYWOGIBWCZQM-UHFFFAOYSA-N -2 0 328.259 2.069 20 0 EEADRL CS(=O)(=O)Oc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001242162865 1309624024 /nfs/dbraw/zinc/62/40/24/1309624024.db2.gz LBLFINPUHCHHDK-UHFFFAOYSA-N -2 0 336.321 2.088 20 0 EEADRL CS(=O)(=O)c1ccc(Cc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001250254393 1317228659 /nfs/dbraw/zinc/22/86/59/1317228659.db2.gz INXPSZCKQWXINE-UHFFFAOYSA-N -2 0 334.349 2.077 20 0 EEADRL Cc1nc2ccccn2c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260184040 1319818672 /nfs/dbraw/zinc/81/86/72/1319818672.db2.gz OYRUUEMTUYKPAO-UHFFFAOYSA-N -2 0 331.353 2.142 20 0 EEADRL COc1cc(Cl)ncc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260184626 1319818888 /nfs/dbraw/zinc/81/88/88/1319818888.db2.gz UFKMOFZWZYCGKH-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nccc3ccccc32)ccc1O ZINC001260391368 1319881604 /nfs/dbraw/zinc/88/16/04/1319881604.db2.gz HLVSNIDQICWUMK-UHFFFAOYSA-N -2 0 344.348 2.439 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2OCCC3)ccc1O ZINC001260400156 1319884730 /nfs/dbraw/zinc/88/47/30/1319884730.db2.gz PEGUPJNWPUSQKX-UHFFFAOYSA-N -2 0 349.364 2.216 20 0 EEADRL O=C([O-])c1cc(NC(=O)C(=O)[N-]OC2CCCC2)cc(F)c1Cl ZINC001608484218 1351702444 /nfs/dbraw/zinc/70/24/44/1351702444.db2.gz HHFBJXDVRIAWDK-UHFFFAOYSA-N -2 0 344.726 2.106 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H]1NC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC001608490403 1351703345 /nfs/dbraw/zinc/70/33/45/1351703345.db2.gz IBSXVXYEEYSVEL-MUWHJKNJSA-N -2 0 348.580 2.401 20 0 EEADRL Nc1c([N-]S(=O)(=O)c2ccc(Cl)s2)cccc1C(=O)[O-] ZINC001601209217 1350231671 /nfs/dbraw/zinc/23/16/71/1350231671.db2.gz NAVUUNCEZHXQQD-UHFFFAOYSA-N -2 0 332.790 2.483 20 0 EEADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2c[nH]nc2C2CC2)c1 ZINC001602264876 1350481693 /nfs/dbraw/zinc/48/16/93/1350481693.db2.gz XWQDJUVTVDWEOL-UHFFFAOYSA-N -2 0 341.776 2.440 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCC(F)(F)C2)oc1Cl ZINC001608860270 1351780403 /nfs/dbraw/zinc/78/04/03/1351780403.db2.gz CWDUSJXLOOLNDL-RXMQYKEDSA-N -2 0 329.708 2.097 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2ccnn2C2CCCCC2)c1 ZINC001608991323 1351809831 /nfs/dbraw/zinc/80/98/31/1351809831.db2.gz QBETWVUEACFXCU-UHFFFAOYSA-N -2 0 339.373 2.480 20 0 EEADRL CC1(C)CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001609818742 1352092838 /nfs/dbraw/zinc/09/28/38/1352092838.db2.gz XZZKOSKJKQUNSW-QMMMGPOBSA-N -2 0 331.415 2.078 20 0 EEADRL CC1(C)CCc2sc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)nc21 ZINC001609817018 1352093046 /nfs/dbraw/zinc/09/30/46/1352093046.db2.gz TZMJWYZFKPXGPW-UHFFFAOYSA-N -2 0 342.398 2.459 20 0 EEADRL CC[C@H](c1ccc(F)cc1F)S(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001609938896 1352124124 /nfs/dbraw/zinc/12/41/24/1352124124.db2.gz JXDMXRWZEWZLQO-LLVKDONJSA-N -2 0 330.312 2.311 20 0 EEADRL CCc1csc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)n1 ZINC001610069490 1352154969 /nfs/dbraw/zinc/15/49/69/1352154969.db2.gz HWJSODOCPNXPEK-UHFFFAOYSA-N -2 0 330.362 2.344 20 0 EEADRL O=C(NCCc1n[n-]c(=S)o1)c1cccc(C(F)(F)F)c1[O-] ZINC000847751865 1338285807 /nfs/dbraw/zinc/28/58/07/1338285807.db2.gz JSSUZTAHLUCIBY-UHFFFAOYSA-N -2 0 333.291 2.055 20 0 EEADRL Cc1cccc(C)c1CS(=O)(=O)[N-]C(=O)c1cccc(C(=O)[O-])c1 ZINC001610519497 1352237256 /nfs/dbraw/zinc/23/72/56/1352237256.db2.gz XYOXYXHEQPLWFH-UHFFFAOYSA-N -2 0 347.392 2.261 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)C2=CCCCCC2)s1 ZINC001610701979 1352261740 /nfs/dbraw/zinc/26/17/40/1352261740.db2.gz QVRNQEHTQBPNKI-UHFFFAOYSA-N -2 0 329.399 2.142 20 0 EEADRL O=C([O-])[C@@H]1CCN(C(=O)Nc2nc3ccccc3s2)[C@H](C(=O)[O-])C1 ZINC001610743852 1352267643 /nfs/dbraw/zinc/26/76/43/1352267643.db2.gz BZGFGSFSDPOCJZ-SCZZXKLOSA-N -2 0 349.368 2.078 20 0 EEADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]c2nccc3ccncc32)cc1 ZINC001610829873 1352281765 /nfs/dbraw/zinc/28/17/65/1352281765.db2.gz RFEMVKSWKVAYKV-UHFFFAOYSA-N -2 0 343.364 2.270 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2noc3ccccc32)c(F)c1 ZINC001610840557 1352283349 /nfs/dbraw/zinc/28/33/49/1352283349.db2.gz XBNAJCOMQOWIHI-UHFFFAOYSA-N -2 0 336.300 2.466 20 0 EEADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2nnc(C(C)C)o2)c1C ZINC001600114911 1349973847 /nfs/dbraw/zinc/97/38/47/1349973847.db2.gz AAEXUVCWBVLARR-UHFFFAOYSA-N -2 0 339.373 2.309 20 0 EEADRL Cc1cc(C)c(C(=O)N2C[C@@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)c(C)c1 ZINC001600151261 1349980806 /nfs/dbraw/zinc/98/08/06/1349980806.db2.gz MPYFYBJLDWWEQB-BIWSTMPVSA-N -2 0 345.395 2.249 20 0 EEADRL Cc1cccc(C[C@@H](CNC(=O)[C@@H](C(=O)[O-])C(C)(C)C)C(=O)[O-])c1 ZINC001600528192 1350074161 /nfs/dbraw/zinc/07/41/61/1350074161.db2.gz XONRQFKWEJPXQH-KBPBESRZSA-N -2 0 335.400 2.101 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)/C=C\C1CCCCC1 ZINC001600834369 1350147818 /nfs/dbraw/zinc/14/78/18/1350147818.db2.gz NHRVOIPZUJJDGS-FPLPWBNLSA-N -2 0 341.385 2.228 20 0 EEADRL Cc1nn(C)c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)ccc12 ZINC001600856077 1350153374 /nfs/dbraw/zinc/15/33/74/1350153374.db2.gz LZSHQXZJPIYFKZ-UHFFFAOYSA-N -2 0 349.368 2.282 20 0 EEADRL O=C([O-])c1cc(NC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)ccc1F ZINC001601603870 1350317355 /nfs/dbraw/zinc/31/73/55/1350317355.db2.gz AZXCRMIDXIODPX-UHFFFAOYSA-N -2 0 343.270 2.120 20 0 EEADRL O=C([O-])c1nsc([N-]C(=O)c2cc(-c3ccc(F)cc3)on2)n1 ZINC001601629265 1350323392 /nfs/dbraw/zinc/32/33/92/1350323392.db2.gz DWCZIOAOTIVOSI-UHFFFAOYSA-N -2 0 334.288 2.283 20 0 EEADRL O=C([O-])[C@@H]1CCN(C(=O)Nc2cccc(Cl)c2)[C@@H](C(=O)[O-])C1 ZINC001601824284 1350372851 /nfs/dbraw/zinc/37/28/51/1350372851.db2.gz VHRPCNJJUQYMJZ-LDYMZIIASA-N -2 0 326.736 2.122 20 0 EEADRL O=C([O-])/C=C\c1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC001601885940 1350390623 /nfs/dbraw/zinc/39/06/23/1350390623.db2.gz PSRYUSLPRMAVMM-YFHOEESVSA-N -2 0 347.348 2.283 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2Cl)CC1 ZINC001602213321 1350467974 /nfs/dbraw/zinc/46/79/74/1350467974.db2.gz PKDKHILBJUJPSX-MGCOHNPYSA-N -2 0 345.804 2.036 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C(F)(F)F)oc1Cl ZINC001602295392 1350487107 /nfs/dbraw/zinc/48/71/07/1350487107.db2.gz WXCYAXQFDZMQOL-UJURSFKZSA-N -2 0 347.698 2.108 20 0 EEADRL O=C([O-])c1cc2ccccc2cc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])O1 ZINC001602304538 1350489059 /nfs/dbraw/zinc/48/90/59/1350489059.db2.gz WFVRZBZECWIEMW-ZIAGYGMSSA-N -2 0 329.308 2.109 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnn(C3CCC3)c2)c(F)c1 ZINC001602402009 1350510894 /nfs/dbraw/zinc/51/08/94/1350510894.db2.gz CGOXAHPFGIMHJC-UHFFFAOYSA-N -2 0 339.348 2.246 20 0 EEADRL O=C([O-])c1cnc([N-]S(=O)(=O)c2ccc3ccccc3c2)cn1 ZINC001602536212 1350541223 /nfs/dbraw/zinc/54/12/23/1350541223.db2.gz RXWZSOACHCHIOI-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL CC(C)[C@]1(C(=O)[O-])C[C@H]1C(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001603746457 1350757337 /nfs/dbraw/zinc/75/73/37/1350757337.db2.gz VVQCQNGKCMTOOY-BJOHPYRUSA-N -2 0 327.283 2.348 20 0 EEADRL CC(C)(C(=O)[O-])[C@@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccccc1 ZINC001604499047 1350949676 /nfs/dbraw/zinc/94/96/76/1350949676.db2.gz NHQDJAGFJAFDAZ-UGSOOPFHSA-N -2 0 348.399 2.345 20 0 EEADRL CC1(C)CCC[C@](NC(=O)c2ccc3oc(=O)nc-3[n-]2)(C(=O)[O-])C1 ZINC001604529773 1350956022 /nfs/dbraw/zinc/95/60/22/1350956022.db2.gz JDAWPPQXNATQIM-MRXNPFEDSA-N -2 0 333.344 2.082 20 0 EEADRL C[C@H]1CCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001604727031 1350992365 /nfs/dbraw/zinc/99/23/65/1350992365.db2.gz UEFXUAHUJULQIY-DTWKUNHWSA-N -2 0 331.415 2.078 20 0 EEADRL CCCc1c(C(=O)NC[C@H](C(=O)[O-])C2CCC2)[nH]c(C)c1C(=O)[O-] ZINC001605364018 1351144411 /nfs/dbraw/zinc/14/44/11/1351144411.db2.gz GQSVDWKECQORQB-LBPRGKRZSA-N -2 0 336.388 2.205 20 0 EEADRL Cc1ccc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC001607763443 1351554009 /nfs/dbraw/zinc/55/40/09/1351554009.db2.gz OBVGCACONQMOBX-UHFFFAOYSA-N -2 0 339.394 2.182 20 0 EEADRL Cc1cccc(CS(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)c1 ZINC001607853891 1351571924 /nfs/dbraw/zinc/57/19/24/1351571924.db2.gz ROESMAPAMCDDSU-UHFFFAOYSA-N -2 0 326.399 2.021 20 0 EEADRL CC1(C)CCCc2c(NCCOP(=O)([O-])[O-])nc(Cl)nc21 ZINC001168589303 790630892 /nfs/dbraw/zinc/63/08/92/790630892.db2.gz FZVRHILGTAKJFR-UHFFFAOYSA-N -2 0 335.728 2.265 20 0 EEADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N(CC(=O)[O-])C3CC3)n2)c1 ZINC000908893972 785809371 /nfs/dbraw/zinc/80/93/71/785809371.db2.gz TZNWAMVFHWNXNC-UHFFFAOYSA-N -2 0 343.383 2.391 20 0 EEADRL CC[C@H](CC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000910187167 786519673 /nfs/dbraw/zinc/51/96/73/786519673.db2.gz BIZJRDUCFWIUHG-VHDGCEQUSA-N -2 0 333.384 2.347 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc3sccc3c2)C1 ZINC000910192413 786523720 /nfs/dbraw/zinc/52/37/20/786523720.db2.gz PLXFBGVPRFSMBN-RYUDHWBXSA-N -2 0 333.365 2.291 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c(O)c1 ZINC000785491578 806501345 /nfs/dbraw/zinc/50/13/45/806501345.db2.gz ZWCSYUYDAKDQED-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL O=S(=O)([O-])c1ccc(S(=O)(=O)[O-])c(Nc2ccc(F)cc2)c1 ZINC001173801518 797640994 /nfs/dbraw/zinc/64/09/94/797640994.db2.gz OKWLIGCTCXKZLO-UHFFFAOYSA-N -2 0 347.345 2.063 20 0 EEADRL CN(C)C(=O)Cc1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001176241701 798392520 /nfs/dbraw/zinc/39/25/20/798392520.db2.gz RZGIVJVRMHQGTM-UHFFFAOYSA-N -2 0 342.351 2.457 20 0 EEADRL COC(=O)c1cc(N)cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176241795 798392633 /nfs/dbraw/zinc/39/26/33/798392633.db2.gz XXIRZKPBYSZEKO-UHFFFAOYSA-N -2 0 330.296 2.195 20 0 EEADRL CSc1ncc([O-])c(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)n1 ZINC001185185188 802379697 /nfs/dbraw/zinc/37/96/97/802379697.db2.gz CCNFTQHMEPQERI-UHFFFAOYSA-N -2 0 343.368 2.048 20 0 EEADRL CC(C)(C)C[C@H]([N-]S(=O)(=O)[C@@H]1CC[C@@H]1C(=O)[O-])C(F)(F)F ZINC001465112751 804125165 /nfs/dbraw/zinc/12/51/65/804125165.db2.gz OULMUXJKLFUXEO-YIZRAAEISA-N -2 0 331.356 2.136 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2scnc2C(=O)[O-])c2cccnc12 ZINC000322313540 970872342 /nfs/dbraw/zinc/87/23/42/970872342.db2.gz ZNHVFCGZMGTLQG-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL COC(=O)c1cccc2[nH]c(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)nc21 ZINC001593897411 955833952 /nfs/dbraw/zinc/83/39/52/955833952.db2.gz NRWIXOVNRUGBJF-SNVBAGLBSA-N -2 0 333.344 2.035 20 0 EEADRL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]c1cccc(Cl)c1Cl ZINC000037731800 957322355 /nfs/dbraw/zinc/32/23/55/957322355.db2.gz HAIPPNVCYNEUAZ-UHFFFAOYSA-N -2 0 336.156 2.216 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)s1 ZINC000070165492 957662797 /nfs/dbraw/zinc/66/27/97/957662797.db2.gz IZZZZMVORCRFAJ-UHFFFAOYSA-N -2 0 327.383 2.321 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)sc1C ZINC000092114604 958158061 /nfs/dbraw/zinc/15/80/61/958158061.db2.gz ROHBYWNBCUUFMT-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL O=C([O-])C1CC2(C1)CC[C@H](CNC(=O)c1ccc([O-])c(Cl)c1)O2 ZINC001605770201 972476549 /nfs/dbraw/zinc/47/65/49/972476549.db2.gz XQIIEPOOFOEQCF-NOEPWBJOSA-N -2 0 339.775 2.188 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Cl)c2)c[nH]1 ZINC000317155696 970332135 /nfs/dbraw/zinc/33/21/35/970332135.db2.gz XNALOJUCFPWHCW-UHFFFAOYSA-N -2 0 345.720 2.075 20 0 EEADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1 ZINC000319752779 970568426 /nfs/dbraw/zinc/56/84/26/970568426.db2.gz ZFRQPZAYTZFJII-UHFFFAOYSA-N -2 0 336.325 2.023 20 0 EEADRL CC(C)Sc1ccccc1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001591829197 976090456 /nfs/dbraw/zinc/09/04/56/976090456.db2.gz HTCBWNNUMPBITK-UHFFFAOYSA-N -2 0 341.414 2.409 20 0 EEADRL O=C([O-])[C@@H]1CCN(C(=O)c2n[n-]c3ccccc3c2=O)[C@H]2CCC[C@@H]21 ZINC000864175536 979815781 /nfs/dbraw/zinc/81/57/81/979815781.db2.gz LKLPBUFDAPPUGY-GYSYKLTISA-N -2 0 341.367 2.051 20 0 EEADRL C[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593002096 980214086 /nfs/dbraw/zinc/21/40/86/980214086.db2.gz BBBCFZNERQUTEO-IEECTRCBSA-N -2 0 325.405 2.129 20 0 EEADRL C/C(=C/C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)C(C)(C)C ZINC001588942667 984638006 /nfs/dbraw/zinc/63/80/06/984638006.db2.gz QIUSYOIJUBHBMM-FLIBITNWSA-N -2 0 339.413 2.323 20 0 EEADRL CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2coc(/C=C/C(=O)[O-])c2)C1 ZINC001589612024 987471302 /nfs/dbraw/zinc/47/13/02/987471302.db2.gz OJIVBENGWSEEST-FYJFLYSWSA-N -2 0 335.356 2.340 20 0 EEADRL CC(C)(C(=O)[O-])c1cccc(OS(=O)(=O)c2cn[n-]c2Cl)c1 ZINC001589649022 987584688 /nfs/dbraw/zinc/58/46/88/987584688.db2.gz KEJGMOKWUFPIBY-UHFFFAOYSA-N -2 0 344.776 2.193 20 0 EEADRL CCc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cncc(OC)c1 ZINC001597579227 988378934 /nfs/dbraw/zinc/37/89/34/988378934.db2.gz SWHYNAPMFPYERU-UHFFFAOYSA-N -2 0 336.369 2.152 20 0 EEADRL C[C@@H]1CN(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)C[C@H]1CC(=O)[O-] ZINC001599858241 989123022 /nfs/dbraw/zinc/12/30/22/989123022.db2.gz XYQNAEASLVMQBV-FIXIBIHLSA-N -2 0 346.383 2.052 20 0 EEADRL CN(C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)cc1 ZINC001598330351 991371046 /nfs/dbraw/zinc/37/10/46/991371046.db2.gz VOMDUHFGQXDVNV-UHFFFAOYSA-N -2 0 326.399 2.313 20 0 EEADRL CC(C)C[C@@H](CNC(=O)Nc1cccc(F)c1C(=O)[O-])C(=O)[O-] ZINC001591150874 991894436 /nfs/dbraw/zinc/89/44/36/991894436.db2.gz PGSCTZRQYLIUDA-VIFPVBQESA-N -2 0 326.324 2.392 20 0 EEADRL CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001593826269 996571358 /nfs/dbraw/zinc/57/13/58/996571358.db2.gz VDLCVOBJONGUSG-UHFFFAOYSA-N -2 0 333.384 2.067 20 0 EEADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C2CC2)cn1 ZINC001599384164 996913374 /nfs/dbraw/zinc/91/33/74/996913374.db2.gz TXVLKRDPDIQULY-UHFFFAOYSA-N -2 0 348.380 2.467 20 0 EEADRL COc1cc(NC(=O)c2cccc(F)c2[O-])c(C(=O)[O-])cc1OC ZINC001599441828 997942286 /nfs/dbraw/zinc/94/22/86/997942286.db2.gz JWMJIPOZEMCDDI-UHFFFAOYSA-N -2 0 335.287 2.499 20 0 EEADRL CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1n[nH]c(C)c1[O-] ZINC001463528367 1110375977 /nfs/dbraw/zinc/37/59/77/1110375977.db2.gz WFYXDXIREWFHKJ-UHFFFAOYSA-N -2 0 347.400 2.186 20 0 EEADRL Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000021507958 212227278 /nfs/dbraw/zinc/22/72/78/212227278.db2.gz HYGRNXJQSCYGFY-UHFFFAOYSA-N -2 0 328.777 2.486 20 0 EEADRL CCn1nc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1C ZINC000266512035 248338751 /nfs/dbraw/zinc/33/87/51/248338751.db2.gz BMTOLVOZLQFDEQ-UHFFFAOYSA-N -2 0 341.364 2.158 20 0 EEADRL O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1ccc2n[nH]nc2c1 ZINC000191527538 256006067 /nfs/dbraw/zinc/00/60/67/256006067.db2.gz OVFSLLMQTUVJLK-CQSZACIVSA-N -2 0 338.367 2.164 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cnn1C ZINC000343109856 161104182 /nfs/dbraw/zinc/10/41/82/161104182.db2.gz WBJVVZCNPMYWDF-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)cc1C(=O)[O-] ZINC000346508833 161378159 /nfs/dbraw/zinc/37/81/59/161378159.db2.gz TVUBEAHNBVOJEJ-UHFFFAOYSA-N -2 0 347.352 2.179 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3c2OCO3)cc1F ZINC000359856147 164186650 /nfs/dbraw/zinc/18/66/50/164186650.db2.gz LQWYLDFSNHPZGB-UHFFFAOYSA-N -2 0 339.300 2.053 20 0 EEADRL CC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC000360501903 164324706 /nfs/dbraw/zinc/32/47/06/164324706.db2.gz ZPCNKCAXIAMMCI-UHFFFAOYSA-N -2 0 335.337 2.094 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1O ZINC000360622203 164353693 /nfs/dbraw/zinc/35/36/93/164353693.db2.gz WRTWDSRSGSEMEN-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cc(C3CC3)n(C)n2)sc1C(=O)[O-] ZINC000290607243 275222208 /nfs/dbraw/zinc/22/22/08/275222208.db2.gz ZYIDTLMJNKXLQX-UHFFFAOYSA-N -2 0 341.414 2.166 20 0 EEADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cnoc2C2CC2)c1 ZINC000414391041 313010302 /nfs/dbraw/zinc/01/03/02/313010302.db2.gz ZHXDMBWQZHVZKH-UHFFFAOYSA-N -2 0 340.332 2.499 20 0 EEADRL C[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])C1 ZINC000433524778 314780315 /nfs/dbraw/zinc/78/03/15/314780315.db2.gz LIZIWLBKRVCZTH-LLVKDONJSA-N -2 0 347.392 2.478 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)c(F)c1 ZINC000436946066 315015476 /nfs/dbraw/zinc/01/54/76/315015476.db2.gz CGYUKVLWVWFRNF-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL Cc1noc(C)c1S(=O)(=O)[N-]c1c(C)ccc(F)c1C(=O)[O-] ZINC000548533247 318394833 /nfs/dbraw/zinc/39/48/33/318394833.db2.gz FADGUKNHXUGPQW-UHFFFAOYSA-N -2 0 328.321 2.238 20 0 EEADRL Cc1cc(C)c(S(=O)(=O)NC[C@H](CC(=O)[O-])C(F)(F)F)s1 ZINC000565987348 319232077 /nfs/dbraw/zinc/23/20/77/319232077.db2.gz AFUWXKQAIVOGPE-QMMMGPOBSA-N -2 0 345.364 2.296 20 0 EEADRL C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000567638127 319399993 /nfs/dbraw/zinc/39/99/93/319399993.db2.gz NTVDUFVTACYLFW-WDEREUQCSA-N -2 0 347.346 2.042 20 0 EEADRL CCOc1ncccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000336875919 465069542 /nfs/dbraw/zinc/06/95/42/465069542.db2.gz NNOZOMOTWGZMMQ-UHFFFAOYSA-N -2 0 340.332 2.118 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c2n[nH]cc21 ZINC000063635442 462659622 /nfs/dbraw/zinc/65/96/22/462659622.db2.gz KHPPIMWSDWZEAT-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C ZINC000057115532 463453565 /nfs/dbraw/zinc/45/35/65/463453565.db2.gz YAWJEOQQPHWPFC-UHFFFAOYSA-N -2 0 335.381 2.432 20 0 EEADRL Cn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)n1 ZINC000278024423 463937879 /nfs/dbraw/zinc/93/78/79/463937879.db2.gz GROISVZFXWYUSO-UHFFFAOYSA-N -2 0 343.430 2.278 20 0 EEADRL COc1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1O ZINC000351745659 465335011 /nfs/dbraw/zinc/33/50/11/465335011.db2.gz BSXKGPCHFYTFIR-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cc(F)ccc2O)c1 ZINC000338128153 465837602 /nfs/dbraw/zinc/83/76/02/465837602.db2.gz MUYZUZKPTFTIMB-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL O=C([O-])CC1(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)CCC1 ZINC000316140101 466569269 /nfs/dbraw/zinc/56/92/69/466569269.db2.gz AUYBNINQMBCULD-UHFFFAOYSA-N -2 0 337.319 2.027 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2ccccc2F)ccc1C(=O)[O-] ZINC000320181508 466604244 /nfs/dbraw/zinc/60/42/44/466604244.db2.gz LINVBZNYIDVZOI-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL Cc1nc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)s1 ZINC000489591767 468152734 /nfs/dbraw/zinc/15/27/34/468152734.db2.gz MUEZTRKTGXCOLA-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL Cc1cccc([N-]S(=O)(=O)c2cn(C)c(C(C)C)n2)c1C(=O)[O-] ZINC000582650275 468571594 /nfs/dbraw/zinc/57/15/94/468571594.db2.gz DGWYLHLPNZTYEV-UHFFFAOYSA-N -2 0 337.401 2.351 20 0 EEADRL CCC(CC)(C(=O)[O-])C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000653284447 471567956 /nfs/dbraw/zinc/56/79/56/471567956.db2.gz GDQFNUVKUIYWHZ-UHFFFAOYSA-N -2 0 337.401 2.246 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2ccc(F)cc2C)sc1C(=O)[O-] ZINC000738231177 578005016 /nfs/dbraw/zinc/00/50/16/578005016.db2.gz RPTBJYWQPOIROE-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL Cc1ccc(CO)cc1[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000738601179 578020752 /nfs/dbraw/zinc/02/07/52/578020752.db2.gz AXVWIOODZQQXCE-UHFFFAOYSA-N -2 0 327.383 2.048 20 0 EEADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCc1ccc2ccccc2c1 ZINC000739693369 578064455 /nfs/dbraw/zinc/06/44/55/578064455.db2.gz ZDMGPWAVDAJBLI-UHFFFAOYSA-N -2 0 349.408 2.083 20 0 EEADRL C[C@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])c1ccsc1 ZINC000736215741 578188608 /nfs/dbraw/zinc/18/86/08/578188608.db2.gz NLQSGKOPPHWAHC-ZETCQYMHSA-N -2 0 345.423 2.116 20 0 EEADRL CC(C)C[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1ccccc1 ZINC000736401324 578201601 /nfs/dbraw/zinc/20/16/01/578201601.db2.gz GSJBCSHGWZVRDO-CQSZACIVSA-N -2 0 341.429 2.127 20 0 EEADRL CCn1nc(C)c([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])c1C ZINC000737311649 578249667 /nfs/dbraw/zinc/24/96/67/578249667.db2.gz CLWKTFJMYORZJU-UHFFFAOYSA-N -2 0 337.401 2.327 20 0 EEADRL O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000819626096 597315536 /nfs/dbraw/zinc/31/55/36/597315536.db2.gz HBLKHJPXRSOVRG-UHFFFAOYSA-N -2 0 326.761 2.163 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc1C(=O)[O-] ZINC000314046178 599875148 /nfs/dbraw/zinc/87/51/48/599875148.db2.gz NXPAEUVOZWCTIL-UHFFFAOYSA-N -2 0 342.354 2.464 20 0 EEADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccccc1OC ZINC000832627867 601150813 /nfs/dbraw/zinc/15/08/13/601150813.db2.gz CUHNTBOEGOJIKR-UHFFFAOYSA-N -2 0 343.382 2.264 20 0 EEADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(C(C)C)on1 ZINC000831945986 601200846 /nfs/dbraw/zinc/20/08/46/601200846.db2.gz NXQIOLIGOBKOEN-UHFFFAOYSA-N -2 0 346.386 2.367 20 0 EEADRL O=C([O-])[C@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CCO1 ZINC000819319713 601210398 /nfs/dbraw/zinc/21/03/98/601210398.db2.gz DCPTXEDWKWIASF-CYBMUJFWSA-N -2 0 335.743 2.124 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)s1 ZINC000035426836 601357311 /nfs/dbraw/zinc/35/73/11/601357311.db2.gz BMKYVIYIHJOFRC-UHFFFAOYSA-N -2 0 325.367 2.182 20 0 EEADRL COc1ccc(C)nc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000832266102 601362869 /nfs/dbraw/zinc/36/28/69/601362869.db2.gz WHTHANDRBSYEMQ-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL Cc1nc([N-]S(=O)(=O)CCc2ccccc2)sc1C(=O)[O-] ZINC000833002553 601474522 /nfs/dbraw/zinc/47/45/22/601474522.db2.gz BWUNAVQAVGTJMZ-UHFFFAOYSA-N -2 0 326.399 2.134 20 0 EEADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cccc(-n2cccc2)c1 ZINC000833346649 601835142 /nfs/dbraw/zinc/83/51/42/601835142.db2.gz UGPKAYSUMNSFRY-UHFFFAOYSA-N -2 0 349.393 2.433 20 0 EEADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cc(F)cc(Cl)c1 ZINC000833344934 601986516 /nfs/dbraw/zinc/98/65/16/601986516.db2.gz GNOPFERPYSRRQV-UHFFFAOYSA-N -2 0 336.753 2.435 20 0 EEADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c(C)c1 ZINC000833663636 605185422 /nfs/dbraw/zinc/18/54/22/605185422.db2.gz ZILZLVQQKCXBAH-UHFFFAOYSA-N -2 0 325.342 2.486 20 0 EEADRL O=c1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2F)nc(Cl)[n-]1 ZINC001190357718 1280842213 /nfs/dbraw/zinc/84/22/13/1280842213.db2.gz CVIFETGZNAZGLF-UHFFFAOYSA-N -2 0 339.682 2.054 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccno2)c(Cl)cc1Cl ZINC001192403021 1281973718 /nfs/dbraw/zinc/97/37/18/1281973718.db2.gz YUIAOKXOBHJLQL-UHFFFAOYSA-N -2 0 337.140 2.480 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)sn1 ZINC001195195176 1283487277 /nfs/dbraw/zinc/48/72/77/1283487277.db2.gz RFUZIIXVDMWJDK-UHFFFAOYSA-N -2 0 334.325 2.229 20 0 EEADRL Cn1c2ccccc2nc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198739102 1285312213 /nfs/dbraw/zinc/31/22/13/1285312213.db2.gz KRYWGRBJSYLDTG-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL COC(=O)[C@H]1CCC[C@@H](Oc2ccc(OP(=O)([O-])[O-])cc2)C1 ZINC001234333500 1304879614 /nfs/dbraw/zinc/87/96/14/1304879614.db2.gz WPCCVXQWJXIPGU-GXFFZTMASA-N -2 0 330.273 2.269 20 0 EEADRL O=C([O-])c1cc(-c2cc(C(F)(F)F)c(C(=O)[O-])nn2)cnc1F ZINC001244752957 1309980397 /nfs/dbraw/zinc/98/03/97/1309980397.db2.gz UDVQJKUQOQMFEU-UHFFFAOYSA-N -2 0 331.181 2.093 20 0 EEADRL O=S(=O)([O-])c1c([N-]S(=O)(=O)C(F)F)ccc2ccccc21 ZINC001259959391 1319755340 /nfs/dbraw/zinc/75/53/40/1319755340.db2.gz KJIVOGWJQUAUPM-UHFFFAOYSA-N -2 0 337.325 2.051 20 0 EEADRL CSc1cnc(Cl)c(C(F)(F)NCCOP(=O)([O-])[O-])c1 ZINC001157795376 1318866390 /nfs/dbraw/zinc/86/63/90/1318866390.db2.gz AEZNWVRXHFZJGJ-UHFFFAOYSA-N -2 0 348.695 2.205 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n(CC2CCC2)n1 ZINC001260184565 1319817658 /nfs/dbraw/zinc/81/76/58/1319817658.db2.gz QUAQDSVZGCVCBG-UHFFFAOYSA-N -2 0 349.412 2.491 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2O)c1 ZINC001260215735 1319833750 /nfs/dbraw/zinc/83/37/50/1319833750.db2.gz VNPOKVVVUXMGCI-UHFFFAOYSA-N -2 0 347.270 2.309 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(C3CCC3)no2)ccc1O ZINC001260393067 1319883249 /nfs/dbraw/zinc/88/32/49/1319883249.db2.gz JEGAQBCIHIVQKO-UHFFFAOYSA-N -2 0 338.341 2.147 20 0 EEADRL CCc1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c(O)c1 ZINC001260399907 1319884747 /nfs/dbraw/zinc/88/47/47/1319884747.db2.gz GVOAHHORRYDYPY-UHFFFAOYSA-N -2 0 337.353 2.159 20 0 EEADRL CCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001605254946 1351117234 /nfs/dbraw/zinc/11/72/34/1351117234.db2.gz JWIWFCGKRRMVER-SECBINFHSA-N -2 0 348.446 2.253 20 0 EEADRL CCCCc1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)nc1 ZINC001605292477 1351126694 /nfs/dbraw/zinc/12/66/94/1351126694.db2.gz BRGRAUGXTNQWLX-UHFFFAOYSA-N -2 0 341.414 2.380 20 0 EEADRL Cc1cc(OS(=O)(=O)c2cc(C(=O)[O-])n[n-]2)cc(C)c1Cl ZINC001607702283 1351542907 /nfs/dbraw/zinc/54/29/07/1351542907.db2.gz GZJYHNMFENYZDD-UHFFFAOYSA-N -2 0 330.749 2.146 20 0 EEADRL O=C([O-])C1(CS(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)CCCCC1 ZINC001608572827 1351718606 /nfs/dbraw/zinc/71/86/06/1351718606.db2.gz UGAPIKNNVUWERK-JTQLQIEISA-N -2 0 343.367 2.282 20 0 EEADRL O=C([O-])CCCOc1ccc(NC(=O)C2(C(=O)[O-])CC=CC2)cc1 ZINC001608717631 1351748278 /nfs/dbraw/zinc/74/82/78/1351748278.db2.gz LLWQPBRTWWMJRM-UHFFFAOYSA-N -2 0 333.340 2.290 20 0 EEADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2F)n1 ZINC001608787030 1351763704 /nfs/dbraw/zinc/76/37/04/1351763704.db2.gz KGORNUHSPGYKHP-UHFFFAOYSA-N -2 0 344.751 2.302 20 0 EEADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cnoc2C2CC2)c1 ZINC001608850738 1351778535 /nfs/dbraw/zinc/77/85/35/1351778535.db2.gz IDYUZUZYILZSBI-UHFFFAOYSA-N -2 0 326.305 2.190 20 0 EEADRL O=C([O-])c1cncc([N-]S(=O)(=O)c2ccc3ncccc3c2)c1 ZINC001608981770 1351807608 /nfs/dbraw/zinc/80/76/08/1351807608.db2.gz BJACBRFFIINMCB-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL C[C@H]1CCN(c2cc(C(F)(F)F)c(C(=O)[O-])cn2)C[C@@H]1C(=O)[O-] ZINC001609862343 1352105698 /nfs/dbraw/zinc/10/56/98/1352105698.db2.gz LXLKFRLPRYYYTQ-CBAPKCEASA-N -2 0 332.278 2.346 20 0 EEADRL Cc1ccc(-c2cc(C(=O)[N-]c3nc(C(=O)[O-])ns3)on2)cc1 ZINC001610479872 1352229859 /nfs/dbraw/zinc/22/98/59/1352229859.db2.gz UGKBOFUWUPQGJY-UHFFFAOYSA-N -2 0 330.325 2.452 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2cccc(N(C)C)c2)sc1C(=O)[O-] ZINC001610558273 1352244424 /nfs/dbraw/zinc/24/44/24/1352244424.db2.gz FRHBNYGZQIEGES-UHFFFAOYSA-N -2 0 341.414 2.017 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cccc3c2OCO3)c1C(=O)[O-] ZINC001610579970 1352248534 /nfs/dbraw/zinc/24/85/34/1352248534.db2.gz NUMVVVZXYGVDOE-UHFFFAOYSA-N -2 0 339.325 2.124 20 0 EEADRL Cn1ccc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])nc3)c21 ZINC001610609651 1352253499 /nfs/dbraw/zinc/25/34/99/1352253499.db2.gz LBAVBJRUCZVHEY-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cn1 ZINC001610836041 1352282595 /nfs/dbraw/zinc/28/25/95/1352282595.db2.gz UJUSCNIJVYIBIP-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL O=C([O-])c1ccc(NC(=O)N2CCC(C(=O)[O-])CC2)cc1Cl ZINC001610834140 1352282675 /nfs/dbraw/zinc/28/26/75/1352282675.db2.gz LMJIDXDTNSNWOO-UHFFFAOYSA-N -2 0 326.736 2.367 20 0 EEADRL O=C(N[C@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1)c1cccc(F)c1[O-] ZINC001587162679 1348858892 /nfs/dbraw/zinc/85/88/92/1348858892.db2.gz UJBHTXLNEFXMQY-CYBMUJFWSA-N -2 0 342.330 2.069 20 0 EEADRL CC(C)(C)c1ccc(-c2nn[nH]n2)c(NCC2(C(=O)[O-])CCC2)n1 ZINC001589220717 1348971802 /nfs/dbraw/zinc/97/18/02/1348971802.db2.gz CJBIHHDTYZKUJC-UHFFFAOYSA-N -2 0 330.392 2.226 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)n[nH]c1C(C)C ZINC001600008342 1349954232 /nfs/dbraw/zinc/95/42/32/1349954232.db2.gz DSUJGQSTCSKIDF-UHFFFAOYSA-N -2 0 341.364 2.480 20 0 EEADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cncc(Cl)n2)c1C ZINC001600115305 1349973828 /nfs/dbraw/zinc/97/38/28/1349973828.db2.gz QMOIYNUICWZRPD-UHFFFAOYSA-N -2 0 341.776 2.246 20 0 EEADRL Cc1cc(Cl)c(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])cc1C ZINC001600216786 1349995132 /nfs/dbraw/zinc/99/51/32/1349995132.db2.gz JUUVOPVGCWZHSS-NXEZZACHSA-N -2 0 347.820 2.126 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(N(C)C)c2)oc1C(=O)[O-] ZINC001600301809 1350015329 /nfs/dbraw/zinc/01/53/29/1350015329.db2.gz WQINFBJLCGFUCQ-UHFFFAOYSA-N -2 0 342.348 2.292 20 0 EEADRL Cc1ccc(-n2[n-]c(C(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)cc2=O)cc1 ZINC001600321495 1350019898 /nfs/dbraw/zinc/01/98/98/1350019898.db2.gz LBAHKUZMTSRXTG-AWEZNQCLSA-N -2 0 345.399 2.093 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])n2)c1Cl ZINC001600551020 1350079968 /nfs/dbraw/zinc/07/99/68/1350079968.db2.gz MTVZYHGHAQNBBV-UHFFFAOYSA-N -2 0 340.788 2.471 20 0 EEADRL Cc1oc(CNC(=O)N2CCC(CCC(=O)[O-])CC2)cc1C(=O)[O-] ZINC001600849567 1350151228 /nfs/dbraw/zinc/15/12/28/1350151228.db2.gz DNISLDZSJQUMSA-UHFFFAOYSA-N -2 0 338.360 2.073 20 0 EEADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)CCC2CCCC2)c1 ZINC001601263802 1350244733 /nfs/dbraw/zinc/24/47/33/1350244733.db2.gz MOTRIMPWPFQOQP-UHFFFAOYSA-N -2 0 339.413 2.301 20 0 EEADRL O=C([O-])[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1cccc(O)c1 ZINC001601398017 1350274187 /nfs/dbraw/zinc/27/41/87/1350274187.db2.gz RAIFPHUESKGVLT-GFCCVEGCSA-N -2 0 339.706 2.446 20 0 EEADRL O=C([O-])[C@@H]1[C@H](CNC(=O)c2c([O-])cc(Cl)cc2Cl)C1(F)F ZINC001601529661 1350301365 /nfs/dbraw/zinc/30/13/65/1350301365.db2.gz OXQZRZFIOYZFAJ-CDUCUWFYSA-N -2 0 340.109 2.395 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(Cl)cc2)s1 ZINC001601562351 1350306701 /nfs/dbraw/zinc/30/67/01/1350306701.db2.gz IHMSDCLEBALCCO-UHFFFAOYSA-N -2 0 345.785 2.218 20 0 EEADRL O=C([O-])C1CCC(NC(=O)Nc2ccc(F)cc2F)(C(=O)[O-])CC1 ZINC001601606494 1350318120 /nfs/dbraw/zinc/31/81/20/1350318120.db2.gz MRPCZXAMUVCBHC-UHFFFAOYSA-N -2 0 342.298 2.185 20 0 EEADRL O=C([O-])C1CC2(C1)CN(C(=O)c1cc3occc3s1)C[C@@H]2C(=O)[O-] ZINC001601778092 1350362494 /nfs/dbraw/zinc/36/24/94/1350362494.db2.gz CDHUNLUKFQOOJN-NBHZZOIYSA-N -2 0 349.364 2.132 20 0 EEADRL O=C([O-])[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c2ccccc21 ZINC001601802509 1350367924 /nfs/dbraw/zinc/36/79/24/1350367924.db2.gz ZYQPITPATGQVEM-JLUCKKNBSA-N -2 0 331.368 2.307 20 0 EEADRL O=C([O-])[C@@H]1CCCCCN1C(=O)c1ncc(Br)cc1[O-] ZINC001601816026 1350371274 /nfs/dbraw/zinc/37/12/74/1350371274.db2.gz JBYUPQQFZVXJND-VIFPVBQESA-N -2 0 343.177 2.019 20 0 EEADRL O=C([O-])[C@H]1CN(C(=O)c2cc(F)cc(F)c2[O-])Cc2ccccc21 ZINC001601846080 1350379585 /nfs/dbraw/zinc/37/95/85/1350379585.db2.gz VZFGMBAQLYCKMT-ZDUSSCGKSA-N -2 0 333.290 2.495 20 0 EEADRL O=C([O-])CC[C@@H]1CCCN(C(=O)NCC2(CC(=O)[O-])CCCC2)C1 ZINC001601975372 1350408622 /nfs/dbraw/zinc/40/86/22/1350408622.db2.gz GVJDAQSUVFRDKP-ZDUSSCGKSA-N -2 0 340.420 2.308 20 0 EEADRL O=C([O-])CCCO[N-]C(=O)C1(c2cccc(Br)c2)CC1 ZINC001601995464 1350413289 /nfs/dbraw/zinc/41/32/89/1350413289.db2.gz RZECQQBUOJUHTB-UHFFFAOYSA-N -2 0 342.189 2.393 20 0 EEADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cccc3ncccc32)n1 ZINC001602140478 1350449169 /nfs/dbraw/zinc/44/91/69/1350449169.db2.gz BINBIBUTOFXLLS-UHFFFAOYSA-N -2 0 343.364 2.058 20 0 EEADRL O=C([O-])c1cc(NC(=O)N2CCC(C(=O)[O-])CC2)cc2[nH]ccc21 ZINC001602280279 1350484760 /nfs/dbraw/zinc/48/47/60/1350484760.db2.gz QBXADNCGHSWQFJ-UHFFFAOYSA-N -2 0 331.328 2.195 20 0 EEADRL O=C([O-])c1ccc(-c2ccc(C(=O)OCc3n[nH]c(=O)[n-]3)cc2)cc1 ZINC001602308695 1350489720 /nfs/dbraw/zinc/48/97/20/1350489720.db2.gz PGLQCGPDIOETQS-UHFFFAOYSA-N -2 0 339.307 2.233 20 0 EEADRL O=C([O-])c1cncc(-c2ccc(CN3C(=O)CC[C@@H]3C(=O)[O-])cc2)c1 ZINC001602534751 1350540776 /nfs/dbraw/zinc/54/07/76/1350540776.db2.gz JQJCQFBTBXNSRA-OAHLLOKOSA-N -2 0 340.335 2.022 20 0 EEADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)/C=C\C1CCCCCC1 ZINC001603190945 1350660229 /nfs/dbraw/zinc/66/02/29/1350660229.db2.gz YURGWWCSCKEWNE-QMZLHQMTSA-N -2 0 331.434 2.068 20 0 EEADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1csc2ccccc12 ZINC001603191094 1350660023 /nfs/dbraw/zinc/66/00/23/1350660023.db2.gz ZGMFZRPLULLALJ-RKDXNWHRSA-N -2 0 341.410 2.070 20 0 EEADRL C[C@@H](Cc1ccc(NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1)C(=O)[O-] ZINC001604225329 1350897633 /nfs/dbraw/zinc/89/76/33/1350897633.db2.gz UVTQSLVLLHECQZ-APPDUMDISA-N -2 0 334.372 2.278 20 0 EEADRL CCC[C@@H](CC)C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001605207502 1351103035 /nfs/dbraw/zinc/10/30/35/1351103035.db2.gz AWIYZEYLMUASNW-GFCCVEGCSA-N -2 0 327.402 2.157 20 0 EEADRL CCc1ccc(S(=O)(=O)C=C([O-])c2cc(C(=O)[O-])[nH]c2C)cc1 ZINC001605822352 1351228806 /nfs/dbraw/zinc/22/88/06/1351228806.db2.gz BZHJCMMDVUFXDM-UHFFFAOYSA-N -2 0 335.381 2.240 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)cn2)cc1C(=O)[O-] ZINC001607289921 1351465830 /nfs/dbraw/zinc/46/58/30/1351465830.db2.gz KZHUVHGFRHHOFU-UHFFFAOYSA-N -2 0 348.380 2.467 20 0 EEADRL CSc1ccncc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC001607413691 1351490420 /nfs/dbraw/zinc/49/04/20/1351490420.db2.gz QLKSLVGYRMSLEO-UHFFFAOYSA-N -2 0 342.373 2.442 20 0 EEADRL Cc1[nH]c(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c(C)c1C(=O)[O-] ZINC001607488493 1351502998 /nfs/dbraw/zinc/50/29/98/1351502998.db2.gz FFVDKYPUZXREGS-SRVKXCTJSA-N -2 0 334.372 2.188 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cccc3nonc32)cc1C(=O)[O-] ZINC001607821786 1351565404 /nfs/dbraw/zinc/56/54/04/1351565404.db2.gz BGNGJSHBZVNYHB-UHFFFAOYSA-N -2 0 333.325 2.030 20 0 EEADRL Cc1csc(NC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1C(=O)[O-] ZINC001607931913 1351588481 /nfs/dbraw/zinc/58/84/81/1351588481.db2.gz BFAPURDYNXTAAE-VXNVDRBHSA-N -2 0 326.374 2.329 20 0 EEADRL O=C([O-])c1ccccc1CC(=O)[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC001608367770 1351680155 /nfs/dbraw/zinc/68/01/55/1351680155.db2.gz CEZFUMGSAYFMQI-ZHACJKMWSA-N -2 0 345.376 2.044 20 0 EEADRL O=C([O-])[C@H](CC1CC1)NC(=O)c1cc(Br)c(F)cc1[O-] ZINC001608392745 1351685374 /nfs/dbraw/zinc/68/53/74/1351685374.db2.gz XHAAZLHWTNQFTF-JTQLQIEISA-N -2 0 346.152 2.277 20 0 EEADRL CCOC(=O)[C@H](CC)c1ccc(NCCOP(=O)([O-])[O-])cc1 ZINC001168591614 790793823 /nfs/dbraw/zinc/79/38/23/790793823.db2.gz DUBCUGLDYLYUDQ-CYBMUJFWSA-N -2 0 331.305 2.265 20 0 EEADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CC3(C2)CCCCC3)c1 ZINC000906932260 784249917 /nfs/dbraw/zinc/24/99/17/784249917.db2.gz YRCJBYPHGDPHKS-UHFFFAOYSA-N -2 0 325.386 2.045 20 0 EEADRL C[C@H]1CCN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])[C@H](C(=O)[O-])C1 ZINC000909780776 786242220 /nfs/dbraw/zinc/24/22/20/786242220.db2.gz SFVITVKTMOHWAL-GWCFXTLKSA-N -2 0 347.346 2.042 20 0 EEADRL C/C(=C/C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000910187128 786519638 /nfs/dbraw/zinc/51/96/38/786519638.db2.gz ABJIBYKQVSMTMK-CXJYXFFVSA-N -2 0 335.331 2.005 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)nn1C ZINC000156374075 789080166 /nfs/dbraw/zinc/08/01/66/789080166.db2.gz IQRNMDLCEKFHTG-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL Cc1cn2cccc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)c2n1 ZINC001184665101 802124408 /nfs/dbraw/zinc/12/44/08/802124408.db2.gz YKLKEQVEYPJZPO-UHFFFAOYSA-N -2 0 345.380 2.450 20 0 EEADRL Cc1nc2ccccn2c1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184665148 802124844 /nfs/dbraw/zinc/12/48/44/802124844.db2.gz ZJABGZIZCUOVPL-UHFFFAOYSA-N -2 0 345.380 2.450 20 0 EEADRL O=P([O-])([O-])OCCNc1nc(Cl)nc2c(Cl)cccc12 ZINC001157788008 810360075 /nfs/dbraw/zinc/36/00/75/810360075.db2.gz VWAYNUOCLBCFPG-UHFFFAOYSA-N -2 0 338.087 2.458 20 0 EEADRL O=C([O-])C1(c2ccc(S(=O)(=O)[N-]c3ccc(F)cn3)cc2)CC1 ZINC000321815534 970811164 /nfs/dbraw/zinc/81/11/64/970811164.db2.gz ZTYVKTVABBBFKE-UHFFFAOYSA-N -2 0 336.344 2.138 20 0 EEADRL CC(=O)c1ccc([O-])c(NC(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC001602772516 971504132 /nfs/dbraw/zinc/50/41/32/971504132.db2.gz CKNVQJBSEAIARD-UHFFFAOYSA-N -2 0 329.308 2.311 20 0 EEADRL O=C([O-])c1cccnc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000110992144 949227327 /nfs/dbraw/zinc/22/73/27/949227327.db2.gz GMXQMRWRQWNBPY-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL CC(C)[C@@H](CNC(=O)c1cccc(Br)c1[O-])C(=O)[O-] ZINC001602984151 972008627 /nfs/dbraw/zinc/00/86/27/972008627.db2.gz STGYBFICLSAYDY-SECBINFHSA-N -2 0 330.178 2.241 20 0 EEADRL CC[C@@H](C(=O)[O-])N(C)C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001589440717 954708347 /nfs/dbraw/zinc/70/83/47/954708347.db2.gz HJVFNMYNEZPORG-NSHDSACASA-N -2 0 337.763 2.167 20 0 EEADRL COc1cccc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])c1 ZINC000314107195 963711934 /nfs/dbraw/zinc/71/19/34/963711934.db2.gz JSMPXLUGLCOTBK-UHFFFAOYSA-N -2 0 325.342 2.404 20 0 EEADRL COc1ccc(OC)c([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC000314161220 963719511 /nfs/dbraw/zinc/71/95/11/963719511.db2.gz AJSPKPGIOZULJX-UHFFFAOYSA-N -2 0 343.382 2.264 20 0 EEADRL Cc1csc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)n1 ZINC000314243275 963730669 /nfs/dbraw/zinc/73/06/69/963730669.db2.gz PPFANJRYUXRTBC-UHFFFAOYSA-N -2 0 342.398 2.106 20 0 EEADRL O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000321122600 968011761 /nfs/dbraw/zinc/01/17/61/968011761.db2.gz QIYIZXYFYAEDPR-UHFFFAOYSA-N -2 0 336.325 2.023 20 0 EEADRL CC(C)c1nn(C)cc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001592049926 976783304 /nfs/dbraw/zinc/78/33/04/976783304.db2.gz DSENMLMTZQMRPF-UHFFFAOYSA-N -2 0 341.364 2.182 20 0 EEADRL CC(C)c1nnc([N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)s1 ZINC001592075750 976827450 /nfs/dbraw/zinc/82/74/50/976827450.db2.gz QHUZYJQJDWHDMH-UHFFFAOYSA-N -2 0 341.414 2.302 20 0 EEADRL C[C@H](O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1F ZINC000795381264 978832685 /nfs/dbraw/zinc/83/26/85/978832685.db2.gz PFHCTYWWARIYGS-ZETCQYMHSA-N -2 0 345.373 2.440 20 0 EEADRL CC[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001595035356 979184343 /nfs/dbraw/zinc/18/43/43/979184343.db2.gz DJGSPKAZHCACLT-CYBMUJFWSA-N -2 0 341.429 2.403 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000863951894 979677050 /nfs/dbraw/zinc/67/70/50/979677050.db2.gz WOLAOFKQNJGIGH-UONOGXRCSA-N -2 0 347.392 2.146 20 0 EEADRL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(F)F ZINC001595310769 980469737 /nfs/dbraw/zinc/46/97/37/980469737.db2.gz MPDWWOWZDURYCL-QMMMGPOBSA-N -2 0 345.726 2.499 20 0 EEADRL CCC[C@H](C)CCNC(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001595573995 981489843 /nfs/dbraw/zinc/48/98/43/981489843.db2.gz NLNRECABVAYLED-BBYOUEMTSA-N -2 0 340.420 2.020 20 0 EEADRL CCC[C@@H]1CCC[C@H]1C(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001595621558 981701089 /nfs/dbraw/zinc/70/10/89/981701089.db2.gz KURSQXZPVXYVDT-WVFYJGRVSA-N -2 0 337.416 2.227 20 0 EEADRL CCCS(=O)(=O)[N-][C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001595980467 983221794 /nfs/dbraw/zinc/22/17/94/983221794.db2.gz YBOLYJHGBXILKM-SNVBAGLBSA-N -2 0 325.308 2.318 20 0 EEADRL CCCc1c(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)[nH]c(C)c1C(=O)[O-] ZINC001596030683 983300690 /nfs/dbraw/zinc/30/06/90/983300690.db2.gz MRLXCRLOLBNRKM-GXSJLCMTSA-N -2 0 336.388 2.157 20 0 EEADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)CC=CCl ZINC001599947232 985548954 /nfs/dbraw/zinc/54/89/54/985548954.db2.gz BTTLYHQJIJBMKK-XNPJLODASA-N -2 0 333.793 2.068 20 0 EEADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])n[nH]1 ZINC001590462550 990034933 /nfs/dbraw/zinc/03/49/33/990034933.db2.gz XMPJGVXDQOSQAJ-UHFFFAOYSA-N -2 0 341.364 2.345 20 0 EEADRL C[C@@H](NC(=O)c1cccc(F)c1[O-])c1ccc(OCC(=O)[O-])cc1 ZINC001593175471 994045818 /nfs/dbraw/zinc/04/58/18/994045818.db2.gz NSCCRNBUAGCIJH-SNVBAGLBSA-N -2 0 333.315 2.486 20 0 EEADRL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001593714069 996227425 /nfs/dbraw/zinc/22/74/25/996227425.db2.gz RXAGIUDGJUVCSO-UBHSHLNASA-N -2 0 339.413 2.085 20 0 EEADRL CO[C@@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])[C@H](C(=O)[O-])C1 ZINC001599120678 997732335 /nfs/dbraw/zinc/73/23/35/997732335.db2.gz PUAAGPHOVCYVSO-KCJUWKMLSA-N -2 0 348.182 2.403 20 0 EEADRL COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cncc(C(=O)[O-])c1 ZINC001599330932 997747503 /nfs/dbraw/zinc/74/75/03/997747503.db2.gz FTPSUPPECQHJJU-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL C[C@H]1CCC[C@@]1(C)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001594356867 999348872 /nfs/dbraw/zinc/34/88/72/999348872.db2.gz FQXZKVPMNYHHBM-ZUZCIYMTSA-N -2 0 325.386 2.016 20 0 EEADRL CC(C)(C)n1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cn1 ZINC000489693140 539969144 /nfs/dbraw/zinc/96/91/44/539969144.db2.gz CRLLLUBBWMFLJG-UHFFFAOYSA-N -2 0 341.364 2.276 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)sc1C ZINC000042301802 204086056 /nfs/dbraw/zinc/08/60/56/204086056.db2.gz CJPXSDCGRLIPEF-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000324681939 160541262 /nfs/dbraw/zinc/54/12/62/160541262.db2.gz OANMOEVUJTUSKK-UHFFFAOYSA-N -2 0 349.364 2.281 20 0 EEADRL CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cc(C(C)=O)ccc1[O-] ZINC000421161840 314057544 /nfs/dbraw/zinc/05/75/44/314057544.db2.gz YBABMMBGLSMEFW-CYBMUJFWSA-N -2 0 329.418 2.398 20 0 EEADRL CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1 ZINC000437004395 315022647 /nfs/dbraw/zinc/02/26/47/315022647.db2.gz QJJVDXIURXFJCR-UHFFFAOYSA-N -2 0 349.364 2.402 20 0 EEADRL CCCc1ccc([N-]S(=O)(=O)c2cnn(CC)c2)c(C(=O)[O-])c1 ZINC000066580967 462906589 /nfs/dbraw/zinc/90/65/89/462906589.db2.gz WOHFOGQAJWYEJD-UHFFFAOYSA-N -2 0 337.401 2.355 20 0 EEADRL CCn1nc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1C ZINC000269111857 463877973 /nfs/dbraw/zinc/87/79/73/463877973.db2.gz XOIUJXMQWMPTAV-UHFFFAOYSA-N -2 0 341.364 2.158 20 0 EEADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)[C@H](C)C(=O)[O-])n2)cc1 ZINC000262908237 464051677 /nfs/dbraw/zinc/05/16/77/464051677.db2.gz ROBNHTFTOATBAA-LLVKDONJSA-N -2 0 331.372 2.246 20 0 EEADRL CCCc1ccc([N-]S(=O)(=O)c2cn(C)c(C)n2)c(C(=O)[O-])c1 ZINC000339751026 465487492 /nfs/dbraw/zinc/48/74/92/465487492.db2.gz AMDREYNLTVLPKU-UHFFFAOYSA-N -2 0 337.401 2.180 20 0 EEADRL CCc1oncc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000337851682 465628358 /nfs/dbraw/zinc/62/83/58/465628358.db2.gz JMTRPGZPKVLIQJ-UHFFFAOYSA-N -2 0 328.321 2.184 20 0 EEADRL CCOc1ncccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000362303729 465643981 /nfs/dbraw/zinc/64/39/81/465643981.db2.gz AUWYHEBHIZODHR-UHFFFAOYSA-N -2 0 340.332 2.118 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)c[nH]1 ZINC000362715035 465965460 /nfs/dbraw/zinc/96/54/60/465965460.db2.gz YTTRWBTYCQXZFH-UHFFFAOYSA-N -2 0 348.380 2.497 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1C ZINC000320318572 466607481 /nfs/dbraw/zinc/60/74/81/466607481.db2.gz VZVIUVWWIQNNLY-UHFFFAOYSA-N -3 0 339.325 2.094 20 0 EEADRL COc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC000323400690 466637720 /nfs/dbraw/zinc/63/77/20/466637720.db2.gz KMRIIZVBZCBLNB-UHFFFAOYSA-N -2 0 337.353 2.203 20 0 EEADRL O=C([O-])CCCCCNC(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000417731844 466919587 /nfs/dbraw/zinc/91/95/87/466919587.db2.gz GNJAMKQLVCIMBY-UHFFFAOYSA-N -2 0 334.401 2.394 20 0 EEADRL CCCc1n[n-]c(=NC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)s1 ZINC000649537081 470619747 /nfs/dbraw/zinc/61/97/47/470619747.db2.gz SFSITCCHMQJELC-MRXNPFEDSA-N -2 0 348.428 2.077 20 0 EEADRL CCCCCc1n[n-]c(=NC(=O)NC[C@H](C(=O)[O-])C(C)C)s1 ZINC000653534688 471654632 /nfs/dbraw/zinc/65/46/32/471654632.db2.gz UVGANUMRIKNJSZ-JTQLQIEISA-N -2 0 328.438 2.171 20 0 EEADRL O=C([O-])c1ccccc1C1CCN(C(=O)C2(C(=O)[O-])CCC2)CC1 ZINC000663024978 472330935 /nfs/dbraw/zinc/33/09/35/472330935.db2.gz HFEVNLFHNMXWPM-UHFFFAOYSA-N -2 0 331.368 2.346 20 0 EEADRL O=C(N[C@@H](c1nnn[n-]1)c1ccccc1)c1cc(F)cc(Cl)c1[O-] ZINC000676123643 486150249 /nfs/dbraw/zinc/15/02/49/486150249.db2.gz NFXIEUOPVVDMDJ-GFCCVEGCSA-N -2 0 347.737 2.217 20 0 EEADRL Cc1cc(NS(=O)(=O)c2ccsc2C(=O)[O-])ccc1C(=O)[O-] ZINC000738463445 578016060 /nfs/dbraw/zinc/01/60/60/578016060.db2.gz DGMUUCQWSKXRLV-UHFFFAOYSA-N -2 0 341.366 2.254 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2n[nH]c3ccccc32)ccc1C(=O)[O-] ZINC000738478383 576474689 /nfs/dbraw/zinc/47/46/89/576474689.db2.gz MZRXOKZQBRIZGI-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL CCc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000754759817 577125138 /nfs/dbraw/zinc/12/51/38/577125138.db2.gz MHKYQYRWRRJECV-UHFFFAOYSA-N -2 0 328.321 2.184 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)cn1 ZINC000749141372 577971734 /nfs/dbraw/zinc/97/17/34/577971734.db2.gz IIIGSDWCGWWQCE-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cccc(Cl)c2F)c1C(=O)[O-] ZINC000738827720 578028028 /nfs/dbraw/zinc/02/80/28/578028028.db2.gz OHBJSPVYYVXBAC-UHFFFAOYSA-N -2 0 333.728 2.010 20 0 EEADRL C[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000736624841 578215368 /nfs/dbraw/zinc/21/53/68/578215368.db2.gz BQAFFCAMYPZINW-GFCCVEGCSA-N -2 0 347.392 2.069 20 0 EEADRL C[C@@](CC(=O)NCc1ccc(C(=O)[O-])cc1)(C(=O)[O-])c1ccccc1 ZINC000817998753 597204778 /nfs/dbraw/zinc/20/47/78/597204778.db2.gz XNGKWSQPLSHCGE-IBGZPJMESA-N -2 0 341.363 2.434 20 0 EEADRL C/C(=C\C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)C(C)(C)C ZINC000825723972 600943026 /nfs/dbraw/zinc/94/30/26/600943026.db2.gz FXRGROLGVVNTGF-PKNBQFBNSA-N -2 0 339.413 2.323 20 0 EEADRL CC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000828672460 601480232 /nfs/dbraw/zinc/48/02/32/601480232.db2.gz SIMHJVHSNAVWOD-LBPRGKRZSA-N -2 0 325.308 2.026 20 0 EEADRL Cn1cc([N-]S(=O)(=O)c2cccc3ncccc32)cc1C(=O)[O-] ZINC000833053467 601783674 /nfs/dbraw/zinc/78/36/74/601783674.db2.gz VCNUOIKUZATMFS-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])n[nH]c1C1CC1 ZINC000832853629 602103609 /nfs/dbraw/zinc/10/36/09/602103609.db2.gz PFGYMCQARKCJPS-UHFFFAOYSA-N -2 0 339.348 2.234 20 0 EEADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cs1 ZINC000833034287 602115218 /nfs/dbraw/zinc/11/52/18/602115218.db2.gz YDYLLCFRGJHRSD-UHFFFAOYSA-N -3 0 347.395 2.315 20 0 EEADRL C[C@@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000828221445 602384869 /nfs/dbraw/zinc/38/48/69/602384869.db2.gz PDKYOCKEDVCQGH-MNOVXSKESA-N -2 0 325.386 2.016 20 0 EEADRL CC(C)Oc1ccc(S(=O)(=O)[N-]c2csnc2C(=O)[O-])cc1 ZINC000833507056 605006137 /nfs/dbraw/zinc/00/61/37/605006137.db2.gz YIJAYWFYACESNO-UHFFFAOYSA-N -2 0 342.398 2.429 20 0 EEADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)N3CCC[C@@]3(C)C(=O)[O-])n2)c1 ZINC000909653556 687690928 /nfs/dbraw/zinc/69/09/28/687690928.db2.gz DHOAXCZIDHHSJB-KRWDZBQOSA-N -2 0 347.346 2.105 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC[C@@]2(C)C(=O)[O-])n1 ZINC000909655759 687730979 /nfs/dbraw/zinc/73/09/79/687730979.db2.gz SILCCBDLEDXSTH-SFHVURJKSA-N -2 0 343.383 2.220 20 0 EEADRL CCOc1cccnc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186142851 1278967008 /nfs/dbraw/zinc/96/70/08/1278967008.db2.gz GYJBKBOZYPBVAL-UHFFFAOYSA-N -2 0 340.332 2.118 20 0 EEADRL COc1nccc(C)c1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186143214 1278968182 /nfs/dbraw/zinc/96/81/82/1278968182.db2.gz LADIGNFILSNZAC-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL O=P([O-])([O-])OCCNC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC001201001323 1287250596 /nfs/dbraw/zinc/25/05/96/1287250596.db2.gz IKZPJHWVZPBPAV-UHFFFAOYSA-N -2 0 345.144 2.389 20 0 EEADRL CN(C)S(=O)(=O)c1ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])cc1 ZINC001240186132 1309266727 /nfs/dbraw/zinc/26/67/27/1309266727.db2.gz DDAJGDFUYJOXFI-UHFFFAOYSA-N -2 0 349.364 2.000 20 0 EEADRL COc1cnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc1NC(C)C ZINC001242158867 1309621319 /nfs/dbraw/zinc/62/13/19/1309621319.db2.gz UVFXNHUOYRLIIJ-UHFFFAOYSA-N -2 0 331.328 2.369 20 0 EEADRL CCOC(=O)Cc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn1 ZINC001242161221 1309622874 /nfs/dbraw/zinc/62/28/74/1309622874.db2.gz QYOITTOGBBYJIZ-UHFFFAOYSA-N -2 0 329.308 2.251 20 0 EEADRL COC(=O)c1cc2cc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c[nH]c-2n1 ZINC001242162569 1309624182 /nfs/dbraw/zinc/62/41/82/1309624182.db2.gz XRGKXQMVINMCIP-UHFFFAOYSA-N -2 0 340.291 2.413 20 0 EEADRL CC(C)NC(=O)c1cncc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242162305 1309624230 /nfs/dbraw/zinc/62/42/30/1309624230.db2.gz FDIZVTCSWIREGM-UHFFFAOYSA-N -2 0 328.324 2.283 20 0 EEADRL CC1(c2ccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)cn2)OCCO1 ZINC001242164939 1309626213 /nfs/dbraw/zinc/62/62/13/1309626213.db2.gz TZEBSCRXEJFUQC-UHFFFAOYSA-N -2 0 329.308 2.365 20 0 EEADRL COc1cccc(-c2nnc(-c3cc(S(=O)(=O)[O-])ccc3[O-])o2)c1 ZINC001253259787 1317809889 /nfs/dbraw/zinc/80/98/89/1317809889.db2.gz GXAXZBWKLRVLMN-UHFFFAOYSA-N -2 0 348.336 2.365 20 0 EEADRL O=c1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)nc(Cl)[n-]1 ZINC001259074527 1319432164 /nfs/dbraw/zinc/43/21/64/1319432164.db2.gz GGUFXOUXOFGFDD-UHFFFAOYSA-N -2 0 339.682 2.054 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc3cncnc3c2)c1 ZINC001260216125 1319834634 /nfs/dbraw/zinc/83/46/34/1319834634.db2.gz SPEZBLNIRRUMTG-UHFFFAOYSA-N -2 0 347.327 2.268 20 0 EEADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)on1 ZINC001260392649 1319881681 /nfs/dbraw/zinc/88/16/81/1319881681.db2.gz LELSLHDSRCQBPL-UHFFFAOYSA-N -2 0 340.357 2.177 20 0 EEADRL O=C([O-])c1ccc(CN[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)s1 ZINC001602347278 1350500894 /nfs/dbraw/zinc/50/08/94/1350500894.db2.gz RQILGBOOLSMODW-CQSZACIVSA-N -2 0 333.365 2.297 20 0 EEADRL C[C@H](CS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)C(C)(C)C ZINC001604209133 1350893675 /nfs/dbraw/zinc/89/36/75/1350893675.db2.gz GBFHBIDTZZBANO-UTUOFQBUSA-N -2 0 333.450 2.006 20 0 EEADRL CCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001605236004 1351112259 /nfs/dbraw/zinc/11/22/59/1351112259.db2.gz AFORZDZBSSCPJR-SNVBAGLBSA-N -2 0 345.392 2.084 20 0 EEADRL O=C([O-])c1c(F)cc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1F ZINC001608826727 1351772601 /nfs/dbraw/zinc/77/26/01/1351772601.db2.gz IHZJJGBNYIKCBG-SFYZADRCSA-N -2 0 327.283 2.493 20 0 EEADRL O=C([O-])c1cnc(CCNC(=O)c2cc(O)ccc2Cl)s1 ZINC001608970680 1351804661 /nfs/dbraw/zinc/80/46/61/1351804661.db2.gz YFOGLBUGQPXFMK-UHFFFAOYSA-N -2 0 326.761 2.173 20 0 EEADRL CC(=O)c1cccc([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)c1 ZINC001609630204 1352045748 /nfs/dbraw/zinc/04/57/48/1352045748.db2.gz TXCQQKVEFUXLRI-UHFFFAOYSA-N -2 0 334.353 2.092 20 0 EEADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C2CCC2)cc1 ZINC001609638377 1352047391 /nfs/dbraw/zinc/04/73/91/1352047391.db2.gz DZLDOPYRKSEVDX-WDEREUQCSA-N -2 0 339.413 2.123 20 0 EEADRL CC(C)CCCCCC(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001609696107 1352061954 /nfs/dbraw/zinc/06/19/54/1352061954.db2.gz VISNNMOAZWXRAL-UHFFFAOYSA-N -2 0 348.446 2.253 20 0 EEADRL CC(C)n1cc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])c(F)c2)cn1 ZINC001609724068 1352069667 /nfs/dbraw/zinc/06/96/67/1352069667.db2.gz NTTYJGUACZIMEA-UHFFFAOYSA-N -2 0 341.364 2.031 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC)c(F)c1 ZINC001610077228 1352157311 /nfs/dbraw/zinc/15/73/11/1352157311.db2.gz KICBVEBMJJRAJY-UHFFFAOYSA-N -2 0 343.332 2.489 20 0 EEADRL COc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1OC ZINC001610288625 1352200400 /nfs/dbraw/zinc/20/04/00/1352200400.db2.gz ULWVHLPPYYRTDU-UHFFFAOYSA-N -2 0 337.353 2.203 20 0 EEADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C(C)(C)C(F)(F)F ZINC001610290791 1352200617 /nfs/dbraw/zinc/20/06/17/1352200617.db2.gz IEJWBCKXIVHIOA-UHFFFAOYSA-N -2 0 347.336 2.074 20 0 EEADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cnc3ccccc3n2)c1 ZINC001610813196 1352279155 /nfs/dbraw/zinc/27/91/55/1352279155.db2.gz IJOCZBXJATULCH-UHFFFAOYSA-N -2 0 347.327 2.268 20 0 EEADRL O=C([O-])c1ncccc1S(=O)(=O)[N-]c1cccc2c1CCCC2 ZINC001610872889 1352288743 /nfs/dbraw/zinc/28/87/43/1352288743.db2.gz MHVTVYVPZKDTIG-UHFFFAOYSA-N -2 0 332.381 2.459 20 0 EEADRL Cc1cc(C2CC2)nc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)n1 ZINC001600182583 1349987176 /nfs/dbraw/zinc/98/71/76/1349987176.db2.gz KSCVZJNGOCKNFE-UHFFFAOYSA-N -2 0 339.398 2.223 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2nnc(-c3ccco3)o2)ccc1C(=O)[O-] ZINC001600301556 1350015005 /nfs/dbraw/zinc/01/50/05/1350015005.db2.gz PYYWUXVGZJAUNA-UHFFFAOYSA-N -2 0 349.324 2.137 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2nc(C(F)(F)F)c[nH]2)ccc1C(=O)[O-] ZINC001600301765 1350015389 /nfs/dbraw/zinc/01/53/89/1350015389.db2.gz ZYAKXFULEUVGER-UHFFFAOYSA-N -2 0 349.290 2.236 20 0 EEADRL Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1ccc(C(=O)[O-])o1 ZINC001600316562 1350018695 /nfs/dbraw/zinc/01/86/95/1350018695.db2.gz JAPJIDJMQDSJCM-UHFFFAOYSA-N -2 0 328.284 2.029 20 0 EEADRL Cc1cc(C(=O)Nc2cc(-c3n[nH]c(=O)[n-]3)ccc2C)oc1C(=O)[O-] ZINC001600316295 1350018952 /nfs/dbraw/zinc/01/89/52/1350018952.db2.gz GCWDQDRKPMQLHE-UHFFFAOYSA-N -2 0 342.311 2.338 20 0 EEADRL Cc1cccc(C(=O)[O-])c1NS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001600513390 1350070354 /nfs/dbraw/zinc/07/03/54/1350070354.db2.gz NUAWCCSIWPHBMQ-UHFFFAOYSA-N -2 0 349.364 2.333 20 0 EEADRL Cc1cccc(CN(CCC(=O)[O-])CC(=O)[O-])c1Br ZINC001600532516 1350075036 /nfs/dbraw/zinc/07/50/36/1350075036.db2.gz KSBLBEJLUBOGOF-UHFFFAOYSA-N -2 0 330.178 2.119 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)c2n[nH]cc21 ZINC001600746785 1350127187 /nfs/dbraw/zinc/12/71/87/1350127187.db2.gz KGEWXKAMCJEPNR-UHFFFAOYSA-N -2 0 346.368 2.074 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2scnc2C2CC2)cc1C(=O)[O-] ZINC001600746803 1350127281 /nfs/dbraw/zinc/12/72/81/1350127281.db2.gz CIGRRLVAYAJMIY-UHFFFAOYSA-N -2 0 339.398 2.223 20 0 EEADRL O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C1 ZINC001601765168 1350358875 /nfs/dbraw/zinc/35/88/75/1350358875.db2.gz OGUJCOKBTCDZSS-NXEZZACHSA-N -2 0 349.770 2.106 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)Nc2cc(F)cc(Cl)c2)C1 ZINC001601792108 1350365343 /nfs/dbraw/zinc/36/53/43/1350365343.db2.gz GBTXHSUUTAQEQT-HQJQHLMTSA-N -2 0 344.726 2.261 20 0 EEADRL O=C([O-])C[C@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC001601952600 1350404484 /nfs/dbraw/zinc/40/44/84/1350404484.db2.gz SRIZXQQSVBGLSC-MRVPVSSYSA-N -2 0 342.298 2.382 20 0 EEADRL O=C([O-])CCCc1nnc(NC(=O)c2cncc(F)c2Cl)s1 ZINC001602003252 1350415939 /nfs/dbraw/zinc/41/59/39/1350415939.db2.gz KRUUDBGLMCAIHD-UHFFFAOYSA-N -2 0 344.755 2.385 20 0 EEADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]C2(C(F)(F)F)CC2)c1F ZINC001602272695 1350482887 /nfs/dbraw/zinc/48/28/87/1350482887.db2.gz DFEUDSKBDQXVLV-UHFFFAOYSA-N -2 0 345.245 2.036 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)cn1 ZINC001602401819 1350510928 /nfs/dbraw/zinc/51/09/28/1350510928.db2.gz AWEWSRAZGWXOGV-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3ncsc3c2)cn1 ZINC001602402311 1350511084 /nfs/dbraw/zinc/51/10/84/1350511084.db2.gz RKAPFDRNIXZTIE-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnn(C3CCC3)c2)cc1F ZINC001602402220 1350511156 /nfs/dbraw/zinc/51/11/56/1350511156.db2.gz OSCDOZUJPIKDEJ-UHFFFAOYSA-N -2 0 339.348 2.246 20 0 EEADRL O=C([O-])c1n[nH]c2ccc(NC(=O)[C@]3(C(=O)[O-])CC=CCC3)cc21 ZINC001602567604 1350548317 /nfs/dbraw/zinc/54/83/17/1350548317.db2.gz TZMYDZSIZVNXQH-INIZCTEOSA-N -2 0 329.312 2.011 20 0 EEADRL C[C@H]1C(=O)Nc2cccc(C(=O)[O-])c2N1C(=O)c1cccc(F)c1[O-] ZINC001604625330 1350972261 /nfs/dbraw/zinc/97/22/61/1350972261.db2.gz XJDVSPFMYZEPTH-QMMMGPOBSA-N -2 0 344.298 2.217 20 0 EEADRL CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2ccc(CC(=O)[O-])cc2)C1 ZINC001605134708 1351085090 /nfs/dbraw/zinc/08/50/90/1351085090.db2.gz CODOZTDRNFDDFN-KRWDZBQOSA-N -2 0 334.372 2.422 20 0 EEADRL Cc1cc(Cl)c(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cc1C ZINC001607654991 1351533943 /nfs/dbraw/zinc/53/39/43/1351533943.db2.gz LUKXXXGQHFELHB-UHFFFAOYSA-N -2 0 347.820 2.127 20 0 EEADRL Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001607839982 1351568973 /nfs/dbraw/zinc/56/89/73/1351568973.db2.gz HYDYMVDBZCNTLY-UHFFFAOYSA-N -2 0 335.337 2.192 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2N(C)C)s1 ZINC001607985761 1351598572 /nfs/dbraw/zinc/59/85/72/1351598572.db2.gz WSTNQOHEFHGTLS-UHFFFAOYSA-N -2 0 341.414 2.017 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nnc(-c2ccccc2)o1 ZINC001608041953 1351612345 /nfs/dbraw/zinc/61/23/45/1351612345.db2.gz JJDFVCCILPGMPL-UHFFFAOYSA-N -2 0 349.324 2.137 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)cn1 ZINC001605699356 1404750348 /nfs/dbraw/zinc/75/03/48/1404750348.db2.gz VCOPSJHEDZVUEJ-UHFFFAOYSA-N -2 0 328.371 2.041 20 0 EEADRL O=P([O-])([O-])OCCNc1ncc(C(F)(F)F)cc1C1CC1 ZINC001168591493 790769881 /nfs/dbraw/zinc/76/98/81/790769881.db2.gz SYMWXERZTAAWRE-UHFFFAOYSA-N -2 0 326.211 2.499 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)CCCCc2ccccc2)C1 ZINC000910181008 786513903 /nfs/dbraw/zinc/51/39/03/786513903.db2.gz BRISCCAWZLVIGY-HUUCEWRRSA-N -2 0 333.384 2.176 20 0 EEADRL CC[C@H](Cc1cccc(C)c1)C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910182466 786514596 /nfs/dbraw/zinc/51/45/96/786514596.db2.gz IQSJVKSQVHDIKB-BZUAXINKSA-N -2 0 347.411 2.340 20 0 EEADRL O=C(Nc1cccc2cc[nH]c21)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148926118 792814101 /nfs/dbraw/zinc/81/41/01/792814101.db2.gz DMMLMDMKTVNTHB-UHFFFAOYSA-N -2 0 332.337 2.373 20 0 EEADRL O=C([O-])c1cc(Nc2cncnc2Br)cc(C(=O)[O-])c1 ZINC001176238174 798390785 /nfs/dbraw/zinc/39/07/85/798390785.db2.gz KJKPFEORDZIWTD-UHFFFAOYSA-N -2 0 338.117 2.379 20 0 EEADRL Cc1nc2c(C)cc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)cn2n1 ZINC001176240588 798391212 /nfs/dbraw/zinc/39/12/12/798391212.db2.gz YKKGKPOSVUKTOS-UHFFFAOYSA-N -2 0 326.312 2.486 20 0 EEADRL Nc1nc(Cl)n(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c2nccc1-2 ZINC001176240231 798391251 /nfs/dbraw/zinc/39/12/51/798391251.db2.gz ZTFYQQQFFSHCLB-UHFFFAOYSA-N -2 0 332.703 2.004 20 0 EEADRL Cc1ccccc1C(F)(F)C[N-]S(=O)(=O)[C@H]1CCC[C@@H]1C(=O)[O-] ZINC001465114825 804146301 /nfs/dbraw/zinc/14/63/01/804146301.db2.gz IFHBCAYZGMGRAB-AAEUAGOBSA-N -2 0 347.383 2.260 20 0 EEADRL O=C([O-])c1cccnc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000097895451 949206342 /nfs/dbraw/zinc/20/63/42/949206342.db2.gz MYIRXPNGTSQUMW-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL C[C@](CNC(=O)c1cc(F)cc(F)c1[O-])(C(=O)[O-])c1ccccc1 ZINC001589063750 955736557 /nfs/dbraw/zinc/73/65/57/955736557.db2.gz CHHJAZJLGQVPRZ-QGZVFWFLSA-N -2 0 335.306 2.443 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)C2CCC(C3CCC3)CC2)C1 ZINC001552982921 1125465418 /nfs/dbraw/zinc/46/54/18/1125465418.db2.gz RJHFWVQZPUSFIX-WUCCLRPBSA-N -2 0 337.416 2.369 20 0 EEADRL C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C(F)(F)F ZINC000389235055 972213268 /nfs/dbraw/zinc/21/32/68/972213268.db2.gz VSQQCIYIMCSRFK-BYPYZUCNSA-N -2 0 349.689 2.406 20 0 EEADRL N#CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000015246003 957096300 /nfs/dbraw/zinc/09/63/00/957096300.db2.gz RQNRMGIZWAFWPI-UHFFFAOYSA-N -2 0 338.366 2.149 20 0 EEADRL COC(=O)c1sccc1[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000037370865 957272860 /nfs/dbraw/zinc/27/28/60/957272860.db2.gz FHVHXYUNBYBOKD-UHFFFAOYSA-N -2 0 347.395 2.095 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)nc1 ZINC000041115399 957388117 /nfs/dbraw/zinc/38/81/17/957388117.db2.gz KKFUWANOHRRFFL-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL Cc1conc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259212877 960665152 /nfs/dbraw/zinc/66/51/52/960665152.db2.gz PSBAPEQUNKBOJQ-UHFFFAOYSA-N -2 0 334.712 2.275 20 0 EEADRL O=C([O-])C1(CNC(=O)c2cccc(C(F)(F)F)c2[O-])CCOCC1 ZINC001574562450 962017895 /nfs/dbraw/zinc/01/78/95/962017895.db2.gz DTGGPLKOKUPIGC-UHFFFAOYSA-N -2 0 347.289 2.022 20 0 EEADRL CC(C)n1nccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000319627999 970554693 /nfs/dbraw/zinc/55/46/93/970554693.db2.gz ZBQYHZJYTCVMOM-UHFFFAOYSA-N -2 0 327.337 2.102 20 0 EEADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]c1cccc(F)c1Cl ZINC000690247496 976282921 /nfs/dbraw/zinc/28/29/21/976282921.db2.gz NYZNDTIFDWOPLE-UHFFFAOYSA-N -2 0 336.753 2.435 20 0 EEADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@H]3CC[C@H]3C(=O)[O-])n2)c1 ZINC001591982686 976598522 /nfs/dbraw/zinc/59/85/22/976598522.db2.gz ACVCRYUQLRKAJU-KGLIPLIRSA-N -2 0 343.383 2.294 20 0 EEADRL C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cn1 ZINC001592180682 977095222 /nfs/dbraw/zinc/09/52/22/977095222.db2.gz CVJHBRGMUDDANG-JTQLQIEISA-N -2 0 335.385 2.353 20 0 EEADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1C ZINC001595026912 979139585 /nfs/dbraw/zinc/13/95/85/979139585.db2.gz NCIBRMXEWLZSIP-MRVPVSSYSA-N -2 0 327.362 2.255 20 0 EEADRL CC(C)[C@@H](CNC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1)C(=O)[O-] ZINC001592866986 979713292 /nfs/dbraw/zinc/71/32/92/979713292.db2.gz NIGHKAVQZGLFSD-BXUZGUMPSA-N -2 0 336.388 2.428 20 0 EEADRL CCC[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001595585974 981527839 /nfs/dbraw/zinc/52/78/39/981527839.db2.gz KGVSXDQRIWRTBU-VIFPVBQESA-N -2 0 348.446 2.109 20 0 EEADRL CCCCC[C@H](NC(=O)c1ncc(Br)cc1[O-])C(=O)[O-] ZINC001595681344 982162284 /nfs/dbraw/zinc/16/22/84/982162284.db2.gz QOQTZNFEMBPDDG-VIFPVBQESA-N -2 0 345.193 2.313 20 0 EEADRL CCCN(Cc1cc(C(=O)[O-])no1)Cc1nc(=O)c2sccc2[n-]1 ZINC001595891125 982924460 /nfs/dbraw/zinc/92/44/60/982924460.db2.gz LXIGAHVEZXFORN-UHFFFAOYSA-N -2 0 348.384 2.495 20 0 EEADRL CCC[C@H](NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C(=O)[O-] ZINC001596022897 983284761 /nfs/dbraw/zinc/28/47/61/983284761.db2.gz PMJGSVXIJHEFOA-NSHDSACASA-N -2 0 337.763 2.214 20 0 EEADRL C=Cc1ccc(S(=O)(=O)[N-]c2ccn(C(C)(C)C(=O)[O-])n2)cc1 ZINC001588921760 984579998 /nfs/dbraw/zinc/57/99/98/984579998.db2.gz KTBUWBIHVYGYQB-UHFFFAOYSA-N -2 0 335.385 2.147 20 0 EEADRL C[C@@H]1CN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CC[C@H]1C(=O)[O-] ZINC001594479352 985514773 /nfs/dbraw/zinc/51/47/73/985514773.db2.gz WDXBDKWLDNKWBC-VXNVDRBHSA-N -2 0 342.298 2.238 20 0 EEADRL C[C@H](C(=O)[O-])N(C(=O)c1ncc(Br)cc1[O-])C1CCC1 ZINC001589477853 986988244 /nfs/dbraw/zinc/98/82/44/986988244.db2.gz FLYPTGFZOPJXRF-SSDOTTSWSA-N -2 0 343.177 2.018 20 0 EEADRL CCn1nc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)cc1C1CC1 ZINC001597946484 989936408 /nfs/dbraw/zinc/93/64/08/989936408.db2.gz CXAPFSKLSYRPIE-UHFFFAOYSA-N -2 0 339.373 2.181 20 0 EEADRL CC(C)=CCC[C@@H](C)CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001590922387 990919406 /nfs/dbraw/zinc/91/94/06/990919406.db2.gz WWVFTPJHBAGOHR-GFCCVEGCSA-N -2 0 333.450 2.316 20 0 EEADRL C[C@H](NC(=O)c1c([O-])cc(F)cc1F)c1ncc(C(=O)[O-])s1 ZINC001593146514 993944346 /nfs/dbraw/zinc/94/43/46/993944346.db2.gz OGTSHPJCLKEIFL-YFKPBYRVSA-N -2 0 328.296 2.316 20 0 EEADRL COc1cc(/C=C\c2ncncc2C(=O)[O-])ccc1OCCC(=O)[O-] ZINC001599399612 997191102 /nfs/dbraw/zinc/19/11/02/997191102.db2.gz JGYVWOPHYWYLIH-RQOWECAXSA-N -2 0 344.323 2.207 20 0 EEADRL CO[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2[O-])[C@H](C(=O)[O-])C1 ZINC001599123879 997797853 /nfs/dbraw/zinc/79/78/53/997797853.db2.gz WWVQOHZJLUJKMJ-KWQFWETISA-N -2 0 347.289 2.115 20 0 EEADRL C[C@]1(NC(=O)c2nn(-c3ccccc3)cc2[O-])CCCC[C@H]1C(=O)[O-] ZINC001594061472 997850220 /nfs/dbraw/zinc/85/02/20/997850220.db2.gz UVFDVSTUJGPTIL-UGSOOPFHSA-N -2 0 343.383 2.341 20 0 EEADRL COC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001599024230 999004506 /nfs/dbraw/zinc/00/45/06/999004506.db2.gz XQRKXMYERCXKTR-UHFFFAOYSA-N -2 0 347.395 2.095 20 0 EEADRL CO[C@@H](C(=O)[N-]OCCCC(=O)[O-])c1ccccc1Br ZINC001599028198 999031396 /nfs/dbraw/zinc/03/13/96/999031396.db2.gz KIZZJQPCHSSHBE-GFCCVEGCSA-N -2 0 346.177 2.049 20 0 EEADRL C[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001594363588 999372527 /nfs/dbraw/zinc/37/25/27/999372527.db2.gz HPPHMVPOXBOESB-RKDXNWHRSA-N -2 0 331.415 2.078 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)nc2)ccc1F ZINC000067244175 215127456 /nfs/dbraw/zinc/12/74/56/215127456.db2.gz YSUZZASWFZZNGB-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL Cc1nc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)c[nH]1 ZINC000267895756 256095320 /nfs/dbraw/zinc/09/53/20/256095320.db2.gz WEIFDVRRIVUARU-UHFFFAOYSA-N -2 0 339.373 2.004 20 0 EEADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cccc3c2OCO3)cc1 ZINC000359861239 164186868 /nfs/dbraw/zinc/18/68/68/164186868.db2.gz WGKCJTIQCPMTJS-UHFFFAOYSA-N -2 0 349.364 2.233 20 0 EEADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)Nc2cc(F)c(F)cc2F)c1 ZINC000436993777 315021449 /nfs/dbraw/zinc/02/14/49/315021449.db2.gz HHFSRCHGBMCETO-UHFFFAOYSA-N -2 0 347.270 2.309 20 0 EEADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1 ZINC000517159061 316644144 /nfs/dbraw/zinc/64/41/44/316644144.db2.gz YJZJQOWBWSFFFU-UHFFFAOYSA-N -2 0 341.366 2.254 20 0 EEADRL COc1ccsc1S(=O)(=O)N[C@@H]1CCCC[C@@]1(C)C(=O)[O-] ZINC000547574356 318300596 /nfs/dbraw/zinc/30/05/96/318300596.db2.gz OEZJCBPAQGIODC-ZWNOBZJWSA-N -2 0 333.431 2.069 20 0 EEADRL CC[C@](C)(C[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(=O)[O-] ZINC000565541694 319192407 /nfs/dbraw/zinc/19/24/07/319192407.db2.gz VSNRTFVUHNDKAR-GFCCVEGCSA-N -2 0 343.298 2.022 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)cc1F ZINC000336862937 465057092 /nfs/dbraw/zinc/05/70/92/465057092.db2.gz BNNFHXZMTOQFKW-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL CC[C@H](C)c1ncc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cn1 ZINC000358492023 465156121 /nfs/dbraw/zinc/15/61/21/465156121.db2.gz FQWKPYXQYJWCJK-NSHDSACASA-N -2 0 349.412 2.418 20 0 EEADRL C[C@H](C1CC1)n1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cn1 ZINC000187748017 464158279 /nfs/dbraw/zinc/15/82/79/464158279.db2.gz MLNHJTLOPPDICM-SNVBAGLBSA-N -2 0 335.385 2.353 20 0 EEADRL Cc1nn(C)c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])oc3C)ccc12 ZINC000359579874 465466985 /nfs/dbraw/zinc/46/69/85/465466985.db2.gz BYEVGCWLQYOOLR-UHFFFAOYSA-N -2 0 349.368 2.282 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cnc2N)c(C(=O)[O-])c1 ZINC000361979319 466454403 /nfs/dbraw/zinc/45/44/03/466454403.db2.gz ACDMCUZWMXLIQE-UHFFFAOYSA-N -2 0 341.776 2.125 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)c(C(=O)[O-])c1 ZINC000322058821 466629416 /nfs/dbraw/zinc/62/94/16/466629416.db2.gz LLJRGLXAGYBJBU-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL CCCSc1nc(=NC(=O)NCCCCCC(=O)[O-])s[n-]1 ZINC000417761536 466927058 /nfs/dbraw/zinc/92/70/58/466927058.db2.gz KKTISWBWBASLGN-UHFFFAOYSA-N -2 0 332.451 2.229 20 0 EEADRL CO[C@H](C)c1nc(=NC(=O)c2cc(F)cc(Cl)c2[O-])s[n-]1 ZINC000436732229 467552825 /nfs/dbraw/zinc/55/28/25/467552825.db2.gz SUXLSCBSUDEDPS-RXMQYKEDSA-N -2 0 331.756 2.418 20 0 EEADRL COc1ncc(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000530628812 467998364 /nfs/dbraw/zinc/99/83/64/467998364.db2.gz KXDDKKKNTHPNFU-UHFFFAOYSA-N -2 0 342.398 2.268 20 0 EEADRL CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(OC)nc1 ZINC000583828037 468762292 /nfs/dbraw/zinc/76/22/92/468762292.db2.gz QBCZLQVLLLDUTD-UHFFFAOYSA-N -2 0 336.369 2.152 20 0 EEADRL CCOC(=O)CCc1c(C)[n-]n(-c2cccc(C(=O)[O-])c2C)c1=O ZINC000601949048 469108545 /nfs/dbraw/zinc/10/85/45/469108545.db2.gz JLVGHNVWXRYSTN-CYBMUJFWSA-N -2 0 332.356 2.375 20 0 EEADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)Nc2c(O)cccc2Cl)c1 ZINC000647919001 471016191 /nfs/dbraw/zinc/01/61/91/471016191.db2.gz HKNUKRGWSOMJHN-UHFFFAOYSA-N -2 0 343.744 2.250 20 0 EEADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)NC[C@H](C)C(=O)[O-])n2)cc1 ZINC000655559659 471382165 /nfs/dbraw/zinc/38/21/65/471382165.db2.gz DWFQGYCQYMKCGZ-NSHDSACASA-N -2 0 331.372 2.152 20 0 EEADRL C[C@@H](CNC(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1)C(=O)[O-] ZINC000653538639 471657159 /nfs/dbraw/zinc/65/71/59/471657159.db2.gz BQRYHTMVZXCMFQ-JTQLQIEISA-N -2 0 348.428 2.128 20 0 EEADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C(F)F)c1 ZINC000766374398 577518073 /nfs/dbraw/zinc/51/80/73/577518073.db2.gz CPZOFXAJEKETPQ-UHFFFAOYSA-N -2 0 337.329 2.147 20 0 EEADRL O=C([O-])CCCc1nnc([N-]C(=O)c2cc(-c3ccco3)on2)s1 ZINC000739713086 578065188 /nfs/dbraw/zinc/06/51/88/578065188.db2.gz XPUXYHCVCDPBAI-UHFFFAOYSA-N -2 0 348.340 2.446 20 0 EEADRL C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccsc1 ZINC000736216959 578187717 /nfs/dbraw/zinc/18/77/17/578187717.db2.gz SXDXGFIMVYXNFJ-SECBINFHSA-N -2 0 339.394 2.055 20 0 EEADRL C[C@@]([N-]C(=O)C(F)(F)F)(C(=O)[O-])c1cccc(Br)c1 ZINC000736633165 578215159 /nfs/dbraw/zinc/21/51/59/578215159.db2.gz MHOGJJXNIODNHU-JTQLQIEISA-N -2 0 340.095 2.427 20 0 EEADRL CC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000736903990 578229374 /nfs/dbraw/zinc/22/93/74/578229374.db2.gz FJIYPJWSACKZMW-CYBMUJFWSA-N -2 0 333.450 2.294 20 0 EEADRL O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000821539413 598095989 /nfs/dbraw/zinc/09/59/89/598095989.db2.gz VTLKTCBLDIMDFR-UHFFFAOYSA-N -2 0 326.761 2.163 20 0 EEADRL CCCc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)s1 ZINC000829573676 601502251 /nfs/dbraw/zinc/50/22/51/601502251.db2.gz DPDUSNHBZLGRPK-UHFFFAOYSA-N -2 0 333.416 2.051 20 0 EEADRL CC(C)(C)c1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)s1 ZINC000826528095 601502854 /nfs/dbraw/zinc/50/28/54/601502854.db2.gz IEYSPLVLIBOHPM-UHFFFAOYSA-N -2 0 347.443 2.396 20 0 EEADRL CC[C@@H](NC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-])C(=O)[O-] ZINC000828982689 601761840 /nfs/dbraw/zinc/76/18/40/601761840.db2.gz HADHSWPWUOWGOO-CYBMUJFWSA-N -2 0 331.372 2.294 20 0 EEADRL COc1ncccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000315119617 601827592 /nfs/dbraw/zinc/82/75/92/601827592.db2.gz ACVYZKFXANYKNW-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cs1 ZINC000833306331 601848093 /nfs/dbraw/zinc/84/80/93/601848093.db2.gz RKCCEAVCFWJPNY-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)n[nH]c1C1CC1 ZINC000832853432 602103217 /nfs/dbraw/zinc/10/32/17/602103217.db2.gz LMKFCJOHQROFQA-UHFFFAOYSA-N -2 0 327.387 2.156 20 0 EEADRL CCc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000830276670 604431827 /nfs/dbraw/zinc/43/18/27/604431827.db2.gz MHOMHHVURHRADM-UHFFFAOYSA-N -2 0 339.394 2.127 20 0 EEADRL CCC(=O)c1cccc(S(=O)(=O)[N-]c2csnc2C(=O)[O-])c1 ZINC000828580732 604775213 /nfs/dbraw/zinc/77/52/13/604775213.db2.gz RMJVSMILHPCDLT-UHFFFAOYSA-N -2 0 340.382 2.235 20 0 EEADRL O=C([O-])c1cncc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000062947023 604889554 /nfs/dbraw/zinc/88/95/54/604889554.db2.gz KDJGSXUSHHVENA-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL Cc1cc(F)ccc1C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000832890183 604937334 /nfs/dbraw/zinc/93/73/34/604937334.db2.gz RDPSUIAIFGNPBP-UHFFFAOYSA-N -2 0 343.357 2.013 20 0 EEADRL CSc1cncc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1 ZINC001142549772 1188257417 /nfs/dbraw/zinc/25/74/17/1188257417.db2.gz SKPDOGLJDYIVIN-UHFFFAOYSA-N -2 0 343.368 2.114 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C)ccc1Cl ZINC000863965843 1197940287 /nfs/dbraw/zinc/94/02/87/1197940287.db2.gz NKILSDJYHRCBNJ-LLVKDONJSA-N -2 0 347.820 2.200 20 0 EEADRL O=C(NCCOP(=O)([O-])[O-])Nc1cc(C(F)(F)F)ccc1F ZINC001185626783 1278723498 /nfs/dbraw/zinc/72/34/98/1278723498.db2.gz OBDGARCLVCTFGR-UHFFFAOYSA-N -2 0 346.173 2.075 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2nsnc21 ZINC001185869011 1278830713 /nfs/dbraw/zinc/83/07/13/1278830713.db2.gz HCMZYSGGRUXKRX-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nccc2cnccc21 ZINC001185877755 1278844569 /nfs/dbraw/zinc/84/45/69/1278844569.db2.gz SQSDKNVJIRQOLX-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn2ccnc2c1 ZINC001185879422 1278846041 /nfs/dbraw/zinc/84/60/41/1278846041.db2.gz PLOPMKMKXAXIKD-UHFFFAOYSA-N -2 0 331.353 2.142 20 0 EEADRL COc1c(O)cccc1NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189900115 1280570293 /nfs/dbraw/zinc/57/02/93/1280570293.db2.gz QSDFWZCDPUJCTR-UHFFFAOYSA-N -2 0 339.240 2.125 20 0 EEADRL Cc1cc2c(cn1)[C@@H](NC(=O)c1ccccc1OP(=O)([O-])[O-])CC2 ZINC001189899941 1280570334 /nfs/dbraw/zinc/57/03/34/1280570334.db2.gz YHYWGOKUMFMTRJ-AWEZNQCLSA-N -2 0 348.295 2.279 20 0 EEADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccn3ccnc3c2)cc1 ZINC001192115869 1281806149 /nfs/dbraw/zinc/80/61/49/1281806149.db2.gz GJKQSLLXGGTHGT-UHFFFAOYSA-N -2 0 345.380 2.152 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2cc(C)ns2)cc1C(=O)[O-] ZINC001192609165 1282075871 /nfs/dbraw/zinc/07/58/71/1282075871.db2.gz UFFSNILPYNFWLF-UHFFFAOYSA-N -2 0 342.398 2.349 20 0 EEADRL Cc1cn2cccc([N-]S(=O)(=O)c3ccccc3C(=O)[O-])c2n1 ZINC001198739420 1285311624 /nfs/dbraw/zinc/31/16/24/1285311624.db2.gz RPZGIMIVLQDLMB-UHFFFAOYSA-N -2 0 331.353 2.142 20 0 EEADRL COC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])s1 ZINC001198738649 1285311961 /nfs/dbraw/zinc/31/19/61/1285311961.db2.gz CVEVGQNKTTVLBN-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL COc1c([N-]S(=O)(=O)c2cc(N)ccc2C)cccc1C(=O)[O-] ZINC001211037571 1295644140 /nfs/dbraw/zinc/64/41/40/1295644140.db2.gz WOIHXRBPOIJNCL-UHFFFAOYSA-N -2 0 336.369 2.085 20 0 EEADRL CC(C)(C)OC(=O)N1CC(Oc2ccc(OP(=O)([O-])[O-])cc2)C1 ZINC001234333763 1304880275 /nfs/dbraw/zinc/88/02/75/1304880275.db2.gz ATVFBZJHKSBYBN-UHFFFAOYSA-N -2 0 345.288 2.156 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccn(CC(F)(F)F)c2=O)c1 ZINC001242164010 1309625425 /nfs/dbraw/zinc/62/54/25/1309625425.db2.gz XBDQZDPCHTZDQY-UHFFFAOYSA-N -2 0 341.241 2.474 20 0 EEADRL Cc1cc(-c2cccc3c2NC(=O)[N-]S3(=O)=O)ccc1C(=O)[O-] ZINC001243215768 1309779812 /nfs/dbraw/zinc/77/98/12/1309779812.db2.gz VWDKCOZBAVGWEE-UHFFFAOYSA-N -2 0 332.337 2.184 20 0 EEADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnoc2C2CC2)c1F ZINC000840918478 1315436064 /nfs/dbraw/zinc/43/60/64/1315436064.db2.gz UMDGIYNKSYJQSL-UHFFFAOYSA-N -2 0 340.332 2.499 20 0 EEADRL COc1ccc(OC)c(S(=O)(=O)[N-]c2cc([O-])c(F)c(F)c2)c1 ZINC001254430696 1318074441 /nfs/dbraw/zinc/07/44/41/1318074441.db2.gz DXQSMXLORNHONC-UHFFFAOYSA-N -2 0 345.323 2.488 20 0 EEADRL CCn1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)c1 ZINC001259214375 1319489142 /nfs/dbraw/zinc/48/91/42/1319489142.db2.gz OJELAJIGIYPTCO-UHFFFAOYSA-N -2 0 347.755 2.195 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc3snnc32)c1 ZINC001260190531 1319822006 /nfs/dbraw/zinc/82/20/06/1319822006.db2.gz QMDRUGLHEYRMKJ-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccnc(Cl)c2O)c1 ZINC001260209848 1319833148 /nfs/dbraw/zinc/83/31/48/1319833148.db2.gz HRZHWTSLNOSZMC-UHFFFAOYSA-N -2 0 346.723 2.079 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2cccc(C)n2)cc1C(=O)[O-] ZINC000390333068 1322817907 /nfs/dbraw/zinc/81/79/07/1322817907.db2.gz SWGRRXCJAXYOHE-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL Cc1c(F)cc(C(=O)[O-])cc1OS(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC001600019867 1349956444 /nfs/dbraw/zinc/95/64/44/1349956444.db2.gz RBWKTOKMGJRLCF-UHFFFAOYSA-N -2 0 342.348 2.447 20 0 EEADRL CC(C)(C)CCCCC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001603332515 1350689491 /nfs/dbraw/zinc/68/94/91/1350689491.db2.gz AVWYNJIJKBGKAY-UHFFFAOYSA-N -2 0 331.390 2.389 20 0 EEADRL CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001605255002 1351117252 /nfs/dbraw/zinc/11/72/52/1351117252.db2.gz LCHUQCQQMARQOG-SNVBAGLBSA-N -2 0 331.390 2.389 20 0 EEADRL CCc1nc(NC(=O)c2cc(=O)c3ccccc3[n-]2)sc1C(=O)[O-] ZINC001605854615 1351238090 /nfs/dbraw/zinc/23/80/90/1351238090.db2.gz FEKCCAMEJFCNGG-UHFFFAOYSA-N -2 0 343.364 2.498 20 0 EEADRL O=C([O-])C1(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)CCC1 ZINC001608579554 1351720036 /nfs/dbraw/zinc/72/00/36/1351720036.db2.gz LYAWMGAJOXPPAQ-SNVBAGLBSA-N -2 0 337.319 2.217 20 0 EEADRL O=C([O-])c1cc(F)cc(S(=O)(=O)NC[C@@H]2CC=CCC2)c1F ZINC001608849981 1351778249 /nfs/dbraw/zinc/77/82/49/1351778249.db2.gz AUVXKTRSIRQENW-SECBINFHSA-N -2 0 331.340 2.298 20 0 EEADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1noc2ccccc21 ZINC001608897439 1351789646 /nfs/dbraw/zinc/78/96/46/1351789646.db2.gz WOWLZGVAFYHRRQ-UHFFFAOYSA-N -2 0 336.300 2.466 20 0 EEADRL C[C@@H](CS(=O)(=O)[N-]CC(F)(F)c1ccc(Cl)cc1)C(=O)[O-] ZINC001609751074 1352076488 /nfs/dbraw/zinc/07/64/88/1352076488.db2.gz VOEOEIWBWGYUIV-QMMMGPOBSA-N -2 0 341.763 2.072 20 0 EEADRL C[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC001609852447 1352102279 /nfs/dbraw/zinc/10/22/79/1352102279.db2.gz OSXSOJYBDMTFHE-DGCLKSJQSA-N -2 0 339.413 2.157 20 0 EEADRL CCOC(=O)c1cnc(/C=C\c2ccoc2C(=O)[O-])c(C(=O)[O-])c1 ZINC001610024088 1352143715 /nfs/dbraw/zinc/14/37/15/1352143715.db2.gz PLZPHJMVFGNTLW-ARJAWSKDSA-N -2 0 331.280 2.418 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cnn1C1CCCC1 ZINC001610427082 1352221068 /nfs/dbraw/zinc/22/10/68/1352221068.db2.gz KWMTXSKNQSTNPA-UHFFFAOYSA-N -2 0 339.373 2.399 20 0 EEADRL Cc1noc2ncc(S(=O)(=O)[N-]c3ccsc3C(=O)[O-])cc12 ZINC001610576847 1352248156 /nfs/dbraw/zinc/24/81/56/1352248156.db2.gz AAKGDADBHQFVNY-UHFFFAOYSA-N -2 0 339.354 2.092 20 0 EEADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)/C=C/c2ccccc2)s1 ZINC001610822704 1352280924 /nfs/dbraw/zinc/28/09/24/1352280924.db2.gz UDFZVWKDBKKCBD-CMDGGOBGSA-N -2 0 337.378 2.177 20 0 EEADRL O=C([O-])c1nccc2c1cccc2S(=O)(=O)[N-]c1cccnc1 ZINC001610869669 1352288115 /nfs/dbraw/zinc/28/81/15/1352288115.db2.gz KVRNMJXNUDHJGO-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL O=C(NCc1ccc(-c2nn[nH]n2)c(F)c1)c1ccc([O-])c(Cl)c1 ZINC001582546541 1344759949 /nfs/dbraw/zinc/75/99/49/1344759949.db2.gz ZEMWHCPLXHMGHJ-UHFFFAOYSA-N -2 0 347.737 2.295 20 0 EEADRL Cc1cc(C(=O)[O-])oc1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001600132174 1349976575 /nfs/dbraw/zinc/97/65/75/1349976575.db2.gz LBJLDMBRMRSPCP-UHFFFAOYSA-N -2 0 327.296 2.430 20 0 EEADRL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1 ZINC001600153084 1349981418 /nfs/dbraw/zinc/98/14/18/1349981418.db2.gz DWYCDOABLJPGNM-UHFFFAOYSA-N -3 0 339.325 2.094 20 0 EEADRL Cc1cc(C=O)c([O-])c(C(=O)Nc2nnc(CCCC(=O)[O-])s2)c1 ZINC001600185216 1349987791 /nfs/dbraw/zinc/98/77/91/1349987791.db2.gz GVMFRONXQITDOW-UHFFFAOYSA-N -2 0 349.368 2.024 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cc(CC(C)C)n[nH]2)oc1C(=O)[O-] ZINC001600301623 1350015202 /nfs/dbraw/zinc/01/52/02/1350015202.db2.gz LKWBAAXLHVWJPX-UHFFFAOYSA-N -2 0 327.362 2.009 20 0 EEADRL Cc1ccc2nc([N-]S(=O)(=O)c3ccc(C(=O)[O-])nc3)sc2c1 ZINC001600503779 1350068190 /nfs/dbraw/zinc/06/81/90/1350068190.db2.gz KLKDXGGWVSGLHY-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL O=C([O-])c1nc(CNC(=O)c2cc(F)cc(F)c2[O-])ccc1Cl ZINC001601537717 1350303470 /nfs/dbraw/zinc/30/34/70/1350303470.db2.gz YDWIQHXTVUWGIO-UHFFFAOYSA-N -2 0 342.685 2.347 20 0 EEADRL O=C([O-])[C@H]1CCCCCN1C(=O)c1ncc(Br)cc1[O-] ZINC001601816025 1350371236 /nfs/dbraw/zinc/37/12/36/1350371236.db2.gz JBYUPQQFZVXJND-SECBINFHSA-N -2 0 343.177 2.019 20 0 EEADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccccc2[O-])[C@@H]2CCCC[C@H]12 ZINC001601830525 1350375779 /nfs/dbraw/zinc/37/57/79/1350375779.db2.gz OGPCNIRLLXYIEP-JHJVBQTASA-N -2 0 339.413 2.046 20 0 EEADRL O=C([O-])C[C@H]1CCCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001601951012 1350404481 /nfs/dbraw/zinc/40/44/81/1350404481.db2.gz CGQQHARMLDCJKC-MRVPVSSYSA-N -2 0 342.298 2.382 20 0 EEADRL O=C([O-])C[C@@H]1CCCN1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001601954893 1350404997 /nfs/dbraw/zinc/40/49/97/1350404997.db2.gz DALAUUAFJRYNIY-LBPRGKRZSA-N -2 0 349.774 2.311 20 0 EEADRL O=C([O-])CCCCCNC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001601984745 1350411137 /nfs/dbraw/zinc/41/11/37/1350411137.db2.gz NARDYAGLJNXSFT-HUUCEWRRSA-N -2 0 348.399 2.141 20 0 EEADRL O=C([O-])CCc1ccc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC001602040194 1350424086 /nfs/dbraw/zinc/42/40/86/1350424086.db2.gz INXSOGTXUYIKSX-CYBMUJFWSA-N -2 0 334.372 2.422 20 0 EEADRL O=C([O-])c1cc(C(=O)[N-]c2nnc(Cc3ccc(F)cc3)s2)on1 ZINC001602249553 1350476430 /nfs/dbraw/zinc/47/64/30/1350476430.db2.gz SDCCURAVLAOMHG-UHFFFAOYSA-N -2 0 348.315 2.207 20 0 EEADRL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@H](C(F)F)C1CCCCC1 ZINC001602488053 1350530756 /nfs/dbraw/zinc/53/07/56/1350530756.db2.gz BHNMRMRBKIJTAR-JTQLQIEISA-N -2 0 337.344 2.470 20 0 EEADRL O=C([O-])c1coc(C[N-]C(=O)C(F)(F)c2cc(F)cc(F)c2)n1 ZINC001602553309 1350544473 /nfs/dbraw/zinc/54/44/73/1350544473.db2.gz QCCVQNVUHATIGC-UHFFFAOYSA-N -2 0 332.209 2.059 20 0 EEADRL O=C([O-])c1cc2c(cc1F)NC(=O)/C2=C/c1ccc(O)c(C(=O)[O-])c1 ZINC001602661513 1350567682 /nfs/dbraw/zinc/56/76/82/1350567682.db2.gz TTXNPYOMWBKUJZ-YCRREMRBSA-N -2 0 343.266 2.420 20 0 EEADRL O=Cc1ccc(-c2ccc(C(=O)N[C@@H](CCF)C(=O)[O-])c([O-])c2)o1 ZINC001602665631 1350569217 /nfs/dbraw/zinc/56/92/17/1350569217.db2.gz QYXHLWUIUJYRMY-LBPRGKRZSA-N -2 0 335.287 2.007 20 0 EEADRL CC(C)c1[nH]ccc1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001603988351 1350822329 /nfs/dbraw/zinc/82/23/29/1350822329.db2.gz RFMZGQCDCHMXSI-UHFFFAOYSA-N -2 0 342.398 2.017 20 0 EEADRL CC(C)c1occc1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001604041880 1350836938 /nfs/dbraw/zinc/83/69/38/1350836938.db2.gz RGGYMYRNHTWPKR-UHFFFAOYSA-N -2 0 343.382 2.281 20 0 EEADRL C[C@](CC(=O)[O-])(NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C1CC1 ZINC001604088525 1350852889 /nfs/dbraw/zinc/85/28/89/1350852889.db2.gz RHLKEVFMEJFDJI-QGZVFWFLSA-N -2 0 347.346 2.090 20 0 EEADRL CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2ccc(CC(=O)[O-])cc2)C1 ZINC001605134711 1351084989 /nfs/dbraw/zinc/08/49/89/1351084989.db2.gz CODOZTDRNFDDFN-QGZVFWFLSA-N -2 0 334.372 2.422 20 0 EEADRL CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)n[nH]1 ZINC001605208681 1351103387 /nfs/dbraw/zinc/10/33/87/1351103387.db2.gz UTBDPPJHTWPYNK-VIFPVBQESA-N -2 0 338.389 2.207 20 0 EEADRL Cc1cc(C2CC2)nc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)n1 ZINC001607634707 1351530024 /nfs/dbraw/zinc/53/00/24/1351530024.db2.gz SROCBFWMZACXRW-UHFFFAOYSA-N -2 0 347.396 2.090 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])sc1C(=O)[O-] ZINC001607708121 1351543353 /nfs/dbraw/zinc/54/33/53/1351543353.db2.gz XICAGXBQCNFJEQ-UHFFFAOYSA-N -3 0 347.395 2.315 20 0 EEADRL Cc1ccc2[nH]c([N-]S(=O)(=O)c3cccc(CC(=O)[O-])c3)nc2c1 ZINC001607828093 1351567021 /nfs/dbraw/zinc/56/70/21/1351567021.db2.gz GGHHIPCEYXLPQC-UHFFFAOYSA-N -2 0 345.380 2.299 20 0 EEADRL Cc1ccncc1S(=O)(=O)[N-]c1nc(CCCC(=O)[O-])cs1 ZINC001607898606 1351581688 /nfs/dbraw/zinc/58/16/88/1351581688.db2.gz SFHXMJBDIUPXDC-UHFFFAOYSA-N -2 0 341.414 2.055 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1c[nH]nc1C1CC1 ZINC001607927349 1351587582 /nfs/dbraw/zinc/58/75/82/1351587582.db2.gz IAFMMPHGXIUITL-UHFFFAOYSA-N -2 0 327.387 2.156 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccncc1C(F)(F)F ZINC001198730660 1368642031 /nfs/dbraw/zinc/64/20/31/1368642031.db2.gz VIZPNTMLVQTSNK-UHFFFAOYSA-N -2 0 346.286 2.021 20 0 EEADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1ccc(F)c(F)c1[O-] ZINC000837265547 1372776610 /nfs/dbraw/zinc/77/66/10/1372776610.db2.gz GRWKULFLCGTQTN-VIFPVBQESA-N -2 0 340.248 2.312 20 0 EEADRL COc1cccc(C#N)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000322738125 1409863779 /nfs/dbraw/zinc/86/37/79/1409863779.db2.gz ZLOVPDOLXSSUFX-UHFFFAOYSA-N -2 0 332.337 2.066 20 0 EEADRL CC1(C)CC(Nc2ccc(P(=O)([O-])[O-])cc2)CC(C)(C)N1O ZINC001167720876 765059517 /nfs/dbraw/zinc/05/95/17/765059517.db2.gz CNVMHBMODGODSW-UHFFFAOYSA-N -2 0 328.349 2.312 20 0 EEADRL O=P([O-])([O-])OCCNc1ncccc1OCc1ccccc1F ZINC001168589370 790632731 /nfs/dbraw/zinc/63/27/31/790632731.db2.gz IPLXDYBFABMYRZ-UHFFFAOYSA-N -2 0 342.263 2.321 20 0 EEADRL COC(=O)c1cc(NCCOP(=O)([O-])[O-])cc(C(F)(F)F)c1 ZINC001168592750 790835560 /nfs/dbraw/zinc/83/55/60/790835560.db2.gz XINSAFMTZSBGPH-UHFFFAOYSA-N -2 0 343.194 2.013 20 0 EEADRL CSC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000906005277 783637554 /nfs/dbraw/zinc/63/75/54/783637554.db2.gz OQRKFUJHJNFBLM-QMMMGPOBSA-N -2 0 344.241 2.088 20 0 EEADRL Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c(Cl)c1 ZINC000910186021 786517802 /nfs/dbraw/zinc/51/78/02/786517802.db2.gz MDLHJNFOMIDOQO-SKDRFNHKSA-N -2 0 325.748 2.038 20 0 EEADRL C[C@H](CC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000910188599 786521169 /nfs/dbraw/zinc/52/11/69/786521169.db2.gz MUMNLPMTIBWXRM-MPKXVKKWSA-N -2 0 337.347 2.096 20 0 EEADRL Cc1ccc(CCCCC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1 ZINC000910189882 786522374 /nfs/dbraw/zinc/52/23/74/786522374.db2.gz VSQOXJCHBHSQEP-CVEARBPZSA-N -2 0 347.411 2.484 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cc1csc2ccccc12 ZINC000910192441 786524515 /nfs/dbraw/zinc/52/45/15/786524515.db2.gz QHHKVQMBRBZBGQ-GXFFZTMASA-N -2 0 347.392 2.220 20 0 EEADRL O=C([O-])[C@H](CC1CCOCC1)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000910452304 786779476 /nfs/dbraw/zinc/77/94/76/786779476.db2.gz KKIRKITUTSOCAF-LBPRGKRZSA-N -2 0 327.764 2.045 20 0 EEADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)nc2)cc1C(=O)[O-] ZINC000156365562 789083243 /nfs/dbraw/zinc/08/32/43/789083243.db2.gz IQEVOGUCPJAYDG-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL COc1cc2c(cnn2-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1N ZINC001176242465 798392514 /nfs/dbraw/zinc/39/25/14/798392514.db2.gz XUPBJROZJLZGEU-UHFFFAOYSA-N -2 0 327.296 2.013 20 0 EEADRL CCn1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c2ccccc21 ZINC000823584097 798745244 /nfs/dbraw/zinc/74/52/44/798745244.db2.gz YXSNQRBSKWIOHG-IAQYHMDHSA-N -2 0 344.367 2.051 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2ccnn2C2CCC2)cc1C(=O)[O-] ZINC001184668711 802126941 /nfs/dbraw/zinc/12/69/41/802126941.db2.gz YREWKBXHVJKLGN-UHFFFAOYSA-N -2 0 335.385 2.416 20 0 EEADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C(C)C)[nH]n1 ZINC000322949219 970950421 /nfs/dbraw/zinc/95/04/21/970950421.db2.gz KCZQGZVRUGDPOL-UHFFFAOYSA-N -2 0 339.373 2.041 20 0 EEADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1c(C)ccnc1C ZINC000323582837 971017715 /nfs/dbraw/zinc/01/77/15/971017715.db2.gz ZLUAONDVPWHPPP-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL O=C([O-])C1CCN(C(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])CC1 ZINC001594932571 954823678 /nfs/dbraw/zinc/82/36/78/954823678.db2.gz BPFUWHAOBGIDHL-UHFFFAOYSA-N -2 0 349.774 2.168 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc(OC)c1 ZINC000386354242 972047550 /nfs/dbraw/zinc/04/75/50/972047550.db2.gz BZWFVUWHNZJFDE-UHFFFAOYSA-N -2 0 343.382 2.264 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nnc(C(C)(C)C)o1 ZINC001185870877 960528745 /nfs/dbraw/zinc/52/87/45/960528745.db2.gz GEAPIQITRNUWFV-UHFFFAOYSA-N -2 0 339.373 2.175 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000315855072 963943329 /nfs/dbraw/zinc/94/33/29/963943329.db2.gz LYJUUBWAQWWDDQ-UHFFFAOYSA-N -2 0 346.704 2.340 20 0 EEADRL O=C([O-])CC1([N-]S(=O)(=O)c2c(F)cc(F)cc2F)CCCC1 ZINC000316250795 963994687 /nfs/dbraw/zinc/99/46/87/963994687.db2.gz RNUHIXKRDTWYKQ-UHFFFAOYSA-N -2 0 337.319 2.170 20 0 EEADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cc(Cl)cc(C(=O)[O-])c1 ZINC000317318418 970348002 /nfs/dbraw/zinc/34/80/02/970348002.db2.gz VUIRNYCFXVOSCH-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL C[C@](CC(=O)[O-])(NC(=O)c1cc(F)c([O-])c(F)c1)c1ccccn1 ZINC001592303251 977655000 /nfs/dbraw/zinc/65/50/00/977655000.db2.gz IZDGBSNBZPOFHZ-MRXNPFEDSA-N -2 0 336.294 2.185 20 0 EEADRL CCCC(CCC)C(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001595586581 981534028 /nfs/dbraw/zinc/53/40/28/981534028.db2.gz GFNDLJJFDFKBOO-UHFFFAOYSA-N -2 0 331.390 2.308 20 0 EEADRL CCCCCCC(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001595695411 982218480 /nfs/dbraw/zinc/21/84/80/982218480.db2.gz VVOYGNCDDJPLJF-UHFFFAOYSA-N -2 0 327.402 2.301 20 0 EEADRL CCCc1c(C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)[nH]c(C)c1C(=O)[O-] ZINC001596030688 983300625 /nfs/dbraw/zinc/30/06/25/983300625.db2.gz MRLXCRLOLBNRKM-ONGXEEELSA-N -2 0 336.388 2.157 20 0 EEADRL C[C@]1(C(=O)[O-])[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001599937886 985418575 /nfs/dbraw/zinc/41/85/75/985418575.db2.gz OGUNSWFEPQCHCH-AFCISJDKSA-N -2 0 333.315 2.375 20 0 EEADRL CCSCc1cccnc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001597267765 987305447 /nfs/dbraw/zinc/30/54/47/987305447.db2.gz PBJCBBXHZFFLNN-UHFFFAOYSA-N -2 0 342.398 2.427 20 0 EEADRL CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1ncc(Br)cc1[O-] ZINC001589704906 987815969 /nfs/dbraw/zinc/81/59/69/987815969.db2.gz FYWCXTIWOZFJBA-SECBINFHSA-N -2 0 345.193 2.169 20 0 EEADRL CCn1cnc(S(=O)(=O)[N-]c2sc(C)c(C)c2C(=O)[O-])c1 ZINC001597920258 989845061 /nfs/dbraw/zinc/84/50/61/989845061.db2.gz ACPYMSUCOZCERA-UHFFFAOYSA-N -2 0 329.403 2.080 20 0 EEADRL CC(C)(C)c1ccnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC001590515254 990123186 /nfs/dbraw/zinc/12/31/86/990123186.db2.gz ANRMETKSFDTBPI-UHFFFAOYSA-N -2 0 335.385 2.273 20 0 EEADRL CC(C)(CCNS(=O)(=O)c1ccsc1C(=O)[O-])CCC(=O)[O-] ZINC001590689375 990403852 /nfs/dbraw/zinc/40/38/52/990403852.db2.gz CUVOHYLSGKCWII-UHFFFAOYSA-N -2 0 349.430 2.006 20 0 EEADRL COc1ccc(C2CC2)c([N-]S(=O)(=O)c2cccnc2C(=O)[O-])c1 ZINC001599537138 997763730 /nfs/dbraw/zinc/76/37/30/997763730.db2.gz LAAUJNJEANETMY-UHFFFAOYSA-N -2 0 348.380 2.467 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc(OC)c1C ZINC001599445311 997999798 /nfs/dbraw/zinc/99/97/98/997999798.db2.gz DQYGSRQQLCQJPB-UHFFFAOYSA-N -2 0 341.341 2.104 20 0 EEADRL CC[C@@H](C)c1ncc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cn1 ZINC000358499251 143667144 /nfs/dbraw/zinc/66/71/44/143667144.db2.gz QQUUSKCKMPYXLI-SNVBAGLBSA-N -2 0 335.385 2.489 20 0 EEADRL Cc1cc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)ccc1C(=O)[O-] ZINC000341735159 161009740 /nfs/dbraw/zinc/00/97/40/161009740.db2.gz HIFUUNGNBOCDKR-UHFFFAOYSA-N -2 0 348.380 2.317 20 0 EEADRL CC(C)n1cc2cc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)ccc2n1 ZINC000346684812 161391802 /nfs/dbraw/zinc/39/18/02/161391802.db2.gz PQMZTACVOWLTSB-UHFFFAOYSA-N -2 0 348.384 2.444 20 0 EEADRL CC[C@@H](C)c1ncc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cn1 ZINC000357085507 163620785 /nfs/dbraw/zinc/62/07/85/163620785.db2.gz KQRGQJBALSJXNO-LLVKDONJSA-N -2 0 349.412 2.418 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cnc(C(C)C)nc2)ccc1C(=O)[O-] ZINC000285113444 274680229 /nfs/dbraw/zinc/68/02/29/274680229.db2.gz MSTUSLYEMUSKAK-UHFFFAOYSA-N -2 0 335.385 2.407 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cn(C)nc1C1CC1 ZINC000291082455 275268383 /nfs/dbraw/zinc/26/83/83/275268383.db2.gz JYMAZXSGXDUBIA-UHFFFAOYSA-N -2 0 335.385 2.105 20 0 EEADRL COC(C)(C)CS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1OC(C)C ZINC000414379837 313006438 /nfs/dbraw/zinc/00/64/38/313006438.db2.gz FKVFWUMHYYBMAO-UHFFFAOYSA-N -2 0 345.417 2.339 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2O)cc1C(=O)[O-] ZINC000433832063 314798013 /nfs/dbraw/zinc/79/80/13/314798013.db2.gz HATMIEFJXDKKJP-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2O)sc1C(=O)[O-] ZINC000433832331 314798072 /nfs/dbraw/zinc/79/80/72/314798072.db2.gz IXLULBIWONNHDA-UHFFFAOYSA-N -2 0 331.346 2.400 20 0 EEADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccc(Cl)cc2O)c1 ZINC000436640475 314983022 /nfs/dbraw/zinc/98/30/22/314983022.db2.gz IFPXRYWZVKEDKK-UHFFFAOYSA-N -2 0 343.744 2.250 20 0 EEADRL CCc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000441388262 315184652 /nfs/dbraw/zinc/18/46/52/315184652.db2.gz SXXNCNDCIGKRNF-UHFFFAOYSA-N -2 0 349.364 2.446 20 0 EEADRL Cc1cc(C(=O)Nc2cccc3cc[nH]c32)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000547497886 318294101 /nfs/dbraw/zinc/29/41/01/318294101.db2.gz KYSWFCXCZJQYBS-UHFFFAOYSA-N -2 0 335.323 2.478 20 0 EEADRL CC[C@H](CC[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(=O)[O-] ZINC000568001216 319443561 /nfs/dbraw/zinc/44/35/61/319443561.db2.gz RMOAJKVWHABXNB-ZCFIWIBFSA-N -2 0 343.298 2.022 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)c[nH]1 ZINC000078977126 463174040 /nfs/dbraw/zinc/17/40/40/463174040.db2.gz MGEMGPHWZTYYDJ-UHFFFAOYSA-N -2 0 331.353 2.304 20 0 EEADRL Cc1cc(C(=O)Nc2ccc(F)c(Cl)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000151458496 463534884 /nfs/dbraw/zinc/53/48/84/463534884.db2.gz GKNVNDCSGSHTCN-UHFFFAOYSA-N -2 0 348.721 2.377 20 0 EEADRL COc1ncc(C)cc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000356512760 465427404 /nfs/dbraw/zinc/42/74/04/465427404.db2.gz XOSHRJAHISUFMP-UHFFFAOYSA-N -2 0 342.398 2.268 20 0 EEADRL Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)c1 ZINC000356484919 465411749 /nfs/dbraw/zinc/41/17/49/465411749.db2.gz SRSMOLNNFYMULD-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cnn(C(F)F)c2)cc1C(=O)[O-] ZINC000361781587 466285079 /nfs/dbraw/zinc/28/50/79/466285079.db2.gz NIKMEAOVOSLJRL-UHFFFAOYSA-N -2 0 345.327 2.394 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)cs1 ZINC000315853502 466566458 /nfs/dbraw/zinc/56/64/58/466566458.db2.gz OFTWHKOCJUOYHZ-UHFFFAOYSA-N -2 0 345.329 2.084 20 0 EEADRL CCCSc1nc(=NC(=O)NCCC(C)(C)C(=O)[O-])s[n-]1 ZINC000424387867 467036970 /nfs/dbraw/zinc/03/69/70/467036970.db2.gz XXJAEOMQJWKKHT-UHFFFAOYSA-N -2 0 332.451 2.085 20 0 EEADRL CCC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000433601836 467341943 /nfs/dbraw/zinc/34/19/43/467341943.db2.gz ATHFUSPKNLJMBD-UHFFFAOYSA-N -2 0 349.364 2.484 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2O)cc1C(=O)[O-] ZINC000433824547 467356795 /nfs/dbraw/zinc/35/67/95/467356795.db2.gz BAYJDNFRIMRNTQ-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)CCC1CC1 ZINC000515299717 467983380 /nfs/dbraw/zinc/98/33/80/467983380.db2.gz YFARFAOORRXQLG-SECBINFHSA-N -2 0 345.392 2.390 20 0 EEADRL C[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3F)cc2[O-])[C@H]1C(=O)[O-] ZINC000518755502 468125120 /nfs/dbraw/zinc/12/51/20/468125120.db2.gz AMSUXXKXQKKVBK-MEBBXXQBSA-N -2 0 347.346 2.042 20 0 EEADRL CCC(=O)c1ccc([O-])c([N-]S(=O)(=O)C[C@H](OC)C(C)C)c1 ZINC000647133721 470837672 /nfs/dbraw/zinc/83/76/72/470837672.db2.gz XCVWBNJZASUYPB-HNNXBMFYSA-N -2 0 329.418 2.398 20 0 EEADRL CC[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000656718001 471819234 /nfs/dbraw/zinc/81/92/34/471819234.db2.gz MYSCIPSYXBHHKV-LBPRGKRZSA-N -2 0 341.360 2.417 20 0 EEADRL CCc1ccc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)cc1C(=O)[O-] ZINC000676722712 486292409 /nfs/dbraw/zinc/29/24/09/486292409.db2.gz NKNKOMGJFLVAEN-UHFFFAOYSA-N -2 0 347.396 2.415 20 0 EEADRL COC(=O)c1csc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c1 ZINC000350730593 536855509 /nfs/dbraw/zinc/85/55/09/536855509.db2.gz UVKHZVAFTSXQDW-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2O)ccc1O ZINC000740089309 576358398 /nfs/dbraw/zinc/35/83/98/576358398.db2.gz DNBLACCQOYKCSZ-UHFFFAOYSA-N -2 0 343.744 2.250 20 0 EEADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-]C[C@@]1(CC(=O)[O-])CC[C@@H](C)C1 ZINC000776627954 577464868 /nfs/dbraw/zinc/46/48/68/577464868.db2.gz YVCMEJNPNAWZBM-KKZNHRDASA-N -2 0 331.356 2.138 20 0 EEADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)c1 ZINC000761950668 577692201 /nfs/dbraw/zinc/69/22/01/577692201.db2.gz KFAWEIYYIUYILO-UHFFFAOYSA-N -2 0 344.751 2.302 20 0 EEADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000748674305 577965683 /nfs/dbraw/zinc/96/56/83/577965683.db2.gz PRCKEURYYUOILG-UHFFFAOYSA-N -2 0 343.792 2.135 20 0 EEADRL O=C([O-])COc1ccc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000739823171 578069063 /nfs/dbraw/zinc/06/90/63/578069063.db2.gz GILKDQWDPQCDNG-HNNXBMFYSA-N -2 0 343.335 2.347 20 0 EEADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1C ZINC000390582078 599736461 /nfs/dbraw/zinc/73/64/61/599736461.db2.gz YAADKVNDFNWGEU-UHFFFAOYSA-N -2 0 338.341 2.045 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2nc3ccsc3s2)cc1C(=O)[O-] ZINC000833055777 600830604 /nfs/dbraw/zinc/83/06/04/600830604.db2.gz OBTGXQKUWPOBRN-UHFFFAOYSA-N -2 0 343.411 2.195 20 0 EEADRL O=C([O-])[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000833183843 601235071 /nfs/dbraw/zinc/23/50/71/601235071.db2.gz KVTKTOHHJLCODQ-VHSXEESVSA-N -2 0 345.804 2.036 20 0 EEADRL CCOc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n1 ZINC000830104673 601362476 /nfs/dbraw/zinc/36/24/76/601362476.db2.gz LREBCLZIKLNEBJ-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL COc1ccc(C)nc1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000832266362 601362667 /nfs/dbraw/zinc/36/26/67/601362667.db2.gz ZQGILUXFMUWDMH-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cccc(Cl)c1O ZINC000833346477 601484485 /nfs/dbraw/zinc/48/44/85/601484485.db2.gz QFKGBNATCZUCJC-UHFFFAOYSA-N -2 0 334.762 2.001 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1nnc(C(C)C)s1 ZINC000832853041 601503919 /nfs/dbraw/zinc/50/39/19/601503919.db2.gz QNEUOKSNPQDRHJ-UHFFFAOYSA-N -2 0 341.414 2.469 20 0 EEADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000833347094 601603180 /nfs/dbraw/zinc/60/31/80/601603180.db2.gz UGGWACQJZKOBJC-UHFFFAOYSA-N -2 0 336.753 2.435 20 0 EEADRL O=C([O-])c1csc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000833343808 602116280 /nfs/dbraw/zinc/11/62/80/602116280.db2.gz PVVQZHVMXZPTPP-UHFFFAOYSA-N -2 0 325.367 2.277 20 0 EEADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)c1 ZINC000824324654 603861319 /nfs/dbraw/zinc/86/13/19/603861319.db2.gz YDYPJEUXKCJHME-UHFFFAOYSA-N -2 0 338.389 2.430 20 0 EEADRL O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000833232826 604295195 /nfs/dbraw/zinc/29/51/95/604295195.db2.gz NXNIIZLUNFTJOP-SNVBAGLBSA-N -2 0 345.754 2.281 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2nnc(C(F)F)s2)cc1C(=O)[O-] ZINC000833750991 604540973 /nfs/dbraw/zinc/54/09/73/604540973.db2.gz LFDNCRZCXNRLRW-UHFFFAOYSA-N -2 0 349.340 2.283 20 0 EEADRL Cc1sc([N-]S(=O)(=O)c2cncc(F)c2)c(C(=O)[O-])c1C ZINC000833758236 605022728 /nfs/dbraw/zinc/02/27/28/605022728.db2.gz SONWCYFSSRZOAD-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL COc1ccc(C)nc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000833731283 605167741 /nfs/dbraw/zinc/16/77/41/605167741.db2.gz UOBNCKBCJMRSFI-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833727208 605188290 /nfs/dbraw/zinc/18/82/90/605188290.db2.gz PRLPTLUYHMZUMR-UHFFFAOYSA-N -2 0 333.268 2.065 20 0 EEADRL Cc1cnc(N)c(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])c(F)c2)c1 ZINC000833754265 605265516 /nfs/dbraw/zinc/26/55/16/605265516.db2.gz VSEFVVCNDIFLRZ-UHFFFAOYSA-N -2 0 340.336 2.002 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]NC(=O)NC2CCCC2)c(Cl)c1 ZINC000065832997 680048123 /nfs/dbraw/zinc/04/81/23/680048123.db2.gz JMPFVIMPSNPSSK-UHFFFAOYSA-N -2 0 331.825 2.084 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000047417678 681989007 /nfs/dbraw/zinc/98/90/07/681989007.db2.gz PWEFXZITSCJPBL-UHFFFAOYSA-N -2 0 340.288 2.233 20 0 EEADRL CC(C)Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)C)cc1 ZINC000863958838 1197937308 /nfs/dbraw/zinc/93/73/08/1197937308.db2.gz LHRYLBOFKDZPDH-CQSZACIVSA-N -2 0 341.429 2.047 20 0 EEADRL CCn1ncc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1C ZINC001188277656 1279826179 /nfs/dbraw/zinc/82/61/79/1279826179.db2.gz ZGKQJLQFUGWWQW-UHFFFAOYSA-N -2 0 343.792 2.364 20 0 EEADRL CCn1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c(C)n1 ZINC001192106417 1281801314 /nfs/dbraw/zinc/80/13/14/1281801314.db2.gz DUVBLMSQMYYKLZ-UHFFFAOYSA-N -2 0 337.401 2.029 20 0 EEADRL O=P([O-])([O-])OCCNC(=S)Nc1ccc(C(F)(F)F)cc1 ZINC001196198353 1283941859 /nfs/dbraw/zinc/94/18/59/1283941859.db2.gz GXMMPFUZXPJBAC-UHFFFAOYSA-N -2 0 344.251 2.101 20 0 EEADRL COC(=O)[C@H]1CCC[C@H](Oc2ccc(OP(=O)([O-])[O-])cc2)C1 ZINC001234333498 1304878962 /nfs/dbraw/zinc/87/89/62/1304878962.db2.gz WPCCVXQWJXIPGU-GWCFXTLKSA-N -2 0 330.273 2.269 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cncc(OCC(F)(F)F)n2)c1 ZINC001242161378 1309624429 /nfs/dbraw/zinc/62/44/29/1309624429.db2.gz YGURZIWYAWLSIN-UHFFFAOYSA-N -2 0 342.229 2.481 20 0 EEADRL CN1CCc2ccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)cc2C1=O ZINC001242163807 1309625320 /nfs/dbraw/zinc/62/53/20/1309625320.db2.gz MOKQBSVJYFVUNM-UHFFFAOYSA-N -2 0 325.320 2.378 20 0 EEADRL O=C([O-])c1ccc(-c2ccc3c(c2)C(=O)[N-]S3(=O)=O)c(Cl)c1 ZINC001245372812 1310086242 /nfs/dbraw/zinc/08/62/42/1310086242.db2.gz RNLDARCJIKRKGQ-UHFFFAOYSA-N -2 0 337.740 2.137 20 0 EEADRL O=S(=O)([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC001251146264 1317424242 /nfs/dbraw/zinc/42/42/42/1317424242.db2.gz KHSQQFALILECSN-UHFFFAOYSA-N -2 0 347.801 2.388 20 0 EEADRL Cn1cc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)ccc2n1 ZINC001260214872 1319833650 /nfs/dbraw/zinc/83/36/50/1319833650.db2.gz QGKQQOSHELSYSG-UHFFFAOYSA-N -2 0 349.343 2.211 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2O)c1 ZINC001260216148 1319834270 /nfs/dbraw/zinc/83/42/70/1319834270.db2.gz UNODNCZGUCZUTB-UHFFFAOYSA-N -2 0 347.270 2.309 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2O)cc1 ZINC001260227979 1319840019 /nfs/dbraw/zinc/84/00/19/1319840019.db2.gz QHBKANBNRBDSHX-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)CC2(C)CCCC2)oc1C(=O)[O-] ZINC001600297447 1350013899 /nfs/dbraw/zinc/01/38/99/1350013899.db2.gz PTPYKSFNGAORGB-UHFFFAOYSA-N -2 0 329.374 2.062 20 0 EEADRL O=C([O-])c1cncc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c1 ZINC001602543647 1350542742 /nfs/dbraw/zinc/54/27/42/1350542742.db2.gz OIJSHYSKAPZLHU-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL Cc1cc([C@@H](NCC(=O)[N-]OCc2ccccc2)C(=O)[O-])ccc1F ZINC001607612408 1351525262 /nfs/dbraw/zinc/52/52/62/1351525262.db2.gz NQWGDWMDJXQUHB-QGZVFWFLSA-N -2 0 346.358 2.097 20 0 EEADRL Nc1c([N-]S(=O)(=O)c2cccc(F)c2F)cccc1C(=O)[O-] ZINC001608272423 1351660284 /nfs/dbraw/zinc/66/02/84/1351660284.db2.gz OOMLURCLTZAIGJ-UHFFFAOYSA-N -2 0 328.296 2.046 20 0 EEADRL O=C([O-])[C@@H]1CCN(C(=O)c2cc3c(cc2O)OCO3)[C@@H]2CCCC[C@@H]12 ZINC001608633142 1351730213 /nfs/dbraw/zinc/73/02/13/1351730213.db2.gz RHWRHJMOPZALSM-DMDPSCGWSA-N -2 0 347.367 2.226 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)nn1 ZINC001608905320 1351791025 /nfs/dbraw/zinc/79/10/25/1351791025.db2.gz QAUGWRWWJWRNSA-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL O=C([O-])c1cncc(S(=O)(=O)[N-]c2ccc(C3CCC3)cn2)c1 ZINC001608983032 1351808042 /nfs/dbraw/zinc/80/80/42/1351808042.db2.gz KLDDBERUYNAIDG-UHFFFAOYSA-N -2 0 333.369 2.243 20 0 EEADRL O=C([O-])c1sccc1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC001609009967 1351813460 /nfs/dbraw/zinc/81/34/60/1351813460.db2.gz SRTICJSDXZGICE-UHFFFAOYSA-N -2 0 336.753 2.435 20 0 EEADRL CC(C)(C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)C1CCC1 ZINC001609647645 1352049751 /nfs/dbraw/zinc/04/97/51/1352049751.db2.gz CTAKCPFPFYWHIB-UHFFFAOYSA-N -2 0 339.413 2.157 20 0 EEADRL COc1cccc([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])c1O ZINC001610357417 1352210371 /nfs/dbraw/zinc/21/03/71/1352210371.db2.gz YEOMVVUNLBFZMQ-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)N[C@H](C)CCCCC(=O)[O-] ZINC001610409046 1352218347 /nfs/dbraw/zinc/21/83/47/1352218347.db2.gz VFXRMLGONQEHPY-SNVBAGLBSA-N -2 0 343.401 2.005 20 0 EEADRL Cc1cccc(NS(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1C(=O)[O-] ZINC001610523978 1352238540 /nfs/dbraw/zinc/23/85/40/1352238540.db2.gz MZHHWUAMVUCUNI-PWSUYJOCSA-N -2 0 341.385 2.078 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(n2)CCC3)ccc1F ZINC001610816972 1352279515 /nfs/dbraw/zinc/27/95/15/1352279515.db2.gz JUGULKCRUMVEHN-UHFFFAOYSA-N -2 0 336.344 2.208 20 0 EEADRL COc1cccc(NC(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)c1C ZINC001580070931 1344464242 /nfs/dbraw/zinc/46/42/42/1344464242.db2.gz JSIJUBOTOMLDSG-UHFFFAOYSA-N -2 0 325.328 2.142 20 0 EEADRL Cc1cc(C(=O)N2C[C@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)c(C)s1 ZINC001600079279 1349967028 /nfs/dbraw/zinc/96/70/28/1349967028.db2.gz LDYKYCIQSQNRBM-YZKWQOGNSA-N -2 0 337.397 2.003 20 0 EEADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cccc(C(C)(F)F)c2)c1C(=O)[O-] ZINC001600674413 1350114240 /nfs/dbraw/zinc/11/42/40/1350114240.db2.gz OWKXBMLYCYKGPY-UHFFFAOYSA-N -2 0 345.327 2.329 20 0 EEADRL Cc1noc(C)c1S(=O)(=O)[N-]c1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001600809751 1350141678 /nfs/dbraw/zinc/14/16/78/1350141678.db2.gz JSEBBHJTXGPVCZ-UHFFFAOYSA-N -2 0 335.341 2.272 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cnn(CC3CC3)c2)c1C(=O)[O-] ZINC001600838450 1350148651 /nfs/dbraw/zinc/14/86/51/1350148651.db2.gz LPWMKXWQTBSXCI-UHFFFAOYSA-N -2 0 339.373 2.002 20 0 EEADRL O=C([O-])[C@H]1c2ccccc2OCCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC001601870311 1350385921 /nfs/dbraw/zinc/38/59/21/1350385921.db2.gz DDONKHHUJGYZSQ-CQSZACIVSA-N -2 0 349.289 2.331 20 0 EEADRL O=C([O-])CCCNC(=O)N[C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001601991511 1350412577 /nfs/dbraw/zinc/41/25/77/1350412577.db2.gz TXOHLFYICOJDFL-NSHDSACASA-N -2 0 348.277 2.152 20 0 EEADRL O=C([O-])[C@H]1C[C@@H](S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)C1 ZINC001602221681 1350469977 /nfs/dbraw/zinc/46/99/77/1350469977.db2.gz RTNNZBYWWDXPMO-OUAUKWLOSA-N -2 0 337.319 2.073 20 0 EEADRL O=C([O-])c1ccc(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)c(F)c1 ZINC001602324035 1350494524 /nfs/dbraw/zinc/49/45/24/1350494524.db2.gz AMEUORXBSZMRNJ-UHFFFAOYSA-N -2 0 343.270 2.120 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccnn2CC2CCC2)cc1 ZINC001602385306 1350507793 /nfs/dbraw/zinc/50/77/93/1350507793.db2.gz DUPOCYQOLNVWHQ-UHFFFAOYSA-N -2 0 335.385 2.182 20 0 EEADRL O=C([O-])c1ccsc1N1CC[C@H]([N-]c2nc(C3CCC3)no2)C1=O ZINC001602491224 1350531107 /nfs/dbraw/zinc/53/11/07/1350531107.db2.gz YQVXJSKKQVNADA-JTQLQIEISA-N -2 0 348.384 2.314 20 0 EEADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)[C@H]1CCCC2(CC2)C1 ZINC001602599171 1350554305 /nfs/dbraw/zinc/55/43/05/1350554305.db2.gz PMIRNQDBSRJZME-VIFPVBQESA-N -2 0 343.426 2.222 20 0 EEADRL C[C@@H](Cc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])cc1)C(=O)[O-] ZINC001604227428 1350898081 /nfs/dbraw/zinc/89/80/81/1350898081.db2.gz AAMBYRHQDIBCRL-KYBZKERUSA-N -2 0 343.379 2.411 20 0 EEADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2nccc(C3CC3)n2)c1C ZINC001607595017 1351521318 /nfs/dbraw/zinc/52/13/18/1351521318.db2.gz PHLDJIBRKOBPQS-UHFFFAOYSA-N -2 0 347.396 2.470 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccnc2N2CCCC2)c1 ZINC000324819354 1409868970 /nfs/dbraw/zinc/86/89/70/1409868970.db2.gz GGHXNNFPAGHSJJ-UHFFFAOYSA-N -2 0 347.396 2.181 20 0 EEADRL COc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1C ZINC001211624938 761213205 /nfs/dbraw/zinc/21/32/05/761213205.db2.gz XXFMYTPZXBPASW-UHFFFAOYSA-N -2 0 336.369 2.085 20 0 EEADRL COc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C)c1 ZINC001211658395 769748527 /nfs/dbraw/zinc/74/85/27/769748527.db2.gz MGVJLRWBMVESQT-UHFFFAOYSA-N -2 0 336.369 2.085 20 0 EEADRL Cc1nc(OCc2ccccc2)ccc1NCCOP(=O)([O-])[O-] ZINC001168591542 790772735 /nfs/dbraw/zinc/77/27/35/790772735.db2.gz UUIQCTJTCQEFHK-UHFFFAOYSA-N -2 0 338.300 2.490 20 0 EEADRL CC[C@H](CC1CCCC1)C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910188249 786520209 /nfs/dbraw/zinc/52/02/09/786520209.db2.gz KJDHTBYUANMWGZ-MGPQQGTHSA-N -2 0 325.405 2.369 20 0 EEADRL Nc1ccccc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175319984 798075077 /nfs/dbraw/zinc/07/50/77/798075077.db2.gz LICGGEGAUUNPAR-UHFFFAOYSA-N -2 0 326.761 2.421 20 0 EEADRL C[C@@H](C(=O)NCCOP(=O)([O-])[O-])c1ccc(F)c2ccccc21 ZINC001183511104 801633526 /nfs/dbraw/zinc/63/35/26/801633526.db2.gz ZRILKNMTSJRRQB-SNVBAGLBSA-N -2 0 341.275 2.308 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2ncccc2C2CC2)cc1C(=O)[O-] ZINC001185275678 802433460 /nfs/dbraw/zinc/43/34/60/802433460.db2.gz PHNDAZDTTBKJPH-UHFFFAOYSA-N -2 0 348.380 2.467 20 0 EEADRL Cn1nc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cc1C(=O)[O-] ZINC000790006358 808329481 /nfs/dbraw/zinc/32/94/81/808329481.db2.gz XYBGRNXSBKERPY-UHFFFAOYSA-N -2 0 337.401 2.217 20 0 EEADRL CC(C)(C)CC[C@@H](NC(=O)CSc1n[n-]c(=S)s1)C(=O)[O-] ZINC001602861380 971720360 /nfs/dbraw/zinc/72/03/60/971720360.db2.gz UZBRIMHRMIKTNB-SSDOTTSWSA-N -2 0 349.503 2.315 20 0 EEADRL O=C([O-])CC[C@H]1C[C@H](C(=O)Nc2cc(Cl)c([O-])cc2F)CO1 ZINC001595003546 951166987 /nfs/dbraw/zinc/16/69/87/951166987.db2.gz DXYURAOQIKWTSR-YUMQZZPRSA-N -2 0 331.727 2.393 20 0 EEADRL O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)c1cccc(Cl)c1[O-] ZINC001594785353 953663622 /nfs/dbraw/zinc/66/36/22/953663622.db2.gz GYKNJISBJRYJQZ-ZDUSSCGKSA-N -2 0 335.743 2.177 20 0 EEADRL N#Cc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1Cl ZINC000037393387 957273377 /nfs/dbraw/zinc/27/33/77/957273377.db2.gz AAOZVLWHHOYYDC-UHFFFAOYSA-N -2 0 325.733 2.039 20 0 EEADRL CC[C@@H](CNC(=O)c1cc(Br)c(F)cc1[O-])C(=O)[O-] ZINC001573804298 960841426 /nfs/dbraw/zinc/84/14/26/960841426.db2.gz PJKMQASGKPEHBC-LURJTMIESA-N -2 0 334.141 2.134 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)C[C@H]2C[C@H]2Cc2ccccc2)C1 ZINC001553010294 1125484409 /nfs/dbraw/zinc/48/44/09/1125484409.db2.gz GKZOHSMSGYRVMU-KLHDSHLOSA-N -2 0 345.395 2.032 20 0 EEADRL Cn1nc(C(=O)[O-])cc1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC001605539090 973734728 /nfs/dbraw/zinc/73/47/28/973734728.db2.gz KJEXJKYUXHBBEX-UHFFFAOYSA-N -2 0 330.127 2.383 20 0 EEADRL C[C@](CC(=O)[O-])(NC(=O)c1cc(F)cc(F)c1[O-])c1cccnc1 ZINC001592303041 977654124 /nfs/dbraw/zinc/65/41/24/977654124.db2.gz GTYBCOAYJLFHPE-MRXNPFEDSA-N -2 0 336.294 2.185 20 0 EEADRL C[C@@H](CCC[C@H](C)C(=O)[O-])NS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001592478751 978253410 /nfs/dbraw/zinc/25/34/10/978253410.db2.gz YAHUAZBYSXSKGU-IUCAKERBSA-N -2 0 349.430 2.004 20 0 EEADRL C[C@H](CS(=O)(=O)[N-]C(=O)C12CCC(C(=O)[O-])(CC1)C2)C(C)(C)C ZINC001592800834 979460771 /nfs/dbraw/zinc/46/07/71/979460771.db2.gz ROXAKJIUEKSPHK-VHWKEVPUSA-N -2 0 345.461 2.150 20 0 EEADRL CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1c(C)csc1C(=O)[O-] ZINC001595538473 981392251 /nfs/dbraw/zinc/39/22/51/981392251.db2.gz SXKGBPQPJAXNIH-VIFPVBQESA-N -2 0 349.430 2.228 20 0 EEADRL O=C([O-])CCCNC(=O)Nc1cccc(C(=O)[O-])c1Br ZINC001601991685 1118770160 /nfs/dbraw/zinc/77/01/60/1118770160.db2.gz ADDDGQSGVMYHRD-UHFFFAOYSA-N -2 0 345.149 2.134 20 0 EEADRL CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001594965409 982721767 /nfs/dbraw/zinc/72/17/67/982721767.db2.gz VSEYRCAOFBHFCN-LLVKDONJSA-N -2 0 336.388 2.081 20 0 EEADRL C/C(=C/C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C)C(C)(C)C ZINC001588942671 984637960 /nfs/dbraw/zinc/63/79/60/984637960.db2.gz QJIQCBOBUCWDRT-VURMDHGXSA-N -2 0 329.374 2.084 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)[nH]nc1-c1ccccc1 ZINC001599969910 985987691 /nfs/dbraw/zinc/98/76/91/985987691.db2.gz YOZICPSLJKUVIP-UHFFFAOYSA-N -2 0 347.352 2.477 20 0 EEADRL CCc1[nH]nc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)c1C ZINC001597399583 987657662 /nfs/dbraw/zinc/65/76/62/987657662.db2.gz JFELIZVNWRBNDS-UHFFFAOYSA-N -2 0 345.327 2.058 20 0 EEADRL CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)nc(C)n1 ZINC001597482670 987981464 /nfs/dbraw/zinc/98/14/64/987981464.db2.gz RNTSGUULTBRTOS-UHFFFAOYSA-N -2 0 349.412 2.463 20 0 EEADRL CC(C)(NC(=O)c1ccc2oc(=S)[n-]c2c1)c1cc(C(=O)[O-])on1 ZINC001590864162 990756670 /nfs/dbraw/zinc/75/66/70/990756670.db2.gz QHYYNEXGBVBDSG-UHFFFAOYSA-N -2 0 347.352 2.468 20 0 EEADRL CC1(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])CCCCC1 ZINC001593755182 996402406 /nfs/dbraw/zinc/40/24/06/996402406.db2.gz NDOQUPCSAHALOL-UHFFFAOYSA-N -2 0 331.415 2.222 20 0 EEADRL CO[C@@H]1CCC[C@H]([C@H](NC(=O)c2cc(F)cc(F)c2[O-])C(=O)[O-])C1 ZINC001599106479 997486594 /nfs/dbraw/zinc/48/65/94/997486594.db2.gz HFWPDINJOYRQIM-PLMOITTCSA-N -2 0 343.326 2.059 20 0 EEADRL COc1cc(S(=O)(=O)[N-]c2sc(C)nc2C)ccc1C(=O)[O-] ZINC001599461451 998279239 /nfs/dbraw/zinc/27/92/39/998279239.db2.gz UZTPKFPKZGYYMH-UHFFFAOYSA-N -2 0 342.398 2.268 20 0 EEADRL CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cccnc2C(=O)[O-])c1 ZINC001599040852 999116563 /nfs/dbraw/zinc/11/65/63/999116563.db2.gz AJMKTANBYZMBIT-SNVBAGLBSA-N -2 0 336.369 2.288 20 0 EEADRL C[C@H]1CCN(Cc2ncc(Br)cc2[O-])[C@H](C(=O)[O-])C1 ZINC001594427614 999598035 /nfs/dbraw/zinc/59/80/35/999598035.db2.gz WKAJGKBZMBJSHC-KWQFWETISA-N -2 0 329.194 2.235 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(C)(C)C)[nH]n1 ZINC000317783456 539751149 /nfs/dbraw/zinc/75/11/49/539751149.db2.gz VXNLVQORPAMXOI-UHFFFAOYSA-N -2 0 327.362 2.108 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCO2 ZINC000266811846 201221371 /nfs/dbraw/zinc/22/13/71/201221371.db2.gz WGYZOAPZLBVGMG-UHFFFAOYSA-N -2 0 337.353 2.412 20 0 EEADRL COc1cncc(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)c1 ZINC000337199126 160611573 /nfs/dbraw/zinc/61/15/73/160611573.db2.gz YNVPCNZOHNWRIN-UHFFFAOYSA-N -2 0 347.352 2.071 20 0 EEADRL CCc1nc(C)c(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)s1 ZINC000341666281 161004099 /nfs/dbraw/zinc/00/40/99/161004099.db2.gz FCELOKNSPGTTCT-UHFFFAOYSA-N -2 0 345.384 2.324 20 0 EEADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cc(C)oc2C)c1 ZINC000345088358 161270419 /nfs/dbraw/zinc/27/04/19/161270419.db2.gz DISCRZLCGDQEQY-UHFFFAOYSA-N -2 0 325.342 2.404 20 0 EEADRL Cn1ncc2c1[n-]cc(C(=O)Nc1cc(Cl)c([O-])cc1F)c2=O ZINC000345595436 161314493 /nfs/dbraw/zinc/31/44/93/161314493.db2.gz WCSXRXQAMBKKPM-UHFFFAOYSA-N -2 0 336.710 2.424 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2c[nH]cn2)ccc1-n1cccc1C(=O)[O-] ZINC000346676472 161391289 /nfs/dbraw/zinc/39/12/89/161391289.db2.gz DSNRRXQDGHZVHJ-UHFFFAOYSA-N -2 0 346.368 2.008 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000368039944 166040913 /nfs/dbraw/zinc/04/09/13/166040913.db2.gz YOAURAVAVAKDEV-UHFFFAOYSA-N -2 0 335.385 2.027 20 0 EEADRL CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000360512543 164326563 /nfs/dbraw/zinc/32/65/63/164326563.db2.gz DESQDOCHCXFMPQ-UHFFFAOYSA-N -3 0 337.353 2.290 20 0 EEADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1c(C)cc(C)cc1C(=O)[O-] ZINC000171268352 302750316 /nfs/dbraw/zinc/75/03/16/302750316.db2.gz DTZWDDMSSKEUGH-UHFFFAOYSA-N -2 0 337.401 2.153 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1O ZINC000314365403 311588349 /nfs/dbraw/zinc/58/83/49/311588349.db2.gz XQNZCIOFLZJEPI-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL COc1cncc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000541910129 318117949 /nfs/dbraw/zinc/11/79/49/318117949.db2.gz OWGKLFPGCDWTKO-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL COc1cc(/C=C\c2cc(C(=O)[O-])ncn2)ccc1OCCC(=O)[O-] ZINC000546596144 318253905 /nfs/dbraw/zinc/25/39/05/318253905.db2.gz GHAQWFPLDDEFBT-RQOWECAXSA-N -2 0 344.323 2.207 20 0 EEADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1ccccc1F ZINC000548246906 318367783 /nfs/dbraw/zinc/36/77/83/318367783.db2.gz DDNDCWIFQHWCKZ-XCBNKYQSSA-N -2 0 343.298 2.212 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)ccc2C(=O)[O-])cn1 ZINC000566482761 319294094 /nfs/dbraw/zinc/29/40/94/319294094.db2.gz XECGXKNGTRLVDG-UHFFFAOYSA-N -2 0 337.401 2.217 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(OC(F)F)nc2)c1 ZINC000339097455 465080250 /nfs/dbraw/zinc/08/02/50/465080250.db2.gz XROLOFVBGMVTDX-UHFFFAOYSA-N -2 0 344.295 2.182 20 0 EEADRL CCc1nn(C)cc1[N-]S(=O)(=O)c1ccc(CC)c(C(=O)[O-])c1 ZINC000091021909 462820897 /nfs/dbraw/zinc/82/08/97/462820897.db2.gz MYCQQDDNMMNGOI-UHFFFAOYSA-N -2 0 337.401 2.044 20 0 EEADRL CCOc1ncccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000037040814 463441715 /nfs/dbraw/zinc/44/17/15/463441715.db2.gz QODSMAMGPDDQMM-UHFFFAOYSA-N -2 0 328.371 2.041 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)cnn1C ZINC000362428999 465730054 /nfs/dbraw/zinc/73/00/54/465730054.db2.gz DWYGKFUEUBCQCP-UHFFFAOYSA-N -2 0 337.401 2.351 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cs1 ZINC000316324026 466571357 /nfs/dbraw/zinc/57/13/57/466571357.db2.gz OCBKGGVAYVQVBK-UHFFFAOYSA-N -2 0 341.366 2.018 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)c(F)c1 ZINC000324251917 466645357 /nfs/dbraw/zinc/64/53/57/466645357.db2.gz IFEHFIIIFOWFAS-UHFFFAOYSA-N -2 0 337.328 2.355 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)cc1C(=O)[O-] ZINC000324843032 466650766 /nfs/dbraw/zinc/65/07/66/466650766.db2.gz FLQWSYUTAMCLOS-UHFFFAOYSA-N -2 0 345.380 2.315 20 0 EEADRL COc1ccccc1N(C)C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000607031730 469663189 /nfs/dbraw/zinc/66/31/89/469663189.db2.gz ZCOKOACNQHLDIA-UHFFFAOYSA-N -2 0 340.339 2.030 20 0 EEADRL CC(=O)Nc1ccc([O-])c(C(=O)N=c2nc(CC(C)C)[n-]s2)c1 ZINC000618348341 469969563 /nfs/dbraw/zinc/96/95/63/469969563.db2.gz KSOHOCYWEWYQSF-UHFFFAOYSA-N -2 0 334.401 2.075 20 0 EEADRL CC(C)C[C@@H](CNC(=O)N1CCC(CCC(=O)[O-])CC1)C(=O)[O-] ZINC000659409472 471611993 /nfs/dbraw/zinc/61/19/93/471611993.db2.gz OTXZQVWWJUCXLS-ZDUSSCGKSA-N -2 0 328.409 2.020 20 0 EEADRL Cc1cc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc(C(=O)[O-])c1 ZINC000507571289 485503858 /nfs/dbraw/zinc/50/38/58/485503858.db2.gz VLIAKYMTRQYAOR-UHFFFAOYSA-N -2 0 349.364 2.121 20 0 EEADRL Cc1cccc([C@H](CC(=O)[O-])[N-]S(=O)(=O)[C@@H](C)C(F)(F)F)c1 ZINC000776472066 577460466 /nfs/dbraw/zinc/46/04/66/577460466.db2.gz BEGIWYCMAHABTN-ONGXEEELSA-N -2 0 339.335 2.381 20 0 EEADRL COc1ncccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000753774747 577793217 /nfs/dbraw/zinc/79/32/17/577793217.db2.gz GHTBVOLARPYXMN-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL O=C([O-])Nc1cc(NC(=O)C(=O)[N-]OCc2ccccc2)ccc1F ZINC000740004912 578077018 /nfs/dbraw/zinc/07/70/18/578077018.db2.gz AMHVVJJHUXKAIL-UHFFFAOYSA-N -2 0 347.302 2.102 20 0 EEADRL C[C@@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736540756 578210250 /nfs/dbraw/zinc/21/02/50/578210250.db2.gz KROVIAVKVYOZKG-QMMMGPOBSA-N -2 0 341.414 2.415 20 0 EEADRL C[C@@H](CN(C)C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C(=O)[O-] ZINC000827443056 601387464 /nfs/dbraw/zinc/38/74/64/601387464.db2.gz XBNUJVGJRIZTMY-VIFPVBQESA-N -2 0 337.763 2.024 20 0 EEADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cnc2ccccc2c1 ZINC000833346106 601768661 /nfs/dbraw/zinc/76/86/61/601768661.db2.gz KPGNJEBGLKOTMJ-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL Cn1cc([N-]S(=O)(=O)c2cccc3cccnc32)cc1C(=O)[O-] ZINC000833052759 601785323 /nfs/dbraw/zinc/78/53/23/601785323.db2.gz HMQZSDZTMUEATL-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL O=C([O-])CCc1csc(NC(=O)c2cc(=O)c3ccccc3[n-]2)n1 ZINC000833240369 604347906 /nfs/dbraw/zinc/34/79/06/604347906.db2.gz IOGPRKBXAVKMGG-UHFFFAOYSA-N -2 0 343.364 2.254 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2nc(C3CC3)c(C(=O)[O-])s2)o1 ZINC000833750946 605013478 /nfs/dbraw/zinc/01/34/78/605013478.db2.gz IHBOZDGONPZEPM-UHFFFAOYSA-N -2 0 328.371 2.421 20 0 EEADRL CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833691596 605183873 /nfs/dbraw/zinc/18/38/73/605183873.db2.gz QIDURILOSVRSHQ-UHFFFAOYSA-N -2 0 344.776 2.498 20 0 EEADRL C[C@H]1CC(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C[C@H](C)C1 ZINC000833592861 605678504 /nfs/dbraw/zinc/67/85/04/605678504.db2.gz DOQAAHARYXEDFC-RKDXNWHRSA-N -2 0 345.442 2.324 20 0 EEADRL CC(C)(C)n1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cn1 ZINC000075081583 678807809 /nfs/dbraw/zinc/80/78/09/678807809.db2.gz ANXKBJUAMIHABF-UHFFFAOYSA-N -2 0 341.364 2.276 20 0 EEADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000863960027 1197937680 /nfs/dbraw/zinc/93/76/80/1197937680.db2.gz SFLRTAZTYRYVAM-UHFFFAOYSA-N -2 0 345.392 2.138 20 0 EEADRL CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C ZINC000863962531 1197938532 /nfs/dbraw/zinc/93/85/32/1197938532.db2.gz NXIPOANHSCQQDK-UONOGXRCSA-N -2 0 341.429 2.187 20 0 EEADRL Cc1c(=O)[n-]n(-c2ccccc2)c1[N-]S(=O)(=O)c1nccs1 ZINC001187923200 1279707771 /nfs/dbraw/zinc/70/77/71/1279707771.db2.gz JKAAJXMIFXPRCD-UHFFFAOYSA-N -2 0 336.398 2.144 20 0 EEADRL COC(=O)CCS(=O)(=O)[N-]c1cc(Cl)c(C)c(Cl)c1[O-] ZINC001188393690 1279862011 /nfs/dbraw/zinc/86/20/11/1279862011.db2.gz LNVUGWOTXDYBRK-UHFFFAOYSA-N -2 0 342.200 2.312 20 0 EEADRL CN(C)C(=O)c1cccc([N-]S(=O)(=O)CC2CCCC2)c1[O-] ZINC001191535890 1281445545 /nfs/dbraw/zinc/44/55/45/1281445545.db2.gz RAWHZKDBXYHDFC-UHFFFAOYSA-N -2 0 326.418 2.026 20 0 EEADRL COC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198782602 1285327918 /nfs/dbraw/zinc/32/79/18/1285327918.db2.gz LHVOLYCDJTWGMK-UHFFFAOYSA-N -2 0 349.364 2.281 20 0 EEADRL Cc1cc(-c2noc(-c3cc(S(=O)(=O)[O-])ccc3[O-])n2)cc(C)n1 ZINC001215454348 1296909796 /nfs/dbraw/zinc/90/97/96/1296909796.db2.gz VOUDTBGGDYTQDV-UHFFFAOYSA-N -2 0 347.352 2.368 20 0 EEADRL O=C([O-])CNC(=O)c1ccc(Nc2cc(CC(=O)[O-])ccc2F)cc1 ZINC001216685562 1297254128 /nfs/dbraw/zinc/25/41/28/1297254128.db2.gz UEPCPJSLQNCWIO-UHFFFAOYSA-N -2 0 346.314 2.011 20 0 EEADRL CC(C)Oc1cc(COc2nc(=O)[n-]c(=O)[nH]2)cc(OC(C)C)c1 ZINC001227569856 1301892274 /nfs/dbraw/zinc/89/22/74/1301892274.db2.gz GPZNRSSRYPIURM-UHFFFAOYSA-N -2 0 335.360 2.436 20 0 EEADRL COC(=O)[C@@H]1CCC[C@H](Oc2ccc(OP(=O)([O-])[O-])cc2)C1 ZINC001234333501 1304878891 /nfs/dbraw/zinc/87/88/91/1304878891.db2.gz WPCCVXQWJXIPGU-MFKMUULPSA-N -2 0 330.273 2.269 20 0 EEADRL O=P([O-])([O-])c1ccc(-c2ccc(OC3CCOCC3)nc2)cc1 ZINC001241699847 1309532861 /nfs/dbraw/zinc/53/28/61/1309532861.db2.gz ABTLYRNCTFRORJ-UHFFFAOYSA-N -2 0 335.296 2.109 20 0 EEADRL COc1ccc2ncnc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2n1 ZINC001242160105 1309622340 /nfs/dbraw/zinc/62/23/40/1309622340.db2.gz CJAFMFDOLOLJGQ-UHFFFAOYSA-N -2 0 325.280 2.097 20 0 EEADRL Cc1c2ccc(F)cc2sc1C(=O)NCCOP(=O)([O-])[O-] ZINC001156701498 1318169057 /nfs/dbraw/zinc/16/90/57/1318169057.db2.gz XYCYXTFOVKKYIQ-UHFFFAOYSA-N -2 0 333.277 2.188 20 0 EEADRL CSc1ccc(C(F)(F)NCCOP(=O)([O-])[O-])nc1Cl ZINC001157791427 1318863029 /nfs/dbraw/zinc/86/30/29/1318863029.db2.gz NRMSTTQXECEFKD-UHFFFAOYSA-N -2 0 348.695 2.205 20 0 EEADRL COC(=O)c1cscc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260221747 1319835091 /nfs/dbraw/zinc/83/50/91/1319835091.db2.gz QSLIRGKOYVHYBA-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL CC(C)(C)[C@@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cn[nH]c2)cc1 ZINC001260961266 1321988313 /nfs/dbraw/zinc/98/83/13/1321988313.db2.gz NGSMSNZFVRKHSM-CYBMUJFWSA-N -2 0 337.401 2.425 20 0 EEADRL O=C([O-])c1cc(NC(=O)C(=O)[N-]OC2CCCC2)cc2ccccc21 ZINC001608484170 1351702554 /nfs/dbraw/zinc/70/25/54/1351702554.db2.gz GGNZLNZSQUOBEH-UHFFFAOYSA-N -2 0 342.351 2.467 20 0 EEADRL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(F)(F)F ZINC001604354207 1350922197 /nfs/dbraw/zinc/92/21/97/1350922197.db2.gz OPJDCZGEIOXNAK-BYPYZUCNSA-N -2 0 349.689 2.406 20 0 EEADRL CCCCCC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001605262268 1351118490 /nfs/dbraw/zinc/11/84/90/1351118490.db2.gz ZNOLIBYXOMAXGE-LLVKDONJSA-N -2 0 347.389 2.022 20 0 EEADRL O=C([O-])CCN(CC(=O)[O-])C(=O)c1cc(C2CC2)nc2ccccc21 ZINC001608721069 1351749054 /nfs/dbraw/zinc/74/90/54/1351749054.db2.gz VVPCHMYJAMULQF-UHFFFAOYSA-N -2 0 342.351 2.114 20 0 EEADRL O=C([O-])c1cnc(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)[n-]1 ZINC001608831208 1351774108 /nfs/dbraw/zinc/77/41/08/1351774108.db2.gz OXIVAARXVATFIP-UHFFFAOYSA-N -2 0 334.275 2.101 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CC2(Cl)Cl)oc1Cl ZINC001608860821 1351780370 /nfs/dbraw/zinc/78/03/70/1351780370.db2.gz AYZSOEXPUDTODT-SCSAIBSYSA-N -2 0 348.591 2.103 20 0 EEADRL O=C([O-])c1cnc([C@@H]2CCN(C(=O)c3ccc(F)cc3[O-])C2)s1 ZINC001608969376 1351804716 /nfs/dbraw/zinc/80/47/16/1351804716.db2.gz RTEPFHGHDLXFPQ-MRVPVSSYSA-N -2 0 336.344 2.316 20 0 EEADRL CC[C@@H](CS(=O)(=O)[N-]c1nc(C(=O)[O-])c(C(C)C)s1)OC ZINC001609925845 1352121862 /nfs/dbraw/zinc/12/18/62/1352121862.db2.gz FPPHKPRFADIJLZ-QMMMGPOBSA-N -2 0 336.435 2.131 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC001610076562 1352156452 /nfs/dbraw/zinc/15/64/52/1352156452.db2.gz ASVGLFRGSRWPKZ-UHFFFAOYSA-N -2 0 330.749 2.389 20 0 EEADRL CCn1nc(C)c(S(=O)(=O)[N-]c2sccc2C(=O)[O-])c1C ZINC001610087500 1352159257 /nfs/dbraw/zinc/15/92/57/1352159257.db2.gz FOHJKEOWDAVGMS-UHFFFAOYSA-N -2 0 329.403 2.080 20 0 EEADRL COc1cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c(C(=O)[O-])cc1OC ZINC001610298923 1352201940 /nfs/dbraw/zinc/20/19/40/1352201940.db2.gz MMQNOOZBIWPWEM-UWVGGRQHSA-N -2 0 349.339 2.008 20 0 EEADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1c(C(=O)[O-])ccc2ccccc21 ZINC001610405197 1352217706 /nfs/dbraw/zinc/21/77/06/1352217706.db2.gz VVEGTRYVDKNAFB-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL Cc1[nH]nc2ncc([N-]S(=O)(=O)c3cccc(C)c3C(=O)[O-])cc12 ZINC001610526612 1352238917 /nfs/dbraw/zinc/23/89/17/1352238917.db2.gz LUJGHMIZLWOBJH-UHFFFAOYSA-N -2 0 346.368 2.074 20 0 EEADRL O=C([O-])[C@H]1CCN(C(=O)Nc2nc3ccccc3s2)[C@H](C(=O)[O-])C1 ZINC001610743854 1352267490 /nfs/dbraw/zinc/26/74/90/1352267490.db2.gz BZGFGSFSDPOCJZ-WPRPVWTQSA-N -2 0 349.368 2.078 20 0 EEADRL O=C([O-])CCCc1nnc([N-]C(=O)c2nc(Cl)cs2)s1 ZINC001610772503 1352272201 /nfs/dbraw/zinc/27/22/01/1352272201.db2.gz SAEUTBVXTPKHEL-UHFFFAOYSA-N -2 0 332.794 2.308 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)nn1 ZINC001610835976 1352282678 /nfs/dbraw/zinc/28/26/78/1352282678.db2.gz ONJLUYAAJBMZIH-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)c1cc(C)cc(C)c1 ZINC001600167021 1349984315 /nfs/dbraw/zinc/98/43/15/1349984315.db2.gz DRLXHYOCSPXUKP-UHFFFAOYSA-N -2 0 337.353 2.022 20 0 EEADRL Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])s2)c1 ZINC001600390770 1350037766 /nfs/dbraw/zinc/03/77/66/1350037766.db2.gz JHPYFTVTTCXZQF-UHFFFAOYSA-N -2 0 339.394 2.182 20 0 EEADRL O=C([O-])c1cc(NC(=O)C(=O)[N-]OC2CCC2)cc2ccccc21 ZINC001601563175 1350307267 /nfs/dbraw/zinc/30/72/67/1350307267.db2.gz GYCDSJFFKRGYGJ-UHFFFAOYSA-N -2 0 328.324 2.077 20 0 EEADRL O=C([O-])c1nc(NC(=O)c2ccc3oc(=O)nc-3[n-]2)sc1C1CC1 ZINC001601629797 1350323385 /nfs/dbraw/zinc/32/33/85/1350323385.db2.gz WSVOITVKBFGSKQ-UHFFFAOYSA-N -2 0 346.324 2.213 20 0 EEADRL O=C([O-])CCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1[O-] ZINC001601990066 1350412142 /nfs/dbraw/zinc/41/21/42/1350412142.db2.gz LMKRHTFHIRSKTE-UHFFFAOYSA-N -2 0 349.408 2.448 20 0 EEADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1cncc(F)c1 ZINC001602363608 1350504465 /nfs/dbraw/zinc/50/44/65/1350504465.db2.gz UZQKQCIXUSVFSL-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]c2n[nH]c3cccc(F)c32)c1 ZINC001602440995 1350520552 /nfs/dbraw/zinc/52/05/52/1350520552.db2.gz GYBALCWKHQJSCA-UHFFFAOYSA-N -2 0 349.343 2.342 20 0 EEADRL O=C([O-])c1cc2c(cc1F)NC(=O)/C2=C\c1ccc(O)c(C(=O)[O-])c1 ZINC001602661512 1350567860 /nfs/dbraw/zinc/56/78/60/1350567860.db2.gz TTXNPYOMWBKUJZ-OQFOIZHKSA-N -2 0 343.266 2.420 20 0 EEADRL C[C@H](C(=O)[O-])[C@@H](NS(=O)(=O)c1ccccc1[O-])c1ccccc1 ZINC001603191432 1350659896 /nfs/dbraw/zinc/65/98/96/1350659896.db2.gz RHAUERNRXHECSL-XHDPSFHLSA-N -2 0 335.381 2.133 20 0 EEADRL C[C@@H](C(=O)[O-])[C@@H](NS(=O)(=O)c1ccccc1[O-])c1ccccc1 ZINC001603191430 1350660123 /nfs/dbraw/zinc/66/01/23/1350660123.db2.gz RHAUERNRXHECSL-IAQYHMDHSA-N -2 0 335.381 2.133 20 0 EEADRL C[C@@H](C(=O)[O-])c1cccc([N-]S(=O)(=O)c2cc(C3CC3)nn2C)c1 ZINC001603221122 1350664222 /nfs/dbraw/zinc/66/42/22/1350664222.db2.gz HUVNCMLTVFTHLV-SNVBAGLBSA-N -2 0 349.412 2.286 20 0 EEADRL CC(C)(C(=O)[O-])[C@@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccccc1 ZINC001603247286 1350670604 /nfs/dbraw/zinc/67/06/04/1350670604.db2.gz OQPDTHKWHDNLLG-AWEZNQCLSA-N -2 0 342.351 2.362 20 0 EEADRL C[C@@H](CCC[C@H](C)C(=O)[O-])NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC001604132519 1350868103 /nfs/dbraw/zinc/86/81/03/1350868103.db2.gz PRPGVYVNUFXFJX-IUCAKERBSA-N -2 0 349.430 2.004 20 0 EEADRL C[C@@H]1CN(c2cc(C(F)(F)F)c(C(=O)[O-])cn2)CC[C@@H]1C(=O)[O-] ZINC001604807861 1351011015 /nfs/dbraw/zinc/01/10/15/1351011015.db2.gz GIJLWLQPRWLKQR-SFYZADRCSA-N -2 0 332.278 2.346 20 0 EEADRL C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1c1ccc(C(=O)[O-])cn1 ZINC001604812096 1351012674 /nfs/dbraw/zinc/01/26/74/1351012674.db2.gz ZVCYVORCQPXVJC-GFCCVEGCSA-N -2 0 341.367 2.193 20 0 EEADRL CCCc1cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])n(C)n1 ZINC001605373455 1351147624 /nfs/dbraw/zinc/14/76/24/1351147624.db2.gz WZGVIDZGJCREIY-UHFFFAOYSA-N -2 0 341.364 2.011 20 0 EEADRL CO[C@H]1CN(C(=O)c2cccc(C(F)(F)F)c2[O-])[C@@](C)(C(=O)[O-])C1 ZINC001606765949 1351353751 /nfs/dbraw/zinc/35/37/51/1351353751.db2.gz WZPDMYPQRDLSPM-XLKFXECMSA-N -2 0 347.289 2.115 20 0 EEADRL COc1c([N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)cccc1C(=O)[O-] ZINC001607049282 1351403670 /nfs/dbraw/zinc/40/36/70/1351403670.db2.gz FOXZESQITFEJQL-UHFFFAOYSA-N -2 0 339.373 2.041 20 0 EEADRL Cc1c(NC(=O)C(=O)[N-]OCc2ccccc2)ccc(F)c1C(=O)[O-] ZINC001607536669 1351512288 /nfs/dbraw/zinc/51/22/88/1351512288.db2.gz LBWGYPVOLIVIJZ-UHFFFAOYSA-N -2 0 346.314 2.019 20 0 EEADRL Cc1c(NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-])ccc(F)c1C(=O)[O-] ZINC001607538007 1351512325 /nfs/dbraw/zinc/51/23/25/1351512325.db2.gz FVYFXLZCPYSLAA-YUMQZZPRSA-N -2 0 329.349 2.366 20 0 EEADRL Cc1noc(C)c1S(=O)(=O)[N-]c1nc(C(=O)[O-])c(C(C)C)s1 ZINC001608023269 1351608537 /nfs/dbraw/zinc/60/85/37/1351608537.db2.gz FYGLTRYHALHJOK-UHFFFAOYSA-N -2 0 345.402 2.370 20 0 EEADRL Cc1sc(N(C)Cc2nc(=O)c3sccc3[n-]2)nc1C(=O)[O-] ZINC001608069814 1351618209 /nfs/dbraw/zinc/61/82/09/1351618209.db2.gz FWJNOLSKURBJOO-UHFFFAOYSA-N -2 0 336.398 2.496 20 0 EEADRL Cc1cc(C)c([N-]S(=O)(=O)c2ccsc2)c(S(=O)(=O)[O-])c1 ZINC001185392177 1368151516 /nfs/dbraw/zinc/15/15/16/1368151516.db2.gz UTVVGSZIZRCFDI-UHFFFAOYSA-N -2 0 347.439 2.412 20 0 EEADRL Cc1ncnc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187548710 1368250139 /nfs/dbraw/zinc/25/01/39/1368250139.db2.gz WPLHGNLKJYDOLA-UHFFFAOYSA-N -2 0 341.776 2.246 20 0 EEADRL CCC[C@H](CC)S(=O)(=O)Nc1cc(C(=O)[O-])ccc1C(=O)[O-] ZINC001771825496 1409959417 /nfs/dbraw/zinc/95/94/17/1409959417.db2.gz ADYMQFYEYJJQTD-JTQLQIEISA-N -2 0 329.374 2.403 20 0 EEADRL CCCc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])s1 ZINC000910182642 786514345 /nfs/dbraw/zinc/51/43/45/786514345.db2.gz JMVKRPNQTQZEIB-KOLCDFICSA-N -2 0 325.386 2.091 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)CC[C@H]2CCc3ccccc32)C1 ZINC000910182110 786514863 /nfs/dbraw/zinc/51/48/63/786514863.db2.gz ICGJVJNZGUOOLC-IIAWOOMASA-N -2 0 345.395 2.273 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2ccc3ccccc3c2)C1 ZINC000910185771 786517959 /nfs/dbraw/zinc/51/79/59/786517959.db2.gz LCSLEKRLNHLZAN-HUUCEWRRSA-N -2 0 327.336 2.230 20 0 EEADRL Cc1cc(Cl)cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1 ZINC000910190731 786522840 /nfs/dbraw/zinc/52/28/40/786522840.db2.gz CEYRLPKWDJNLFO-BXKDBHETSA-N -2 0 325.748 2.038 20 0 EEADRL Cc1cc(Cl)c(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1C ZINC000910191740 786523791 /nfs/dbraw/zinc/52/37/91/786523791.db2.gz LGAPSGMGGWUMPJ-GXFFZTMASA-N -2 0 339.775 2.347 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)Cc2csc3ccccc23)C1 ZINC000910192440 786524202 /nfs/dbraw/zinc/52/42/02/786524202.db2.gz QHHKVQMBRBZBGQ-GWCFXTLKSA-N -2 0 347.392 2.220 20 0 EEADRL Cc1cc2[nH]c(=O)n(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2cc1N ZINC001176241576 798392287 /nfs/dbraw/zinc/39/22/87/798392287.db2.gz MFOHRWYZEMMLLJ-UHFFFAOYSA-N -2 0 327.296 2.018 20 0 EEADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)CCC1CCCCC1)C1CCCC1 ZINC000863963161 939245273 /nfs/dbraw/zinc/24/52/73/939245273.db2.gz MOJFNKPNYDOLAC-AWEZNQCLSA-N -2 0 345.461 2.294 20 0 EEADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cc(F)ccc1F ZINC000322833690 970933879 /nfs/dbraw/zinc/93/38/79/970933879.db2.gz ODUMRFNKALCPGP-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL O=C([O-])CCN(C(=O)c1ccc(Cl)c([O-])c1)C1CCOCC1 ZINC001595055125 951484945 /nfs/dbraw/zinc/48/49/45/951484945.db2.gz AGYOSOQULJAJHK-UHFFFAOYSA-N -2 0 327.764 2.142 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cn[nH]c2)c(Cl)cc1Cl ZINC000035764164 957222958 /nfs/dbraw/zinc/22/29/58/957222958.db2.gz ZIQPWILVOKCKME-UHFFFAOYSA-N -2 0 336.156 2.216 20 0 EEADRL O=C([O-])COc1ccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000393084985 972562105 /nfs/dbraw/zinc/56/21/05/972562105.db2.gz UGSNCGVUCCLNRN-UHFFFAOYSA-N -2 0 338.319 2.244 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](NC(=O)c2cnc3c(Cl)cccc3c2O)C1 ZINC001605833916 972569387 /nfs/dbraw/zinc/56/93/87/972569387.db2.gz SXSZOQXAABUHAD-BDAKNGLRSA-N -2 0 334.759 2.165 20 0 EEADRL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C1CC1 ZINC000844786362 979398825 /nfs/dbraw/zinc/39/88/25/979398825.db2.gz AOQYZWIPABBFAM-SECBINFHSA-N -2 0 339.747 2.150 20 0 EEADRL C[C@@H](Cc1ccc(NC(=O)N2CCC(C(=O)[O-])CC2)cc1)C(=O)[O-] ZINC001592861132 979696888 /nfs/dbraw/zinc/69/68/88/979696888.db2.gz PLQNFDOXWNTLSV-NSHDSACASA-N -2 0 334.372 2.278 20 0 EEADRL CCC[C@](C)(CC)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001595541914 981402074 /nfs/dbraw/zinc/40/20/74/981402074.db2.gz QPZQYLOTRGFZOB-AWEZNQCLSA-N -2 0 331.390 2.308 20 0 EEADRL CCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001595585776 981525771 /nfs/dbraw/zinc/52/57/71/981525771.db2.gz CEJMKSNGANMGPT-SNVBAGLBSA-N -2 0 345.392 2.084 20 0 EEADRL CCC[C@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001595621528 981700932 /nfs/dbraw/zinc/70/09/32/981700932.db2.gz KACZQWOEPKZDCT-UWVGGRQHSA-N -2 0 345.442 2.468 20 0 EEADRL CCCC[C@@H](C(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-])C(C)C ZINC001595627795 981776789 /nfs/dbraw/zinc/77/67/89/981776789.db2.gz UOJVIFAKJICTFS-SECBINFHSA-N -2 0 348.446 2.109 20 0 EEADRL CC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001594931303 982562656 /nfs/dbraw/zinc/56/26/56/982562656.db2.gz KSFWGJOGFZUQCN-MRVPVSSYSA-N -2 0 333.793 2.279 20 0 EEADRL CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1cccc(F)c1[O-] ZINC001596912584 985920047 /nfs/dbraw/zinc/92/00/47/985920047.db2.gz VKTOKNCEBBOUGA-LLVKDONJSA-N -2 0 327.352 2.121 20 0 EEADRL CC(C)(C)CCC(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001589764532 988103645 /nfs/dbraw/zinc/10/36/45/988103645.db2.gz MYGZESNVFKZFIG-UHFFFAOYSA-N -2 0 327.402 2.157 20 0 EEADRL CC(C)(C)c1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cn1 ZINC001590555864 990193904 /nfs/dbraw/zinc/19/39/04/990193904.db2.gz BHOBPUQULLLQMH-UHFFFAOYSA-N -2 0 341.414 2.335 20 0 EEADRL CC(C)[C@H](C(=O)[O-])C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC001590957373 991039728 /nfs/dbraw/zinc/03/97/28/991039728.db2.gz SXFNOMVVHNLKOV-HNNXBMFYSA-N -2 0 348.399 2.145 20 0 EEADRL CN(C1(C(=O)[O-])CCCCC1)S(=O)(=O)c1cccc(Cl)c1[O-] ZINC001598366098 991520584 /nfs/dbraw/zinc/52/05/84/991520584.db2.gz AKVOHDYLOPJKBR-UHFFFAOYSA-N -2 0 347.820 2.454 20 0 EEADRL CC(C)C[C@H](CNC(=O)N1CCC[C@](C)(C(=O)[O-])C1)CC(=O)[O-] ZINC001591448168 992550342 /nfs/dbraw/zinc/55/03/42/992550342.db2.gz BQCNUZPLACXPMP-LRDDRELGSA-N -2 0 328.409 2.020 20 0 EEADRL CN(Cc1cccc(C(=O)[O-])n1)Cc1nc(=O)c2sccc2[n-]1 ZINC001598527993 992744041 /nfs/dbraw/zinc/74/40/41/992744041.db2.gz XOMKEVDHPLNLAZ-UHFFFAOYSA-N -2 0 330.369 2.122 20 0 EEADRL C[C@@H](NC(=O)N1CCC[C@@](C)(C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593064322 993598752 /nfs/dbraw/zinc/59/87/52/993598752.db2.gz RZUDVWDWRMPKPG-UZTWBRENSA-N -2 0 340.420 2.018 20 0 EEADRL CO[C@@H]1CCC[C@@H]([C@H](NC(=O)c2cccc(Cl)c2[O-])C(=O)[O-])C1 ZINC001599110761 997563041 /nfs/dbraw/zinc/56/30/41/997563041.db2.gz RJWURJBVYYFFAS-BREBYQMCSA-N -2 0 341.791 2.434 20 0 EEADRL COc1ccc(C2CC2)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC001599536332 997750659 /nfs/dbraw/zinc/75/06/59/997750659.db2.gz AHOAUIQTWGMFJW-UHFFFAOYSA-N -2 0 348.380 2.467 20 0 EEADRL CC1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)CC(F)(F)C1 ZINC001594061935 997857788 /nfs/dbraw/zinc/85/77/88/997857788.db2.gz PZAQOZYGKGPWJE-UHFFFAOYSA-N -2 0 329.708 2.097 20 0 EEADRL COc1cc(OC)cc(-c2noc([N-]Cc3nc(C(=O)[O-])co3)n2)c1 ZINC001599450037 998075793 /nfs/dbraw/zinc/07/57/93/998075793.db2.gz ZWVVSXXNCODWEX-UHFFFAOYSA-N -2 0 346.299 2.052 20 0 EEADRL COC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001599148033 998246224 /nfs/dbraw/zinc/24/62/24/998246224.db2.gz WAYXWJVPLFOGTD-CYBMUJFWSA-N -2 0 336.171 2.309 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c(O)c1 ZINC000442852119 539957590 /nfs/dbraw/zinc/95/75/90/539957590.db2.gz XTJUJAQPNQYSLV-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL O=C([O-])c1ccn(-c2ccccc2[N-]S(=O)(=O)c2cccs2)n1 ZINC000069974783 203067629 /nfs/dbraw/zinc/06/76/29/203067629.db2.gz BBMWYOAPVSUUJN-UHFFFAOYSA-N -2 0 349.393 2.433 20 0 EEADRL CCn1cnc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000092890030 292222790 /nfs/dbraw/zinc/22/27/90/292222790.db2.gz ZITABWXTCHGOHY-UHFFFAOYSA-N -2 0 329.765 2.055 20 0 EEADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NCCCCCC(=O)[O-])n1 ZINC000237659131 160223960 /nfs/dbraw/zinc/22/39/60/160223960.db2.gz CIZSXHVLPRFHGG-UHFFFAOYSA-N -2 0 349.362 2.400 20 0 EEADRL Cc1noc2ncc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)cc12 ZINC000360231989 164263703 /nfs/dbraw/zinc/26/37/03/164263703.db2.gz WZZOYEFVXJIRDY-UHFFFAOYSA-N -2 0 347.352 2.339 20 0 EEADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000360237564 164264532 /nfs/dbraw/zinc/26/45/32/164264532.db2.gz HZMUWYICWNCLGU-UHFFFAOYSA-N -2 0 327.308 2.393 20 0 EEADRL CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c1 ZINC000322207501 311598013 /nfs/dbraw/zinc/59/80/13/311598013.db2.gz OEBSSIOAXAZICK-UHFFFAOYSA-N -2 0 335.337 2.094 20 0 EEADRL CC[C@@H](CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C)OC ZINC000421153277 314055180 /nfs/dbraw/zinc/05/51/80/314055180.db2.gz LUDHSVUPAYHVHD-LBPRGKRZSA-N -2 0 345.417 2.339 20 0 EEADRL COc1ccccc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O ZINC000436781391 314997376 /nfs/dbraw/zinc/99/73/76/314997376.db2.gz JFEMLYXPASQOPY-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])cc1 ZINC000536685282 318008487 /nfs/dbraw/zinc/00/84/87/318008487.db2.gz MULDEVUFZDVQSB-JTQLQIEISA-N -2 0 337.401 2.433 20 0 EEADRL CCc1ccc([C@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-])cc1 ZINC000548528274 318394644 /nfs/dbraw/zinc/39/46/44/318394644.db2.gz AEWDPIQLLPEHOY-KWQFWETISA-N -2 0 339.335 2.245 20 0 EEADRL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000568001042 319443641 /nfs/dbraw/zinc/44/36/41/319443641.db2.gz JVOLWIRCWPWZTO-LURJTMIESA-N -2 0 343.298 2.165 20 0 EEADRL O=C([O-])[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C1CCC1 ZINC000577401111 320253835 /nfs/dbraw/zinc/25/38/35/320253835.db2.gz ZLFYROKZVBJCDU-SNVBAGLBSA-N -2 0 339.747 2.150 20 0 EEADRL O=C([O-])CC[C@H]([N-]S(=O)(=O)CC(F)(F)F)c1ccccc1 ZINC000582298804 324425327 /nfs/dbraw/zinc/42/53/27/324425327.db2.gz DNRHPGUTZOULFW-JTQLQIEISA-N -2 0 325.308 2.074 20 0 EEADRL CCCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)cn1 ZINC000078938754 463168643 /nfs/dbraw/zinc/16/86/43/463168643.db2.gz NSTJXHWJJSPITL-UHFFFAOYSA-N -2 0 341.364 2.240 20 0 EEADRL COc1ncccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000055617871 463335274 /nfs/dbraw/zinc/33/52/74/463335274.db2.gz ZFRBWTCIDLPTKG-UHFFFAOYSA-N -2 0 348.380 2.078 20 0 EEADRL C[C@@H]1CCCC[C@@H]1OCCNS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000298848966 465523399 /nfs/dbraw/zinc/52/33/99/465523399.db2.gz LDHYFLQFMRIQNI-PWSUYJOCSA-N -2 0 347.458 2.320 20 0 EEADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccsc2)c1OC ZINC000349034940 465930707 /nfs/dbraw/zinc/93/07/07/465930707.db2.gz JHDZPYNEDHOTBG-UHFFFAOYSA-N -2 0 343.382 2.264 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)c(F)cc1F ZINC000361967204 466446259 /nfs/dbraw/zinc/44/62/59/466446259.db2.gz RUBQRCOIRYFLQZ-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cccc2c[nH]nc21 ZINC000320441575 466608421 /nfs/dbraw/zinc/60/84/21/466608421.db2.gz MFXJNGKBWMOILO-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL CCc1nc(C)c(CNS(=O)(=O)c2cc(C(=O)[O-])sc2C)o1 ZINC000320801568 466613621 /nfs/dbraw/zinc/61/36/21/466613621.db2.gz CMVVTSXTOLKSSS-UHFFFAOYSA-N -2 0 344.414 2.092 20 0 EEADRL CCOc1ncccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000323532594 466638667 /nfs/dbraw/zinc/63/86/67/466638667.db2.gz LZLGNJTZWGUNFY-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL Cc1scnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000530140521 467953265 /nfs/dbraw/zinc/95/32/65/467953265.db2.gz LJXWMXGBIPZKIW-UHFFFAOYSA-N -2 0 338.410 2.439 20 0 EEADRL CC(C)(C)CC[C@H](NC(=O)c1cccc(OCC(=O)[O-])c1)C(=O)[O-] ZINC000659763851 471734794 /nfs/dbraw/zinc/73/47/94/471734794.db2.gz JJXAEBINBZGFNT-ZDUSSCGKSA-N -2 0 337.372 2.159 20 0 EEADRL CO[C@@H](CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O)C1CCCC1 ZINC000656618896 471784839 /nfs/dbraw/zinc/78/48/39/471784839.db2.gz LNEFMSFHENIXCR-AWEZNQCLSA-N -2 0 343.401 2.037 20 0 EEADRL COCc1cccc(S(=O)(=O)[N-]c2nc(C)c(C(=O)[O-])s2)c1 ZINC000737834802 577005087 /nfs/dbraw/zinc/00/50/87/577005087.db2.gz KDPHSHHJDWKEKM-UHFFFAOYSA-N -2 0 342.398 2.097 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2O)ccc1F ZINC000765101998 577494953 /nfs/dbraw/zinc/49/49/53/577494953.db2.gz RFOLFRKZNULCNX-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnn(C(C)C)c2)c1F ZINC000749144796 577971755 /nfs/dbraw/zinc/97/17/55/577971755.db2.gz YQWOEGPBCVAZIX-UHFFFAOYSA-N -2 0 341.364 2.411 20 0 EEADRL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1ccsc1 ZINC000736213794 578187673 /nfs/dbraw/zinc/18/76/73/578187673.db2.gz BZQDJZRNKLACBU-SSDOTTSWSA-N -2 0 345.423 2.116 20 0 EEADRL Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1ccccc1C(=O)[O-] ZINC000736745133 578221392 /nfs/dbraw/zinc/22/13/92/578221392.db2.gz AOLTXPZMOWBAAA-OAHLLOKOSA-N -2 0 337.335 2.362 20 0 EEADRL CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000737732702 578268937 /nfs/dbraw/zinc/26/89/37/578268937.db2.gz DWFMAFVWFCKZEH-SECBINFHSA-N -2 0 325.342 2.486 20 0 EEADRL CC1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)cc2O1 ZINC000319765252 599737402 /nfs/dbraw/zinc/73/74/02/599737402.db2.gz DZEVTYDBPNOKFG-UHFFFAOYSA-N -2 0 339.325 2.286 20 0 EEADRL CC(C)C[C@H](CNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)C(=O)[O-] ZINC000826779870 600774700 /nfs/dbraw/zinc/77/47/00/600774700.db2.gz OEZKMISBHOADCC-SNVBAGLBSA-N -2 0 349.412 2.101 20 0 EEADRL CCc1cnc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)s1 ZINC000830298707 601200576 /nfs/dbraw/zinc/20/05/76/601200576.db2.gz BSNKUJHIXFATED-UHFFFAOYSA-N -2 0 348.427 2.275 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2ccc3oc(=O)ccc3c2)cc1C(=O)[O-] ZINC000833029162 601233321 /nfs/dbraw/zinc/23/33/21/601233321.db2.gz DGRVVPDIOBPISL-UHFFFAOYSA-N -2 0 349.320 2.193 20 0 EEADRL CC(C)[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C(=O)[O-] ZINC000826717353 601388717 /nfs/dbraw/zinc/38/87/17/601388717.db2.gz QFFGKIUJFLSQDZ-GFCCVEGCSA-N -2 0 337.763 2.070 20 0 EEADRL Cc1cccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1O ZINC000832973276 601604752 /nfs/dbraw/zinc/60/47/52/601604752.db2.gz UGYSHBQBVBJMCQ-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)o1 ZINC000829885369 602114621 /nfs/dbraw/zinc/11/46/21/602114621.db2.gz LOOTVESBKQNILD-UHFFFAOYSA-N -2 0 345.354 2.017 20 0 EEADRL O=C([O-])c1csc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000833343640 602116531 /nfs/dbraw/zinc/11/65/31/602116531.db2.gz KUYQUMIRXNJQPI-UHFFFAOYSA-N -3 0 333.368 2.007 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cc(CC(C)C)[nH]n2)ccc1C(=O)[O-] ZINC000832903478 602212509 /nfs/dbraw/zinc/21/25/09/602212509.db2.gz HTXGLFNURCDNOH-UHFFFAOYSA-N -2 0 337.401 2.416 20 0 EEADRL O=C([O-])c1sccc1S(=O)(=O)Nc1c(F)cccc1C(=O)[O-] ZINC000833329447 602296219 /nfs/dbraw/zinc/29/62/19/602296219.db2.gz MMLGWIHIHXMIBV-UHFFFAOYSA-N -2 0 345.329 2.084 20 0 EEADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C2CC2)[nH]n1 ZINC000833317918 602307352 /nfs/dbraw/zinc/30/73/52/602307352.db2.gz PQOHVDQSWIXLEJ-UHFFFAOYSA-N -2 0 341.776 2.440 20 0 EEADRL CCc1onc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000134754896 675303945 /nfs/dbraw/zinc/30/39/45/675303945.db2.gz QKRGYKVTZRQDIQ-UHFFFAOYSA-N -2 0 346.311 2.323 20 0 EEADRL CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1cc(F)cc(F)c1[O-] ZINC000882745013 1201932137 /nfs/dbraw/zinc/93/21/37/1201932137.db2.gz ZZQAQEPHXNOACG-NSHDSACASA-N -2 0 337.344 2.144 20 0 EEADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)[N-]n3ccccc3=O)n2)cc1 ZINC000777783862 1206476742 /nfs/dbraw/zinc/47/67/42/1206476742.db2.gz MCQLASTZNIQVBD-UHFFFAOYSA-N -2 0 338.367 2.247 20 0 EEADRL O=C(Cn1c(=O)c2ccccc2[n-]c1=S)[N-]OCc1ccccc1 ZINC000078400972 1210198900 /nfs/dbraw/zinc/19/89/00/1210198900.db2.gz MAHXYGNKCHDKSD-UHFFFAOYSA-N -2 0 341.392 2.307 20 0 EEADRL CC(C)n1cnc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1 ZINC001186151068 1278975350 /nfs/dbraw/zinc/97/53/50/1278975350.db2.gz RPOBJKFZTIWZML-UHFFFAOYSA-N -2 0 327.337 2.102 20 0 EEADRL COC(=O)CCS(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1[O-] ZINC001188389097 1279860579 /nfs/dbraw/zinc/86/05/79/1279860579.db2.gz RKRQBOMTVWXNKX-UHFFFAOYSA-N -2 0 328.173 2.004 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cnc(OC3CCOCC3)nc2)c1 ZINC001242163681 1309625550 /nfs/dbraw/zinc/62/55/50/1309625550.db2.gz GDZXSIIGYSZUJS-UHFFFAOYSA-N -2 0 344.323 2.098 20 0 EEADRL Cc1cc(C)c([N-]S(=O)(=O)c2ccccc2)c(S(=O)(=O)[O-])c1 ZINC001251146277 1317424346 /nfs/dbraw/zinc/42/43/46/1317424346.db2.gz LLVWLVRKIGPLEJ-UHFFFAOYSA-N -2 0 341.410 2.351 20 0 EEADRL CCCc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)c(O)c2)cc1 ZINC001255222664 1318328748 /nfs/dbraw/zinc/32/87/48/1318328748.db2.gz GTRDUFDZDUQHPJ-UHFFFAOYSA-N -2 0 334.397 2.244 20 0 EEADRL Cc1cnn(CC2CCC2)c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260184301 1319818404 /nfs/dbraw/zinc/81/84/04/1319818404.db2.gz FREVWPONPQSXBY-UHFFFAOYSA-N -2 0 349.412 2.491 20 0 EEADRL COc1ccc(O[C@H](C)CNc2ccc(P(=O)([O-])[O-])cc2)cc1 ZINC001164052908 1321281900 /nfs/dbraw/zinc/28/19/00/1321281900.db2.gz IPBJWGPQUJCIFR-GFCCVEGCSA-N -2 0 337.312 2.378 20 0 EEADRL O=C([O-])c1n[nH]c2ccc(NC(=O)NC3CCC(C(=O)[O-])CC3)cc21 ZINC001608512390 1351707269 /nfs/dbraw/zinc/70/72/69/1351707269.db2.gz HUOWFSARVGPOAC-UHFFFAOYSA-N -2 0 346.343 2.026 20 0 EEADRL O=C([O-])c1cccc2[nH]c(NC(=O)c3cc(=O)c4ccccc4[n-]3)nc21 ZINC001608524001 1351709558 /nfs/dbraw/zinc/70/95/58/1351709558.db2.gz DKUJPIMHLAKLHN-UHFFFAOYSA-N -2 0 348.318 2.355 20 0 EEADRL O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1nccc(Br)c1[O-] ZINC001608527706 1351710396 /nfs/dbraw/zinc/71/03/96/1351710396.db2.gz KGDYLBKPKFFRAY-JGVFFNPUSA-N -2 0 343.177 2.379 20 0 EEADRL Cc1c(Cl)c(C(=O)[O-])sc1S(=O)(=O)N=c1cc[nH]cc1 ZINC001600057805 1349963011 /nfs/dbraw/zinc/96/30/11/1349963011.db2.gz QWTZNXHIYYKENB-UHFFFAOYSA-N -2 0 332.790 2.026 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)C2CCC(C)(C)CC2)oc1C(=O)[O-] ZINC001600297530 1350014005 /nfs/dbraw/zinc/01/40/05/1350014005.db2.gz RFQPFCXENMSJQN-UHFFFAOYSA-N -2 0 343.401 2.308 20 0 EEADRL C[C@]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)(C(=O)[O-])C1CC1 ZINC001604354180 1350922314 /nfs/dbraw/zinc/92/23/14/1350922314.db2.gz OBARAZXLZRINLA-GFCCVEGCSA-N -2 0 339.747 2.150 20 0 EEADRL CCCC[C@H](CC)C(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001605236063 1351112110 /nfs/dbraw/zinc/11/21/10/1351112110.db2.gz BFGZLMZYBFHDHL-IRSUPMPHSA-N -2 0 325.405 2.227 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@H]1CCCC2(CC2)C1 ZINC001608040391 1351612004 /nfs/dbraw/zinc/61/20/04/1351612004.db2.gz KFVNHQDEUADDOU-JTQLQIEISA-N -2 0 341.385 2.062 20 0 EEADRL O=C([O-])CC[C@H]1CCCN(C(=O)NCc2ccccc2C(=O)[O-])C1 ZINC001608707422 1351745852 /nfs/dbraw/zinc/74/58/52/1351745852.db2.gz FLNPZXFXZDWDMV-GFCCVEGCSA-N -2 0 334.372 2.171 20 0 EEADRL O=C([O-])CS(=O)(=O)[N-]C(=O)C1(C2CCCCC2)CCCCC1 ZINC001608766371 1351758429 /nfs/dbraw/zinc/75/84/29/1351758429.db2.gz JDPHIZRKXJLBNZ-UHFFFAOYSA-N -2 0 331.434 2.048 20 0 EEADRL O=C([O-])C[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001608774554 1351760300 /nfs/dbraw/zinc/76/03/00/1351760300.db2.gz FCDBPEXAFFSJOA-MDZLAQPJSA-N -2 0 339.775 2.473 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)nn1 ZINC001608905135 1351790904 /nfs/dbraw/zinc/79/09/04/1351790904.db2.gz BKTRCWKSOMZWIM-BQYQJAHWSA-N -2 0 339.760 2.241 20 0 EEADRL O=C([O-])c1ccc2[nH]c(CNC(=O)c3c([O-])cc(F)cc3F)nc2c1 ZINC001608916057 1351793383 /nfs/dbraw/zinc/79/33/83/1351793383.db2.gz FIKVTTDVCSBBPX-UHFFFAOYSA-N -2 0 347.277 2.175 20 0 EEADRL O=C([O-])c1coc(-c2nc(CC[N-]C(=O)C(F)(F)F)cs2)c1 ZINC001608985554 1351808370 /nfs/dbraw/zinc/80/83/70/1351808370.db2.gz HTGQAUJTOFKERJ-UHFFFAOYSA-N -2 0 334.275 2.322 20 0 EEADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc2sccc2c1 ZINC001609638684 1352047788 /nfs/dbraw/zinc/04/77/88/1352047788.db2.gz JOISHVSGRJMGQM-IUCAKERBSA-N -2 0 341.410 2.070 20 0 EEADRL CC[C@](C)(NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C(=O)[O-] ZINC001609896640 1352113774 /nfs/dbraw/zinc/11/37/74/1352113774.db2.gz WHIDRDGXFRBXMG-HNNXBMFYSA-N -2 0 337.763 2.214 20 0 EEADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1noc2ccccc21 ZINC001610290471 1352200679 /nfs/dbraw/zinc/20/06/79/1352200679.db2.gz BPNOCCVXIMJKGR-UHFFFAOYSA-N -2 0 348.336 2.335 20 0 EEADRL COc1cccc(C)c1[N-]S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001610354563 1352209819 /nfs/dbraw/zinc/20/98/19/1352209819.db2.gz LHRPQUARBRLXPX-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2ccnn2C2CCC2)cccc1C(=O)[O-] ZINC001600055175 1349962674 /nfs/dbraw/zinc/96/26/74/1349962674.db2.gz ZAQAMEROAXOVDZ-UHFFFAOYSA-N -2 0 335.385 2.416 20 0 EEADRL Cc1cc(NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)cc(C(=O)[O-])c1 ZINC001600256981 1350003734 /nfs/dbraw/zinc/00/37/34/1350003734.db2.gz BJMOJFDJMJYRIZ-UHFFFAOYSA-N -2 0 331.372 2.020 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCCCC2(C)C)oc1C(=O)[O-] ZINC001600296905 1350013339 /nfs/dbraw/zinc/01/33/39/1350013339.db2.gz ICBKBEHFZDERDS-SNVBAGLBSA-N -2 0 343.401 2.308 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2nccc(C3CC3)n2)cc1C(=O)[O-] ZINC001600483747 1350062707 /nfs/dbraw/zinc/06/27/07/1350062707.db2.gz NVZBDWRUMNMAGV-UHFFFAOYSA-N -2 0 333.369 2.161 20 0 EEADRL Cc1cccc(NC(=O)N2C[C@@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)c1C ZINC001600539777 1350077299 /nfs/dbraw/zinc/07/72/99/1350077299.db2.gz GIWVTWMZBIQLEG-XYEKJYRLSA-N -2 0 346.383 2.333 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ccc2c(n1)CCC2 ZINC001600654955 1350108895 /nfs/dbraw/zinc/10/88/95/1350108895.db2.gz OYPBVYNMHSXMOS-UHFFFAOYSA-N -2 0 338.410 2.439 20 0 EEADRL Cc1csc([N-]S(=O)(=O)c2cn(C(C)C)cn2)c1C(=O)[O-] ZINC001600661995 1350111723 /nfs/dbraw/zinc/11/17/23/1350111723.db2.gz DJNHRMPUVIIDSN-UHFFFAOYSA-N -2 0 329.403 2.333 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2cnc3c(c2)CCCC3)cc1C(=O)[O-] ZINC001600747122 1350127215 /nfs/dbraw/zinc/12/72/15/1350127215.db2.gz IIUAWXQWUMNMAU-UHFFFAOYSA-N -2 0 347.396 2.163 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2cccnc2OC(C)C)cc1C(=O)[O-] ZINC001600856602 1350153509 /nfs/dbraw/zinc/15/35/09/1350153509.db2.gz HAXKMGSPULQDNA-UHFFFAOYSA-N -2 0 340.357 2.269 20 0 EEADRL Cn1cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(C)(C)C)nc1 ZINC001600941684 1350173432 /nfs/dbraw/zinc/17/34/32/1350173432.db2.gz RJCWFOFBOHELNL-UHFFFAOYSA-N -2 0 337.401 2.217 20 0 EEADRL O=C([O-])[C@@H]1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)[C@H]2CCCC[C@@H]12 ZINC001601827849 1350375051 /nfs/dbraw/zinc/37/50/51/1350375051.db2.gz QYGPLPAFKHVZOE-UMNHJUIQSA-N -2 0 345.355 2.034 20 0 EEADRL O=C([O-])CCCCCCNS(=O)(=O)c1cccc(Cl)c1[O-] ZINC001601985041 1350411312 /nfs/dbraw/zinc/41/13/12/1350411312.db2.gz JWHKPKYLGBVVEH-UHFFFAOYSA-N -2 0 335.809 2.359 20 0 EEADRL O=C([O-])CCCO[N-]C(=O)[C@H]1CCc2cc(Br)ccc21 ZINC001601996023 1350413605 /nfs/dbraw/zinc/41/36/05/1350413605.db2.gz YSIPVFADCMGWQQ-LBPRGKRZSA-N -2 0 342.189 2.392 20 0 EEADRL O=C([O-])c1cccc2c1CCN2C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC001602458310 1350523875 /nfs/dbraw/zinc/52/38/75/1350523875.db2.gz RNYXBTHZCBQLBX-UHFFFAOYSA-N -2 0 349.346 2.479 20 0 EEADRL O=C([O-])c1ccccc1CC(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC001602465576 1350525444 /nfs/dbraw/zinc/52/54/44/1350525444.db2.gz YTPDOSIPNLTSFN-SOUVJXGZSA-N -2 0 331.368 2.029 20 0 EEADRL O=C([O-])c1ccccc1OS(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001602473777 1350527365 /nfs/dbraw/zinc/52/73/65/1350527365.db2.gz FWELIZQNAKPPCV-UHFFFAOYSA-N -2 0 342.369 2.129 20 0 EEADRL O=C([O-])c1cnc(N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)c(Cl)c1 ZINC001602524653 1350538486 /nfs/dbraw/zinc/53/84/86/1350538486.db2.gz FEWNXEJOWJWMBO-LLVKDONJSA-N -2 0 338.669 2.277 20 0 EEADRL O=C([O-])c1cnc(CNC(=O)c2cc(F)cc(Cl)c2[O-])s1 ZINC001602523374 1350538498 /nfs/dbraw/zinc/53/84/98/1350538498.db2.gz ZJOOQYYUIWAFIL-UHFFFAOYSA-N -2 0 330.724 2.269 20 0 EEADRL O=C([O-])c1cnc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cn1 ZINC001602536270 1350541384 /nfs/dbraw/zinc/54/13/84/1350541384.db2.gz UOIPTRGCTNNVPA-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL O=C([O-])c1cncc([N-]S(=O)(=O)c2cnc3ccsc3c2)c1 ZINC001602541144 1350542362 /nfs/dbraw/zinc/54/23/62/1350542362.db2.gz BOHGDLWEZPEHQQ-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL O=C([O-])c1nsc([N-]C(=O)c2cc(-c3cccc(F)c3)no2)n1 ZINC001602587152 1350552194 /nfs/dbraw/zinc/55/21/94/1350552194.db2.gz VGNXOQVJLGEPEQ-UHFFFAOYSA-N -2 0 334.288 2.283 20 0 EEADRL CC(C)C[C@@H](NC(=O)c1ccccc1S[C@H](C)C(=O)[O-])C(=O)[O-] ZINC001603832660 1350778680 /nfs/dbraw/zinc/77/86/80/1350778680.db2.gz BRHJRTNQEIKWDP-ZYHUDNBSSA-N -2 0 339.413 2.481 20 0 EEADRL CC[C@H]1CCCC[C@@H]1OCC(=O)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001604098780 1350855862 /nfs/dbraw/zinc/85/58/62/1350855862.db2.gz DWENDNMNEWDSDY-WFASDCNBSA-N -2 0 345.403 2.262 20 0 EEADRL C[C@H](CC(=O)[O-])CC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001604108947 1350860712 /nfs/dbraw/zinc/86/07/12/1350860712.db2.gz PYKSCVSCGJILAH-JTQLQIEISA-N -2 0 325.386 2.444 20 0 EEADRL Cc1[n-]n(-c2cc(F)ccc2Br)c(=O)c1CC(=O)[O-] ZINC001604616446 1350970718 /nfs/dbraw/zinc/97/07/18/1350970718.db2.gz VGEHDEAJBYSKTD-MRVPVSSYSA-N -2 0 329.125 2.402 20 0 EEADRL CC[C@@H](C)[C@H]([N-]S(=O)(=O)CC1(C(=O)[O-])CCC1)C(F)(F)F ZINC001604946884 1351036657 /nfs/dbraw/zinc/03/66/57/1351036657.db2.gz PDWHEERVFYOHHN-BDAKNGLRSA-N -2 0 331.356 2.138 20 0 EEADRL CC[C@@H](C)c1cccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC001604977698 1351043704 /nfs/dbraw/zinc/04/37/04/1351043704.db2.gz UFOVJONLFCHABC-LLVKDONJSA-N -2 0 337.401 2.282 20 0 EEADRL CCC(CC)[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001605013844 1351054947 /nfs/dbraw/zinc/05/49/47/1351054947.db2.gz DFFARXORGORKQV-LLVKDONJSA-N -2 0 341.429 2.403 20 0 EEADRL CCCO[N-]C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC001605337375 1351140158 /nfs/dbraw/zinc/14/01/58/1351140158.db2.gz UOXNNOJLXUDTED-UHFFFAOYSA-N -2 0 328.390 2.140 20 0 EEADRL CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)S[C@@H](C)C(=O)[O-] ZINC001605790780 1351223777 /nfs/dbraw/zinc/22/37/77/1351223777.db2.gz YKOZLIJDHSSXNJ-IUCAKERBSA-N -2 0 325.386 2.481 20 0 EEADRL COCc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccnc2C)c1 ZINC001606941235 1351381198 /nfs/dbraw/zinc/38/11/98/1351381198.db2.gz YMXSAESVJWPECO-UHFFFAOYSA-N -2 0 336.369 2.035 20 0 EEADRL COc1cc(S(=O)(=O)[N-]c2ccc(Cl)cn2)ccc1C(=O)[O-] ZINC001607190123 1351446025 /nfs/dbraw/zinc/44/60/25/1351446025.db2.gz OBIDYEBVCCLKRH-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL COc1cccc(C)c1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001607315641 1351472055 /nfs/dbraw/zinc/47/20/55/1351472055.db2.gz MKIOYZKGGZMCBC-UHFFFAOYSA-N -2 0 325.342 2.404 20 0 EEADRL Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC001607765574 1351554583 /nfs/dbraw/zinc/55/45/83/1351554583.db2.gz SZGOKPATVZDANX-UHFFFAOYSA-N -2 0 333.365 2.120 20 0 EEADRL Cc1ccc(NC(=O)N2C[C@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)c(C)c1 ZINC001607801677 1351561608 /nfs/dbraw/zinc/56/16/08/1351561608.db2.gz DCBLEZQXGWBFQQ-YNAXMUEKSA-N -2 0 346.383 2.333 20 0 EEADRL Cc1cccc(C(=O)[O-])c1NS(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC001607840229 1351569545 /nfs/dbraw/zinc/56/95/45/1351569545.db2.gz ZTOJPAKUFZTAER-UHFFFAOYSA-N -2 0 349.364 2.333 20 0 EEADRL Cc1n[nH]cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001607939105 1351589689 /nfs/dbraw/zinc/58/96/89/1351589689.db2.gz HZBJTMGXUUSJTB-UHFFFAOYSA-N -2 0 349.290 2.236 20 0 EEADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1c(F)cccc1Sc1ccccc1 ZINC001637944003 1352682576 /nfs/dbraw/zinc/68/25/76/1352682576.db2.gz TVEQYENLZACYCQ-UHFFFAOYSA-N -2 0 346.343 2.364 20 0 EEADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2c[nH]c(C(F)(F)F)c2)cc1 ZINC001771709694 1409923691 /nfs/dbraw/zinc/92/36/91/1409923691.db2.gz MPYGJLPIJYIKIA-UHFFFAOYSA-N -2 0 348.302 2.461 20 0 EEADRL O=C([O-])c1ccccc1NC1([P@](=O)([O-])O)Cc2ccccc2C1 ZINC001167933731 780984199 /nfs/dbraw/zinc/98/41/99/780984199.db2.gz BTJPKLAJBHOQFC-UHFFFAOYSA-N -2 0 333.280 2.470 20 0 EEADRL O=[P@@]([O-])(O)C1(Nc2ccc3c(n2)COC3)Cc2ccccc2C1 ZINC001167934915 780991766 /nfs/dbraw/zinc/99/17/66/780991766.db2.gz WYFWBNGVAPPQEW-UHFFFAOYSA-N -2 0 332.296 2.197 20 0 EEADRL Cc1cccc(CO[N-]C(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)n1 ZINC000907848991 784904730 /nfs/dbraw/zinc/90/47/30/784904730.db2.gz AFVUGKBKZFOZTP-QAPCUYQASA-N -2 0 326.352 2.196 20 0 EEADRL Cc1ccc(Cl)cc1C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910183841 786515677 /nfs/dbraw/zinc/51/56/77/786515677.db2.gz NUOIUBXPPCENJZ-BXKDBHETSA-N -2 0 325.748 2.038 20 0 EEADRL CSc1ccc(C)c(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1 ZINC000910187180 786519292 /nfs/dbraw/zinc/51/92/92/786519292.db2.gz BLACMGYNRFYAOF-GWCFXTLKSA-N -2 0 337.397 2.107 20 0 EEADRL Cc1ccccc1[C@H](C)CC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910190311 786522666 /nfs/dbraw/zinc/52/26/66/786522666.db2.gz WETQMUSPJPPENR-IPYPFGDCSA-N -2 0 333.384 2.265 20 0 EEADRL CCCn1cc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cn1 ZINC000156345382 789071286 /nfs/dbraw/zinc/07/12/86/789071286.db2.gz GWKIFLZCYDWAMR-UHFFFAOYSA-N -2 0 341.364 2.240 20 0 EEADRL O=C([O-])c1cc(Nc2cc3n(n2)CC2(CC2)CO3)cc(C(=O)[O-])c1 ZINC001176238202 798390829 /nfs/dbraw/zinc/39/08/29/798390829.db2.gz PAYZUIDBRQSXJT-UHFFFAOYSA-N -2 0 329.312 2.196 20 0 EEADRL CCc1cccnc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC001185269929 802429770 /nfs/dbraw/zinc/42/97/70/802429770.db2.gz UHNRLTCEJIPJBO-UHFFFAOYSA-N -2 0 336.369 2.152 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccnc2N2CCCC2)cc1 ZINC000324819872 971160751 /nfs/dbraw/zinc/16/07/51/971160751.db2.gz GKUOKOYFWCMIIV-UHFFFAOYSA-N -2 0 347.396 2.181 20 0 EEADRL C[C@]1(C(=O)[O-])CCN(C(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])C1 ZINC001589196557 956614831 /nfs/dbraw/zinc/61/48/31/956614831.db2.gz WDCKXFGBJOMDRH-INIZCTEOSA-N -2 0 349.774 2.168 20 0 EEADRL O=C([O-])C1(NC(=O)c2ncc(Br)cc2[O-])CCCCC1 ZINC001594721534 956973173 /nfs/dbraw/zinc/97/31/73/956973173.db2.gz HKGNFIJZNXPXHQ-UHFFFAOYSA-N -2 0 343.177 2.067 20 0 EEADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccn(C(C)(C)C(=O)[O-])n2)s1 ZINC001594296620 957873652 /nfs/dbraw/zinc/87/36/52/957873652.db2.gz MQTXNOBDOYUKIO-UHFFFAOYSA-N -2 0 343.430 2.182 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1 ZINC000318312260 970425239 /nfs/dbraw/zinc/42/52/39/970425239.db2.gz OPBKPGJQNONEPB-UHFFFAOYSA-N -2 0 342.354 2.464 20 0 EEADRL O=C([O-])c1cncc([N-]S(=O)(=O)c2cccc3cnccc32)c1 ZINC000320430609 970663448 /nfs/dbraw/zinc/66/34/48/970663448.db2.gz JGKQYHCDJVYYOV-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL O=C([O-])C=Cc1cc(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)co1 ZINC001606064802 973204325 /nfs/dbraw/zinc/20/43/25/973204325.db2.gz QJQUPRLYATXIEV-SNAWJCMRSA-N -2 0 340.295 2.120 20 0 EEADRL C[C@H]1CN(C(=O)c2ccc(Br)c(O)c2)C[C@]1(C)C(=O)[O-] ZINC000710164413 977488679 /nfs/dbraw/zinc/48/86/79/977488679.db2.gz NQZZZOTVSBUCKJ-RTHLEPHNSA-N -2 0 342.189 2.338 20 0 EEADRL C[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1)CC(F)F ZINC001592716443 979217683 /nfs/dbraw/zinc/21/76/83/979217683.db2.gz WFYKJQDCMKRWPI-YFKPBYRVSA-N -2 0 331.724 2.201 20 0 EEADRL C[C@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593002095 980213963 /nfs/dbraw/zinc/21/39/63/980213963.db2.gz BBBCFZNERQUTEO-FPYNETTCSA-N -2 0 325.405 2.129 20 0 EEADRL CCCC[C@](C)(F)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001595630594 981822945 /nfs/dbraw/zinc/82/29/45/981822945.db2.gz LCNGGQNDYHAOSW-AWEZNQCLSA-N -2 0 331.365 2.108 20 0 EEADRL CC[C@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001594882848 982251148 /nfs/dbraw/zinc/25/11/48/982251148.db2.gz ZTVYLNCPEHAKHY-JGVFFNPUSA-N -2 0 349.355 2.150 20 0 EEADRL CCOC(=O)CCc1c(C)[n-]n(-c2ccc(C(=O)[O-])cc2OC)c1=O ZINC001596600922 984556370 /nfs/dbraw/zinc/55/63/70/984556370.db2.gz DWCJVOPPGMANGO-LBPRGKRZSA-N -2 0 348.355 2.075 20 0 EEADRL CCO[C@H]1C[C@@](NC(=O)c2ccc(Cl)c([O-])c2)(C(=O)[O-])C1(C)C ZINC001596829270 985454206 /nfs/dbraw/zinc/45/42/06/985454206.db2.gz YDUPOXRYFDLBFL-BLLLJJGKSA-N -2 0 341.791 2.434 20 0 EEADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC001589452890 986855114 /nfs/dbraw/zinc/85/51/14/986855114.db2.gz NGWAKPYEWIDXSC-ODXJTPSBSA-N -2 0 345.461 2.148 20 0 EEADRL CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(F)(F)F ZINC001597351145 987493580 /nfs/dbraw/zinc/49/35/80/987493580.db2.gz ONWDHAPOOORAPD-ZETCQYMHSA-N -2 0 347.261 2.282 20 0 EEADRL CCc1ccc(NC(=O)N2C[C@@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)cc1 ZINC001597548751 988266172 /nfs/dbraw/zinc/26/61/72/988266172.db2.gz ZRJWLUMOQNVDRS-FHBSJOOWSA-N -2 0 346.383 2.278 20 0 EEADRL CSc1cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])ccn1 ZINC001599809325 988306485 /nfs/dbraw/zinc/30/64/85/988306485.db2.gz CBMFCLCQZZKNSA-UHFFFAOYSA-N -2 0 342.373 2.442 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(O)cc(OC)c1 ZINC001597785501 989303930 /nfs/dbraw/zinc/30/39/30/989303930.db2.gz IGJNWLZZMBBOOI-UHFFFAOYSA-N -2 0 341.341 2.055 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2n[nH]cc21 ZINC001597791741 989325643 /nfs/dbraw/zinc/32/56/43/989325643.db2.gz RQPWVXQCDSLTQB-UHFFFAOYSA-N -2 0 335.341 2.217 20 0 EEADRL CC(C)(CS(=O)(=O)[N-][C@H](C(F)F)C1CCCCC1)C(=O)[O-] ZINC001590798694 990623122 /nfs/dbraw/zinc/62/31/22/990623122.db2.gz AJPMEMDYZPDCLJ-JTQLQIEISA-N -2 0 327.393 2.231 20 0 EEADRL CC(C)C[C@@H](CNC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)C(=O)[O-] ZINC001591149214 991888325 /nfs/dbraw/zinc/88/83/25/991888325.db2.gz KCHRDMYEAFKIHI-ZFWWWQNUSA-N -2 0 348.399 2.127 20 0 EEADRL CC(C)CCCCC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001591236288 992115579 /nfs/dbraw/zinc/11/55/79/992115579.db2.gz ABMVPCIJJDDNRQ-UHFFFAOYSA-N -2 0 327.402 2.406 20 0 EEADRL CN(Cc1n[n-]c(=O)o1)[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001598536326 992843265 /nfs/dbraw/zinc/84/32/65/992843265.db2.gz DJSBLJDOEZXJPG-SNVBAGLBSA-N -2 0 331.250 2.052 20 0 EEADRL COCC[C@@H](NC(=O)c1cc(Cl)c2ccccc2c1[O-])C(=O)[O-] ZINC001599216038 997584174 /nfs/dbraw/zinc/58/41/74/997584174.db2.gz GGTBRFJOHSRZOD-CYBMUJFWSA-N -2 0 337.759 2.418 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c(O)c1 ZINC000442845856 539957607 /nfs/dbraw/zinc/95/76/07/539957607.db2.gz YBBUGOGKCOWOIL-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL O=C([O-])CC[C@H]1CCCN(C(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC000263147310 304063754 /nfs/dbraw/zinc/06/37/54/304063754.db2.gz NGYFJAVJJGBRHJ-CYBMUJFWSA-N -2 0 343.383 2.295 20 0 EEADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c1 ZINC000058377218 202761821 /nfs/dbraw/zinc/76/18/21/202761821.db2.gz JHHOKWVXDJWEAG-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL CCn1nc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c1C ZINC000076022386 203331854 /nfs/dbraw/zinc/33/18/54/203331854.db2.gz UDNXAQPZKACZET-UHFFFAOYSA-N -2 0 337.401 2.327 20 0 EEADRL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1C ZINC000342776549 161089958 /nfs/dbraw/zinc/08/99/58/161089958.db2.gz HKRAUPTWMHNANY-SECBINFHSA-N -2 0 340.405 2.000 20 0 EEADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)oc1C ZINC000345127847 161274193 /nfs/dbraw/zinc/27/41/93/161274193.db2.gz UPJQFWCCBHCXDT-UHFFFAOYSA-N -2 0 325.342 2.404 20 0 EEADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccc(F)cc2O)c1 ZINC000360602345 164349469 /nfs/dbraw/zinc/34/94/69/164349469.db2.gz ZZEURHAXJCZKSF-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL C[C@@H]1CCN(C(=O)N=c2nc(-c3ccccc3)[n-]s2)C[C@@H]1C(=O)[O-] ZINC000567385756 319375816 /nfs/dbraw/zinc/37/58/16/319375816.db2.gz OUFJAGRHGKLKPH-PWSUYJOCSA-N -2 0 346.412 2.202 20 0 EEADRL C[C@H](CCC[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(=O)[O-] ZINC000567393896 319376707 /nfs/dbraw/zinc/37/67/07/319376707.db2.gz VQDZKEWMEVMYRL-ZCFIWIBFSA-N -2 0 343.298 2.022 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cn1 ZINC000351391110 465138593 /nfs/dbraw/zinc/13/85/93/465138593.db2.gz WLFPLGFCZDGWBV-UHFFFAOYSA-N -2 0 340.332 2.118 20 0 EEADRL CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000057125678 463455007 /nfs/dbraw/zinc/45/50/07/463455007.db2.gz AXHKRXCHPYDKLX-UHFFFAOYSA-N -2 0 346.364 2.456 20 0 EEADRL Cc1c(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)cccc1C(=O)[O-] ZINC000357101933 465774270 /nfs/dbraw/zinc/77/42/70/465774270.db2.gz FSWYTBJPJULNIE-UHFFFAOYSA-N -2 0 349.364 2.121 20 0 EEADRL COc1ccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cc1 ZINC000353487198 465922216 /nfs/dbraw/zinc/92/22/16/465922216.db2.gz CXROUMXRZJTEJV-UHFFFAOYSA-N -2 0 326.312 2.005 20 0 EEADRL COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000315709374 466563545 /nfs/dbraw/zinc/56/35/45/466563545.db2.gz LRTXGTOUOSFFHJ-UHFFFAOYSA-N -2 0 325.342 2.404 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2sccc2C(C)=O)cc1C(=O)[O-] ZINC000427350198 467152259 /nfs/dbraw/zinc/15/22/59/467152259.db2.gz QCLUTRNFKJGOMO-UHFFFAOYSA-N -2 0 342.398 2.271 20 0 EEADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cccc3c[nH]nc32)c1 ZINC000436783000 467554237 /nfs/dbraw/zinc/55/42/37/467554237.db2.gz FCWAVVRDWSEPDM-UHFFFAOYSA-N -2 0 347.352 2.076 20 0 EEADRL CCC(C)(C)CS(=O)(=O)Nc1ccc(C(=O)[O-])c(C(=O)[O-])c1 ZINC000530138499 467953369 /nfs/dbraw/zinc/95/33/69/467953369.db2.gz YVVRSUUNPMJUKF-UHFFFAOYSA-N -2 0 329.374 2.261 20 0 EEADRL C[C@H]([C@H](NS(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-])C1CC1 ZINC000548995502 468164651 /nfs/dbraw/zinc/16/46/51/468164651.db2.gz RPPZVSWENINSQR-MADCSZMMSA-N -2 0 335.784 2.257 20 0 EEADRL O=C([O-])c1ccc([C@@H]([N-]S(=O)(=O)CCCF)C(F)(F)F)cc1 ZINC000584408672 468865122 /nfs/dbraw/zinc/86/51/22/468865122.db2.gz IENNIGPSEQSYIF-SNVBAGLBSA-N -2 0 343.298 2.267 20 0 EEADRL COCC1(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)CC1 ZINC000563226825 469206868 /nfs/dbraw/zinc/20/68/68/469206868.db2.gz PZWZCZWQYPRBEP-UHFFFAOYSA-N -2 0 343.401 2.093 20 0 EEADRL COc1ncccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000749140301 577971752 /nfs/dbraw/zinc/97/17/52/577971752.db2.gz AVABGHQNXZORIS-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL Cc1noc2ncc(S(=O)(=O)[N-]c3cccc(NC(=O)[O-])c3)cc12 ZINC000738955433 578032462 /nfs/dbraw/zinc/03/24/62/578032462.db2.gz PUNJWABQZJXQJG-UHFFFAOYSA-N -2 0 348.340 2.422 20 0 EEADRL CC[C@H](CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1ccc(C)cc1 ZINC000736892993 578228404 /nfs/dbraw/zinc/22/84/04/578228404.db2.gz RJTQPOOANGHEQN-CYBMUJFWSA-N -2 0 341.429 2.190 20 0 EEADRL CCC(CC)CS(=O)(=O)[N-]C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736894124 578228513 /nfs/dbraw/zinc/22/85/13/578228513.db2.gz GDWITDCQOWQDRT-UHFFFAOYSA-N -2 0 328.390 2.272 20 0 EEADRL Cc1ccc(CO)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000738602232 578247630 /nfs/dbraw/zinc/24/76/30/578247630.db2.gz LBNBYIPVHOZUOV-UHFFFAOYSA-N -2 0 327.383 2.048 20 0 EEADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])c1 ZINC000738017368 578276683 /nfs/dbraw/zinc/27/66/83/578276683.db2.gz XTXPCDCGCMCCOW-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCC[C@@H]3C(=O)[O-])n2)c1 ZINC000820057504 598208312 /nfs/dbraw/zinc/20/83/12/598208312.db2.gz JEERCGPWFMVYFT-CQSZACIVSA-N -2 0 343.383 2.391 20 0 EEADRL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1F ZINC000317114546 599738128 /nfs/dbraw/zinc/73/81/28/599738128.db2.gz ZDNBAGNCESXXIZ-UHFFFAOYSA-N -2 0 329.305 2.316 20 0 EEADRL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC000067660031 599851590 /nfs/dbraw/zinc/85/15/90/599851590.db2.gz DQOZEMPSHSPSLC-UHFFFAOYSA-N -2 0 347.755 2.020 20 0 EEADRL Cc1c(NS(=O)(=O)c2ccsc2C(=O)[O-])cccc1C(=O)[O-] ZINC000386188010 599868056 /nfs/dbraw/zinc/86/80/56/599868056.db2.gz VOMRGENQHBNZNK-UHFFFAOYSA-N -2 0 341.366 2.254 20 0 EEADRL C[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000828232324 600943570 /nfs/dbraw/zinc/94/35/70/600943570.db2.gz FXTFRDGFHBDTSC-GHMZBOCLSA-N -2 0 325.386 2.016 20 0 EEADRL Cc1ccc2nc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)sc2c1 ZINC000314339504 600974026 /nfs/dbraw/zinc/97/40/26/600974026.db2.gz KCHVYHMBSSMNCA-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2N2CCCC2)c[nH]1 ZINC000319961880 600980787 /nfs/dbraw/zinc/98/07/87/600980787.db2.gz DBYHGGZNKIWMFT-UHFFFAOYSA-N -2 0 335.385 2.114 20 0 EEADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(F)cn2)c1 ZINC000833297455 600981841 /nfs/dbraw/zinc/98/18/41/600981841.db2.gz OIXRZTINJVAURN-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NC(C)(C)CC(=O)[O-])n1 ZINC000832889062 601290034 /nfs/dbraw/zinc/29/00/34/601290034.db2.gz CEEUVDUOEXFVHU-UHFFFAOYSA-N -2 0 335.335 2.009 20 0 EEADRL COc1ncc(C)cc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000832654415 601333995 /nfs/dbraw/zinc/33/39/95/601333995.db2.gz NULKJSDJRSANON-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)s1 ZINC000314417374 601357195 /nfs/dbraw/zinc/35/71/95/601357195.db2.gz DXDACOIAVVLNLS-UHFFFAOYSA-N -2 0 341.366 2.018 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2O)c1C(=O)[O-] ZINC000832972595 602201936 /nfs/dbraw/zinc/20/19/36/602201936.db2.gz HDSGQLDPTXVTDE-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL CCCc1cc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])n[nH]1 ZINC000317303159 602305425 /nfs/dbraw/zinc/30/54/25/602305425.db2.gz AOCBLIFPOQHKNE-UHFFFAOYSA-N -2 0 327.362 2.071 20 0 EEADRL Cc1noc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])c1C ZINC000833022229 604773786 /nfs/dbraw/zinc/77/37/86/604773786.db2.gz AMNADJZHZQHNKM-UHFFFAOYSA-N -2 0 330.749 2.444 20 0 EEADRL CC1(C)CC[C@H](C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000833557692 605083617 /nfs/dbraw/zinc/08/36/17/605083617.db2.gz WOSWHYSKIIWDPW-QMMMGPOBSA-N -2 0 331.415 2.078 20 0 EEADRL CCCCn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1C ZINC000833651760 605188329 /nfs/dbraw/zinc/18/83/29/605188329.db2.gz YWATWMKUUCYSCI-UHFFFAOYSA-N -2 0 327.362 2.084 20 0 EEADRL COc1cc(O)cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c1 ZINC000833729017 605599424 /nfs/dbraw/zinc/59/94/24/605599424.db2.gz ONZNQUADSNJHLQ-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])c(F)c2)s1 ZINC000317295528 676027701 /nfs/dbraw/zinc/02/77/01/676027701.db2.gz RBIJKDUMLOFFOV-UHFFFAOYSA-N -2 0 344.320 2.397 20 0 EEADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CC3CCC2CC3)cc1 ZINC000863963849 1197939204 /nfs/dbraw/zinc/93/92/04/1197939204.db2.gz IQCPPZMFEQAOGD-MGULZYLOSA-N -2 0 337.397 2.023 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ncc(Cl)cc1O ZINC001185876084 1278821565 /nfs/dbraw/zinc/82/15/65/1278821565.db2.gz KYKNMFHYBKZRMX-UHFFFAOYSA-N -2 0 342.760 2.248 20 0 EEADRL Cc1cn2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3C)c2n1 ZINC001185876089 1278821730 /nfs/dbraw/zinc/82/17/30/1278821730.db2.gz LKLXWVIEQCIDLH-UHFFFAOYSA-N -2 0 345.380 2.450 20 0 EEADRL CC(=O)c1ncccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185877575 1278844852 /nfs/dbraw/zinc/84/48/52/1278844852.db2.gz NZTVTCFVKFSRIS-UHFFFAOYSA-N -2 0 334.353 2.092 20 0 EEADRL CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)on1 ZINC001187553460 1279580340 /nfs/dbraw/zinc/58/03/40/1279580340.db2.gz RMBUWLBOQORIIZ-UHFFFAOYSA-N -2 0 330.749 2.389 20 0 EEADRL COc1cccc(OC)c1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198773380 1285353239 /nfs/dbraw/zinc/35/32/39/1285353239.db2.gz YDOUDUXPFNWQKL-UHFFFAOYSA-N -2 0 337.353 2.203 20 0 EEADRL Cc1c(F)ccc([N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)c1C(=O)[O-] ZINC000842587612 1315727156 /nfs/dbraw/zinc/72/71/56/1315727156.db2.gz DNKDSGIBXZOXIC-UHFFFAOYSA-N -2 0 341.364 2.480 20 0 EEADRL Cc1cncnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259214131 1319488759 /nfs/dbraw/zinc/48/87/59/1319488759.db2.gz CZQJOWLBGHOANL-UHFFFAOYSA-N -2 0 345.739 2.077 20 0 EEADRL O=S(=O)([O-])c1ccc2ccc([N-]S(=O)(=O)C(F)F)cc2c1 ZINC001259958050 1319754792 /nfs/dbraw/zinc/75/47/92/1319754792.db2.gz QQKHJEXFPKXETL-UHFFFAOYSA-N -2 0 337.325 2.051 20 0 EEADRL CC(=O)c1ccsc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260393514 1319882946 /nfs/dbraw/zinc/88/29/46/1319882946.db2.gz MHJGIOJVFBPYDS-UHFFFAOYSA-N -2 0 341.366 2.155 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCC3(CC3)C2)s1 ZINC001602396305 1350510226 /nfs/dbraw/zinc/51/02/26/1350510226.db2.gz RRAWNKCFLZYMCS-SECBINFHSA-N -2 0 343.426 2.222 20 0 EEADRL O=C([O-])c1ncsc1S(=O)(=O)N[C@@H](C1CCC1)C1CCCC1 ZINC001602584082 1350551113 /nfs/dbraw/zinc/55/11/13/1350551113.db2.gz ZBMKMHZBNSGLTG-LLVKDONJSA-N -2 0 344.458 2.479 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)C1(C)CCCCCC1 ZINC001608038875 1351611545 /nfs/dbraw/zinc/61/15/45/1351611545.db2.gz WFGODPJWQWLWTP-UHFFFAOYSA-N -2 0 343.401 2.452 20 0 EEADRL O=C([O-])CC1(NC(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CCC1 ZINC001608684974 1351741321 /nfs/dbraw/zinc/74/13/21/1351741321.db2.gz YHJQQWUYGGJCRY-UHFFFAOYSA-N -2 0 328.271 2.182 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)C2(C3CCC3)CCC2)c1 ZINC001608938241 1351798484 /nfs/dbraw/zinc/79/84/84/1351798484.db2.gz UMOSXUMIHPPYQM-UHFFFAOYSA-N -2 0 337.397 2.160 20 0 EEADRL O=C([O-])c1cncc(S(=O)(=O)[N-]c2ccccc2OC(F)F)c1 ZINC001608982872 1351807835 /nfs/dbraw/zinc/80/78/35/1351807835.db2.gz CIKYKZOOZAAHMI-UHFFFAOYSA-N -2 0 344.295 2.182 20 0 EEADRL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)C(F)(F)F ZINC001610055046 1352150893 /nfs/dbraw/zinc/15/08/93/1352150893.db2.gz MEHOUPWBMHYYGY-VIFPVBQESA-N -2 0 329.271 2.143 20 0 EEADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)cs1 ZINC001610205391 1352185596 /nfs/dbraw/zinc/18/55/96/1352185596.db2.gz BKGMQTRNZALRMT-UHFFFAOYSA-N -2 0 347.395 2.095 20 0 EEADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)CC(C)(C)C ZINC001610400476 1352216915 /nfs/dbraw/zinc/21/69/15/1352216915.db2.gz YEWDLWXHVMPLDI-SNVBAGLBSA-N -2 0 329.418 2.362 20 0 EEADRL Cc1occc1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001610587957 1352249940 /nfs/dbraw/zinc/24/99/40/1352249940.db2.gz CGACXYSAEQNBCF-UHFFFAOYSA-N -2 0 343.744 2.058 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)cn1 ZINC001610836101 1352282600 /nfs/dbraw/zinc/28/26/00/1352282600.db2.gz YHMNORLJSUGQTK-UHFFFAOYSA-N -2 0 345.336 2.236 20 0 EEADRL Cc1cc(C)c(C(=O)N2C[C@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)s1 ZINC001600150264 1349980913 /nfs/dbraw/zinc/98/09/13/1349980913.db2.gz CGZWQRNFTZELMS-NOEPWBJOSA-N -2 0 337.397 2.003 20 0 EEADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(C)C(C)(C)CC(=O)[O-])n1 ZINC001600232013 1349997780 /nfs/dbraw/zinc/99/77/80/1349997780.db2.gz LZLKUYSZBBYDER-UHFFFAOYSA-N -2 0 349.362 2.351 20 0 EEADRL Cc1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])c2ccccc12 ZINC001600342368 1350024664 /nfs/dbraw/zinc/02/46/64/1350024664.db2.gz RTPCXJAYWJAMOR-VXGBXAGGSA-N -2 0 349.408 2.317 20 0 EEADRL Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])nc3)cc2s1 ZINC001600728735 1350122609 /nfs/dbraw/zinc/12/26/09/1350122609.db2.gz WUZVSVDAPFQKNV-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL Cc1nn(C)c([N-]S(=O)(=O)c2cccc(Cl)c2C)c1C(=O)[O-] ZINC001600774376 1350133245 /nfs/dbraw/zinc/13/32/45/1350133245.db2.gz MJAXPSZTYYUPKX-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL O=C([O-])[C@@H]1CCN(CC(=O)[N-]OCc2ccccc2)c2ccccc21 ZINC001601304781 1350253034 /nfs/dbraw/zinc/25/30/34/1350253034.db2.gz GVKCYOLENMZQBA-MRXNPFEDSA-N -2 0 340.379 2.313 20 0 EEADRL O=C([O-])C1(NC(=O)c2ccc3[n-]c(=S)oc3c2)CCSCC1 ZINC001601430848 1350282259 /nfs/dbraw/zinc/28/22/59/1350282259.db2.gz KOGPEDODBMJEKT-UHFFFAOYSA-N -2 0 338.410 2.197 20 0 EEADRL O=C([O-])C[C@@H]1CCCN(C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)C1 ZINC001601952601 1350404363 /nfs/dbraw/zinc/40/43/63/1350404363.db2.gz SRIZXQQSVBGLSC-QMMMGPOBSA-N -2 0 342.298 2.382 20 0 EEADRL O=C([O-])CCCCCNC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001601984754 1350411282 /nfs/dbraw/zinc/41/12/82/1350411282.db2.gz PUPRENQHDOVCDD-CQSZACIVSA-N -2 0 334.372 2.025 20 0 EEADRL O=C([O-])c1ccc2c(c1)CCN2Cc1c([O-])nnn1-c1ccccc1 ZINC001602419354 1350515101 /nfs/dbraw/zinc/51/51/01/1350515101.db2.gz WDOSPAXSSPWYBW-UHFFFAOYSA-N -2 0 336.351 2.234 20 0 EEADRL O=C([O-])c1cnc(C2CCN(c3ncccc3C(=O)[O-])CC2)s1 ZINC001602517224 1350536126 /nfs/dbraw/zinc/53/61/26/1350536126.db2.gz YFFKPDINJPZXIM-UHFFFAOYSA-N -2 0 333.369 2.319 20 0 EEADRL CC(C)c1ccc2occ(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])c2c1 ZINC001604004384 1350827539 /nfs/dbraw/zinc/82/75/39/1350827539.db2.gz NRZAVQCVGUYUQQ-SECBINFHSA-N -2 0 339.369 2.089 20 0 EEADRL C[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1ncc(C(=O)[O-])s1 ZINC001604307413 1350912506 /nfs/dbraw/zinc/91/25/06/1350912506.db2.gz HIBZOLBGXZETAW-BYPYZUCNSA-N -2 0 346.286 2.455 20 0 EEADRL CCCc1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)s1 ZINC001605383551 1351149882 /nfs/dbraw/zinc/14/98/82/1351149882.db2.gz OFAJFJNSVYIVET-UHFFFAOYSA-N -2 0 345.377 2.129 20 0 EEADRL CO[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[O-])[C@](C)(C(=O)[O-])C1 ZINC001606766108 1351353779 /nfs/dbraw/zinc/35/37/79/1351353779.db2.gz YUGJBLZDQPMOIE-RTHLEPHNSA-N -2 0 348.182 2.403 20 0 EEADRL C[C@H]1CN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)C[C@]1(C)C(=O)[O-] ZINC001607471010 1351498758 /nfs/dbraw/zinc/49/87/58/1351498758.db2.gz RCLSFPARXSPAHN-NBGRUEAGSA-N -2 0 346.383 2.052 20 0 EEADRL Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC001607492555 1351504083 /nfs/dbraw/zinc/50/40/83/1351504083.db2.gz QPZXAFYVMPBTIE-CMDGGOBGSA-N -2 0 348.380 2.060 20 0 EEADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)c1 ZINC001607788761 1351558942 /nfs/dbraw/zinc/55/89/42/1351558942.db2.gz UWRKRZXMGNJINH-UHFFFAOYSA-N -2 0 328.777 2.486 20 0 EEADRL Cc1cc2c(ncnc2[N-]S(=O)(=O)c2ccccc2C(=O)[O-])s1 ZINC001198730666 1368641505 /nfs/dbraw/zinc/64/15/05/1368641505.db2.gz VMIGCGNRBHFNOY-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL COC(=O)CCCS(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1[O-] ZINC001201912657 1368861451 /nfs/dbraw/zinc/86/14/51/1368861451.db2.gz IOIQOTBWRYSKFR-UHFFFAOYSA-N -2 0 342.200 2.394 20 0 EEADRL Cc1cc(C[N-]S(=O)(=O)[C@H](C)C(F)(F)F)ccc1C(=O)[O-] ZINC000837293676 1372778639 /nfs/dbraw/zinc/77/86/39/1372778639.db2.gz GUTGEROXHMFDEY-MRVPVSSYSA-N -2 0 325.308 2.063 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)CC(C2CCC2)C2CCC2)C1 ZINC000910180986 786513136 /nfs/dbraw/zinc/51/31/36/786513136.db2.gz BBZVTHHOYVLJDI-UKRRQHHQSA-N -2 0 337.416 2.369 20 0 EEADRL CC(C)(C)c1cccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1 ZINC000910183535 786515520 /nfs/dbraw/zinc/51/55/20/786515520.db2.gz MGSMLHPHTMROSG-TZMCWYRMSA-N -2 0 333.384 2.374 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cccc3ccsc32)C1 ZINC000910183484 786515670 /nfs/dbraw/zinc/51/56/70/786515670.db2.gz BURHXRFGMMUHEX-JQWIXIFHSA-N -2 0 333.365 2.291 20 0 EEADRL C[C@H](CC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])C1CCCCC1 ZINC000910188202 786520424 /nfs/dbraw/zinc/52/04/24/786520424.db2.gz JOIWUJCRFHQRKT-MRVWCRGKSA-N -2 0 325.405 2.369 20 0 EEADRL CCCN(C(=O)c1nn(-c2cc(C)ccc2F)cc1[O-])[C@H](C)C(=O)[O-] ZINC000911711324 787650697 /nfs/dbraw/zinc/65/06/97/787650697.db2.gz IDAQQNFKYXCJRY-LLVKDONJSA-N -2 0 349.362 2.351 20 0 EEADRL O=C([O-])c1cc(Nc2ccc(Cn3cncn3)cc2)cc(C(=O)[O-])c1 ZINC001176241595 798392411 /nfs/dbraw/zinc/39/24/11/798392411.db2.gz NBSRPIQMXSWDRZ-UHFFFAOYSA-N -2 0 338.323 2.466 20 0 EEADRL O=C([O-])c1cc(Nc2cc(F)cc3c2NC(=O)C3)cc(C(=O)[O-])c1 ZINC001176243758 798392533 /nfs/dbraw/zinc/39/25/33/798392533.db2.gz DBJAMVHQEGYEJE-UHFFFAOYSA-N -2 0 330.271 2.460 20 0 EEADRL O=C(NCCOP(=O)([O-])[O-])C1c2ccccc2-c2ccccc21 ZINC001181916481 800955207 /nfs/dbraw/zinc/95/52/07/800955207.db2.gz ZPBJAESFZNSKBL-UHFFFAOYSA-N -2 0 333.280 2.024 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cnc(F)c(F)c2)cc1C(=O)[O-] ZINC001184669759 802104690 /nfs/dbraw/zinc/10/46/90/802104690.db2.gz HSRBFVFETJKVME-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O ZINC000806633558 811952038 /nfs/dbraw/zinc/95/20/38/811952038.db2.gz VQNGQTICXIIYBM-UHFFFAOYSA-N -2 0 342.760 2.248 20 0 EEADRL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC000863955808 939244500 /nfs/dbraw/zinc/24/45/00/939244500.db2.gz YSJJOXVXLCZEOI-SMDDNHRTSA-N -2 0 339.413 2.085 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)s1 ZINC000390967824 972310627 /nfs/dbraw/zinc/31/06/27/972310627.db2.gz CTHMFVMQAFHXHI-UHFFFAOYSA-N -2 0 349.393 2.433 20 0 EEADRL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccncc1 ZINC000314272531 963734137 /nfs/dbraw/zinc/73/41/37/963734137.db2.gz UVSZSYAQBQOTGQ-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000314496004 963761153 /nfs/dbraw/zinc/76/11/53/963761153.db2.gz PSMCTYYABDTQAS-UHFFFAOYSA-N -2 0 341.366 2.018 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)n2)cc1C(=O)[O-] ZINC000317997208 970403157 /nfs/dbraw/zinc/40/31/57/970403157.db2.gz XOMVLDHEVCTEEN-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL CC[C@H](CC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C)C(C)C ZINC001595036710 979198785 /nfs/dbraw/zinc/19/87/85/979198785.db2.gz IXQBIUXJRVIKKL-SNVBAGLBSA-N -2 0 331.390 2.163 20 0 EEADRL CCCCS[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001595785853 982572363 /nfs/dbraw/zinc/57/23/63/982572363.db2.gz IURZTLNYKHJKEF-VIFPVBQESA-N -2 0 349.430 2.013 20 0 EEADRL CCCc1nnc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])o1 ZINC001596094993 983416610 /nfs/dbraw/zinc/41/66/10/983416610.db2.gz CVHMHLRNOKHGCQ-UHFFFAOYSA-N -2 0 345.764 2.175 20 0 EEADRL CCO[C@@H]1C[C@](NC(=O)c2cccc(Cl)c2[O-])(C(=O)[O-])C1(C)C ZINC001596826817 985435627 /nfs/dbraw/zinc/43/56/27/985435627.db2.gz FNIXYZKYKSQTBO-BZNIZROVSA-N -2 0 341.791 2.434 20 0 EEADRL CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(F)(F)F ZINC001589719406 987879181 /nfs/dbraw/zinc/87/91/81/987879181.db2.gz GBMPFQDDMJPORE-VIFPVBQESA-N -2 0 329.296 2.233 20 0 EEADRL CCc1cccnc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC001597621896 988554558 /nfs/dbraw/zinc/55/45/58/988554558.db2.gz JNZUQPVJDRDHHS-UHFFFAOYSA-N -2 0 336.369 2.152 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc2c(C)cccn12 ZINC001597790480 989311980 /nfs/dbraw/zinc/31/19/80/989311980.db2.gz DLBPSFHZURPVJP-UHFFFAOYSA-N -2 0 349.368 2.297 20 0 EEADRL CN(C)c1cc(C(=O)[O-])ccc1NC(=O)NC(C)(C)CCC(=O)[O-] ZINC001598294018 991215017 /nfs/dbraw/zinc/21/50/17/991215017.db2.gz BHDVBCISKFGSNV-UHFFFAOYSA-N -2 0 337.376 2.216 20 0 EEADRL C[C@H](O)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)ccc1F ZINC001593477062 995414936 /nfs/dbraw/zinc/41/49/36/995414936.db2.gz HIXMVANIVHDTOQ-ZETCQYMHSA-N -2 0 345.373 2.440 20 0 EEADRL C[C@H]1CCC[C@]1(C)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001594357086 999350124 /nfs/dbraw/zinc/35/01/24/999350124.db2.gz IVHSLEIJPVKGGU-SDBXPKJASA-N -2 0 331.415 2.078 20 0 EEADRL CC(C)c1nn(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000280964151 201325093 /nfs/dbraw/zinc/32/50/93/201325093.db2.gz KUHVIURDVRXLGO-UHFFFAOYSA-N -2 0 341.364 2.182 20 0 EEADRL CCc1onc(C)c1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000270432491 256134865 /nfs/dbraw/zinc/13/48/65/256134865.db2.gz OPPCZTMHHRMYEJ-UHFFFAOYSA-N -2 0 330.387 2.414 20 0 EEADRL CCc1ccc(O)c(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1 ZINC000340326640 160920969 /nfs/dbraw/zinc/92/09/69/160920969.db2.gz BMAKXBURRLGECH-UHFFFAOYSA-N -2 0 340.339 2.265 20 0 EEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1O ZINC000345702110 161324170 /nfs/dbraw/zinc/32/41/70/161324170.db2.gz ZJNVHHGKPZHMER-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL CN(c1cc(F)ccc1F)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000360497371 164323149 /nfs/dbraw/zinc/32/31/49/164323149.db2.gz ZUNAVEUJKSTGAS-UHFFFAOYSA-N -2 0 343.307 2.194 20 0 EEADRL CC(C)c1scnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000288327613 275046881 /nfs/dbraw/zinc/04/68/81/275046881.db2.gz VGLSQCDGYHIYTJ-UHFFFAOYSA-N -2 0 329.403 2.104 20 0 EEADRL CC(C)C[C@H](CNC(=O)c1nn(-c2ccccc2F)cc1[O-])C(=O)[O-] ZINC000579825834 323936666 /nfs/dbraw/zinc/93/66/66/323936666.db2.gz DCPCXJJESLNXFO-LLVKDONJSA-N -2 0 349.362 2.194 20 0 EEADRL O=C([O-])[C@H]1CCCN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)C1 ZINC000581001612 324166508 /nfs/dbraw/zinc/16/65/08/324166508.db2.gz PHQVQOKAHMHGIW-QMMMGPOBSA-N -2 0 338.414 2.017 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)C)nc1 ZINC000266792240 464823424 /nfs/dbraw/zinc/82/34/24/464823424.db2.gz PNHZTJXZKXXZJC-UHFFFAOYSA-N -2 0 340.357 2.269 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2[nH]c(=O)oc21 ZINC000357356357 465975431 /nfs/dbraw/zinc/97/54/31/465975431.db2.gz KFKODHVKEBCFQN-UHFFFAOYSA-N -2 0 348.336 2.341 20 0 EEADRL CC(C)n1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cn1 ZINC000319475806 466595850 /nfs/dbraw/zinc/59/58/50/466595850.db2.gz DVTHAIGTOHDQJN-UHFFFAOYSA-N -2 0 327.337 2.102 20 0 EEADRL N#Cc1cncc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)[O-])c1 ZINC000320588140 466611563 /nfs/dbraw/zinc/61/15/63/466611563.db2.gz OBEHPBCFSAJFIS-UHFFFAOYSA-N -2 0 337.744 2.106 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cn(C)c(C(C)C)n1 ZINC000570048979 468583897 /nfs/dbraw/zinc/58/38/97/468583897.db2.gz NFJCMMMDGXEZEJ-UHFFFAOYSA-N -2 0 337.401 2.351 20 0 EEADRL C[C@@H]1CN(C(=O)N=c2nc(-c3ccccc3)[n-]s2)CC[C@@H]1C(=O)[O-] ZINC000630558351 469898825 /nfs/dbraw/zinc/89/88/25/469898825.db2.gz LKZGOWPZDLOODK-PWSUYJOCSA-N -2 0 346.412 2.202 20 0 EEADRL COC(C)(C)c1nc(=NC(=O)c2cc(F)c([O-])c(F)c2)s[n-]1 ZINC000634151995 470225437 /nfs/dbraw/zinc/22/54/37/470225437.db2.gz QSJFKTXFEXBSMB-UHFFFAOYSA-N -2 0 329.328 2.078 20 0 EEADRL Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(F)c(NC(=O)[O-])c1 ZINC000738945444 576190425 /nfs/dbraw/zinc/19/04/25/576190425.db2.gz VZWJTKOEKKCRDG-UHFFFAOYSA-N -2 0 329.309 2.321 20 0 EEADRL Cc1cccc(O)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000776747358 577466991 /nfs/dbraw/zinc/46/69/91/577466991.db2.gz CHSFYZDGMMLUBF-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000768281723 577553162 /nfs/dbraw/zinc/55/31/62/577553162.db2.gz GAXGDLJBOVBRGF-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL CC1(C)C([N-]C(=O)C(F)(F)F)C(C)(C)C1[N-]C(=O)C(F)(F)F ZINC000752819784 577776740 /nfs/dbraw/zinc/77/67/40/577776740.db2.gz CZBAFYUJXOYPQN-UHFFFAOYSA-N -2 0 334.260 2.147 20 0 EEADRL Cc1nc([N-]S(=O)(=O)Cc2ccccc2F)sc1C(=O)[O-] ZINC000738864794 578029210 /nfs/dbraw/zinc/02/92/10/578029210.db2.gz DZVVPNSEJNASSB-UHFFFAOYSA-N -2 0 330.362 2.231 20 0 EEADRL C[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736561506 578211416 /nfs/dbraw/zinc/21/14/16/578211416.db2.gz IGFGRDQXNMPEGX-SECBINFHSA-N -2 0 345.442 2.468 20 0 EEADRL CCC(CC)CS(=O)(=O)[N-]C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736894095 578228473 /nfs/dbraw/zinc/22/84/73/578228473.db2.gz FLBWYHDHKWBMOM-UHFFFAOYSA-N -2 0 328.390 2.272 20 0 EEADRL CCCc1sc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1CC ZINC000737050063 578235267 /nfs/dbraw/zinc/23/52/67/578235267.db2.gz IAIVCYVPXMFSLM-UHFFFAOYSA-N -2 0 347.458 2.187 20 0 EEADRL Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000737223673 578244410 /nfs/dbraw/zinc/24/44/10/578244410.db2.gz BGHAGJUBAQDWQY-UHFFFAOYSA-N -2 0 333.348 2.115 20 0 EEADRL CN(C)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000315752326 600104891 /nfs/dbraw/zinc/10/48/91/600104891.db2.gz PTFPXBMOXBXBPE-UHFFFAOYSA-N -2 0 344.776 2.498 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(C)c(O)c2)c1C(=O)[O-] ZINC000317827604 600684726 /nfs/dbraw/zinc/68/47/26/600684726.db2.gz PAUGWLHWBNJAPR-UHFFFAOYSA-N -2 0 325.342 2.409 20 0 EEADRL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c(F)c1 ZINC000832913596 601142223 /nfs/dbraw/zinc/14/22/23/601142223.db2.gz KLYRCURRJJCMOP-UHFFFAOYSA-N -2 0 343.357 2.013 20 0 EEADRL O=C([O-])c1c(F)ccc(S(=O)(=O)NC[C@H]2CC=CCC2)c1F ZINC000315020108 601232506 /nfs/dbraw/zinc/23/25/06/601232506.db2.gz LEJKJSLLMJLLQR-VIFPVBQESA-N -2 0 331.340 2.298 20 0 EEADRL CCn1ncc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)cc21 ZINC000830450911 601232735 /nfs/dbraw/zinc/23/27/35/601232735.db2.gz HGHSPAVJONQEIE-UHFFFAOYSA-N -2 0 349.368 2.457 20 0 EEADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])o1 ZINC000829885726 601475279 /nfs/dbraw/zinc/47/52/79/601475279.db2.gz WYIWXZWSHFAKRY-UHFFFAOYSA-N -2 0 345.354 2.017 20 0 EEADRL Cn1cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1C(=O)[O-] ZINC000833053127 601785288 /nfs/dbraw/zinc/78/52/88/601785288.db2.gz QYVABZQNXJSFIA-UHFFFAOYSA-N -2 0 332.740 2.317 20 0 EEADRL O=C([O-])c1csc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC000833299454 602117951 /nfs/dbraw/zinc/11/79/51/602117951.db2.gz QVAVGAOCJASLCO-UHFFFAOYSA-N -3 0 345.329 2.084 20 0 EEADRL CCC(=O)c1cccc(S(=O)(=O)[N-]c2cncc(C(=O)[O-])c2)c1 ZINC000833636111 604912777 /nfs/dbraw/zinc/91/27/77/604912777.db2.gz HZQBBJGKYLYONM-UHFFFAOYSA-N -2 0 334.353 2.173 20 0 EEADRL CC1(C)CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000833557128 605087869 /nfs/dbraw/zinc/08/78/69/605087869.db2.gz NJBGNTLAVXJASG-NSHDSACASA-N -2 0 325.386 2.016 20 0 EEADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)nc1 ZINC000318602467 684348952 /nfs/dbraw/zinc/34/89/52/684348952.db2.gz HMKFHEFVDQFFJZ-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL CC(C)(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)CCC1CCCCC1 ZINC000863963094 1197938545 /nfs/dbraw/zinc/93/85/45/1197938545.db2.gz JLXHAFIZGRJVMA-GFCCVEGCSA-N -2 0 333.450 2.150 20 0 EEADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)[C@@H]2CC3CCC2CC3)cc1 ZINC000863963850 1197938899 /nfs/dbraw/zinc/93/88/99/1197938899.db2.gz IQCPPZMFEQAOGD-QIMFLAQGSA-N -2 0 337.397 2.023 20 0 EEADRL O=C(Nc1ccnn1CC1CC1)c1ccccc1OP(=O)([O-])[O-] ZINC001189871951 1280531052 /nfs/dbraw/zinc/53/10/52/1280531052.db2.gz QHBAFHYXSJCVDN-UHFFFAOYSA-N -2 0 337.272 2.017 20 0 EEADRL COc1nc(S(=O)(=O)[N-]c2cc([O-])c(F)c(F)c2)ccc1F ZINC001190096837 1280652121 /nfs/dbraw/zinc/65/21/21/1280652121.db2.gz QSQXEMIWEUGJSB-UHFFFAOYSA-N -2 0 334.275 2.014 20 0 EEADRL CCc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cn1 ZINC001192109377 1281802173 /nfs/dbraw/zinc/80/21/73/1281802173.db2.gz ANAWLABABQHLQS-UHFFFAOYSA-N -2 0 334.397 2.462 20 0 EEADRL CCCCCSc1ncccc1C(=O)NCCOP(=O)([O-])[O-] ZINC001192589664 1282067282 /nfs/dbraw/zinc/06/72/82/1282067282.db2.gz BWIWHTYKPFCNCF-UHFFFAOYSA-N -2 0 348.361 2.203 20 0 EEADRL COc1ncccc1-c1noc(-c2ccccc2OP(=O)([O-])[O-])n1 ZINC001216746613 1297274287 /nfs/dbraw/zinc/27/42/87/1297274287.db2.gz ZJGBRGDXJNBJGV-UHFFFAOYSA-N -2 0 349.239 2.279 20 0 EEADRL CCOC(=O)N1CCC(Oc2ccc(OP(=O)([O-])[O-])cc2)CC1 ZINC001234332326 1304878057 /nfs/dbraw/zinc/87/80/57/1304878057.db2.gz OCHOIAFJPNJETR-UHFFFAOYSA-N -2 0 345.288 2.158 20 0 EEADRL Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC001237603181 1305998078 /nfs/dbraw/zinc/99/80/78/1305998078.db2.gz LNVSKXZHXNNIDK-UHFFFAOYSA-N -2 0 326.761 2.421 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ncccc2C(=O)N2CCCC2)c1 ZINC001242159134 1309621931 /nfs/dbraw/zinc/62/19/31/1309621931.db2.gz AEBIBNGCMNYXFY-UHFFFAOYSA-N -2 0 340.335 2.381 20 0 EEADRL COc1nc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc2c1ccn2C ZINC001242160030 1309622427 /nfs/dbraw/zinc/62/24/27/1309622427.db2.gz CCFNUELNRDPVRE-UHFFFAOYSA-N -2 0 327.296 2.040 20 0 EEADRL O=C1[N-]S(=O)(=O)c2cc(-c3cc(Cl)c([O-])cc3F)ccc21 ZINC001245671345 1310155680 /nfs/dbraw/zinc/15/56/80/1310155680.db2.gz IBENBZQZEZGEBO-UHFFFAOYSA-N -2 0 327.720 2.284 20 0 EEADRL O=C([O-])c1cc(CCS(=O)(=O)c2ccccc2)cc(C(=O)[O-])c1 ZINC001250122974 1317215272 /nfs/dbraw/zinc/21/52/72/1317215272.db2.gz JHMZVLYMVQFZKA-UHFFFAOYSA-N -2 0 334.349 2.099 20 0 EEADRL Cc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c(Cl)n1 ZINC001260209964 1319833226 /nfs/dbraw/zinc/83/32/26/1319833226.db2.gz YQESZSZPHPGWDN-UHFFFAOYSA-N -2 0 345.739 2.077 20 0 EEADRL CC(C)(C)C[C@@H](OC(=O)c1ccccc1[N-]S(C)(=O)=O)C(=O)[O-] ZINC001603332164 1350689708 /nfs/dbraw/zinc/68/97/08/1350689708.db2.gz WGUSSGWKCODRJB-GFCCVEGCSA-N -2 0 343.401 2.104 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](C)CC2CCCC2)oc1C(=O)[O-] ZINC001607703330 1351542747 /nfs/dbraw/zinc/54/27/47/1351542747.db2.gz YYJFGAJZCWZZPA-SNVBAGLBSA-N -2 0 343.401 2.308 20 0 EEADRL O=C([O-])CCSCc1cccc(NC(=O)[C@H](C(=O)[O-])C2CC2)c1 ZINC001608733602 1351751576 /nfs/dbraw/zinc/75/15/76/1351751576.db2.gz OAALYCPIBCAFRX-CQSZACIVSA-N -2 0 337.397 2.444 20 0 EEADRL CC(C)(CS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21)C(=O)[O-] ZINC001609677146 1352056885 /nfs/dbraw/zinc/05/68/85/1352056885.db2.gz OMPGJHLLXBOTKZ-FRRDWIJNSA-N -2 0 345.461 2.150 20 0 EEADRL CCC/C(C)=C/C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001609954220 1352128780 /nfs/dbraw/zinc/12/87/80/1352128780.db2.gz CCIIYDLGIVSTRH-DHZHZOJOSA-N -2 0 325.386 2.077 20 0 EEADRL CCc1[nH]nc([N-]S(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)c1C ZINC001610056568 1352151460 /nfs/dbraw/zinc/15/14/60/1352151460.db2.gz MCODWHIPUIKVQL-RMKNXTFCSA-N -2 0 335.385 2.179 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])c(C)n1 ZINC001610342975 1352208351 /nfs/dbraw/zinc/20/83/51/1352208351.db2.gz BDPZZLLZLDXNPK-UHFFFAOYSA-N -2 0 342.398 2.268 20 0 EEADRL COc1cccc([C@@H](CC(=O)[O-])[NH2+]Cc2cc(C(=O)[O-])n(C)c2)c1 ZINC001610355963 1352210114 /nfs/dbraw/zinc/21/01/14/1352210114.db2.gz ZPZBIZXPXBYUBQ-CQSZACIVSA-N -2 0 332.356 2.038 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)n[nH]c1C(C)C ZINC001610410648 1352218419 /nfs/dbraw/zinc/21/84/19/1352218419.db2.gz HPYYLODXCIZICH-UHFFFAOYSA-N -2 0 329.403 2.402 20 0 EEADRL O=C(COC(=O)c1ccc([O-])c(Cl)c1)[N-]OCc1ccccc1 ZINC000848950618 1338810458 /nfs/dbraw/zinc/81/04/58/1338810458.db2.gz VVYSRRBDIWGOCN-UHFFFAOYSA-N -2 0 335.743 2.450 20 0 EEADRL Cc1cc(C2CC2)nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)n1 ZINC001610457871 1352225768 /nfs/dbraw/zinc/22/57/68/1352225768.db2.gz NPYKACLDCOZYTB-UHFFFAOYSA-N -2 0 339.398 2.223 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)nnc1C ZINC001610474357 1352228510 /nfs/dbraw/zinc/22/85/10/1352228510.db2.gz CIRGUMJLQHXYDD-UHFFFAOYSA-N -2 0 347.396 2.010 20 0 EEADRL Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)c1cc(C(=O)[O-])co1 ZINC001610522852 1352238185 /nfs/dbraw/zinc/23/81/85/1352238185.db2.gz DZJMWTSIMCCTDA-UHFFFAOYSA-N -2 0 343.744 2.058 20 0 EEADRL Cc1csc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001610545015 1352242458 /nfs/dbraw/zinc/24/24/58/1352242458.db2.gz MAJHEJCZZXFNJT-UHFFFAOYSA-N -3 0 345.354 2.155 20 0 EEADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cccc(Cl)n1 ZINC001610807120 1352278406 /nfs/dbraw/zinc/27/84/06/1352278406.db2.gz PBULNNNSHHOFLP-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([N-]OC/C=C\Cl)C1(c2ccc(-c3nn[nH]n3)cc2)CCCC1 ZINC001593168869 1349743534 /nfs/dbraw/zinc/74/35/34/1349743534.db2.gz FQYZQUDUMBWTRC-KMKOMSMNSA-N -2 0 347.806 2.479 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1nccc(C2CC2)n1 ZINC001599999793 1349952753 /nfs/dbraw/zinc/95/27/53/1349952753.db2.gz JEPPVQFNUSMAGE-UHFFFAOYSA-N -2 0 333.369 2.161 20 0 EEADRL Cc1cc(C(=O)[N-]n2cnc3sc(C)c(C)c3c2=O)oc1C(=O)[O-] ZINC001600101042 1349971495 /nfs/dbraw/zinc/97/14/95/1349971495.db2.gz BOJLISAEWARLSD-UHFFFAOYSA-N -2 0 347.352 2.058 20 0 EEADRL Cc1cc(F)c(S(=O)(=O)[N-]c2nnc(C(C)C)o2)cc1C(=O)[O-] ZINC001600227912 1349996940 /nfs/dbraw/zinc/99/69/40/1349996940.db2.gz XJPAQDGAKNJKBY-UHFFFAOYSA-N -2 0 343.336 2.140 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2cnn(C(C)(C)C)c2)c1C(=O)[O-] ZINC001600550637 1350079848 /nfs/dbraw/zinc/07/98/48/1350079848.db2.gz JMKANOMMTZHNES-UHFFFAOYSA-N -2 0 337.401 2.446 20 0 EEADRL Cc1cnn(CC2CC2)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC001600636826 1350103294 /nfs/dbraw/zinc/10/32/94/1350103294.db2.gz ODVKXJSRGHNDRR-UHFFFAOYSA-N -2 0 341.414 2.162 20 0 EEADRL Cc1nc(-c2ccsc2)ccc1C(=O)N(CCC(=O)[O-])CC(=O)[O-] ZINC001600681205 1350115982 /nfs/dbraw/zinc/11/59/82/1350115982.db2.gz LLNJEXUSKRJRFY-UHFFFAOYSA-N -2 0 348.380 2.120 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2scnc2C2CC2)cc1C(=O)[O-] ZINC001600856477 1350153364 /nfs/dbraw/zinc/15/33/64/1350153364.db2.gz AJLAQVOQKMYECK-UHFFFAOYSA-N -2 0 328.371 2.421 20 0 EEADRL Cn1cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(N2CCCC2)c1 ZINC001600941706 1350173110 /nfs/dbraw/zinc/17/31/10/1350173110.db2.gz SRIRVTNAKZHFAH-UHFFFAOYSA-N -2 0 349.412 2.124 20 0 EEADRL O=C([O-])[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c2ccccc21 ZINC001601802510 1350367903 /nfs/dbraw/zinc/36/79/03/1350367903.db2.gz ZYQPITPATGQVEM-RBDSIQFVSA-N -2 0 331.368 2.307 20 0 EEADRL O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2nccc(Br)c2[O-])C1 ZINC001601805176 1350368664 /nfs/dbraw/zinc/36/86/64/1350368664.db2.gz GLWNJZHZRDOXHM-SFYZADRCSA-N -2 0 343.177 2.379 20 0 EEADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1noc2ccccc21 ZINC001602232211 1350471689 /nfs/dbraw/zinc/47/16/89/1350471689.db2.gz RDJGMEMDHADHKT-UHFFFAOYSA-N -2 0 336.300 2.466 20 0 EEADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2n[nH]c3ccccc32)c1 ZINC001602274241 1350483390 /nfs/dbraw/zinc/48/33/90/1350483390.db2.gz LIJYHKDJASURDM-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2noc3cc(Cl)ccc23)c[nH]1 ZINC001602297473 1350487850 /nfs/dbraw/zinc/48/78/50/1350487850.db2.gz KVRSAAKAQGQGMD-UHFFFAOYSA-N -2 0 341.732 2.308 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnc(Cl)cn2)cc1Cl ZINC001602402070 1350510880 /nfs/dbraw/zinc/51/08/80/1350510880.db2.gz KJHLNVXCIGSBSV-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL O=C([O-])c1cnc([C@H]2CCCN(c3cccc(C(=O)[O-])n3)C2)s1 ZINC001602442274 1350520478 /nfs/dbraw/zinc/52/04/78/1350520478.db2.gz FDHHDSXSEBJWRA-VIFPVBQESA-N -2 0 333.369 2.319 20 0 EEADRL O=C([O-])c1cncc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC001602541218 1350542247 /nfs/dbraw/zinc/54/22/47/1350542247.db2.gz HLWJMTHZFRSFLM-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)N[C@@H]2CCSc3ccccc32)c1 ZINC001602557007 1350545643 /nfs/dbraw/zinc/54/56/43/1350545643.db2.gz OHCRPYSWWNFSRF-LLVKDONJSA-N -2 0 339.394 2.493 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2ccccc2OC(F)F)c1 ZINC001602557805 1350545853 /nfs/dbraw/zinc/54/58/53/1350545853.db2.gz FGNOVANLTUXYCD-UHFFFAOYSA-N -2 0 333.268 2.380 20 0 EEADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1ccc(C2CCC2)cc1)C(=O)[O-] ZINC001603661130 1350736654 /nfs/dbraw/zinc/73/66/54/1350736654.db2.gz XPLBKHVJSFTDMX-UHFFFAOYSA-N -2 0 339.413 2.125 20 0 EEADRL CC(C)c1nnc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)o1 ZINC001604026992 1350833288 /nfs/dbraw/zinc/83/32/88/1350833288.db2.gz VJAWBYKXFYWKRL-YVMONPNESA-N -2 0 337.357 2.092 20 0 EEADRL CCOCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001605642349 1351208023 /nfs/dbraw/zinc/20/80/23/1351208023.db2.gz NBVJVWWZTJGPKK-UHFFFAOYSA-N -2 0 325.342 2.315 20 0 EEADRL CCc1ccsc1C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001605837007 1351232644 /nfs/dbraw/zinc/23/26/44/1351232644.db2.gz OJYXMNVLRLKFJU-UHFFFAOYSA-N -2 0 345.423 2.189 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnoc1C1CC1 ZINC001605885142 1351246144 /nfs/dbraw/zinc/24/61/44/1351246144.db2.gz KTDOAWAWAQTGPY-UHFFFAOYSA-N -2 0 326.330 2.206 20 0 EEADRL COc1ccc([C@H](NC(=O)c2cc(F)c([O-])c(F)c2)C(=O)[O-])cc1 ZINC001607227438 1351453888 /nfs/dbraw/zinc/45/38/88/1351453888.db2.gz KDEPFHSWQYOQNN-ZDUSSCGKSA-N -2 0 337.278 2.235 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2nc3c(cccc3C(=O)[O-])[nH]2)c1 ZINC001607863338 1351574418 /nfs/dbraw/zinc/57/44/18/1351574418.db2.gz WUYNMGORHWSPQU-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2nc(C3CC3)cs2)cc1C(=O)[O-] ZINC001608056612 1351616031 /nfs/dbraw/zinc/61/60/31/1351616031.db2.gz ADAFCJRELUOHQA-UHFFFAOYSA-N -2 0 328.371 2.421 20 0 EEADRL O=C(C=Cc1cc(C(=O)[O-])co1)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC001608283086 1351662785 /nfs/dbraw/zinc/66/27/85/1351662785.db2.gz BWTXBSJZKLDHGY-SNAWJCMRSA-N -2 0 340.295 2.120 20 0 EEADRL O=C([O-])c1ccccc1CC(=O)[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC001608367769 1351680223 /nfs/dbraw/zinc/68/02/23/1351680223.db2.gz CEZFUMGSAYFMQI-KHPPLWFESA-N -2 0 345.376 2.044 20 0 EEADRL O=C([O-])CCCC(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC001771828255 1409960726 /nfs/dbraw/zinc/96/07/26/1409960726.db2.gz QEQMEGSNCHQIOX-UHFFFAOYSA-N -2 0 346.213 2.115 20 0 EEADRL C[C@H](C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000910183813 786515391 /nfs/dbraw/zinc/51/53/91/786515391.db2.gz NISUYGYRIDXSNX-UFGOTCBOSA-N -2 0 339.775 2.220 20 0 EEADRL Cc1ccc(Cl)cc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910183843 786515617 /nfs/dbraw/zinc/51/56/17/786515617.db2.gz NUOIUBXPPCENJZ-JOYOIKCWSA-N -2 0 325.748 2.038 20 0 EEADRL C/C(=C/c1ccc(C)cc1)C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910185762 786517813 /nfs/dbraw/zinc/51/78/13/786517813.db2.gz LBUAGPXZSZKNPI-PUCGFSNJSA-N -2 0 331.368 2.175 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000910186449 786518746 /nfs/dbraw/zinc/51/87/46/786518746.db2.gz RICJWYICOBNLKB-RDDDGLTNSA-N -2 0 346.166 2.383 20 0 EEADRL C[C@H](CC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1cccc(F)c1 ZINC000910188533 786521269 /nfs/dbraw/zinc/52/12/69/786521269.db2.gz KYXXQWGUNVRCHN-OSMZGAPFSA-N -2 0 337.347 2.096 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2csc3ccccc23)C1 ZINC000910190527 786522829 /nfs/dbraw/zinc/52/28/29/786522829.db2.gz XCWKLSHGXDOBRB-CABZTGNLSA-N -2 0 333.365 2.291 20 0 EEADRL CNC(=O)c1ccc(F)c(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176243651 798392500 /nfs/dbraw/zinc/39/25/00/798392500.db2.gz AZTBHYHPDVMJEK-UHFFFAOYSA-N -2 0 332.287 2.325 20 0 EEADRL CS(=O)(=O)c1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001176241619 798392529 /nfs/dbraw/zinc/39/25/29/798392529.db2.gz OKUAQLBNILNNCE-UHFFFAOYSA-N -2 0 335.337 2.230 20 0 EEADRL N#Cc1cncc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000390701837 972299882 /nfs/dbraw/zinc/29/98/82/972299882.db2.gz FCJVMIQBIXDKKS-UHFFFAOYSA-N -2 0 337.744 2.106 20 0 EEADRL O=C([O-])c1cncc(NC(=O)c2cnc3cc(F)c(F)cc3c2O)c1 ZINC001574818242 957893894 /nfs/dbraw/zinc/89/38/94/957893894.db2.gz JEPQDKXRKDYAIQ-UHFFFAOYSA-N -2 0 345.261 2.152 20 0 EEADRL N#Cc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1F ZINC000307912136 963238542 /nfs/dbraw/zinc/23/85/42/963238542.db2.gz HPYJWODOKHSNLL-UHFFFAOYSA-N -2 0 326.330 2.258 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1[N+](=O)[O-] ZINC000314529819 963764579 /nfs/dbraw/zinc/76/45/79/963764579.db2.gz ADVCPMXIJKPBHA-UHFFFAOYSA-N -2 0 342.354 2.464 20 0 EEADRL COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000314657109 963786274 /nfs/dbraw/zinc/78/62/74/963786274.db2.gz DTACCAIBYIQYEY-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Cl)c2)o1 ZINC000317160928 970333775 /nfs/dbraw/zinc/33/37/75/970333775.db2.gz YHPRMAAQZSERIF-UHFFFAOYSA-N -2 0 346.704 2.340 20 0 EEADRL C[C@@H]1CCCN(Cc2ncc(Br)cc2[O-])[C@@H]1C(=O)[O-] ZINC001603414719 973097477 /nfs/dbraw/zinc/09/74/77/973097477.db2.gz FZIWPMNTWHTJTA-PELKAZGASA-N -2 0 329.194 2.235 20 0 EEADRL CC(C)c1ccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)cc1 ZINC001591953933 976521233 /nfs/dbraw/zinc/52/12/33/976521233.db2.gz GZIJOHHVVKHWSD-UHFFFAOYSA-N -2 0 338.385 2.017 20 0 EEADRL C[C@H](C1CC1)n1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cn1 ZINC001592180683 977095196 /nfs/dbraw/zinc/09/51/96/977095196.db2.gz CVJHBRGMUDDANG-SNVBAGLBSA-N -2 0 335.385 2.353 20 0 EEADRL C[C@H](CCC(C)(C)C)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001592477949 978247797 /nfs/dbraw/zinc/24/77/97/978247797.db2.gz PJZLLNZKICBRGN-SECBINFHSA-N -2 0 331.390 2.245 20 0 EEADRL CCC/C=C\C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001595624428 981732066 /nfs/dbraw/zinc/73/20/66/981732066.db2.gz VNSQGEUEUJOLKK-PLNGDYQASA-N -2 0 331.777 2.199 20 0 EEADRL CCC(C)(C)CCNC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001594800953 981892903 /nfs/dbraw/zinc/89/29/03/981892903.db2.gz SBNQQFOEGYEDPU-VMBJYNEYSA-N -2 0 340.420 2.020 20 0 EEADRL CCCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cn1 ZINC001595781157 982560145 /nfs/dbraw/zinc/56/01/45/982560145.db2.gz YWYIKISLFUJOKJ-UHFFFAOYSA-N -2 0 340.357 2.353 20 0 EEADRL CN(C(=O)c1s[n-]c(=O)c1Cl)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598103520 990473047 /nfs/dbraw/zinc/47/30/47/990473047.db2.gz KZBPSRRHMBLXMF-SECBINFHSA-N -2 0 326.761 2.400 20 0 EEADRL C[C@H](Sc1ccccc1C(=O)N1CC[C@](C)(C(=O)[O-])C1)C(=O)[O-] ZINC001593667512 996057851 /nfs/dbraw/zinc/05/78/51/996057851.db2.gz GEVGSGQZIKGDMK-QFYYESIMSA-N -2 0 337.397 2.189 20 0 EEADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001593865084 996670687 /nfs/dbraw/zinc/67/06/87/996670687.db2.gz MVRJUFSECDWAQW-INIZCTEOSA-N -2 0 337.397 2.444 20 0 EEADRL COCc1nc(NC(=O)c2c([O-])cc(F)cc2F)sc1C(=O)[O-] ZINC001599302868 997261567 /nfs/dbraw/zinc/26/15/67/997261567.db2.gz MSKHRSCRRONINS-UHFFFAOYSA-N -2 0 344.295 2.224 20 0 EEADRL CO[C@@H]1CCC[C@@H]([C@@H](NC(=O)c2c([O-])cc(F)cc2F)C(=O)[O-])C1 ZINC001599109305 997537219 /nfs/dbraw/zinc/53/72/19/997537219.db2.gz QITDNZNWZMEUTP-PJCOJXEDSA-N -2 0 343.326 2.059 20 0 EEADRL COc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)C[C@@H](CC(C)C)OC ZINC001599377784 998516246 /nfs/dbraw/zinc/51/62/46/998516246.db2.gz NVACQVNBBJEFKN-GFCCVEGCSA-N -2 0 345.417 2.196 20 0 EEADRL CC[C@H](C)[C@H](C)N(C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1)C1CC1 ZINC000155896283 206041667 /nfs/dbraw/zinc/04/16/67/206041667.db2.gz UZAIYLLGRFQFEY-ONGXEEELSA-N -2 0 344.415 2.371 20 0 EEADRL COc1ccc(O)c([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000345689787 161323189 /nfs/dbraw/zinc/32/31/89/161323189.db2.gz JPYMISIYARSNEK-UHFFFAOYSA-N -2 0 343.382 2.270 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)cnn1C ZINC000358883495 164007972 /nfs/dbraw/zinc/00/79/72/164007972.db2.gz DAQGMUIZBHOTQZ-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C2CC2)n(C)n1 ZINC000290458825 275209406 /nfs/dbraw/zinc/20/94/06/275209406.db2.gz FEBAGGGDMKZEJB-UHFFFAOYSA-N -2 0 335.385 2.105 20 0 EEADRL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000318122841 311592706 /nfs/dbraw/zinc/59/27/06/311592706.db2.gz RGXFPKYQTPEYDJ-SMDDNHRTSA-N -2 0 333.356 2.277 20 0 EEADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1O ZINC000433801941 314795677 /nfs/dbraw/zinc/79/56/77/314795677.db2.gz GIIWAPZHALLWKU-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL CCn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC000231657523 464207182 /nfs/dbraw/zinc/20/71/82/464207182.db2.gz BYJYCFPDHRFKAR-UHFFFAOYSA-N -2 0 329.765 2.055 20 0 EEADRL COc1cccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1O ZINC000351749499 465338057 /nfs/dbraw/zinc/33/80/57/465338057.db2.gz VOKNTEUCCLKKRK-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(C)nn(C)c1C ZINC000133535011 462942594 /nfs/dbraw/zinc/94/25/94/462942594.db2.gz WUAVVWSNQLFAHM-UHFFFAOYSA-N -2 0 337.401 2.098 20 0 EEADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2c[nH]c(=O)c(C)c2)c1 ZINC000535990019 468338846 /nfs/dbraw/zinc/33/88/46/468338846.db2.gz NYZBGVRLABPGQV-UHFFFAOYSA-N -2 0 340.332 2.042 20 0 EEADRL CC(C)SCCNS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000286969590 463757854 /nfs/dbraw/zinc/75/78/54/463757854.db2.gz SKNPZRKNSZPSBK-UHFFFAOYSA-N -2 0 339.385 2.083 20 0 EEADRL C[C@@H]([C@H](NS(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-])C1CC1 ZINC000554676757 468436651 /nfs/dbraw/zinc/43/66/51/468436651.db2.gz KISWJCGYQYNBQO-KRTXAFLBSA-N -2 0 335.784 2.257 20 0 EEADRL COc1ccsc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000348477007 465625989 /nfs/dbraw/zinc/62/59/89/465625989.db2.gz POKWEDOWIBJUCQ-UHFFFAOYSA-N -2 0 331.346 2.395 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)cnn1C ZINC000362432214 465732569 /nfs/dbraw/zinc/73/25/69/465732569.db2.gz YICMWSQLWSPCHP-UHFFFAOYSA-N -2 0 349.412 2.106 20 0 EEADRL CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cn1 ZINC000340333230 465998609 /nfs/dbraw/zinc/99/86/09/465998609.db2.gz QIABQWPTKUTGEK-UHFFFAOYSA-N -2 0 336.369 2.368 20 0 EEADRL COC(=O)c1sccc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000314222137 466547411 /nfs/dbraw/zinc/54/74/11/466547411.db2.gz DYZFKKBHGFTIHN-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL Cc1nc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C(=O)[O-])c[nH]1 ZINC000320737710 466613755 /nfs/dbraw/zinc/61/37/55/466613755.db2.gz AELFRAISMBCGNU-UHFFFAOYSA-N -2 0 349.290 2.236 20 0 EEADRL CC[C@@H](c1n[n-]c(=NC(=O)NC[C@@H](C)C(=O)[O-])s1)c1ccccc1 ZINC000653538646 471656776 /nfs/dbraw/zinc/65/67/76/471656776.db2.gz BUWCYBCBLJDTGO-ZYHUDNBSSA-N -2 0 348.428 2.344 20 0 EEADRL COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000738135386 578000606 /nfs/dbraw/zinc/00/06/06/578000606.db2.gz CVMMVHMNZYRWLX-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL Cc1oncc1[N-]S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000768285971 577553251 /nfs/dbraw/zinc/55/32/51/577553251.db2.gz PQTYKDXZWKWGBV-UHFFFAOYSA-N -2 0 334.712 2.275 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)/C=C/C2CCCCC2)c1 ZINC000739211409 578044110 /nfs/dbraw/zinc/04/41/10/578044110.db2.gz YNOQUDFYTYYWSC-MDZDMXLPSA-N -2 0 337.397 2.326 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)CC2=CCCCC2)s1 ZINC000739218388 578044364 /nfs/dbraw/zinc/04/43/64/578044364.db2.gz KHRQLLQGMACANC-UHFFFAOYSA-N -2 0 329.399 2.142 20 0 EEADRL O=C([O-])Nc1cccc(C(=O)[N-]S(=O)(=O)c2ccccc2F)c1 ZINC000740033778 578078118 /nfs/dbraw/zinc/07/81/18/578078118.db2.gz NIKXLBOFAUXOIV-UHFFFAOYSA-N -2 0 338.316 2.034 20 0 EEADRL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1ccsc1 ZINC000736213798 578187727 /nfs/dbraw/zinc/18/77/27/578187727.db2.gz BZQDJZRNKLACBU-ZETCQYMHSA-N -2 0 345.423 2.116 20 0 EEADRL CC(C)(C)n1cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])cn1 ZINC000736306293 578193878 /nfs/dbraw/zinc/19/38/78/578193878.db2.gz PRAFABDZVRDQTN-UHFFFAOYSA-N -2 0 341.364 2.276 20 0 EEADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000736964016 578231507 /nfs/dbraw/zinc/23/15/07/578231507.db2.gz BYHHWZYPZRVBHB-GFCCVEGCSA-N -2 0 341.429 2.200 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cc1C(=O)[O-] ZINC000324168547 600829223 /nfs/dbraw/zinc/82/92/23/600829223.db2.gz DXPGHSCBNDFABQ-UHFFFAOYSA-N -2 0 349.412 2.124 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)cc1C(=O)[O-] ZINC000833030368 601232264 /nfs/dbraw/zinc/23/22/64/601232264.db2.gz UJZRNRKISVJXMV-UHFFFAOYSA-N -2 0 347.352 2.477 20 0 EEADRL O=C([O-])c1c(F)ccc(S(=O)(=O)NCC(C2CC2)C2CC2)c1F ZINC000321688482 601238792 /nfs/dbraw/zinc/23/87/92/601238792.db2.gz REZVENWMRIGFSK-UHFFFAOYSA-N -2 0 345.367 2.378 20 0 EEADRL CC(C)c1nc(S(=O)(=O)[N-]c2ccc(N(C)C(=O)[O-])cc2)c[nH]1 ZINC000827153498 601326014 /nfs/dbraw/zinc/32/60/14/601326014.db2.gz RFJTYPFTOZEHJB-UHFFFAOYSA-N -2 0 338.389 2.448 20 0 EEADRL CCCc1nnc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])s1 ZINC000829574020 601503244 /nfs/dbraw/zinc/50/32/44/601503244.db2.gz NPQTVRGMMOVHFT-UHFFFAOYSA-N -2 0 341.414 2.298 20 0 EEADRL O=C([O-])Cc1csc([N-]S(=O)(=O)c2cc3ccccc3o2)n1 ZINC000833268892 601558082 /nfs/dbraw/zinc/55/80/82/601558082.db2.gz HUJDKZALGVBAEQ-UHFFFAOYSA-N -2 0 338.366 2.317 20 0 EEADRL Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1cc(C(=O)[O-])n(C)c1 ZINC000832960218 601784877 /nfs/dbraw/zinc/78/48/77/601784877.db2.gz OVMVSGBSSKIUML-UHFFFAOYSA-N -2 0 345.380 2.381 20 0 EEADRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000832373954 601830301 /nfs/dbraw/zinc/83/03/01/601830301.db2.gz OXVLLDPWZDAKNW-UHFFFAOYSA-N -2 0 348.789 2.304 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c(C)n1 ZINC000832419342 601851897 /nfs/dbraw/zinc/85/18/97/601851897.db2.gz IFFUAQDRKQQFTN-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)cc1OC ZINC000832468674 602115654 /nfs/dbraw/zinc/11/56/54/602115654.db2.gz MMGDXIYMZNEKPJ-UHFFFAOYSA-N -2 0 343.382 2.264 20 0 EEADRL COCCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)cc1 ZINC000831795720 602117803 /nfs/dbraw/zinc/11/78/03/602117803.db2.gz HCDNUJQUXCKCGA-UHFFFAOYSA-N -2 0 341.410 2.436 20 0 EEADRL O=C([O-])c1csc([N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC000833343652 602118447 /nfs/dbraw/zinc/11/84/47/602118447.db2.gz LBIQCZAHULORFE-UHFFFAOYSA-N -2 0 341.395 2.252 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(CC(C)C)[nH]n1 ZINC000832868497 602212481 /nfs/dbraw/zinc/21/24/81/602212481.db2.gz NIHKFUQKZZAWIS-UHFFFAOYSA-N -2 0 337.401 2.416 20 0 EEADRL Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1F ZINC000832963580 602242259 /nfs/dbraw/zinc/24/22/59/602242259.db2.gz ZDQHUAMTWGBOPN-UHFFFAOYSA-N -2 0 343.357 2.013 20 0 EEADRL CC(C)(C)c1nc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)no1 ZINC000833450876 605170611 /nfs/dbraw/zinc/17/06/11/605170611.db2.gz OCMLXKNTRTZNSJ-UHFFFAOYSA-N -2 0 343.336 2.005 20 0 EEADRL O=C(Nc1n[nH]c(-c2ccco2)n1)c1cnc(-c2ncccn2)s1 ZINC000129994343 1191400783 /nfs/dbraw/zinc/40/07/83/1191400783.db2.gz JZQMGCHSKYYOTD-UHFFFAOYSA-N -2 0 339.340 2.231 20 0 EEADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000779839575 1211431812 /nfs/dbraw/zinc/43/18/12/1211431812.db2.gz ROBLDCPGTNWEID-UHFFFAOYSA-N -2 0 349.412 2.281 20 0 EEADRL Cc1cc(F)ncc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192106817 1281800662 /nfs/dbraw/zinc/80/06/62/1281800662.db2.gz RFMGWHCIMPLMBZ-UHFFFAOYSA-N -2 0 338.360 2.347 20 0 EEADRL Cc1ncc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)s1 ZINC000443469057 1305966437 /nfs/dbraw/zinc/96/64/37/1305966437.db2.gz QUEINJPTNRVASV-UHFFFAOYSA-N -2 0 326.399 2.270 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc3c(c2)CS(=O)(=O)N3)c1 ZINC001242160628 1309622514 /nfs/dbraw/zinc/62/25/14/1309622514.db2.gz GEEQBGQCPCDERL-UHFFFAOYSA-N -2 0 333.321 2.005 20 0 EEADRL CCOC(=O)c1c(C)ncnc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242159415 1309622829 /nfs/dbraw/zinc/62/28/29/1309622829.db2.gz NWRUIBUJNPRAFZ-UHFFFAOYSA-N -2 0 330.296 2.025 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cnc(C(=O)OCC3CC3)cn2)c1 ZINC001242160553 1309623087 /nfs/dbraw/zinc/62/30/87/1309623087.db2.gz NWHCZDZODOIJTG-UHFFFAOYSA-N -2 0 342.307 2.107 20 0 EEADRL CC[C@H](C)n1c(=O)[nH]c(C)c(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1=O ZINC001242162930 1309624420 /nfs/dbraw/zinc/62/44/20/1309624420.db2.gz MYJGKTCFAQVOGA-QMMMGPOBSA-N -2 0 346.339 2.292 20 0 EEADRL O=P([O-])([O-])OCCNc1nc(C(F)F)nc2ccc(F)cc21 ZINC001157795615 1318866717 /nfs/dbraw/zinc/86/67/17/1318866717.db2.gz HPINASYVINHXEE-UHFFFAOYSA-N -2 0 337.194 2.228 20 0 EEADRL CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1ncc(F)cc1[O-])C(=O)C2 ZINC001258980184 1319402479 /nfs/dbraw/zinc/40/24/79/1319402479.db2.gz UYABSXKFMLPIRL-RFAUZJTJSA-N -2 0 342.392 2.063 20 0 EEADRL Cc1cc(C)cc(S(=O)(=O)Nc2cccc(S(=O)(=O)[O-])c2)c1 ZINC001259522765 1319609732 /nfs/dbraw/zinc/60/97/32/1319609732.db2.gz YFUMJPFCBJPHNJ-UHFFFAOYSA-N -2 0 341.410 2.351 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ncc3ccccc3n2)c1 ZINC001260183391 1319818583 /nfs/dbraw/zinc/81/85/83/1319818583.db2.gz ONCMKVNTXMBKJE-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL O=C([O-])c1cncc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)c1 ZINC001602543888 1350542634 /nfs/dbraw/zinc/54/26/34/1350542634.db2.gz YHXLCNCENSDIED-UHFFFAOYSA-N -2 0 345.336 2.236 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](C)CC(C)(C)C)oc1C(=O)[O-] ZINC001607702716 1351543009 /nfs/dbraw/zinc/54/30/09/1351543009.db2.gz CIZDLBLGQSBKGV-SECBINFHSA-N -2 0 331.390 2.163 20 0 EEADRL O=C([O-])C1CC2(C1)CN(c1cccc(C(F)(F)F)n1)C[C@@H]2C(=O)[O-] ZINC001608610768 1351725916 /nfs/dbraw/zinc/72/59/16/1351725916.db2.gz NDRLSUJSDGEHRZ-ZYTOWTHASA-N -2 0 344.289 2.102 20 0 EEADRL O=C([O-])C[C@H](Cc1ccccc1)NC(=O)c1cc(F)c([O-])c(F)c1 ZINC001608774253 1351760162 /nfs/dbraw/zinc/76/01/62/1351760162.db2.gz MXEDHWCBGKFDLM-LBPRGKRZSA-N -2 0 335.306 2.486 20 0 EEADRL O=C([O-])[C@]1(C(F)(F)F)CCN(C(=O)c2c([O-])cc(F)cc2F)C1 ZINC001609027532 1351818721 /nfs/dbraw/zinc/81/87/21/1351818721.db2.gz ZOFFZAHEVGGWON-LBPRGKRZSA-N -2 0 339.216 2.150 20 0 EEADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc(C2CCC2)c1 ZINC001609639101 1352047929 /nfs/dbraw/zinc/04/79/29/1352047929.db2.gz QWLQRXVQCUJKNO-MNOVXSKESA-N -2 0 339.413 2.123 20 0 EEADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)CC1CCC(C)(C)CC1 ZINC001609639066 1352048055 /nfs/dbraw/zinc/04/80/55/1352048055.db2.gz QEZYAZZLMQLRKE-GHMZBOCLSA-N -2 0 333.450 2.148 20 0 EEADRL CCC[C@@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001609958563 1352130415 /nfs/dbraw/zinc/13/04/15/1352130415.db2.gz BTFOSAZEIVWBON-GHMZBOCLSA-N -2 0 343.401 2.308 20 0 EEADRL CCc1[nH]c(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c(C)c1C(=O)[O-] ZINC001610053001 1352151044 /nfs/dbraw/zinc/15/10/44/1352151044.db2.gz OXWVJQDYEXYSET-DRZSPHRISA-N -2 0 348.399 2.442 20 0 EEADRL CCc1[nH]c(C(=O)Nc2ccccc2CC(=O)[O-])c(C)c1C(=O)[O-] ZINC001610057001 1352151504 /nfs/dbraw/zinc/15/15/04/1352151504.db2.gz QVIVJKZVFXHFSQ-UHFFFAOYSA-N -2 0 330.340 2.463 20 0 EEADRL COc1ccc(O)c([N-]S(=O)(=O)CC2(C(=O)[O-])CCCCC2)c1 ZINC001610344215 1352208625 /nfs/dbraw/zinc/20/86/25/1352208625.db2.gz IITKCQLUQQPENH-UHFFFAOYSA-N -2 0 343.401 2.178 20 0 EEADRL CSCc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001610384037 1352214115 /nfs/dbraw/zinc/21/41/15/1352214115.db2.gz LAXONKSNOSXZCC-UHFFFAOYSA-N -2 0 338.410 2.444 20 0 EEADRL Cc1cccnc1[N-]S(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC001610535204 1352240641 /nfs/dbraw/zinc/24/06/41/1352240641.db2.gz VYLOQZPXTHJQHO-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2nnc(C(C)(C)C)s2)cc1C(=O)[O-] ZINC001610587171 1352250005 /nfs/dbraw/zinc/25/00/05/1352250005.db2.gz GEGKDYGNABLFQY-UHFFFAOYSA-N -2 0 345.402 2.236 20 0 EEADRL O=C([O-])CCCO[N-]C(=O)C(=O)Nc1ccccc1-c1ccccc1 ZINC001610770459 1352271858 /nfs/dbraw/zinc/27/18/58/1352271858.db2.gz AUQHPUXWKJTSAI-UHFFFAOYSA-N -2 0 342.351 2.205 20 0 EEADRL O=C([O-])Cc1cccc(C(=O)[N-]S(=O)(=O)/C=C\c2ccccc2)c1 ZINC001610793732 1352275653 /nfs/dbraw/zinc/27/56/53/1352275653.db2.gz DRBAANWVJJVBGV-KTKRTIGZSA-N -2 0 345.376 2.044 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nnc(C3CCCCC3)o2)o1 ZINC001610839835 1352283286 /nfs/dbraw/zinc/28/32/86/1352283286.db2.gz CTSJONSDOHALGJ-UHFFFAOYSA-N -2 0 341.345 2.209 20 0 EEADRL CC(C)C[C@H](CNC(=O)c1nn(-c2cccc(F)c2)cc1[O-])C(=O)[O-] ZINC001591160260 1349444054 /nfs/dbraw/zinc/44/40/54/1349444054.db2.gz OZRYBDBZFJHKJS-LLVKDONJSA-N -2 0 349.362 2.194 20 0 EEADRL Cc1cc(C(C)(C)C)ccc1OS(=O)(=O)c1cc(C(=O)[O-])n[n-]1 ZINC001600139621 1349978688 /nfs/dbraw/zinc/97/86/88/1349978688.db2.gz GZNWUCQZCPJACF-UHFFFAOYSA-N -2 0 338.385 2.482 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccnc(Cl)c1C ZINC001600837277 1350148007 /nfs/dbraw/zinc/14/80/07/1350148007.db2.gz QIWBQHJHKQQTBH-UHFFFAOYSA-N -2 0 330.749 2.444 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)c1ccc(C2CC2)cc1 ZINC001600836743 1350148105 /nfs/dbraw/zinc/14/81/05/1350148105.db2.gz PRAFMHPFLQETSN-UHFFFAOYSA-N -2 0 349.364 2.282 20 0 EEADRL O=C([O-])c1ncoc1CCC(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC001601297033 1350251310 /nfs/dbraw/zinc/25/13/10/1350251310.db2.gz RQEVAKGOOSAPCE-UHFFFAOYSA-N -2 0 328.683 2.442 20 0 EEADRL O=C([O-])[C@@H](C[C@H]1CCCO1)NC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001601408175 1350277354 /nfs/dbraw/zinc/27/73/54/1350277354.db2.gz BZLKUTIYIQVIHI-LDYMZIIASA-N -2 0 347.289 2.163 20 0 EEADRL O=C([O-])C1CC2(C1)C[C@H](NC(=O)c1ccc(F)cc1[O-])CCS2 ZINC001601445273 1350285275 /nfs/dbraw/zinc/28/52/75/1350285275.db2.gz GQXPSYNJZIYVOB-JRKQCGKRSA-N -2 0 339.388 2.390 20 0 EEADRL O=C([O-])[C@@H]1CSCCN1C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001601858085 1350382488 /nfs/dbraw/zinc/38/24/88/1350382488.db2.gz ORYWYDMOBJFAAF-VIFPVBQESA-N -2 0 335.303 2.053 20 0 EEADRL O=C([O-])c1ccccc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001602297739 1350487582 /nfs/dbraw/zinc/48/75/82/1350487582.db2.gz MWXRZPSRTYFOHL-UHFFFAOYSA-N -2 0 339.300 2.023 20 0 EEADRL O=C([O-])c1ccc(/C=C/C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)o1 ZINC001602331431 1350496001 /nfs/dbraw/zinc/49/60/01/1350496001.db2.gz CEWUIQZYNHUQFV-MPKCRMRCSA-N -2 0 347.367 2.483 20 0 EEADRL O=C([O-])c1cccc2c1CN(C(=O)NC1CCC(C(=O)[O-])CC1)CC2 ZINC001602458550 1350523796 /nfs/dbraw/zinc/52/37/96/1350523796.db2.gz QBQHQZREMSDKPY-UHFFFAOYSA-N -2 0 346.383 2.096 20 0 EEADRL O=C([O-])c1ccccc1NS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001602473134 1350527359 /nfs/dbraw/zinc/52/73/59/1350527359.db2.gz VCRFHTQXUGQYHG-UHFFFAOYSA-N -2 0 339.300 2.023 20 0 EEADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2nc3cc(F)ccc3[nH]2)c1 ZINC001602564995 1350548000 /nfs/dbraw/zinc/54/80/00/1350548000.db2.gz VQBXAMMYDKSSRA-UHFFFAOYSA-N -2 0 341.345 2.263 20 0 EEADRL CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@H](C(=O)[O-])C2CCCC2)C1 ZINC001603249555 1350671345 /nfs/dbraw/zinc/67/13/45/1350671345.db2.gz BEEUXFVKHPJJEM-QWHCGFSZSA-N -2 0 325.405 2.227 20 0 EEADRL CC(C)[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001603752757 1350757615 /nfs/dbraw/zinc/75/76/15/1350757615.db2.gz QBZUEDPMORAWOP-DTWKUNHWSA-N -2 0 345.804 2.135 20 0 EEADRL CC(C)c1cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)n[nH]1 ZINC001603993671 1350823957 /nfs/dbraw/zinc/82/39/57/1350823957.db2.gz NWFIRKHSXWECIK-UHFFFAOYSA-N -2 0 327.337 2.171 20 0 EEADRL C[C@](NC(=O)c1cccc(Br)c1[O-])(C(=O)[O-])C1CC1 ZINC001604315622 1350913761 /nfs/dbraw/zinc/91/37/61/1350913761.db2.gz ZHPCZUKLIHKXNU-CYBMUJFWSA-N -2 0 328.162 2.138 20 0 EEADRL C[C@@H]1C(=O)Nc2cccc(C(=O)[O-])c2N1C(=O)c1cccc(F)c1[O-] ZINC001604625329 1350972227 /nfs/dbraw/zinc/97/22/27/1350972227.db2.gz XJDVSPFMYZEPTH-MRVPVSSYSA-N -2 0 344.298 2.217 20 0 EEADRL Cc1cccc(C[C@@H](CNC(=O)[C@H](C(=O)[O-])C2CCCC2)C(=O)[O-])c1 ZINC001607847065 1351570328 /nfs/dbraw/zinc/57/03/28/1351570328.db2.gz OZVZMQNDUFOYMQ-JKSUJKDBSA-N -2 0 347.411 2.246 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2ccc(Cl)nc2C)cc1C(=O)[O-] ZINC001607960299 1351593261 /nfs/dbraw/zinc/59/32/61/1351593261.db2.gz AJSBSKAEQWLDJM-UHFFFAOYSA-N -2 0 330.749 2.444 20 0 EEADRL Cc1noc(C)c1[N-]S(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC001608023194 1351608632 /nfs/dbraw/zinc/60/86/32/1351608632.db2.gz CONVIDVQVGCMSC-UHFFFAOYSA-N -2 0 347.352 2.339 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc(C(C)(C)C)co1 ZINC001608041668 1351612525 /nfs/dbraw/zinc/61/25/25/1351612525.db2.gz CWFLLOWOTXXESC-UHFFFAOYSA-N -2 0 328.346 2.373 20 0 EEADRL O=C([O-])[C@@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)c1ccc(O)cc1 ZINC001608385481 1351683086 /nfs/dbraw/zinc/68/30/86/1351683086.db2.gz DLLHXZVRTWYWRZ-ZDUSSCGKSA-N -2 0 344.348 2.378 20 0 EEADRL O=C([O-])c1cc(NC(=O)NCC2(C(=O)[O-])CCC2)c(F)cc1F ZINC001608426297 1351692745 /nfs/dbraw/zinc/69/27/45/1351692745.db2.gz VQHCLUZAOAEIBQ-UHFFFAOYSA-N -2 0 328.271 2.039 20 0 EEADRL CC(C)(C)CCS(=O)(=O)Nc1cc(C(=O)[O-])ccc1C(=O)[O-] ZINC001649931200 1353653811 /nfs/dbraw/zinc/65/38/11/1353653811.db2.gz YKEYTWHEYAEWQU-UHFFFAOYSA-N -2 0 329.374 2.261 20 0 EEADRL Cc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cn1 ZINC001193964084 1368483737 /nfs/dbraw/zinc/48/37/37/1368483737.db2.gz APGXEFYWBLKKGA-UHFFFAOYSA-N -2 0 345.739 2.077 20 0 EEADRL O=P([O-])([O-])OCCNc1ccc(-c2ccc(Cl)nn2)s1 ZINC001168589315 790630860 /nfs/dbraw/zinc/63/08/60/790630860.db2.gz GIRBEFUEWKQAOQ-UHFFFAOYSA-N -2 0 335.709 2.380 20 0 EEADRL O=C([O-])[C@@H]1CN(C(=O)c2cc(F)c([O-])c(Cl)c2)C[C@H]1C1CC1 ZINC000909904976 786336017 /nfs/dbraw/zinc/33/60/17/786336017.db2.gz FZYTVWBMYUJTPP-VHSXEESVSA-N -2 0 327.739 2.368 20 0 EEADRL O=C([O-])[C@@H]1CO[C@H](CCC(=O)Nc2cc(Cl)c([O-])cc2F)C1 ZINC000911422422 787457449 /nfs/dbraw/zinc/45/74/49/787457449.db2.gz XPGBUPQCDJRSGA-JGVFFNPUSA-N -2 0 331.727 2.393 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc3ncccc32)nc1 ZINC000322570506 970904009 /nfs/dbraw/zinc/90/40/09/970904009.db2.gz PWCIDKRRNSEHLY-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL O=C([O-])c1cccc(CNS(=O)(=O)c2cccc(Cl)c2[O-])c1 ZINC001595244796 949506704 /nfs/dbraw/zinc/50/67/04/949506704.db2.gz PITVHXUDYQZBHS-UHFFFAOYSA-N -2 0 341.772 2.222 20 0 EEADRL CC(C)(CCNC(=O)c1cccc(Br)c1[O-])C(=O)[O-] ZINC001602943428 971912197 /nfs/dbraw/zinc/91/21/97/971912197.db2.gz IVLGUOWWPLNCEI-UHFFFAOYSA-N -2 0 330.178 2.385 20 0 EEADRL COc1ccc(OC)c([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001198773051 960584511 /nfs/dbraw/zinc/58/45/11/960584511.db2.gz QDKRCCKODXSSEF-UHFFFAOYSA-N -2 0 337.353 2.203 20 0 EEADRL Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccsc1C(=O)[O-] ZINC000314239681 963729235 /nfs/dbraw/zinc/72/92/35/963729235.db2.gz PBJQRZLIIHKVGN-UHFFFAOYSA-N -2 0 342.354 2.464 20 0 EEADRL Cc1cc(C)nc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)n1 ZINC000319740118 970566875 /nfs/dbraw/zinc/56/68/75/970566875.db2.gz XTLDZBWQCUDCIY-UHFFFAOYSA-N -2 0 339.348 2.040 20 0 EEADRL O=C([O-])[C@H]1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)c2ccccc21 ZINC001606008380 973104793 /nfs/dbraw/zinc/10/47/93/973104793.db2.gz UZIYLDTXZRIJAU-JTQLQIEISA-N -2 0 339.307 2.147 20 0 EEADRL COCCN(CCC(=O)[O-])C(=O)c1c([O-])cc(Cl)cc1Cl ZINC001604600873 973709595 /nfs/dbraw/zinc/70/95/95/973709595.db2.gz ZGVAVRXHBVEMJX-UHFFFAOYSA-N -2 0 336.171 2.262 20 0 EEADRL CC(C)n1cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)cn1 ZINC001592131291 976964233 /nfs/dbraw/zinc/96/42/33/976964233.db2.gz GWFIMARJPNVMOO-UHFFFAOYSA-N -2 0 345.327 2.241 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cccc3c2CCO3)c1 ZINC000794608513 978814154 /nfs/dbraw/zinc/81/41/54/978814154.db2.gz JHACAAOQWPDRLN-UHFFFAOYSA-N -2 0 337.328 2.260 20 0 EEADRL CCC(CC)([N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(=O)[O-] ZINC001595101459 979407823 /nfs/dbraw/zinc/40/78/23/979407823.db2.gz NWDWAAUIFNWHLC-UHFFFAOYSA-N -2 0 343.298 2.165 20 0 EEADRL CCC[C@@](C)(CC)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001595541916 981402029 /nfs/dbraw/zinc/40/20/29/981402029.db2.gz QPZQYLOTRGFZOB-CQSZACIVSA-N -2 0 331.390 2.308 20 0 EEADRL CC[C@@H](C)CCC(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001594957814 982693057 /nfs/dbraw/zinc/69/30/57/982693057.db2.gz NMRJYGQGKPDBAD-MRVPVSSYSA-N -2 0 349.355 2.294 20 0 EEADRL CCN(C(=O)Cc1cc(=O)n(CC(C)C)[n-]1)c1ccccc1C(=O)[O-] ZINC001596142639 983494341 /nfs/dbraw/zinc/49/43/41/983494341.db2.gz ANAWQEHIAFOHAP-UHFFFAOYSA-N -2 0 345.399 2.126 20 0 EEADRL CC(C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)=C1CCCC1 ZINC001589423360 986676928 /nfs/dbraw/zinc/67/69/28/986676928.db2.gz MGNPPMYQUBQEPB-UHFFFAOYSA-N -2 0 337.397 2.221 20 0 EEADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CC(C1CCC1)C1CCC1 ZINC001589455107 986890063 /nfs/dbraw/zinc/89/00/63/986890063.db2.gz ZQILXRJOQYALIP-QWRGUYRKSA-N -2 0 345.461 2.148 20 0 EEADRL CCc1cc(=O)[nH]c(SCC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)n1 ZINC001597421153 987738058 /nfs/dbraw/zinc/73/80/58/987738058.db2.gz GYMWPJCDFCDGII-UHFFFAOYSA-N -2 0 335.385 2.363 20 0 EEADRL CCc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)s1 ZINC001597632404 988604378 /nfs/dbraw/zinc/60/43/78/988604378.db2.gz VHDRYBZRPHZWHV-UHFFFAOYSA-N -2 0 336.778 2.451 20 0 EEADRL CCc1nccc(C)c1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001597702631 988930844 /nfs/dbraw/zinc/93/08/44/988930844.db2.gz BRVINPWQYYUYFY-UHFFFAOYSA-N -2 0 334.397 2.380 20 0 EEADRL C[C@@H]1CN(C(=O)c2c([O-])cc(Cl)cc2Cl)C[C@@H](C(=O)[O-])O1 ZINC001599862225 989187679 /nfs/dbraw/zinc/18/76/79/989187679.db2.gz YGGOJHVJMGLPGH-LDWIPMOCSA-N -2 0 334.155 2.013 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccnn1C(C)C ZINC001597792094 989329648 /nfs/dbraw/zinc/32/96/48/989329648.db2.gz XFVCUENCPNWCDR-UHFFFAOYSA-N -2 0 327.362 2.118 20 0 EEADRL C[C@H]1CCC[C@]1(C)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001594356865 999349009 /nfs/dbraw/zinc/34/90/09/999349009.db2.gz FQXZKVPMNYHHBM-BONVTDFDSA-N -2 0 325.386 2.016 20 0 EEADRL O=C([O-])CCCONC(=O)Cc1ccc(F)cc1Br ZINC001601995342 1118771558 /nfs/dbraw/zinc/77/15/58/1118771558.db2.gz QFDCAZHZNJEZFM-UHFFFAOYSA-N -2 0 334.141 2.043 20 0 EEADRL COC(=O)c1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)s1 ZINC001610215307 1121423339 /nfs/dbraw/zinc/42/33/39/1121423339.db2.gz AAMKRPHHGMHFBI-UHFFFAOYSA-N -2 0 347.395 2.095 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2cccc(F)c2C)cc1C(=O)[O-] ZINC000336851074 539806514 /nfs/dbraw/zinc/80/65/14/539806514.db2.gz DMIJNRSEUSCCJW-UHFFFAOYSA-N -2 0 326.349 2.455 20 0 EEADRL Cc1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000438722606 242046488 /nfs/dbraw/zinc/04/64/88/242046488.db2.gz IBQMPCGQLWCNHY-UHFFFAOYSA-N -2 0 341.366 2.254 20 0 EEADRL CC(C)Cc1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cn1 ZINC000355880604 153185437 /nfs/dbraw/zinc/18/54/37/153185437.db2.gz MBKFCDPYBGMMMI-UHFFFAOYSA-N -2 0 335.385 2.174 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3O)c1 ZINC000368654110 166098636 /nfs/dbraw/zinc/09/86/36/166098636.db2.gz WBCWTOXNCQNGBU-CQSZACIVSA-N -2 0 349.364 2.002 20 0 EEADRL Cn1nc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1C1CC1 ZINC000290567082 275218810 /nfs/dbraw/zinc/21/88/10/275218810.db2.gz SRQIGZOUGUYATR-UHFFFAOYSA-N -2 0 349.412 2.116 20 0 EEADRL COCc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c1 ZINC000436997165 315021458 /nfs/dbraw/zinc/02/14/58/315021458.db2.gz VUUMJFVMXCYYFE-UHFFFAOYSA-N -2 0 337.353 2.038 20 0 EEADRL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000577283921 320247042 /nfs/dbraw/zinc/24/70/42/320247042.db2.gz AFQIVEBKIJJEAB-MRVPVSSYSA-N -2 0 343.298 2.021 20 0 EEADRL CC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1O ZINC000577964753 320286626 /nfs/dbraw/zinc/28/66/26/320286626.db2.gz PDZQJKQLOJPGBN-UHFFFAOYSA-N -2 0 335.337 2.094 20 0 EEADRL Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000181784738 323356250 /nfs/dbraw/zinc/35/62/50/323356250.db2.gz LNUONMVPUWBIHL-UHFFFAOYSA-N -2 0 346.368 2.008 20 0 EEADRL Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000126904795 463669654 /nfs/dbraw/zinc/66/96/54/463669654.db2.gz ORVBGPHUEXBEHI-UHFFFAOYSA-N -2 0 326.330 2.261 20 0 EEADRL O=C([O-])[C@@H](NS(=O)(=O)c1ccoc1)c1ccc(Cl)c(F)c1 ZINC000551999304 468293105 /nfs/dbraw/zinc/29/31/05/468293105.db2.gz UMQTXZBRAQRKFD-NSHDSACASA-N -2 0 333.724 2.176 20 0 EEADRL Cc1nc(C)c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)s1 ZINC000088545679 462635980 /nfs/dbraw/zinc/63/59/80/462635980.db2.gz IZCRHTBHZXIMAU-UHFFFAOYSA-N -2 0 326.399 2.188 20 0 EEADRL CC(C)(C)c1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cn1 ZINC000063850098 462676986 /nfs/dbraw/zinc/67/69/86/462676986.db2.gz AMSZOSQHELFDDQ-UHFFFAOYSA-N -2 0 335.385 2.273 20 0 EEADRL CCC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000263464907 464109449 /nfs/dbraw/zinc/10/94/49/464109449.db2.gz FVSNHNHAUROGST-MRVPVSSYSA-N -2 0 327.736 2.150 20 0 EEADRL C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cn1 ZINC000357111109 465782306 /nfs/dbraw/zinc/78/23/06/465782306.db2.gz ZGNFEJBWXSDNLO-NSHDSACASA-N -2 0 349.412 2.282 20 0 EEADRL COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000357342895 465964522 /nfs/dbraw/zinc/96/45/22/465964522.db2.gz MDWXKDHADVOJRJ-UHFFFAOYSA-N -2 0 347.295 2.374 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2ccccc2F)c(C(=O)[O-])c1 ZINC000316480088 466572132 /nfs/dbraw/zinc/57/21/32/466572132.db2.gz MOCRBSHMERDRJA-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)cc1C(=O)[O-] ZINC000320872123 466615513 /nfs/dbraw/zinc/61/55/13/466615513.db2.gz RYISYHXHQMXVLL-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000322299394 466631267 /nfs/dbraw/zinc/63/12/67/466631267.db2.gz ZNAFLJBKXYVFSE-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c1 ZINC000427287566 467149034 /nfs/dbraw/zinc/14/90/34/467149034.db2.gz GYIQDEYWQTZJHH-UHFFFAOYSA-N -2 0 341.364 2.177 20 0 EEADRL CC(C)n1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cn1 ZINC000387589848 467393859 /nfs/dbraw/zinc/39/38/59/467393859.db2.gz FPHDKKZDMKOJQT-UHFFFAOYSA-N -2 0 327.337 2.102 20 0 EEADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2cncc3ccccc32)c1 ZINC000550943245 468227503 /nfs/dbraw/zinc/22/75/03/468227503.db2.gz VNHJSCZWEKBBLM-UHFFFAOYSA-N -2 0 344.348 2.439 20 0 EEADRL CC(C)O[C@@]1(CS(=O)(=O)[N-]c2cccc(Cl)c2[O-])CCOC1 ZINC000634789349 470312671 /nfs/dbraw/zinc/31/26/71/470312671.db2.gz JWSCSHCGOFJKQO-AWEZNQCLSA-N -2 0 349.836 2.371 20 0 EEADRL Cc1cc(C)cc(-c2n[n-]c(=NC(=O)NC[C@H](C)C(=O)[O-])s2)c1 ZINC000653542497 471659062 /nfs/dbraw/zinc/65/90/62/471659062.db2.gz SGDBOVUNGQOAQK-JTQLQIEISA-N -2 0 334.401 2.086 20 0 EEADRL CC[C@H](Cc1ccc(F)cc1)NS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000656718000 471819248 /nfs/dbraw/zinc/81/92/48/471819248.db2.gz MYSCIPSYXBHHKV-GFCCVEGCSA-N -2 0 341.360 2.417 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)n(-c2ccccc2)n1 ZINC000738463719 578016123 /nfs/dbraw/zinc/01/61/23/578016123.db2.gz RGPQRRLUOJLVAW-UHFFFAOYSA-N -2 0 347.352 2.273 20 0 EEADRL Cc1cc(C)c([N-]S(=O)(=O)c2cn(C)c(Cl)n2)c(C(=O)[O-])c1 ZINC000759706415 577648171 /nfs/dbraw/zinc/64/81/71/577648171.db2.gz NTMSMMJXOHPCSE-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL Cc1ccnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000738798681 578027152 /nfs/dbraw/zinc/02/71/52/578027152.db2.gz UIOALQGLAAKHSY-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL O=C([O-])CC[C@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000739659215 578062931 /nfs/dbraw/zinc/06/29/31/578062931.db2.gz LCBZUYVGBTTYEJ-ILXRZTDVSA-N -2 0 331.368 2.376 20 0 EEADRL O=C([O-])NCc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2)cc1 ZINC000740002607 578076922 /nfs/dbraw/zinc/07/69/22/578076922.db2.gz XIYFFFZIZQEFRY-UHFFFAOYSA-N -2 0 341.776 2.303 20 0 EEADRL O=C([O-])Nc1cccc(C(=O)[N-]S(=O)(=O)CCc2ccccc2)c1 ZINC000740034656 578078105 /nfs/dbraw/zinc/07/81/05/578078105.db2.gz YYIYMBMRCZKMKN-UHFFFAOYSA-N -2 0 348.380 2.079 20 0 EEADRL O=C([O-])c1ccc2c(c1)CN(C(=O)c1n[n-]c3ccccc3c1=O)C2 ZINC000740201040 578085452 /nfs/dbraw/zinc/08/54/52/578085452.db2.gz RZBAGXKQXLDNGA-UHFFFAOYSA-N -2 0 335.319 2.190 20 0 EEADRL Cc1cccc([N-]S(=O)(=O)c2cccc3c2COC3=O)c1C(=O)[O-] ZINC000735029370 578131284 /nfs/dbraw/zinc/13/12/84/578131284.db2.gz UEUHVUXDFDNSKE-UHFFFAOYSA-N -2 0 347.348 2.164 20 0 EEADRL CC(C)[C@@H](CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1ccccc1 ZINC000736350859 578198223 /nfs/dbraw/zinc/19/82/23/578198223.db2.gz AXNCQXVMPYNXGL-CQSZACIVSA-N -2 0 341.429 2.127 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)sc1C(=O)[O-] ZINC000314100706 599874984 /nfs/dbraw/zinc/87/49/84/599874984.db2.gz ZKEMKRVYAYVINI-UHFFFAOYSA-N -2 0 342.354 2.464 20 0 EEADRL CSc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cn1 ZINC000832786220 600979172 /nfs/dbraw/zinc/97/91/72/600979172.db2.gz YVEDYFCQUDMNTB-UHFFFAOYSA-N -2 0 330.412 2.364 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nc3ccsc3s2)c[nH]1 ZINC000833306158 600982924 /nfs/dbraw/zinc/98/29/24/600982924.db2.gz HZRVNDMVUBEITO-UHFFFAOYSA-N -2 0 329.384 2.185 20 0 EEADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2n[nH]c3ccc(F)cc32)c1 ZINC000833344277 601202257 /nfs/dbraw/zinc/20/22/57/601202257.db2.gz JQJLPMPDRHKULC-UHFFFAOYSA-N -2 0 341.345 2.263 20 0 EEADRL CCC(CC)(CC(=O)[O-])NC(=O)CSc1n[n-]c(=S)s1 ZINC000828784909 601306974 /nfs/dbraw/zinc/30/69/74/601306974.db2.gz PVFWERPOVKUXMG-UHFFFAOYSA-N -2 0 335.476 2.069 20 0 EEADRL CCOc1cccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n1 ZINC000830104687 601362235 /nfs/dbraw/zinc/36/22/35/601362235.db2.gz MPXIGCFAMHVEDO-UHFFFAOYSA-N -2 0 340.332 2.118 20 0 EEADRL CC(C)c1cnc([N-]S(=O)(=O)c2csnc2C(=O)[O-])s1 ZINC000827140031 601769242 /nfs/dbraw/zinc/76/92/42/601769242.db2.gz WVLSYBVXSQWJCR-UHFFFAOYSA-N -2 0 333.416 2.222 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])ccc1N(C)C ZINC000832900338 601769604 /nfs/dbraw/zinc/76/96/04/601769604.db2.gz YDCMPZRAGCIDRG-UHFFFAOYSA-N -2 0 341.414 2.017 20 0 EEADRL CC(C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n[nH]1 ZINC000388474036 601850481 /nfs/dbraw/zinc/85/04/81/601850481.db2.gz ZVRHNEKDXLTMDV-UHFFFAOYSA-N -2 0 327.337 2.171 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cs1 ZINC000832853265 601986255 /nfs/dbraw/zinc/98/62/55/601986255.db2.gz SNGGVHHCNGJQPP-UHFFFAOYSA-N -3 0 341.366 2.254 20 0 EEADRL CCc1ccccc1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000830276270 604625372 /nfs/dbraw/zinc/62/53/72/604625372.db2.gz DPVLSTRXFYWBLP-UHFFFAOYSA-N -2 0 333.365 2.066 20 0 EEADRL CCC(=O)c1cccc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])c1 ZINC000828580422 604775107 /nfs/dbraw/zinc/77/51/07/604775107.db2.gz IOABCRALGOTATH-UHFFFAOYSA-N -2 0 334.353 2.173 20 0 EEADRL CCN(CC)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cn1 ZINC000833654104 605183821 /nfs/dbraw/zinc/18/38/21/605183821.db2.gz BEIUOXMSTKNQET-UHFFFAOYSA-N -2 0 339.373 2.020 20 0 EEADRL COc1c(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1F ZINC000833727465 605185964 /nfs/dbraw/zinc/18/59/64/605185964.db2.gz WRYYHTMQGJDQPS-UHFFFAOYSA-N -2 0 333.268 2.065 20 0 EEADRL COCc1ccc(S(=O)(=O)[N-]c2sccc2C(=O)[O-])cc1 ZINC000833726195 605205072 /nfs/dbraw/zinc/20/50/72/605205072.db2.gz VYFDWWMNEOSYSV-UHFFFAOYSA-N -2 0 327.383 2.394 20 0 EEADRL CCc1nccnc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188279245 1279826719 /nfs/dbraw/zinc/82/67/19/1279826719.db2.gz FHGCEDKLKWRHDG-UHFFFAOYSA-N -2 0 341.776 2.191 20 0 EEADRL CS(=O)(=O)Cc1ccccc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242162177 1309623947 /nfs/dbraw/zinc/62/39/47/1309623947.db2.gz BOGWMZQJIREFHW-UHFFFAOYSA-N -2 0 334.349 2.295 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(=O)n(CC(F)(F)F)c2)c1 ZINC001242163906 1309624931 /nfs/dbraw/zinc/62/49/31/1309624931.db2.gz RDIYQNZBBJRIBI-UHFFFAOYSA-N -2 0 341.241 2.474 20 0 EEADRL O=C([O-])c1cc(Cl)cc(-c2ccc3c(c2)C(=O)[N-]S3(=O)=O)c1 ZINC001243323614 1309794057 /nfs/dbraw/zinc/79/40/57/1309794057.db2.gz JLQUSIKPBIEFAL-UHFFFAOYSA-N -2 0 337.740 2.137 20 0 EEADRL COC(=O)c1c(F)cc(-c2ccc(P(=O)([O-])[O-])cc2)cc1F ZINC001244605528 1309961682 /nfs/dbraw/zinc/96/16/82/1309961682.db2.gz JONIBJXTGRGAKG-UHFFFAOYSA-N -2 0 328.207 2.221 20 0 EEADRL COc1ccc(-c2cc(=O)n(-c3ccc(C(=O)[O-])cn3)[n-]2)cc1OC ZINC001245930327 1310191166 /nfs/dbraw/zinc/19/11/66/1310191166.db2.gz LRNGOCZMZMIFAH-UHFFFAOYSA-N -2 0 341.323 2.355 20 0 EEADRL Cc1cnn(C2CCC2)c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260184176 1319819050 /nfs/dbraw/zinc/81/90/50/1319819050.db2.gz AKPKJNXPOFRRQA-UHFFFAOYSA-N -2 0 335.385 2.416 20 0 EEADRL Cn1ncc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)ccc21 ZINC001260215147 1319834129 /nfs/dbraw/zinc/83/41/29/1319834129.db2.gz YBCIRPIWNLOSED-UHFFFAOYSA-N -2 0 349.343 2.211 20 0 EEADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cn1 ZINC000390863632 1322819816 /nfs/dbraw/zinc/81/98/16/1322819816.db2.gz NDXSBDDRAHGFDA-UHFFFAOYSA-N -2 0 340.332 2.118 20 0 EEADRL O=C([O-])c1ncsc1S(=O)(=O)NC1CC(c2ccccc2)C1 ZINC001602584077 1350551306 /nfs/dbraw/zinc/55/13/06/1350551306.db2.gz YPEVCZLGCNJSGN-UHFFFAOYSA-N -2 0 338.410 2.066 20 0 EEADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001605209164 1351104384 /nfs/dbraw/zinc/10/43/84/1351104384.db2.gz ZWYDMWJWIWDJTL-UWTIGNOOSA-N -2 0 345.461 2.294 20 0 EEADRL CCc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)s1 ZINC001605806556 1351225808 /nfs/dbraw/zinc/22/58/08/1351225808.db2.gz VTYFYAMNMPFEBL-UHFFFAOYSA-N -2 0 339.394 2.127 20 0 EEADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc(Cl)n1 ZINC001607145515 1351437229 /nfs/dbraw/zinc/43/72/29/1351437229.db2.gz LLBFBARBIOFZPQ-UHFFFAOYSA-N -2 0 348.789 2.304 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2noc3c2CCCC3)cc1C(=O)[O-] ZINC001607823434 1351565565 /nfs/dbraw/zinc/56/55/65/1351565565.db2.gz ZUZMGTLHFCEZKN-UHFFFAOYSA-N -2 0 336.369 2.361 20 0 EEADRL O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC001608600134 1351723094 /nfs/dbraw/zinc/72/30/94/1351723094.db2.gz UBGSWCIBZVKFGN-CWSCBRNRSA-N -2 0 332.381 2.442 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cncc3ccccc32)cn1 ZINC001608913867 1351792676 /nfs/dbraw/zinc/79/26/76/1351792676.db2.gz JNORYHTWJWYFGZ-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]C(=O)c2cccc(C3CCC3)c2)c1 ZINC001608990510 1351809865 /nfs/dbraw/zinc/80/98/65/1351809865.db2.gz BQPYNPIBXGIUNL-UHFFFAOYSA-N -2 0 349.364 2.364 20 0 EEADRL CCc1[nH]nc([N-]S(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)c1C ZINC001610056593 1352151668 /nfs/dbraw/zinc/15/16/68/1352151668.db2.gz MCODWHIPUIKVQL-TWGQIWQCSA-N -2 0 335.385 2.179 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(n1)CCC2 ZINC001610442596 1352222847 /nfs/dbraw/zinc/22/28/47/1352222847.db2.gz WRNGMEDADDTUNN-UHFFFAOYSA-N -2 0 332.381 2.378 20 0 EEADRL Cc1ccc(Cl)cc1NC(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)[O-] ZINC001610502981 1352234772 /nfs/dbraw/zinc/23/47/72/1352234772.db2.gz VMYGCCUPQBRNMG-JOYOIKCWSA-N -2 0 340.763 2.430 20 0 EEADRL Cc1ccc2[nH]c([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)nc2c1 ZINC001610515274 1352236607 /nfs/dbraw/zinc/23/66/07/1352236607.db2.gz CJNIEPPWRUMMPO-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1cnn(CC2CC2)c1 ZINC001600002782 1349953153 /nfs/dbraw/zinc/95/31/53/1349953153.db2.gz XFTQBYQEEPLJNG-UHFFFAOYSA-N -2 0 341.414 2.162 20 0 EEADRL Cc1ccc(-c2nc(C(=O)N(CCC(=O)[O-])CC(=O)[O-])cs2)cc1 ZINC001600315727 1350018612 /nfs/dbraw/zinc/01/86/12/1350018612.db2.gz BVJNVFLWARNTBC-UHFFFAOYSA-N -2 0 348.380 2.120 20 0 EEADRL Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001600423729 1350047797 /nfs/dbraw/zinc/04/77/97/1350047797.db2.gz KBPJPJRCDKLCGC-UHFFFAOYSA-N -2 0 349.792 2.199 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])cc2F)s1 ZINC001600478113 1350061418 /nfs/dbraw/zinc/06/14/18/1350061418.db2.gz KLFYDLGRISQFKF-UHFFFAOYSA-N -2 0 343.357 2.013 20 0 EEADRL Cc1cccc(C[C@H](CNC(=O)[C@@H](C(=O)[O-])C(C)(C)C)C(=O)[O-])c1 ZINC001600528193 1350073948 /nfs/dbraw/zinc/07/39/48/1350073948.db2.gz XONRQFKWEJPXQH-KGLIPLIRSA-N -2 0 335.400 2.101 20 0 EEADRL Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])o1 ZINC001600536822 1350076252 /nfs/dbraw/zinc/07/62/52/1350076252.db2.gz SXUVVVAGEWACQV-UHFFFAOYSA-N -2 0 343.744 2.058 20 0 EEADRL Cc1ccccc1C(F)(F)C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001600570701 1350085694 /nfs/dbraw/zinc/08/56/94/1350085694.db2.gz BNUMEEKTDNSYOB-UHFFFAOYSA-N -2 0 345.323 2.357 20 0 EEADRL Cc1csc(C(=O)[O-])c1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC001600650358 1350107931 /nfs/dbraw/zinc/10/79/31/1350107931.db2.gz UIPMCSHCFXUZRO-UHFFFAOYSA-N -3 0 347.395 2.315 20 0 EEADRL Cc1oc(C)c(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1C ZINC001600836183 1350148028 /nfs/dbraw/zinc/14/80/28/1350148028.db2.gz BMWWWKDZRZRHTM-UHFFFAOYSA-N -2 0 343.382 2.083 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(CC(C)(C)C)[nH]n1 ZINC001600837271 1350148226 /nfs/dbraw/zinc/14/82/26/1350148226.db2.gz PLZSLSZCWCKRLT-UHFFFAOYSA-N -2 0 341.389 2.399 20 0 EEADRL O=C([O-])C[C@@H](O)CNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC001601910349 1350395228 /nfs/dbraw/zinc/39/52/28/1350395228.db2.gz KAMSBWXGZCCXPW-GFCCVEGCSA-N -2 0 349.770 2.278 20 0 EEADRL O=C([O-])CC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1[O-] ZINC001601974081 1350408729 /nfs/dbraw/zinc/40/87/29/1350408729.db2.gz WMZYNQVNMMFXPE-CQSZACIVSA-N -2 0 349.408 2.147 20 0 EEADRL O=C([O-])c1coc(C(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)c1 ZINC001602550406 1350544101 /nfs/dbraw/zinc/54/41/01/1350544101.db2.gz GUHRQAROBNHALN-UHFFFAOYSA-N -2 0 347.348 2.025 20 0 EEADRL O=C([O-])c1nscc1[N-]S(=O)(=O)[C@H]1C[C@H]1c1cccc(F)c1 ZINC001602587199 1350552251 /nfs/dbraw/zinc/55/22/51/1350552251.db2.gz WQNYHAVAIGBTBN-ONGXEEELSA-N -2 0 342.373 2.278 20 0 EEADRL O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)c2c([O-])cccc2F)C1 ZINC001602621831 1350559450 /nfs/dbraw/zinc/55/94/50/1350559450.db2.gz CXRZSIVOWRFGTJ-GOSISDBHSA-N -2 0 329.327 2.400 20 0 EEADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc2sccc2s1 ZINC001603186893 1350658160 /nfs/dbraw/zinc/65/81/60/1350658160.db2.gz CVFZWXNIOPXPJB-NKWVEPMBSA-N -2 0 347.439 2.132 20 0 EEADRL CC(C)CCc1cc(=O)n(-c2cc(-c3nn[nH]n3)cc(Cl)n2)[n-]1 ZINC001603278325 1350677803 /nfs/dbraw/zinc/67/78/03/1350677803.db2.gz MVDGNTUFUOSPFY-UHFFFAOYSA-N -2 0 333.783 2.444 20 0 EEADRL C[C@H](CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])cs1)C(=O)[O-] ZINC001604132503 1350868192 /nfs/dbraw/zinc/86/81/92/1350868192.db2.gz PKFMMRSVXKRXHL-BDAKNGLRSA-N -2 0 349.430 2.004 20 0 EEADRL CC[C@H](C)n1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1C ZINC001604975592 1351043067 /nfs/dbraw/zinc/04/30/67/1351043067.db2.gz GSMDPZBVYBYQOP-QMMMGPOBSA-N -2 0 327.362 2.255 20 0 EEADRL COc1cncc(S(=O)(=O)[N-]c2cc3[nH]ccc3c(C(=O)[O-])c2)c1 ZINC001607356475 1351481606 /nfs/dbraw/zinc/48/16/06/1351481606.db2.gz WZMULZBVBPXGSB-UHFFFAOYSA-N -2 0 347.352 2.071 20 0 EEADRL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001607500727 1351506200 /nfs/dbraw/zinc/50/62/00/1351506200.db2.gz WGXVCWWPOFUARA-UHFFFAOYSA-N -2 0 349.290 2.294 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2ncsc2C2CC2)oc1C(=O)[O-] ZINC001607708068 1351543281 /nfs/dbraw/zinc/54/32/81/1351543281.db2.gz SDLHGQXHJVLMRH-UHFFFAOYSA-N -2 0 328.371 2.421 20 0 EEADRL Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001607717531 1351545401 /nfs/dbraw/zinc/54/54/01/1351545401.db2.gz OOOOIELUVSGXNU-RYUDHWBXSA-N -2 0 344.371 2.315 20 0 EEADRL Cc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)s1 ZINC001608019568 1351607725 /nfs/dbraw/zinc/60/77/25/1351607725.db2.gz XAAUMBLLJPLXPA-UHFFFAOYSA-N -2 0 347.805 2.307 20 0 EEADRL Cn1nc(C(=O)[O-])cc1/C=C(/C(=O)[O-])c1nc(C(C)(C)C)cs1 ZINC001608143844 1351633744 /nfs/dbraw/zinc/63/37/44/1351633744.db2.gz JJVQFDICLWBNTE-WEVVVXLNSA-N -2 0 335.385 2.498 20 0 EEADRL O=C([O-])[C@H](CNC(=O)c1cccc(Br)c1[O-])CC1CC1 ZINC001608419283 1351690622 /nfs/dbraw/zinc/69/06/22/1351690622.db2.gz KWCGAUOUPUOUEI-VIFPVBQESA-N -2 0 342.189 2.385 20 0 EEADRL O=P([O-])([O-])OCCNc1cnc2[nH]c(-c3ccccc3)nc2c1 ZINC001168591282 790759976 /nfs/dbraw/zinc/75/99/76/790759976.db2.gz MUXWWFYTNWHZGP-UHFFFAOYSA-N -2 0 334.272 2.146 20 0 EEADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N(CC2CC2)C2CCC2)c1 ZINC000906964442 784277072 /nfs/dbraw/zinc/27/70/72/784277072.db2.gz VSZCRCZVJOYYLW-UHFFFAOYSA-N -2 0 325.386 2.044 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCCCc2ccccc2)C1 ZINC000910181007 786513505 /nfs/dbraw/zinc/51/35/05/786513505.db2.gz BRISCCAWZLVIGY-GJZGRUSLSA-N -2 0 333.384 2.176 20 0 EEADRL CC[C@H](Cc1ccccc1C)C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910182426 786514527 /nfs/dbraw/zinc/51/45/27/786514527.db2.gz HYURQHZYOVPVFX-KBMXLJTQSA-N -2 0 347.411 2.340 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)CC[C@@H]2CCc3ccccc32)C1 ZINC000910182111 786514704 /nfs/dbraw/zinc/51/47/04/786514704.db2.gz ICGJVJNZGUOOLC-LZWOXQAQSA-N -2 0 345.395 2.273 20 0 EEADRL CC1(C)CCCC[C@@H]1CC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910182423 786514856 /nfs/dbraw/zinc/51/48/56/786514856.db2.gz HXNWPGZNXUXTON-YNEHKIRRSA-N -2 0 325.405 2.369 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cc3ccccc3s2)C1 ZINC000910186612 786518620 /nfs/dbraw/zinc/51/86/20/786518620.db2.gz SJSIYYMDVLOOBD-GHMZBOCLSA-N -2 0 333.365 2.291 20 0 EEADRL CCCCc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1 ZINC000910192772 786524432 /nfs/dbraw/zinc/52/44/32/786524432.db2.gz UZEVGRVSWSWGKU-HUUCEWRRSA-N -2 0 333.384 2.419 20 0 EEADRL O=C([O-])Cn1cc(Nc2cccc3cc(S(=O)(=O)[O-])ccc32)cn1 ZINC001176271550 798414298 /nfs/dbraw/zinc/41/42/98/798414298.db2.gz WQNPVSIFUGIJIR-UHFFFAOYSA-N -2 0 347.352 2.111 20 0 EEADRL CCc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793410750 810306858 /nfs/dbraw/zinc/30/68/58/810306858.db2.gz HXJFEDDMHXVQPA-UHFFFAOYSA-N -2 0 342.348 2.492 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ccc2nccnc2c1 ZINC000323189395 970974294 /nfs/dbraw/zinc/97/42/94/970974294.db2.gz MAQMHOHROOCFMN-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccnc2N(C)C)c1C ZINC000324881111 971165559 /nfs/dbraw/zinc/16/55/59/971165559.db2.gz QJILTPIIVDXRCP-UHFFFAOYSA-N -2 0 349.412 2.263 20 0 EEADRL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]c1cc(Cl)ccc1Cl ZINC000037731727 957322676 /nfs/dbraw/zinc/32/26/76/957322676.db2.gz DUOWAIMGDIEFMB-UHFFFAOYSA-N -2 0 336.156 2.216 20 0 EEADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1cccc(-n2cccn2)c1 ZINC000319553622 970547697 /nfs/dbraw/zinc/54/76/97/970547697.db2.gz DUWYFIMHYKGQFO-UHFFFAOYSA-N -2 0 349.393 2.433 20 0 EEADRL C[C@H]1CCCN(Cc2ncc(Br)cc2[O-])[C@H]1C(=O)[O-] ZINC001603414721 973098418 /nfs/dbraw/zinc/09/84/18/973098418.db2.gz FZIWPMNTWHTJTA-QPUJVOFHSA-N -2 0 329.194 2.235 20 0 EEADRL CCC(CC)(CNC(=O)NCCc1cccc(C(=O)[O-])c1)C(=O)[O-] ZINC001595067939 979332705 /nfs/dbraw/zinc/33/27/05/979332705.db2.gz RVANPQDJKNSULF-UHFFFAOYSA-N -2 0 336.388 2.118 20 0 EEADRL CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-] ZINC001595126250 979516165 /nfs/dbraw/zinc/51/61/65/979516165.db2.gz SYVIRZFLBNXYJC-NTZNESFSSA-N -2 0 333.450 2.148 20 0 EEADRL CCCCC[C@H](NC(=O)c1nn(-c2cccc(F)c2)cc1[O-])C(=O)[O-] ZINC001595680881 982157545 /nfs/dbraw/zinc/15/75/45/982157545.db2.gz KCRAWAZJXTVQNX-ZDUSSCGKSA-N -2 0 349.362 2.480 20 0 EEADRL CCCCc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)o1 ZINC001595798755 982611170 /nfs/dbraw/zinc/61/11/70/982611170.db2.gz HGERDETVXDYILP-UHFFFAOYSA-N -2 0 339.373 2.220 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1n[nH]c2ccccc21 ZINC001597791667 989323323 /nfs/dbraw/zinc/32/33/23/989323323.db2.gz PXPXKPXEHUVXJD-UHFFFAOYSA-N -2 0 335.341 2.217 20 0 EEADRL C[C@](O)(C(=O)[O-])c1cccc(-c2ccccc2[C@@H](O)CC(=O)[O-])c1 ZINC001593376057 995086148 /nfs/dbraw/zinc/08/61/48/995086148.db2.gz SPQKJJNQFJMUKM-MAUKXSAKSA-N -2 0 330.336 2.154 20 0 EEADRL C[C@]1(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CC=CCC1 ZINC001593755532 996403749 /nfs/dbraw/zinc/40/37/49/996403749.db2.gz SRRMRYGYCGCKIR-INIZCTEOSA-N -2 0 337.397 2.077 20 0 EEADRL C[C@@]1(NC(=O)c2nn(-c3ccccc3)cc2[O-])CCCC[C@@H]1C(=O)[O-] ZINC001594061312 997848804 /nfs/dbraw/zinc/84/88/04/997848804.db2.gz UVFDVSTUJGPTIL-FZKQIMNGSA-N -2 0 343.383 2.341 20 0 EEADRL Cc1[n-]n(-c2ccc(OCC(F)(F)F)cc2)c(=O)c1CC(=O)[O-] ZINC001594113003 998218353 /nfs/dbraw/zinc/21/83/53/998218353.db2.gz ACRRXTMSGJBTFM-NSHDSACASA-N -2 0 330.262 2.441 20 0 EEADRL COc1ccc(O)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c1 ZINC000342773394 161089855 /nfs/dbraw/zinc/08/98/55/161089855.db2.gz BGBMPYFCKYVQFP-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL COc1ccc(O)c(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c1 ZINC000342788612 161091097 /nfs/dbraw/zinc/09/10/97/161091097.db2.gz ZYWKZFJRCDWWDI-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL Cc1cc(C(=O)Nc2ccc3c(c2)COC3)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000352844234 162308221 /nfs/dbraw/zinc/30/82/21/162308221.db2.gz SYEFBHSVDPCDHR-UHFFFAOYSA-N -2 0 338.323 2.027 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2ccccc2)[nH]n1 ZINC000444418807 315300080 /nfs/dbraw/zinc/30/00/80/315300080.db2.gz LOMAHKJAPJUZEI-UHFFFAOYSA-N -2 0 347.352 2.477 20 0 EEADRL COc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000532092959 317841301 /nfs/dbraw/zinc/84/13/01/317841301.db2.gz XMLMYVAVRZVZTB-UHFFFAOYSA-N -2 0 343.382 2.270 20 0 EEADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2c[nH]c3ncccc23)c1 ZINC000325798583 465030639 /nfs/dbraw/zinc/03/06/39/465030639.db2.gz OWNVYEOOAFGINR-UHFFFAOYSA-N -2 0 347.352 2.071 20 0 EEADRL CCc1nn(C)cc1[N-]S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000091021902 462820823 /nfs/dbraw/zinc/82/08/23/462820823.db2.gz MELHEARKPLKZJH-UHFFFAOYSA-N -2 0 337.401 2.098 20 0 EEADRL Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000036833340 463440556 /nfs/dbraw/zinc/44/05/56/463440556.db2.gz MAGNQVWVGYVMOI-UHFFFAOYSA-N -2 0 335.337 2.192 20 0 EEADRL O=S(=O)(CCOCC(F)(F)F)[N-]c1cccc(Cl)c1[O-] ZINC000357080399 465751687 /nfs/dbraw/zinc/75/16/87/465751687.db2.gz UGNIKEJUNOHWCW-UHFFFAOYSA-N -2 0 333.715 2.366 20 0 EEADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccsc2)cc2c1OCCO2 ZINC000349045403 465938262 /nfs/dbraw/zinc/93/82/62/465938262.db2.gz ZQRATPIFWPDDAO-UHFFFAOYSA-N -2 0 341.366 2.018 20 0 EEADRL CC(C)c1scnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000341077203 466564568 /nfs/dbraw/zinc/56/45/68/466564568.db2.gz GEOVXVQZDATDHP-UHFFFAOYSA-N -2 0 342.398 2.471 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2ccc(F)cc2F)ccc1C(=O)[O-] ZINC000323691075 466640662 /nfs/dbraw/zinc/64/06/62/466640662.db2.gz IQHVPTHMNQTIIZ-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL Cc1nc(C)c(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)s1 ZINC000434023180 467372782 /nfs/dbraw/zinc/37/27/82/467372782.db2.gz DCGFOGFQJMELQY-UHFFFAOYSA-N -2 0 331.357 2.070 20 0 EEADRL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000399562475 467454564 /nfs/dbraw/zinc/45/45/64/467454564.db2.gz FWMWHZBSSOIRTI-RDDDGLTNSA-N -2 0 339.335 2.128 20 0 EEADRL O=C([O-])[C@@H](NS(=O)(=O)c1ccco1)C12CC3CC(CC(C3)C1)C2 ZINC000583364284 468684801 /nfs/dbraw/zinc/68/48/01/468684801.db2.gz MIGRVKZMXNBRCD-QMJPPLBSSA-N -2 0 339.413 2.228 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)cn1 ZINC000630426239 469842648 /nfs/dbraw/zinc/84/26/48/469842648.db2.gz WSNLMLKYQIWSHA-LSDHHAIUSA-N -2 0 332.381 2.379 20 0 EEADRL COc1cc(C(=O)[O-])ccc1CCN=c1nc([C@H](C)OC)[n-]s1 ZINC000649408026 470578646 /nfs/dbraw/zinc/57/86/46/470578646.db2.gz UZMJPKLHXRGJHQ-VIFPVBQESA-N -2 0 337.401 2.029 20 0 EEADRL O=C([O-])CC1(NC(=O)N=c2nc(-c3ccsc3)[n-]s2)CCC1 ZINC000649542835 470621845 /nfs/dbraw/zinc/62/18/45/470621845.db2.gz RJUWPQRNULHWQU-UHFFFAOYSA-N -2 0 338.414 2.207 20 0 EEADRL Cc1nc2c(c(=O)[nH]1)CN(C(=O)c1ccc(C(F)(F)F)cc1O)C2 ZINC000636285234 470948412 /nfs/dbraw/zinc/94/84/12/470948412.db2.gz FEYLATAFXSEDKQ-UHFFFAOYSA-N -2 0 339.273 2.371 20 0 EEADRL Cc1ccc2c(c1)N(S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-])CC2 ZINC000674335361 485700191 /nfs/dbraw/zinc/70/01/91/485700191.db2.gz KBXQQUVFRQTBMT-UHFFFAOYSA-N -2 0 333.365 2.150 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2cc(F)cc(F)c2)sc1C(=O)[O-] ZINC000738364575 578010779 /nfs/dbraw/zinc/01/07/79/578010779.db2.gz UYUKCOGBFMBRLY-UHFFFAOYSA-N -2 0 334.325 2.229 20 0 EEADRL CCn1cc([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)cn1 ZINC000767735560 577543917 /nfs/dbraw/zinc/54/39/17/577543917.db2.gz IXEKEPHSBRHJOZ-UHFFFAOYSA-N -2 0 347.755 2.195 20 0 EEADRL O=C([O-])CCCS(=O)(=O)[N-][C@H](c1ccccc1)C(F)(F)F ZINC000738585427 578020135 /nfs/dbraw/zinc/02/01/35/578020135.db2.gz UYNSUZNTRQIDFM-LLVKDONJSA-N -2 0 325.308 2.074 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)cc(C)c1F ZINC000832904710 600975439 /nfs/dbraw/zinc/97/54/39/600975439.db2.gz YHOUWUDYAFTADM-UHFFFAOYSA-N -2 0 344.389 2.327 20 0 EEADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2cccc3cnccc32)c1 ZINC000391295831 600982571 /nfs/dbraw/zinc/98/25/71/600982571.db2.gz MLLYYWVAUIXXEY-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2cc(C)cc(F)c2)sc1C(=O)[O-] ZINC000832888579 601358874 /nfs/dbraw/zinc/35/88/74/601358874.db2.gz XPOHMAXGUZYWHC-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL CCCCCc1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)s1 ZINC000829373186 601502487 /nfs/dbraw/zinc/50/24/87/601502487.db2.gz KDXARDKUDKCGDY-UHFFFAOYSA-N -2 0 345.402 2.363 20 0 EEADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@H](C(=O)[O-])C3CC3)n2)cc1 ZINC000827112751 601758214 /nfs/dbraw/zinc/75/82/14/601758214.db2.gz OQUCNRBVPKGNHX-HNNXBMFYSA-N -2 0 343.383 2.294 20 0 EEADRL Cn1cc(NC(=O)c2nn(-c3ccccc3F)cc2[O-])cc1C(=O)[O-] ZINC000833051280 601761154 /nfs/dbraw/zinc/76/11/54/601761154.db2.gz RNSWTDDGVJSTTH-UHFFFAOYSA-N -2 0 344.302 2.006 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c(C)n1 ZINC000832953025 601771448 /nfs/dbraw/zinc/77/14/48/601771448.db2.gz XYJRDUKXDFFNEO-UHFFFAOYSA-N -2 0 342.323 2.476 20 0 EEADRL O=C([O-])[C@H](NC(=O)CSc1n[n-]c(=S)s1)C1CCCCC1 ZINC000833115712 601787843 /nfs/dbraw/zinc/78/78/43/601787843.db2.gz CWAVZSYLPZHWSQ-SECBINFHSA-N -2 0 347.487 2.069 20 0 EEADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000831852271 601837962 /nfs/dbraw/zinc/83/79/62/601837962.db2.gz VGYYCZPBTKQYFA-UHFFFAOYSA-N -2 0 348.789 2.304 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccsc1C(=O)[O-] ZINC000832852765 601983818 /nfs/dbraw/zinc/98/38/18/601983818.db2.gz JPAWGKLQYFIEEC-UHFFFAOYSA-N -2 0 341.366 2.254 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)cc1C(=O)[O-] ZINC000832956048 602117739 /nfs/dbraw/zinc/11/77/39/602117739.db2.gz XKSAJFZWKXHQDU-UHFFFAOYSA-N -3 0 341.366 2.254 20 0 EEADRL Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)[C@H](C)CC(=O)[O-] ZINC000832922570 602178725 /nfs/dbraw/zinc/17/87/25/602178725.db2.gz BTCRLRRVIDNFKM-LLVKDONJSA-N -2 0 341.429 2.208 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2cc(C3CCCC3)[nH]n2)cc1C(=O)[O-] ZINC000833026786 602307720 /nfs/dbraw/zinc/30/77/20/602307720.db2.gz KVAMTUQDXVKKLW-UHFFFAOYSA-N -2 0 339.373 2.468 20 0 EEADRL C[C@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000828221658 602384802 /nfs/dbraw/zinc/38/48/02/602384802.db2.gz UYNCPFMJOMYYAY-IUCAKERBSA-N -2 0 331.415 2.078 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc2ccccc2[nH]1 ZINC000320878015 605142392 /nfs/dbraw/zinc/14/23/92/605142392.db2.gz SQKZKOADQBPDCQ-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1Cl ZINC000833733614 605184672 /nfs/dbraw/zinc/18/46/72/605184672.db2.gz WDGFKRVNGQRLEF-UHFFFAOYSA-N -2 0 331.733 2.441 20 0 EEADRL C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000833599876 605188335 /nfs/dbraw/zinc/18/83/35/605188335.db2.gz AFKHFDRCWBQRIZ-RKDXNWHRSA-N -2 0 345.804 2.279 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc2cccc(C)n12 ZINC001185879403 1278846089 /nfs/dbraw/zinc/84/60/89/1278846089.db2.gz OXSCGTNITFCKIP-UHFFFAOYSA-N -2 0 345.380 2.450 20 0 EEADRL O=C(N[C@@H]1CCCC(F)(F)C1)c1ccccc1OP(=O)([O-])[O-] ZINC001189899712 1280570526 /nfs/dbraw/zinc/57/05/26/1280570526.db2.gz GPRHOVJYRFSOMY-SECBINFHSA-N -2 0 335.243 2.466 20 0 EEADRL CCS(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)CC2CCCC2)c1 ZINC001191480804 1281409235 /nfs/dbraw/zinc/40/92/35/1281409235.db2.gz FARIUZWRZCLTQG-UHFFFAOYSA-N -2 0 347.458 2.118 20 0 EEADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccnn2C2CCC2)cc1 ZINC001192113936 1281803964 /nfs/dbraw/zinc/80/39/64/1281803964.db2.gz QCYKURDNUHJEKW-UHFFFAOYSA-N -2 0 349.412 2.426 20 0 EEADRL CC1(C)Oc2cc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)cnc2NC1=O ZINC001242163499 1309624097 /nfs/dbraw/zinc/62/40/97/1309624097.db2.gz XVKDXRKAJAWBMQ-UHFFFAOYSA-N -2 0 342.307 2.255 20 0 EEADRL O=C([O-])c1ccc(-c2ccc3c(c2)S(=O)(=O)[N-]C3=O)c(Cl)c1 ZINC001245373198 1310085828 /nfs/dbraw/zinc/08/58/28/1310085828.db2.gz OMXLBQCOUPEJEZ-UHFFFAOYSA-N -2 0 337.740 2.137 20 0 EEADRL O=P([O-])([O-])OCCNc1cnc(Cl)nc1Oc1ccccc1 ZINC001157795656 1318866162 /nfs/dbraw/zinc/86/61/62/1318866162.db2.gz JSCNGPAOVYQORV-UHFFFAOYSA-N -2 0 345.679 2.444 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2[S-])ccc1O ZINC001260398663 1319883458 /nfs/dbraw/zinc/88/34/58/1319883458.db2.gz RVBUTKQHXRBOKJ-UHFFFAOYSA-N -2 0 325.367 2.180 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)C1CCC(C)(C)CC1 ZINC001608038238 1351611932 /nfs/dbraw/zinc/61/19/32/1351611932.db2.gz FKZCUKAOEJAETO-UHFFFAOYSA-N -2 0 343.401 2.308 20 0 EEADRL Cn1cc(NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])cc1C(=O)[O-] ZINC001608119851 1351629089 /nfs/dbraw/zinc/62/90/89/1351629089.db2.gz LDPKPFYZQASSAP-UHFFFAOYSA-N -2 0 344.302 2.006 20 0 EEADRL O=C([O-])C1=CC[C@H](NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])C1 ZINC001608587650 1351721254 /nfs/dbraw/zinc/72/12/54/1351721254.db2.gz ZMALWLGQTZSMIF-NSHDSACASA-N -2 0 347.758 2.135 20 0 EEADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2F)c1F ZINC001608850641 1351778601 /nfs/dbraw/zinc/77/86/01/1351778601.db2.gz AXDHCPGULRBDIB-NXEZZACHSA-N -2 0 337.319 2.222 20 0 EEADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2nc3ccccc3[nH]2)c1 ZINC001608850788 1351778761 /nfs/dbraw/zinc/77/87/61/1351778761.db2.gz MLCRQZVLHMXQTR-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL C[C@@H](C(=O)[O-])c1cccc(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1 ZINC001609645634 1352049234 /nfs/dbraw/zinc/04/92/34/1352049234.db2.gz YJHPZHVGJOAGCH-MRVPVSSYSA-N -2 0 346.305 2.270 20 0 EEADRL C[C@H](NC(=O)C[C@@H](C(=O)[O-])c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001609758704 1352077658 /nfs/dbraw/zinc/07/76/58/1352077658.db2.gz BWUALDIPMVEDSP-GXSJLCMTSA-N -2 0 348.380 2.277 20 0 EEADRL CN(C)c1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccccc1F ZINC001610105573 1352162735 /nfs/dbraw/zinc/16/27/35/1352162735.db2.gz ZPLYMIBKRPMSFL-UHFFFAOYSA-N -2 0 338.360 2.391 20 0 EEADRL COc1cc(C(=O)[O-])ccc1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC001610286356 1352199889 /nfs/dbraw/zinc/19/98/89/1352199889.db2.gz YIOHFYMLARMUGV-UHFFFAOYSA-N -2 0 336.344 2.158 20 0 EEADRL COc1cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c(C(=O)[O-])cc1OC ZINC001610298926 1352201749 /nfs/dbraw/zinc/20/17/49/1352201749.db2.gz MMQNOOZBIWPWEM-VHSXEESVSA-N -2 0 349.339 2.008 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2cc(C)cnc2Cl)cc1C(=O)[O-] ZINC001610539403 1352241316 /nfs/dbraw/zinc/24/13/16/1352241316.db2.gz DBYONFHWJJJZAX-UHFFFAOYSA-N -2 0 330.749 2.444 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)cc1C(=O)[O-] ZINC001610563648 1352245686 /nfs/dbraw/zinc/24/56/86/1352245686.db2.gz QETQGOVMRZSLRH-UHFFFAOYSA-N -2 0 342.760 2.248 20 0 EEADRL Cn1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3=O)cc1C(=O)[O-] ZINC001610605870 1352252828 /nfs/dbraw/zinc/25/28/28/1352252828.db2.gz VODPGNNDUJIUBX-UHFFFAOYSA-N -2 0 348.380 2.043 20 0 EEADRL O=C([O-])CCCc1nnc([N-]C(=O)c2nc(Cl)ccc2F)s1 ZINC001610772460 1352272210 /nfs/dbraw/zinc/27/22/10/1352272210.db2.gz NSHQAEFKIOTSEQ-UHFFFAOYSA-N -2 0 344.755 2.385 20 0 EEADRL Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1ccccc1C(=O)[O-] ZINC001600317522 1350018840 /nfs/dbraw/zinc/01/88/40/1350018840.db2.gz ZNUYUEJASGLNHE-UHFFFAOYSA-N -2 0 338.323 2.436 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc(C(F)(F)F)c[nH]1 ZINC001600364386 1350030499 /nfs/dbraw/zinc/03/04/99/1350030499.db2.gz DMDFSRHKNQYNFW-UHFFFAOYSA-N -2 0 349.290 2.236 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cc(F)ccc2O)c1C(=O)[O-] ZINC001600839042 1350148563 /nfs/dbraw/zinc/14/85/63/1350148563.db2.gz ZHBUPIUUDUUAGD-UHFFFAOYSA-N -2 0 329.305 2.240 20 0 EEADRL Cc1oc(CN(C)C(=O)NCCCCCC(=O)[O-])cc1C(=O)[O-] ZINC001600841175 1350149265 /nfs/dbraw/zinc/14/92/65/1350149265.db2.gz SHNPMOVEMGZHNL-UHFFFAOYSA-N -2 0 326.349 2.073 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2cncc3c2CCCC3)cc1C(=O)[O-] ZINC001600856590 1350153136 /nfs/dbraw/zinc/15/31/36/1350153136.db2.gz GKIZYWBYGNMFMN-UHFFFAOYSA-N -2 0 336.369 2.361 20 0 EEADRL Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001600977909 1350181313 /nfs/dbraw/zinc/18/13/13/1350181313.db2.gz XDWTYIWKRAVXKS-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL O=C([O-])c1occc1CNC(=O)c1cccc(Br)c1[O-] ZINC001601545863 1350304948 /nfs/dbraw/zinc/30/49/48/1350304948.db2.gz LNEOVDPRDSPJQE-UHFFFAOYSA-N -2 0 340.129 2.376 20 0 EEADRL O=C([O-])C1(CS(=O)(=O)[N-]c2cc(Cl)ccc2O)CCCC1 ZINC001601716288 1350346357 /nfs/dbraw/zinc/34/63/57/1350346357.db2.gz QXNAJUPRSRYKBF-UHFFFAOYSA-N -2 0 333.793 2.432 20 0 EEADRL O=C([O-])C1=CC[C@H](NC(=O)c2cc(Br)c(F)cc2[O-])C1 ZINC001601736474 1350351348 /nfs/dbraw/zinc/35/13/48/1350351348.db2.gz ZRZFZLWTIUADQN-ZETCQYMHSA-N -2 0 344.136 2.197 20 0 EEADRL O=C([O-])[C@@H]1CCN(C(=O)c2cccc(F)c2[O-])[C@@H]([C@H]2CCCO2)C1 ZINC001601827595 1350374291 /nfs/dbraw/zinc/37/42/91/1350374291.db2.gz PKLMXHWQEATTTB-LERXQTSPSA-N -2 0 337.347 2.016 20 0 EEADRL O=C([O-])CCSCc1cccc(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])c1 ZINC001602030336 1350422162 /nfs/dbraw/zinc/42/21/62/1350422162.db2.gz PLTCKXYOJQJHDH-CHWSQXEVSA-N -2 0 337.397 2.444 20 0 EEADRL O=C([O-])CCc1ccc([N-]S(=O)(=O)c2ccnn2C2CCC2)cc1 ZINC001602041100 1350424450 /nfs/dbraw/zinc/42/44/50/1350424450.db2.gz WVJVEOLXVLXROJ-UHFFFAOYSA-N -2 0 349.412 2.426 20 0 EEADRL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1ccnn1C1CCC1 ZINC001602277446 1350484094 /nfs/dbraw/zinc/48/40/94/1350484094.db2.gz SCZIPOBYDJEZFB-UHFFFAOYSA-N -2 0 339.348 2.246 20 0 EEADRL O=C([O-])c1cc(NC(=O)N2CC[C@@H](C(=O)[O-])C2)cc(F)c1Cl ZINC001602279868 1350484800 /nfs/dbraw/zinc/48/48/00/1350484800.db2.gz MCMFEIWOHFKVAA-ZCFIWIBFSA-N -2 0 330.699 2.116 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)nc1 ZINC001602385808 1350508317 /nfs/dbraw/zinc/50/83/17/1350508317.db2.gz XSHGAMZTVKILAH-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(n2)CCCC3)cc1 ZINC001602402156 1350510859 /nfs/dbraw/zinc/51/08/59/1350510859.db2.gz KAXBQWVKPZMOIT-UHFFFAOYSA-N -2 0 332.381 2.459 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2ccc3c(c2)OC(F)(F)O3)c1 ZINC001602559582 1350546773 /nfs/dbraw/zinc/54/67/73/1350546773.db2.gz RWHITGNMQFBJEK-UHFFFAOYSA-N -2 0 347.251 2.100 20 0 EEADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1ccc(OC2CC2)cc1 ZINC001602587070 1350552248 /nfs/dbraw/zinc/55/22/48/1350552248.db2.gz QDHYBSYLIFFSES-UHFFFAOYSA-N -2 0 340.382 2.183 20 0 EEADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)C[C@@H]1CCCC(C)(C)C1 ZINC001603187726 1350659334 /nfs/dbraw/zinc/65/93/34/1350659334.db2.gz JLJBBQPOZPMWEB-SRVKXCTJSA-N -2 0 333.450 2.148 20 0 EEADRL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H](C(=O)[O-])C2CCCC2)C1 ZINC001603249554 1350671746 /nfs/dbraw/zinc/67/17/46/1350671746.db2.gz BEEUXFVKHPJJEM-OLZOCXBDSA-N -2 0 325.405 2.227 20 0 EEADRL C[C@H](S[C@@H](C)C(=O)Nc1cc(F)cc(C(=O)[O-])c1F)C(=O)[O-] ZINC001604449372 1350940179 /nfs/dbraw/zinc/94/01/79/1350940179.db2.gz QLVDUIHNOSXHRA-WDSKDSINSA-N -2 0 333.312 2.196 20 0 EEADRL CCC(CC)(NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(=O)[O-] ZINC001605009947 1351052375 /nfs/dbraw/zinc/05/23/75/1351052375.db2.gz UQPAFYGNMIPHFT-UHFFFAOYSA-N -2 0 335.335 2.090 20 0 EEADRL CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1cc(C)sc1C(=O)[O-] ZINC001605193064 1351100407 /nfs/dbraw/zinc/10/04/07/1351100407.db2.gz GXUNECOUZQPTLE-JTQLQIEISA-N -2 0 349.430 2.228 20 0 EEADRL CCCN(CC(=O)[O-])C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC001605306883 1351131882 /nfs/dbraw/zinc/13/18/82/1351131882.db2.gz QGTSDMQUYSTKIY-UHFFFAOYSA-N -2 0 331.324 2.402 20 0 EEADRL COCc1csc([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])n1 ZINC001606970787 1351387915 /nfs/dbraw/zinc/38/79/15/1351387915.db2.gz JAWZGPXMVKVVKH-UHFFFAOYSA-N -2 0 348.427 2.158 20 0 EEADRL COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)c1 ZINC001607185777 1351445266 /nfs/dbraw/zinc/44/52/66/1351445266.db2.gz DOBOUDZZTKGHGB-UHFFFAOYSA-N -2 0 343.382 2.264 20 0 EEADRL COc1ccc(C2(C(=O)[N-]OCCCC(=O)[O-])CCC2)cc1OC ZINC001607236369 1351455715 /nfs/dbraw/zinc/45/57/15/1351455715.db2.gz FWFHOGHPEPEXSB-UHFFFAOYSA-N -2 0 337.372 2.038 20 0 EEADRL Cc1ccccc1C(F)(F)C[N-]S(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC001607878825 1351577138 /nfs/dbraw/zinc/57/71/38/1351577138.db2.gz NDHVPUGTZZTGNE-UHFFFAOYSA-N -2 0 347.383 2.261 20 0 EEADRL O=C([O-])c1sc2ccccc2c1CNC(=O)c1c[n-]ncc1=O ZINC001608462292 1351699819 /nfs/dbraw/zinc/69/98/19/1351699819.db2.gz DBCIPRQVZRIVTM-UHFFFAOYSA-N -2 0 329.337 2.025 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cn(CCF)cn2)ccc1Cl ZINC001188281930 1368293897 /nfs/dbraw/zinc/29/38/97/1368293897.db2.gz BBGYHKOBHRLQFL-UHFFFAOYSA-N -2 0 347.755 2.005 20 0 EEADRL COC(=O)c1cc2ccc(NCCOP(=O)([O-])[O-])cc2s1 ZINC001168591137 790751673 /nfs/dbraw/zinc/75/16/73/790751673.db2.gz JBBPCFBBRSSOPU-UHFFFAOYSA-N -2 0 331.286 2.209 20 0 EEADRL C/C(=C\C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000910187129 786519676 /nfs/dbraw/zinc/51/96/76/786519676.db2.gz ABJIBYKQVSMTMK-IRIFAGDHSA-N -2 0 335.331 2.005 20 0 EEADRL O=C([O-])[C@H](C[C@H]1CCCOC1)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000910235582 786558473 /nfs/dbraw/zinc/55/84/73/786558473.db2.gz IWUORUJSPXQFRU-SKDRFNHKSA-N -2 0 327.764 2.045 20 0 EEADRL O=C([O-])c1cc(Nc2ccc(S(=O)(=O)[O-])cc2)cc(C(=O)[O-])c1 ZINC001176241880 798392539 /nfs/dbraw/zinc/39/25/39/798392539.db2.gz CHRJMIGGUDSYHP-UHFFFAOYSA-N -3 0 337.309 2.073 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2nnc(C(C)(C)C)o2)cc1C(=O)[O-] ZINC001184659320 802120466 /nfs/dbraw/zinc/12/04/66/802120466.db2.gz FPOWBMIVZZQEMV-UHFFFAOYSA-N -2 0 339.373 2.175 20 0 EEADRL COc1ccc(S(=O)(=O)Nc2cccnc2C2CC2)cc1C(=O)[O-] ZINC001185276042 802433825 /nfs/dbraw/zinc/43/38/25/802433825.db2.gz UUYZYBNBMUTKHB-UHFFFAOYSA-N -2 0 348.380 2.467 20 0 EEADRL N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000391389146 972333171 /nfs/dbraw/zinc/33/31/71/972333171.db2.gz BGCFUFQNXZUSSB-UHFFFAOYSA-N -2 0 334.328 2.125 20 0 EEADRL CC(C)(C(=O)[O-])n1cc(NC(=O)c2cc(F)c(F)c([O-])c2F)cn1 ZINC001588620066 959538375 /nfs/dbraw/zinc/53/83/75/959538375.db2.gz KLSFPESUTAHITI-UHFFFAOYSA-N -2 0 343.261 2.078 20 0 EEADRL O=Cc1ccc(-c2ccc([O-])c(C(=O)Nc3n[nH]cc3C(=O)[O-])c2)o1 ZINC001606567819 970372195 /nfs/dbraw/zinc/37/21/95/970372195.db2.gz JZTJTJBJVFWAEK-UHFFFAOYSA-N -2 0 341.279 2.138 20 0 EEADRL COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000320145369 970621397 /nfs/dbraw/zinc/62/13/97/970621397.db2.gz IVFPKSMQBBNOCA-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL CC(C)c1cccc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1 ZINC001591983248 976602686 /nfs/dbraw/zinc/60/26/86/976602686.db2.gz LXNXFJOGFJEREP-UHFFFAOYSA-N -2 0 337.353 2.220 20 0 EEADRL CCC(CC)[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001595105148 979419648 /nfs/dbraw/zinc/41/96/48/979419648.db2.gz BEHITPIPCGAUBN-QMMMGPOBSA-N -2 0 331.390 2.163 20 0 EEADRL CCCC1(C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2C(=O)[O-])CC1 ZINC001595616277 981642683 /nfs/dbraw/zinc/64/26/83/981642683.db2.gz OXXSUNYVSJRQCP-UHFFFAOYSA-N -2 0 345.804 2.423 20 0 EEADRL CC[C@H](C)C[C@@H](C)NC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001594934905 982583900 /nfs/dbraw/zinc/58/39/00/982583900.db2.gz RKFROBXERUPADN-UHSONWDQSA-N -2 0 340.420 2.018 20 0 EEADRL CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@@H](CC)C(=O)[O-] ZINC001595891515 982927311 /nfs/dbraw/zinc/92/73/11/982927311.db2.gz VYRTUHYOFMVEJN-SECBINFHSA-N -2 0 337.401 2.246 20 0 EEADRL CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)nc1 ZINC001597556391 988288956 /nfs/dbraw/zinc/28/89/56/988288956.db2.gz NWVVXSPSYWTQBC-UHFFFAOYSA-N -2 0 336.369 2.152 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)NC2(CC(=O)[O-])CCC2)n1 ZINC001597604841 988483983 /nfs/dbraw/zinc/48/39/83/988483983.db2.gz SRHHKSXIBKSNLV-UHFFFAOYSA-N -2 0 343.383 2.268 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc2ccccc2n1 ZINC001597791300 989320926 /nfs/dbraw/zinc/32/09/26/989320926.db2.gz PHAIDDZSUGLQSJ-UHFFFAOYSA-N -2 0 347.352 2.284 20 0 EEADRL C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001599871221 989352740 /nfs/dbraw/zinc/35/27/40/989352740.db2.gz SJVHFOXOPNBMCE-LNSDYSHSSA-N -2 0 331.368 2.032 20 0 EEADRL CC(C)CCCCC(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001591237250 992121936 /nfs/dbraw/zinc/12/19/36/992121936.db2.gz YPMOSVNKATWWBS-UHFFFAOYSA-N -2 0 342.417 2.374 20 0 EEADRL CO[C@]1(C(=O)[O-])CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C1 ZINC001599074859 996840455 /nfs/dbraw/zinc/84/04/55/996840455.db2.gz MZRWNLDBDYGKSU-CYBMUJFWSA-N -2 0 334.155 2.015 20 0 EEADRL CO[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2[O-])[C@@H](C(=O)[O-])C1 ZINC001599123876 997797670 /nfs/dbraw/zinc/79/76/70/997797670.db2.gz WWVQOHZJLUJKMJ-GZMMTYOYSA-N -2 0 347.289 2.115 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1-c1cn[nH]c1 ZINC000438813037 242050974 /nfs/dbraw/zinc/05/09/74/242050974.db2.gz KEGXCSIGUFKSLX-UHFFFAOYSA-N -2 0 347.352 2.477 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c(F)c1 ZINC000336868115 160563704 /nfs/dbraw/zinc/56/37/04/160563704.db2.gz QRJZHXLEOOBIPP-UHFFFAOYSA-N -2 0 339.300 2.053 20 0 EEADRL Cc1noc2ncc(S(=O)(=O)[N-]c3cccc(C)c3C(=O)[O-])cc12 ZINC000342281503 161053427 /nfs/dbraw/zinc/05/34/27/161053427.db2.gz OCMFFMWVZYSMIS-UHFFFAOYSA-N -2 0 347.352 2.339 20 0 EEADRL COc1ccc(O)c(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])c1 ZINC000342773102 161089753 /nfs/dbraw/zinc/08/97/53/161089753.db2.gz BZJXXSAFFYDHDA-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2c[nH]cn2)c(SCCC(=O)[O-])c1 ZINC000358857788 164000958 /nfs/dbraw/zinc/00/09/58/164000958.db2.gz FHGYKERCPRXDCY-UHFFFAOYSA-N -2 0 341.414 2.086 20 0 EEADRL CCn1cc([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)cn1 ZINC000358889034 164009483 /nfs/dbraw/zinc/00/94/83/164009483.db2.gz SEUVMKAPIRMXKW-UHFFFAOYSA-N -2 0 343.792 2.364 20 0 EEADRL Cc1c(S(=O)(=O)[N-]c2c(C(=O)[O-])cccc2C(C)C)cnn1C ZINC000291949644 275357047 /nfs/dbraw/zinc/35/70/47/275357047.db2.gz QKZNFKMAHVURBL-UHFFFAOYSA-N -2 0 337.401 2.351 20 0 EEADRL Cc1oncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2 ZINC000350302727 302878885 /nfs/dbraw/zinc/87/88/85/302878885.db2.gz UFYSWMNKRIXQQO-UHFFFAOYSA-N -2 0 336.369 2.361 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)nn1C ZINC000439059678 315065931 /nfs/dbraw/zinc/06/59/31/315065931.db2.gz XQFZSYPUVQNXQK-UHFFFAOYSA-N -2 0 349.412 2.106 20 0 EEADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](C(=O)[O-])C1(C)CCCCC1 ZINC000548028433 318346993 /nfs/dbraw/zinc/34/69/93/318346993.db2.gz ZCWHRVFHTIFEMK-BDAKNGLRSA-N -2 0 331.356 2.280 20 0 EEADRL CC(C)(C)[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000575320733 320100595 /nfs/dbraw/zinc/10/05/95/320100595.db2.gz GCXCRTLXXIXQAJ-SNVBAGLBSA-N -2 0 341.763 2.396 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2C(=O)[O-])c(F)c1 ZINC000581877469 324333286 /nfs/dbraw/zinc/33/32/86/324333286.db2.gz RQKLJOPKUISBQR-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)cc1C(=O)[O-] ZINC000336865680 465059395 /nfs/dbraw/zinc/05/93/95/465059395.db2.gz KVMZLFDTICUEKN-UHFFFAOYSA-N -2 0 346.311 2.126 20 0 EEADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000047202298 462755320 /nfs/dbraw/zinc/75/53/20/462755320.db2.gz NRFYDONIVMRKMA-UHFFFAOYSA-N -2 0 340.288 2.233 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cccc3nsnc32)cccc1C(=O)[O-] ZINC000065844497 462833387 /nfs/dbraw/zinc/83/33/87/462833387.db2.gz YPZBDAFMONRFGI-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000126780932 463662829 /nfs/dbraw/zinc/66/28/29/463662829.db2.gz KWZIVQKHOBDNJH-UHFFFAOYSA-N -2 0 328.371 2.421 20 0 EEADRL COc1cccc(OC)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000170599562 463679919 /nfs/dbraw/zinc/67/99/19/463679919.db2.gz XTMAFXJSDOATBJ-UHFFFAOYSA-N -2 0 337.353 2.203 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)c(F)c1 ZINC000358848461 465356902 /nfs/dbraw/zinc/35/69/02/465356902.db2.gz AYKPSIJPCVBFIV-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL CC(C)n1cc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])cn1 ZINC000356741922 465515583 /nfs/dbraw/zinc/51/55/83/465515583.db2.gz MNCBYRIPBUCMFZ-UHFFFAOYSA-N -2 0 327.337 2.102 20 0 EEADRL Cn1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2C(=O)[O-])n1 ZINC000340094918 465763244 /nfs/dbraw/zinc/76/32/44/465763244.db2.gz OVIXCUWFEICLMO-UHFFFAOYSA-N -2 0 337.401 2.217 20 0 EEADRL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000349103811 465971158 /nfs/dbraw/zinc/97/11/58/465971158.db2.gz CZBGZBSHJCDDEG-UHFFFAOYSA-N -2 0 327.383 2.402 20 0 EEADRL CC(CN=c1nc(C2CC2)[n-]s1)CN=c1nc(C2CC2)[n-]s1 ZINC000338808713 466393459 /nfs/dbraw/zinc/39/34/59/466393459.db2.gz REFUDTRQCHVLPK-UHFFFAOYSA-N -2 0 336.490 2.148 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])sc1C(=O)[O-] ZINC000350730449 466590798 /nfs/dbraw/zinc/59/07/98/466590798.db2.gz SCQLNOIWKWPWRV-UHFFFAOYSA-N -3 0 341.366 2.254 20 0 EEADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@H](C)CC(=O)[O-])n2)cc1 ZINC000427715546 467174138 /nfs/dbraw/zinc/17/41/38/467174138.db2.gz QSEACXUZZJMDLY-LLVKDONJSA-N -2 0 331.372 2.294 20 0 EEADRL CCc1cccc(CC)c1S(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-] ZINC000678716283 485483860 /nfs/dbraw/zinc/48/38/60/485483860.db2.gz DCZKWPSLBHMYGE-UHFFFAOYSA-N -2 0 337.401 2.044 20 0 EEADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CC[C@@H](C(=O)[O-])C3)n2)cc1 ZINC000178269796 528054713 /nfs/dbraw/zinc/05/47/13/528054713.db2.gz PNXAJDVAWMVDBS-CYBMUJFWSA-N -2 0 343.383 2.248 20 0 EEADRL Cc1c(NS(=O)(=O)c2ccccc2C(=O)[O-])cccc1C(=O)[O-] ZINC000738305876 578008770 /nfs/dbraw/zinc/00/87/70/578008770.db2.gz RXNQYBOPBDBGSA-UHFFFAOYSA-N -2 0 335.337 2.192 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccccc2OC(F)F)c(C(=O)[O-])[nH]1 ZINC000738463459 578016079 /nfs/dbraw/zinc/01/60/79/578016079.db2.gz FFZQTVSHMQQTRD-UHFFFAOYSA-N -2 0 346.311 2.424 20 0 EEADRL COc1c(C)cc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])cc1C ZINC000737839282 577016777 /nfs/dbraw/zinc/01/67/77/577016777.db2.gz JCPUHUINZRRAIX-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL COc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cnc1Cl ZINC000767438332 577537073 /nfs/dbraw/zinc/53/70/73/577537073.db2.gz HFKHGASVUUEZFC-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cccc(NC(=O)[O-])c1 ZINC000738785113 578026703 /nfs/dbraw/zinc/02/67/03/578026703.db2.gz HMFXVTVHNZVRPA-UHFFFAOYSA-N -2 0 334.353 2.204 20 0 EEADRL Cc1noc2ncc([N-]S(=O)(=O)c3ccccc3C(=O)[O-])cc12 ZINC000738955801 578032495 /nfs/dbraw/zinc/03/24/95/578032495.db2.gz SACQMGOMAYIAAT-UHFFFAOYSA-N -2 0 333.325 2.030 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccnn2C2CCCCC2)o1 ZINC000740187720 578084736 /nfs/dbraw/zinc/08/47/36/578084736.db2.gz QQKFLYDLVKGFAC-UHFFFAOYSA-N -2 0 339.373 2.480 20 0 EEADRL O=C([O-])c1ccnc(NC(=O)c2nn(-c3ccccc3F)cc2[O-])c1 ZINC000740249272 578087447 /nfs/dbraw/zinc/08/74/47/578087447.db2.gz VACPRZHNSXNPSU-UHFFFAOYSA-N -2 0 342.286 2.063 20 0 EEADRL CC(C)C[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000736403520 578201369 /nfs/dbraw/zinc/20/13/69/578201369.db2.gz GYJYMWYKPDALCW-LBPRGKRZSA-N -2 0 341.429 2.403 20 0 EEADRL CC(C)n1cc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)cn1 ZINC000736533383 578209822 /nfs/dbraw/zinc/20/98/22/578209822.db2.gz XBDUKGSCFJUGMQ-UHFFFAOYSA-N -2 0 337.401 2.282 20 0 EEADRL CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)cc1 ZINC000736892521 578228356 /nfs/dbraw/zinc/22/83/56/578228356.db2.gz UZZYHRZSVMCSGL-NSHDSACASA-N -2 0 337.401 2.282 20 0 EEADRL CCCn1nccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000737051296 578235309 /nfs/dbraw/zinc/23/53/09/578235309.db2.gz QIKAQBGWLFTVPN-UHFFFAOYSA-N -2 0 343.792 2.446 20 0 EEADRL Cc1nc([N-]S(=O)(=O)Cc2ccc(F)cc2)sc1C(=O)[O-] ZINC000738865513 578244559 /nfs/dbraw/zinc/24/45/59/578244559.db2.gz QUUNLSNBJKLLKK-UHFFFAOYSA-N -2 0 330.362 2.231 20 0 EEADRL CCc1ccc([C@H](C)CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1 ZINC000737257884 578246556 /nfs/dbraw/zinc/24/65/56/578246556.db2.gz RSQKXPSHONHAEH-GFCCVEGCSA-N -2 0 341.429 2.053 20 0 EEADRL CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)ccc1C ZINC000319980020 599737439 /nfs/dbraw/zinc/73/74/39/599737439.db2.gz FMILVYNRHGLXHG-UHFFFAOYSA-N -2 0 338.341 2.045 20 0 EEADRL O=C([O-])c1coc(C(=O)COC(=O)c2c(F)cc([O-])cc2F)c1 ZINC000833339198 601189498 /nfs/dbraw/zinc/18/94/98/601189498.db2.gz HGLZKKUYLNERLI-UHFFFAOYSA-N -2 0 326.207 2.001 20 0 EEADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cccc2ccncc21 ZINC000833346527 601492635 /nfs/dbraw/zinc/49/26/35/601492635.db2.gz RCGFAKCAWKMPAA-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cnc1Cl ZINC000161015889 601576726 /nfs/dbraw/zinc/57/67/26/601576726.db2.gz ODVVDPLQJOIFKU-UHFFFAOYSA-N -2 0 340.788 2.471 20 0 EEADRL CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n[nH]1 ZINC000829217052 602102569 /nfs/dbraw/zinc/10/25/69/602102569.db2.gz XRCHVHSOPQKHAV-MRVPVSSYSA-N -2 0 326.378 2.140 20 0 EEADRL CC1(C)CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000833560433 604604992 /nfs/dbraw/zinc/60/49/92/604604992.db2.gz FDURFAOJPXUBCW-SECBINFHSA-N -2 0 345.442 2.468 20 0 EEADRL Cc1sc([N-]S(=O)(=O)c2ncn(C)c2Cl)c(C(=O)[O-])c1C ZINC000833757902 605022756 /nfs/dbraw/zinc/02/27/56/605022756.db2.gz BRZJGEHGRUEZRG-UHFFFAOYSA-N -2 0 349.821 2.251 20 0 EEADRL CN1CCCc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)ccc21 ZINC000833698161 605183694 /nfs/dbraw/zinc/18/36/94/605183694.db2.gz YOZAKANGGIWWAQ-UHFFFAOYSA-N -2 0 336.369 2.161 20 0 EEADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000047417673 681989321 /nfs/dbraw/zinc/98/93/21/681989321.db2.gz VMHNNLNXYQWGJT-UHFFFAOYSA-N -2 0 340.288 2.233 20 0 EEADRL Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000013091782 683665373 /nfs/dbraw/zinc/66/53/73/683665373.db2.gz WOUAWVUKFPIACV-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2c(cnn2C)c1 ZINC001185905419 1278839333 /nfs/dbraw/zinc/83/93/33/1278839333.db2.gz UZEADEBDQYLUQK-UHFFFAOYSA-N -2 0 345.380 2.381 20 0 EEADRL Cc1cnc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)n1 ZINC001187540070 1279577403 /nfs/dbraw/zinc/57/74/03/1279577403.db2.gz JZXZONBIQDEKCL-UHFFFAOYSA-N -2 0 341.776 2.246 20 0 EEADRL CC(C)(C)c1ccc(NC(=S)NCCOP(=O)([O-])[O-])cc1 ZINC001198503914 1285190494 /nfs/dbraw/zinc/19/04/94/1285190494.db2.gz NEZWILIOJBGAPS-UHFFFAOYSA-N -2 0 332.362 2.380 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)no1 ZINC001198738612 1285312168 /nfs/dbraw/zinc/31/21/68/1285312168.db2.gz BBUKVGNQPACHCA-UHFFFAOYSA-N -2 0 336.247 2.192 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cccc2c1C(=O)CC2 ZINC001198783049 1285330172 /nfs/dbraw/zinc/33/01/72/1285330172.db2.gz VZKRBJMVYVCZLQ-UHFFFAOYSA-N -2 0 331.349 2.315 20 0 EEADRL O=c1nc2cc(-c3nc(-c4cccn5ccnc45)no3)ccc2c([O-])[n-]1 ZINC001217431836 1297435065 /nfs/dbraw/zinc/43/50/65/1297435065.db2.gz AAERDWZTJHQFFB-UHFFFAOYSA-N -2 0 346.306 2.406 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(=O)n(CC3CCC3)n2)c1 ZINC001242163652 1309624985 /nfs/dbraw/zinc/62/49/85/1309624985.db2.gz DVNPXRUFYHKUGL-UHFFFAOYSA-N -2 0 328.324 2.107 20 0 EEADRL CCOC(=O)c1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cnc1F ZINC001242163853 1309625217 /nfs/dbraw/zinc/62/52/17/1309625217.db2.gz OUHRUUPIXKFSGM-UHFFFAOYSA-N -2 0 333.271 2.461 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cc(O[C@@H]3CCOC3)ccn2)c1 ZINC001242163979 1309625507 /nfs/dbraw/zinc/62/55/07/1309625507.db2.gz VRQHSJOSZRSSEC-CQSZACIVSA-N -2 0 329.308 2.313 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccn(-c3ccccn3)c2=O)c1 ZINC001242163768 1309625529 /nfs/dbraw/zinc/62/55/29/1309625529.db2.gz KHXYKSNYNUZUAP-UHFFFAOYSA-N -2 0 336.303 2.296 20 0 EEADRL O=S(=O)([N-]c1ncccc1CO)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260869542 1319992979 /nfs/dbraw/zinc/99/29/79/1319992979.db2.gz WQZLPBBXIXEJCN-UHFFFAOYSA-N -2 0 349.195 2.387 20 0 EEADRL O=S(=O)([O-])c1ccc([O-])c(-c2nnc(-c3ccc(F)cc3)o2)c1 ZINC001252170344 1317562046 /nfs/dbraw/zinc/56/20/46/1317562046.db2.gz LNKPTJCYWZMXOG-UHFFFAOYSA-N -2 0 336.300 2.495 20 0 EEADRL COC(=O)c1c(F)ccc(-c2ccc(P(=O)([O-])[O-])cc2)c1F ZINC001204746559 1322219634 /nfs/dbraw/zinc/21/96/34/1322219634.db2.gz TVLOFQRBQRCTRH-UHFFFAOYSA-N -2 0 328.207 2.221 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cc(C3CC3)nn2C)cccc1C(=O)[O-] ZINC001600055604 1349963148 /nfs/dbraw/zinc/96/31/48/1349963148.db2.gz YBYNFRVXOBPEKR-UHFFFAOYSA-N -2 0 335.385 2.105 20 0 EEADRL CCc1nc([N-]S(=O)(=O)c2cccc(OC)c2)sc1C(=O)[O-] ZINC001605855694 1351237860 /nfs/dbraw/zinc/23/78/60/1351237860.db2.gz DQZNTCGCBKOCIQ-UHFFFAOYSA-N -2 0 342.398 2.213 20 0 EEADRL O=C([O-])[C@H](Cc1ccccc1O)NC(=O)c1ccc([O-])c(Cl)c1 ZINC001608402601 1351688125 /nfs/dbraw/zinc/68/81/25/1351688125.db2.gz VHSWCUXSMAWSEX-LBPRGKRZSA-N -2 0 335.743 2.177 20 0 EEADRL O=C([O-])CN(C(=O)c1ncc(Br)cc1[O-])C1CCCC1 ZINC001608744084 1351754312 /nfs/dbraw/zinc/75/43/12/1351754312.db2.gz YEWPQLOFVTZAPR-UHFFFAOYSA-N -2 0 343.177 2.019 20 0 EEADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2noc3ccccc32)cc1 ZINC001608783351 1351762091 /nfs/dbraw/zinc/76/20/91/1351762091.db2.gz KXVCALQTOWVVRO-UHFFFAOYSA-N -2 0 332.337 2.256 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)/C=C\c2ccccc2Cl)nn1 ZINC001608905136 1351790812 /nfs/dbraw/zinc/79/08/12/1351790812.db2.gz BKTRCWKSOMZWIM-FPLPWBNLSA-N -2 0 339.760 2.241 20 0 EEADRL CC(C)(C)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)nn1 ZINC001609670420 1352054684 /nfs/dbraw/zinc/05/46/84/1352054684.db2.gz QKVNQZPGXFDPFZ-UHFFFAOYSA-N -2 0 341.414 2.335 20 0 EEADRL CC(C)[C@H]([N-]S(=O)(=O)CC1(C(=O)[O-])CCCC1)C(F)(F)F ZINC001609717568 1352067843 /nfs/dbraw/zinc/06/78/43/1352067843.db2.gz VSJKAPNDURGNEM-VIFPVBQESA-N -2 0 331.356 2.138 20 0 EEADRL C[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C1 ZINC001609852622 1352102227 /nfs/dbraw/zinc/10/22/27/1352102227.db2.gz OSXSOJYBDMTFHE-WCQYABFASA-N -2 0 339.413 2.157 20 0 EEADRL CCOCc1ccc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)cc1 ZINC001610036689 1352146915 /nfs/dbraw/zinc/14/69/15/1352146915.db2.gz AIXASMAKPAYUFC-UHFFFAOYSA-N -2 0 336.369 2.117 20 0 EEADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc2c(n1)CCC2 ZINC001610807177 1352278226 /nfs/dbraw/zinc/27/82/26/1352278226.db2.gz PVUJYCQZQLRWBB-UHFFFAOYSA-N -2 0 336.344 2.208 20 0 EEADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cccc2c[nH]nc21 ZINC001610806709 1352278321 /nfs/dbraw/zinc/27/83/21/1352278321.db2.gz JIATUZBPDXAFTD-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)c1ccc(C)c(C)c1 ZINC001600342620 1350024709 /nfs/dbraw/zinc/02/47/09/1350024709.db2.gz UQDGRQGUMKUBTB-UHFFFAOYSA-N -2 0 337.353 2.022 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1noc2c1CCCC2 ZINC001600365056 1350031034 /nfs/dbraw/zinc/03/10/34/1350031034.db2.gz XFPNOGWIJKQTAJ-UHFFFAOYSA-N -2 0 336.369 2.361 20 0 EEADRL Cc1ncc([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])s1 ZINC001600742318 1350126307 /nfs/dbraw/zinc/12/63/07/1350126307.db2.gz QTCPYTVJWJNYEU-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc3c(n2)CCC3)c1C(=O)[O-] ZINC001600838743 1350148578 /nfs/dbraw/zinc/14/85/78/1350148578.db2.gz PHDBFFVZOBHLBW-UHFFFAOYSA-N -2 0 336.369 2.279 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2ccnn2CCC(C)C)cc1C(=O)[O-] ZINC001600856561 1350153402 /nfs/dbraw/zinc/15/34/02/1350153402.db2.gz DXGWOADWLGITIA-UHFFFAOYSA-N -2 0 341.389 2.330 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)CC2CCC2)cc1Cl ZINC001601253123 1350241839 /nfs/dbraw/zinc/24/18/39/1350241839.db2.gz XVPNUGZLABDXHG-UHFFFAOYSA-N -2 0 331.777 2.033 20 0 EEADRL O=C([O-])CN(C(=O)CSc1n[n-]c(=S)s1)C1CCCCC1 ZINC001602050763 1350427017 /nfs/dbraw/zinc/42/70/17/1350427017.db2.gz MFKGIKKIKMVFDJ-UHFFFAOYSA-N -2 0 347.487 2.165 20 0 EEADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccnn2CC2CCC2)c1 ZINC001602447057 1350521394 /nfs/dbraw/zinc/52/13/94/1350521394.db2.gz KULBVSAQFHGQQB-UHFFFAOYSA-N -2 0 335.385 2.182 20 0 EEADRL C/C(=C/C1CCC(C)CC1)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC001602960058 1350611664 /nfs/dbraw/zinc/61/16/64/1350611664.db2.gz MIGGDDHLZFGENE-BENRWUELSA-N -2 0 331.434 2.070 20 0 EEADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc2ccccc2c1 ZINC001603188995 1350659269 /nfs/dbraw/zinc/65/92/69/1350659269.db2.gz PUXMKYZVRGWJBV-QWRGUYRKSA-N -2 0 335.381 2.009 20 0 EEADRL C[C@@]1(C(=O)[O-])CCN(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC001604499214 1350949407 /nfs/dbraw/zinc/94/94/07/1350949407.db2.gz YINZIJVEQSIGEL-CQSZACIVSA-N -2 0 326.736 2.367 20 0 EEADRL CC1(C)CC(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC001604512875 1350952957 /nfs/dbraw/zinc/95/29/57/1350952957.db2.gz CQABPYRUPUYKTJ-UHFFFAOYSA-N -2 0 345.804 2.279 20 0 EEADRL C[C@H]1CCC[C@H]1CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001604727034 1350992166 /nfs/dbraw/zinc/99/21/66/1350992166.db2.gz UEFXUAHUJULQIY-IUCAKERBSA-N -2 0 331.415 2.078 20 0 EEADRL CCC[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001605206934 1351103220 /nfs/dbraw/zinc/10/32/20/1351103220.db2.gz QMHZGFNBQTZOTP-NSHDSACASA-N -2 0 327.402 2.157 20 0 EEADRL COc1ccc(NC(=O)c2ccc(Cl)cc2[O-])cc1-c1nn[nH]n1 ZINC001605296882 1351128176 /nfs/dbraw/zinc/12/81/76/1351128176.db2.gz GWDITZDXULESRG-UHFFFAOYSA-N -2 0 345.746 2.487 20 0 EEADRL CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H](C)S[C@H](C)C(=O)[O-] ZINC001605790779 1351223729 /nfs/dbraw/zinc/22/37/29/1351223729.db2.gz YKOZLIJDHSSXNJ-DTWKUNHWSA-N -2 0 325.386 2.481 20 0 EEADRL COc1cc(S(=O)(=O)[N-]c2cccc(C)c2O)ccc1C(=O)[O-] ZINC001607189471 1351446028 /nfs/dbraw/zinc/44/60/28/1351446028.db2.gz CEIHXGBUYQIXSA-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1csnc1C(=O)[O-] ZINC001607265096 1351461406 /nfs/dbraw/zinc/46/14/06/1351461406.db2.gz MGSMIIYTUPASAP-UHFFFAOYSA-N -2 0 348.789 2.304 20 0 EEADRL COc1ccc2c(c1)[nH]nc2[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001607293114 1351466307 /nfs/dbraw/zinc/46/63/07/1351466307.db2.gz NMRHLTPCIWAOSX-UHFFFAOYSA-N -2 0 347.352 2.071 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2cc(O)c(C)cc2C)cc1C(=O)[O-] ZINC001607620669 1351526540 /nfs/dbraw/zinc/52/65/40/1351526540.db2.gz GNUHISWATNJLCE-UHFFFAOYSA-N -2 0 325.342 2.409 20 0 EEADRL Cc1ccc(C)n1-c1nc(CC(=O)[N-]OCCCC(=O)[O-])cs1 ZINC001607765419 1351554066 /nfs/dbraw/zinc/55/40/66/1351554066.db2.gz FBEZAAZIDMINQN-UHFFFAOYSA-N -2 0 337.401 2.006 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cnc3ccccc3n2)c1C(=O)[O-] ZINC001608043639 1351612559 /nfs/dbraw/zinc/61/25/59/1351612559.db2.gz YUFRNKYGWBBTBU-UHFFFAOYSA-N -2 0 347.352 2.339 20 0 EEADRL CCCN(CC(F)(F)F)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000906821614 784197060 /nfs/dbraw/zinc/19/70/60/784197060.db2.gz YJURMILJXLAMIU-UHFFFAOYSA-N -2 0 341.307 2.053 20 0 EEADRL CC(C)Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])s1 ZINC000907732234 784833041 /nfs/dbraw/zinc/83/30/41/784833041.db2.gz UFKXEVARYPGXMX-JQWIXIFHSA-N -2 0 339.413 2.337 20 0 EEADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)N3CCCC[C@@H]3C(=O)[O-])n2)c1 ZINC000908658947 785612863 /nfs/dbraw/zinc/61/28/63/785612863.db2.gz IWEHDAAENDLCER-GFCCVEGCSA-N -2 0 347.346 2.105 20 0 EEADRL CCOc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)cc(Cl)c1O ZINC000909799960 786236243 /nfs/dbraw/zinc/23/62/43/786236243.db2.gz QGCGQBFHRUNRPI-SCZZXKLOSA-N -2 0 327.764 2.380 20 0 EEADRL C[C@@H]1CCN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])[C@H](C(=O)[O-])C1 ZINC000909780779 786241906 /nfs/dbraw/zinc/24/19/06/786241906.db2.gz SFVITVKTMOHWAL-MFKMUULPSA-N -2 0 347.346 2.042 20 0 EEADRL CC1(C)CCCC[C@@H]1CC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910182422 786514792 /nfs/dbraw/zinc/51/47/92/786514792.db2.gz HXNWPGZNXUXTON-XQQFMLRXSA-N -2 0 325.405 2.369 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc3ccccc3c2)C1 ZINC000910185769 786517739 /nfs/dbraw/zinc/51/77/39/786517739.db2.gz LCSLEKRLNHLZAN-GJZGRUSLSA-N -2 0 327.336 2.230 20 0 EEADRL CC[C@H](CC1CCCC1)C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910188248 786520316 /nfs/dbraw/zinc/52/03/16/786520316.db2.gz KJDHTBYUANMWGZ-MCIONIFRSA-N -2 0 325.405 2.369 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2csc3ccccc23)C1 ZINC000910190522 786522715 /nfs/dbraw/zinc/52/27/15/786522715.db2.gz XCWKLSHGXDOBRB-BXKDBHETSA-N -2 0 333.365 2.291 20 0 EEADRL C[C@H](CC[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000844784545 789372126 /nfs/dbraw/zinc/37/21/26/789372126.db2.gz GCDNINHODFOKCA-ZCFIWIBFSA-N -2 0 327.736 2.007 20 0 EEADRL CNC(=O)c1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1F ZINC001176244556 798393020 /nfs/dbraw/zinc/39/30/20/798393020.db2.gz MATYGXMWIGJQCO-UHFFFAOYSA-N -2 0 332.287 2.325 20 0 EEADRL COC(=O)c1ccc(O)cc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176245167 798393084 /nfs/dbraw/zinc/39/30/84/798393084.db2.gz VTAVZVFICWROCU-UHFFFAOYSA-N -2 0 331.280 2.319 20 0 EEADRL O=C(NCCOP(=O)([O-])[O-])C1(Cc2ccccc2)CCCCC1 ZINC001182218333 801074270 /nfs/dbraw/zinc/07/42/70/801074270.db2.gz MDOYNZAPIDYBAY-UHFFFAOYSA-N -2 0 341.344 2.405 20 0 EEADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)c1 ZINC000390004521 972260427 /nfs/dbraw/zinc/26/04/27/972260427.db2.gz LFVNAJNTEXTDTM-UHFFFAOYSA-N -2 0 339.344 2.398 20 0 EEADRL O=C([O-])c1cncc(NC(=O)c2cnc3c(F)cc(F)cc3c2O)c1 ZINC001606545403 970311073 /nfs/dbraw/zinc/31/10/73/970311073.db2.gz YMVMBCXAVZDAHW-UHFFFAOYSA-N -2 0 345.261 2.152 20 0 EEADRL COc1cccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1O ZINC000778568463 978782747 /nfs/dbraw/zinc/78/27/47/978782747.db2.gz WAUSCDQRFXHZIT-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cnn(CC3CC3)c2)cc(C(=O)[O-])c1 ZINC000795366316 978831965 /nfs/dbraw/zinc/83/19/65/978831965.db2.gz QWZFTDFUOJMGHD-UHFFFAOYSA-N -2 0 335.385 2.101 20 0 EEADRL CCC[C@@](C)(CC)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001595542667 981404236 /nfs/dbraw/zinc/40/42/36/981404236.db2.gz XBLOTTSAVSFRLE-OAHLLOKOSA-N -2 0 327.402 2.406 20 0 EEADRL CCC[C@H](C)c1cc([N-]S(=O)(=O)c2scnc2C(=O)[O-])n[nH]1 ZINC001595579019 981504195 /nfs/dbraw/zinc/50/41/95/981504195.db2.gz KCHFAOGKWSDDKU-ZETCQYMHSA-N -2 0 344.418 2.269 20 0 EEADRL CCCCS[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001595785852 982572373 /nfs/dbraw/zinc/57/23/73/982572373.db2.gz IURZTLNYKHJKEF-SECBINFHSA-N -2 0 349.430 2.013 20 0 EEADRL CCCN(C(=O)c1cccc(Br)c1[O-])[C@@H](C)C(=O)[O-] ZINC001595830404 982718255 /nfs/dbraw/zinc/71/82/55/982718255.db2.gz QFMCTKJPRVQQQX-QMMMGPOBSA-N -2 0 330.178 2.480 20 0 EEADRL Cc1[nH]c(C(=O)[O-])cc1C([O-])=CS(=O)(=O)[C@@H]1CCc2ccccc21 ZINC001599961645 985792136 /nfs/dbraw/zinc/79/21/36/985792136.db2.gz WDHSYSIQDXURDP-MRXNPFEDSA-N -2 0 347.392 2.306 20 0 EEADRL CCc1ccccc1S(=O)(=O)[N-]c1ccn(C(C)(C)C(=O)[O-])n1 ZINC001597621650 988551679 /nfs/dbraw/zinc/55/16/79/988551679.db2.gz PBPUZWSSNORDOV-UHFFFAOYSA-N -2 0 337.401 2.066 20 0 EEADRL CCn1nccc1[N-]S(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C ZINC001597967987 990010360 /nfs/dbraw/zinc/01/03/60/990010360.db2.gz KMFWPTZZNONQCD-UHFFFAOYSA-N -2 0 349.821 2.425 20 0 EEADRL CC(C)([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1)C(F)(F)F ZINC001590879118 990790291 /nfs/dbraw/zinc/79/02/91/990790291.db2.gz LAKVJWBJNWFTLA-UHFFFAOYSA-N -2 0 335.687 2.250 20 0 EEADRL CN(Cc1n[n-]c(=O)o1)[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001598536325 992843148 /nfs/dbraw/zinc/84/31/48/992843148.db2.gz DJSBLJDOEZXJPG-JTQLQIEISA-N -2 0 331.250 2.052 20 0 EEADRL COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)C(F)(F)C(F)F)c1 ZINC001599648692 994461994 /nfs/dbraw/zinc/46/19/94/994461994.db2.gz BFEBGAWJTZYQRD-CYBMUJFWSA-N -2 0 337.269 2.402 20 0 EEADRL CC1(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)CCCCC1 ZINC001593755888 996405041 /nfs/dbraw/zinc/40/50/41/996405041.db2.gz ZCGDBEPMMIXOLU-UHFFFAOYSA-N -2 0 331.415 2.222 20 0 EEADRL C[C@]1(C(=O)[O-])CCCN(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)C1 ZINC001593768636 996454088 /nfs/dbraw/zinc/45/40/88/996454088.db2.gz ODJUXQLDXJZTCX-IYOUNJFTSA-N -2 0 346.383 2.196 20 0 EEADRL CC1(C)CCC(C(=O)N2C[C@@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)CC1 ZINC001593871559 996684683 /nfs/dbraw/zinc/68/46/83/996684683.db2.gz YMLQANQDJUKWGE-XYEKJYRLSA-N -2 0 337.416 2.227 20 0 EEADRL CC1(C)CCC(CC(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001593875854 996695236 /nfs/dbraw/zinc/69/52/36/996695236.db2.gz GBCWSVGGAAWSSK-UHFFFAOYSA-N -2 0 343.401 2.389 20 0 EEADRL COc1cc(F)cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC001599426147 997678565 /nfs/dbraw/zinc/67/85/65/997678565.db2.gz ZBVNCXFDFHVCKV-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL C[C@H]1CCCC[C@H]1CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001594364270 999376422 /nfs/dbraw/zinc/37/64/22/999376422.db2.gz XFVVOHIGCNNFDT-UWVGGRQHSA-N -2 0 345.442 2.468 20 0 EEADRL O=C([O-])[C@@H](CF)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC001608534644 1124100588 /nfs/dbraw/zinc/10/05/88/1124100588.db2.gz SPXQRECQYFJCGO-SSDOTTSWSA-N -2 0 337.781 2.256 20 0 EEADRL O=C([O-])C[C@@H](NC(=O)c1ccc2n[nH]nc2c1)c1ccc(F)cc1 ZINC000117107092 152070904 /nfs/dbraw/zinc/07/09/04/152070904.db2.gz KCUCNZDIRMSUJC-CYBMUJFWSA-N -2 0 328.303 2.043 20 0 EEADRL CCOc1ncccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000320501597 160536199 /nfs/dbraw/zinc/53/61/99/160536199.db2.gz WUGSXGHZSSCQQE-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL O=C([O-])c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000360191116 164254915 /nfs/dbraw/zinc/25/49/15/164254915.db2.gz YHMKOZUYBJGEJK-UHFFFAOYSA-N -2 0 339.300 2.023 20 0 EEADRL O=C([O-])c1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccoc1 ZINC000285056247 274672039 /nfs/dbraw/zinc/67/20/39/274672039.db2.gz JWALZZDMCFMAKJ-UHFFFAOYSA-N -2 0 336.369 2.379 20 0 EEADRL O=C([O-])C1(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)CCCC1 ZINC000316791311 311591342 /nfs/dbraw/zinc/59/13/42/311591342.db2.gz GPDRYDWGJNANML-UHFFFAOYSA-N -2 0 337.319 2.027 20 0 EEADRL Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000436166915 314946357 /nfs/dbraw/zinc/94/63/57/314946357.db2.gz DXHSIVPKMSGXBP-UHFFFAOYSA-N -2 0 333.369 2.314 20 0 EEADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](C(=O)[O-])C1(C)CCCCC1 ZINC000548028435 318347056 /nfs/dbraw/zinc/34/70/56/318347056.db2.gz ZCWHRVFHTIFEMK-IUCAKERBSA-N -2 0 331.356 2.280 20 0 EEADRL O=C([O-])[C@H]1CCN(C(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000567863236 319427609 /nfs/dbraw/zinc/42/76/09/319427609.db2.gz GEQOAAZHLOGCGB-LURJTMIESA-N -2 0 348.580 2.355 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cn(C)c(C(C)C)n2)ccc1C(=O)[O-] ZINC000577345879 320249845 /nfs/dbraw/zinc/24/98/45/320249845.db2.gz YMXFJOQMCUBDCY-UHFFFAOYSA-N -2 0 337.401 2.351 20 0 EEADRL CCc1noc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000339077658 465069911 /nfs/dbraw/zinc/06/99/11/465069911.db2.gz SUEXYBCCUNNNSV-UHFFFAOYSA-N -2 0 328.321 2.184 20 0 EEADRL COC(=O)c1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000336877192 465070103 /nfs/dbraw/zinc/07/01/03/465070103.db2.gz NPEXOGPLUGBIKN-UHFFFAOYSA-N -2 0 349.364 2.281 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)c1 ZINC000045712929 462609555 /nfs/dbraw/zinc/60/95/55/462609555.db2.gz TXXKXENCKVKWLU-UHFFFAOYSA-N -2 0 343.364 2.371 20 0 EEADRL Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000270109806 464188753 /nfs/dbraw/zinc/18/87/53/464188753.db2.gz YYPBXUSWNRMUBC-UHFFFAOYSA-N -2 0 337.401 2.153 20 0 EEADRL Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)s1 ZINC000176517682 464792000 /nfs/dbraw/zinc/79/20/00/464792000.db2.gz CYTCLPIFSLEYQQ-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL Cc1cccc([N-]S(=O)(=O)c2cccc3c2OCO3)c1C(=O)[O-] ZINC000337768740 465567522 /nfs/dbraw/zinc/56/75/22/465567522.db2.gz UNLRQKYAVJTECN-UHFFFAOYSA-N -2 0 335.337 2.223 20 0 EEADRL COc1ccsc1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-] ZINC000348472664 465623335 /nfs/dbraw/zinc/62/33/35/465623335.db2.gz GRRMCVXPNRWBNW-UHFFFAOYSA-N -2 0 331.346 2.395 20 0 EEADRL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000350740605 466593553 /nfs/dbraw/zinc/59/35/53/466593553.db2.gz FMTDDWUSAWTNST-UHFFFAOYSA-N -2 0 337.329 2.216 20 0 EEADRL COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000319160881 466594655 /nfs/dbraw/zinc/59/46/55/466594655.db2.gz MBWVOJZLLLUYCL-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)c1 ZINC000319667090 466597617 /nfs/dbraw/zinc/59/76/17/466597617.db2.gz GLEAXNJXTRTGNT-UHFFFAOYSA-N -2 0 335.337 2.094 20 0 EEADRL Cc1ccc(F)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000319919289 466601201 /nfs/dbraw/zinc/60/12/01/466601201.db2.gz ADKUFSFEERUHOZ-AWEZNQCLSA-N -2 0 337.372 2.108 20 0 EEADRL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3cncc(F)c3)ccc12 ZINC000347385603 466603849 /nfs/dbraw/zinc/60/38/49/466603849.db2.gz DAPJDIYGJTUNFC-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL Cc1ccc(S(=O)(=O)NCCc2cccc(C(=O)[O-])c2)c(F)c1 ZINC000404990494 467478910 /nfs/dbraw/zinc/47/89/10/467478910.db2.gz BOCILWBNPLJPNJ-UHFFFAOYSA-N -2 0 337.372 2.353 20 0 EEADRL O=C([O-])CCc1nnc([N-]C(=O)c2cc(-c3ccco3)on2)s1 ZINC000739777263 578067512 /nfs/dbraw/zinc/06/75/12/578067512.db2.gz MDZNMPNMCNQCMT-UHFFFAOYSA-N -2 0 334.313 2.056 20 0 EEADRL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000737203596 578243451 /nfs/dbraw/zinc/24/34/51/578243451.db2.gz MWQWVYIIMGBXCX-UHFFFAOYSA-N -2 0 341.341 2.186 20 0 EEADRL COCc1csc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n1 ZINC000831827222 600830100 /nfs/dbraw/zinc/83/01/00/600830100.db2.gz RYQWMCNEZHYRKF-UHFFFAOYSA-N -2 0 342.398 2.097 20 0 EEADRL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000827948305 601239835 /nfs/dbraw/zinc/23/98/35/601239835.db2.gz COOVFPZLOSDHRF-KWCYVHTRSA-N -2 0 339.413 2.085 20 0 EEADRL CCC1(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CCCC1 ZINC000829033691 601770048 /nfs/dbraw/zinc/77/00/48/601770048.db2.gz SZEZPZWQELRKPM-UHFFFAOYSA-N -2 0 339.413 2.301 20 0 EEADRL Cn1cc([N-]S(=O)(=O)c2ccccc2OC(F)F)cc1C(=O)[O-] ZINC000833053466 601783843 /nfs/dbraw/zinc/78/38/43/601783843.db2.gz UZMSOGZUICKXHW-UHFFFAOYSA-N -2 0 346.311 2.126 20 0 EEADRL Cn1ccc2ccc([N-]S(=O)(=O)c3csnc3C(=O)[O-])cc21 ZINC000833055605 601838182 /nfs/dbraw/zinc/83/81/82/601838182.db2.gz GWDLCVKLQJLVBL-UHFFFAOYSA-N -2 0 337.382 2.134 20 0 EEADRL CC(C)CC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000826759553 601843072 /nfs/dbraw/zinc/84/30/72/601843072.db2.gz IRHBTTIWMBWGRT-UHFFFAOYSA-N -2 0 341.429 2.403 20 0 EEADRL Cc1nn(C)c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1C ZINC000833014222 601843869 /nfs/dbraw/zinc/84/38/69/601843869.db2.gz LGQIGVJONQQWHC-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1csnc1C(=O)[O-] ZINC000832960135 602155837 /nfs/dbraw/zinc/15/58/37/602155837.db2.gz MYEPQBYSFDYENS-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL O=C([O-])NCCC(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000832599459 604117814 /nfs/dbraw/zinc/11/78/14/604117814.db2.gz PGWGQAYTCLNMAD-UHFFFAOYSA-N -2 0 337.557 2.404 20 0 EEADRL O=C([O-])CCc1csc(NC(=O)c2c([O-])cc(F)cc2F)n1 ZINC000833240780 604726901 /nfs/dbraw/zinc/72/69/01/604726901.db2.gz PAOBOTFTVXXZPX-UHFFFAOYSA-N -2 0 328.296 2.396 20 0 EEADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])n[nH]1 ZINC000833450274 604747273 /nfs/dbraw/zinc/74/72/73/604747273.db2.gz MFSCHNXSFWKCIZ-UHFFFAOYSA-N -2 0 341.364 2.345 20 0 EEADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)/C=C\c2ccccc2)cc1F ZINC000833148456 604879792 /nfs/dbraw/zinc/87/97/92/604879792.db2.gz JZDHCOUZLVTTMX-HJWRWDBZSA-N -2 0 349.339 2.254 20 0 EEADRL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)s1 ZINC000833448995 604927829 /nfs/dbraw/zinc/92/78/29/604927829.db2.gz DOTDQTZJUQRUDT-UHFFFAOYSA-N -2 0 343.430 2.128 20 0 EEADRL CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833423199 605118178 /nfs/dbraw/zinc/11/81/78/605118178.db2.gz RNGZTOAVINGGAG-UHFFFAOYSA-N -2 0 333.793 2.279 20 0 EEADRL CCCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cn1 ZINC000160236698 674743589 /nfs/dbraw/zinc/74/35/89/674743589.db2.gz CYFGKTUCRLUAGH-UHFFFAOYSA-N -2 0 345.327 2.070 20 0 EEADRL CC(C)(C)c1nsc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])n1 ZINC001198739447 1285311921 /nfs/dbraw/zinc/31/19/21/1285311921.db2.gz SXTKOBZIDKINNR-UHFFFAOYSA-N -2 0 341.414 2.335 20 0 EEADRL CCOC(=O)c1nonc1[N-]c1ccc(Cl)c(C(=O)[O-])c1F ZINC001215694418 1296972603 /nfs/dbraw/zinc/97/26/03/1296972603.db2.gz CUMWBOHITYCFBP-UHFFFAOYSA-N -2 0 329.671 2.481 20 0 EEADRL O=S(=O)([O-])c1ccc2c(cccc2[N-]S(=O)(=O)C(F)F)c1 ZINC001259958084 1319754495 /nfs/dbraw/zinc/75/44/95/1319754495.db2.gz RZMPLCCXAABRFT-UHFFFAOYSA-N -2 0 337.325 2.051 20 0 EEADRL Cc1ccc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 ZINC001260210048 1319832796 /nfs/dbraw/zinc/83/27/96/1319832796.db2.gz NXKMYKYMGLJQIH-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cccc3cnoc32)c1 ZINC001260216684 1319834025 /nfs/dbraw/zinc/83/40/25/1319834025.db2.gz VYLKZDPZTSDVEN-UHFFFAOYSA-N -2 0 336.300 2.466 20 0 EEADRL COc1cccc(O)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260215974 1319834546 /nfs/dbraw/zinc/83/45/46/1319834546.db2.gz KODSLRHYRVQLKV-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CC3)c1 ZINC001260214598 1319834577 /nfs/dbraw/zinc/83/45/77/1319834577.db2.gz IALMDWBNINICRH-UHFFFAOYSA-N -2 0 349.339 2.454 20 0 EEADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc([O-])c(F)c(F)c2)cc1 ZINC001260239217 1319844143 /nfs/dbraw/zinc/84/41/43/1319844143.db2.gz KOEPIZHHZJGMPC-UHFFFAOYSA-N -2 0 343.307 2.258 20 0 EEADRL COc1c(F)cccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260392361 1319881263 /nfs/dbraw/zinc/88/12/63/1319881263.db2.gz KJAOXWHAECKTRV-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL CC(C)(C)[C@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cn[nH]c2)cc1 ZINC001260961267 1321988590 /nfs/dbraw/zinc/98/85/90/1321988590.db2.gz NGSMSNZFVRKHSM-ZDUSSCGKSA-N -2 0 337.401 2.425 20 0 EEADRL O=C([O-])C[C@H](NC(=O)c1cc(Br)cc(F)c1[O-])C1CC1 ZINC001601903577 1350393640 /nfs/dbraw/zinc/39/36/40/1350393640.db2.gz CRKWUBGEMLXJFE-JTQLQIEISA-N -2 0 346.152 2.277 20 0 EEADRL O=C([O-])c1ccc(N2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)nc1 ZINC001602373627 1350506021 /nfs/dbraw/zinc/50/60/21/1350506021.db2.gz XQZQKHNUJCZQAC-QWHCGFSZSA-N -2 0 348.305 2.363 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCC3(CC3)C2)s1 ZINC001602396310 1350510075 /nfs/dbraw/zinc/51/00/75/1350510075.db2.gz RRAWNKCFLZYMCS-VIFPVBQESA-N -2 0 343.426 2.222 20 0 EEADRL CCCCCCC(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001605262255 1351118390 /nfs/dbraw/zinc/11/83/90/1351118390.db2.gz ZDUOZBXZCDETSL-UHFFFAOYSA-N -2 0 328.390 2.128 20 0 EEADRL O=C([O-])[C@@H]1CCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@H](C(=O)[O-])C1 ZINC001608632419 1351730022 /nfs/dbraw/zinc/73/00/22/1351730022.db2.gz SGDJENFJJCBGHG-HQJQHLMTSA-N -2 0 344.726 2.261 20 0 EEADRL O=C([O-])c1ccc2c(c1)CCN(C(=O)c1n[n-]c3ccccc3c1=O)C2 ZINC001608921241 1351794684 /nfs/dbraw/zinc/79/46/84/1351794684.db2.gz MFMIXELYOOKQTA-UHFFFAOYSA-N -2 0 349.346 2.232 20 0 EEADRL O=C([O-])c1cccc(CC(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1 ZINC001608929670 1351796630 /nfs/dbraw/zinc/79/66/30/1351796630.db2.gz GRDFRRNYXSRXDI-SNPRPXQTSA-N -2 0 331.368 2.172 20 0 EEADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC001609639058 1352048270 /nfs/dbraw/zinc/04/82/70/1352048270.db2.gz QCPWUKJIRVHTNX-HTVCTNPSSA-N -2 0 345.461 2.148 20 0 EEADRL C[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-])C1CC1 ZINC001609726432 1352069871 /nfs/dbraw/zinc/06/98/71/1352069871.db2.gz BLISWFFWVFMPJC-MRVPVSSYSA-N -2 0 345.804 2.279 20 0 EEADRL C[C@H](CN(C)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)C(=O)[O-] ZINC001609741385 1352074160 /nfs/dbraw/zinc/07/41/60/1352074160.db2.gz UYUHVXCDLYMFTQ-ZCFIWIBFSA-N -2 0 332.715 2.362 20 0 EEADRL CC1(C(=O)[O-])CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC001609812669 1352092074 /nfs/dbraw/zinc/09/20/74/1352092074.db2.gz QUAJAQUXNLVAKO-UHFFFAOYSA-N -2 0 342.298 2.382 20 0 EEADRL CC[C@@H](c1ccc(F)cc1F)S(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001609938898 1352124004 /nfs/dbraw/zinc/12/40/04/1352124004.db2.gz JXDMXRWZEWZLQO-NSHDSACASA-N -2 0 330.312 2.311 20 0 EEADRL CC[C@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001609946250 1352126561 /nfs/dbraw/zinc/12/65/61/1352126561.db2.gz CJZADABGBDZKBB-FZMZJTMJSA-N -2 0 339.413 2.406 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc2nonc21 ZINC001610442207 1352222920 /nfs/dbraw/zinc/22/29/20/1352222920.db2.gz NPQUEQHHRVROTR-UHFFFAOYSA-N -2 0 333.325 2.030 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2ccn(C3CCCCC3)n2)c1 ZINC001610868076 1352288112 /nfs/dbraw/zinc/28/81/12/1352288112.db2.gz SQAMNHMLXUBHMV-UHFFFAOYSA-N -2 0 339.373 2.480 20 0 EEADRL Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)cc1C ZINC001600342685 1350024783 /nfs/dbraw/zinc/02/47/83/1350024783.db2.gz ZLNUOJLHBKETSO-UHFFFAOYSA-N -2 0 347.392 2.261 20 0 EEADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)NC(C)(C)CC(=O)[O-])n2)c1 ZINC001600427577 1350048718 /nfs/dbraw/zinc/04/87/18/1350048718.db2.gz XSRIUQSUEPMXHC-UHFFFAOYSA-N -2 0 335.335 2.009 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(CC(=O)[O-])c2)cc1C ZINC001600478517 1350061168 /nfs/dbraw/zinc/06/11/68/1350061168.db2.gz YHGKPBLXUCBFFG-UHFFFAOYSA-N -2 0 347.392 2.049 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2nccc3ccncc32)cc1C(=O)[O-] ZINC001600483750 1350062645 /nfs/dbraw/zinc/06/26/45/1350062645.db2.gz OHMCKMGUOUPIRU-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL Cc1nc(N(C)Cc2ccc(OCC(=O)[O-])cc2)sc1C(=O)[O-] ZINC001600708715 1350119206 /nfs/dbraw/zinc/11/92/06/1350119206.db2.gz RAAZXDUMNWGJJD-UHFFFAOYSA-N -2 0 336.369 2.250 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2ccc3c(n2)CCCC3)cc1C(=O)[O-] ZINC001600747725 1350127075 /nfs/dbraw/zinc/12/70/75/1350127075.db2.gz WSIQCKMTJYKOKG-UHFFFAOYSA-N -2 0 347.396 2.163 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001600834548 1350147686 /nfs/dbraw/zinc/14/76/86/1350147686.db2.gz VHNIKFAGVVFZIT-ATZCPNFKSA-N -2 0 343.401 2.163 20 0 EEADRL Cn1nc(C(=O)[O-])cc1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC001601001367 1350186916 /nfs/dbraw/zinc/18/69/16/1350186916.db2.gz JBJKDLCZMUAYMM-UHFFFAOYSA-N -2 0 330.127 2.383 20 0 EEADRL O=C(/C=C\c1ccsc1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001601245004 1350240328 /nfs/dbraw/zinc/24/03/28/1350240328.db2.gz UAIJGPSKZPADMQ-IWQZZHSRSA-N -2 0 343.407 2.026 20 0 EEADRL O=C([O-])[C@@H](CNC(=O)[C@@H](C(=O)[O-])C1CCCC1)c1ccc(F)cc1 ZINC001601648561 1350327956 /nfs/dbraw/zinc/32/79/56/1350327956.db2.gz MMNWRQZEPDYXIG-KBPBESRZSA-N -2 0 337.347 2.001 20 0 EEADRL O=C([O-])[C@@H]1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)[C@@H]2CCCC[C@@H]12 ZINC001601827847 1350375047 /nfs/dbraw/zinc/37/50/47/1350375047.db2.gz QYGPLPAFKHVZOE-HOSYDEDBSA-N -2 0 345.355 2.034 20 0 EEADRL O=C([O-])CCCO[N-]C(=O)CSc1ccccc1Br ZINC001601995979 1350413937 /nfs/dbraw/zinc/41/39/37/1350413937.db2.gz XRXXNEIHHQZVGR-UHFFFAOYSA-N -2 0 348.218 2.454 20 0 EEADRL O=C([O-])CCc1ccc(NC(=O)C2(C(=O)[O-])CCSCC2)cc1 ZINC001602038245 1350423604 /nfs/dbraw/zinc/42/36/04/1350423604.db2.gz TULBQCQCUDZUMN-UHFFFAOYSA-N -2 0 337.397 2.240 20 0 EEADRL O=C([O-])c1cc(NC(=O)C2(C(=O)[O-])CC2)cc(Br)c1F ZINC001602281043 1350484868 /nfs/dbraw/zinc/48/48/68/1350484868.db2.gz XEOLXLXGEPONTG-UHFFFAOYSA-N -2 0 346.108 2.090 20 0 EEADRL O=C([O-])c1nc([N-]S(=O)(=O)c2cncc(F)c2)sc1C1CC1 ZINC001602570545 1350548855 /nfs/dbraw/zinc/54/88/55/1350548855.db2.gz HRVCYBJNOVGZHB-UHFFFAOYSA-N -2 0 343.361 2.054 20 0 EEADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc2ccccc2c1 ZINC001603188994 1350659413 /nfs/dbraw/zinc/65/94/13/1350659413.db2.gz PUXMKYZVRGWJBV-MNOVXSKESA-N -2 0 335.381 2.009 20 0 EEADRL CC(C)(C)OC(=O)c1cc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)[nH]n1 ZINC001603501362 1350713316 /nfs/dbraw/zinc/71/33/16/1350713316.db2.gz MAFBVACNHZVPPL-NXEZZACHSA-N -2 0 337.376 2.195 20 0 EEADRL CC[C@H](C)CO[N-]C(=O)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001604956126 1351038809 /nfs/dbraw/zinc/03/88/09/1351038809.db2.gz PUKXDXZTGDOWSL-QMMMGPOBSA-N -2 0 328.752 2.071 20 0 EEADRL CCC(CC)[C@@H](C)C(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001605011845 1351053625 /nfs/dbraw/zinc/05/36/25/1351053625.db2.gz WLCLMSLVHJWFQT-PVYXMOBYSA-N -2 0 325.405 2.083 20 0 EEADRL CC[C@]1(C(=O)[O-])CCCN(C(=O)CCc2ccc(C(=O)[O-])cc2)C1 ZINC001605135996 1351085660 /nfs/dbraw/zinc/08/56/60/1351085660.db2.gz UZBWKXGDBCFIHC-SFHVURJKSA-N -2 0 333.384 2.421 20 0 EEADRL CN(CCCC(=O)[O-])C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001606114860 1351272934 /nfs/dbraw/zinc/27/29/34/1351272934.db2.gz OWZVVJQPPPEZLQ-CQSZACIVSA-N -2 0 336.388 2.345 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2cccc([C@H](C)C(=O)[O-])c2)s1 ZINC001607985349 1351597899 /nfs/dbraw/zinc/59/78/99/1351597899.db2.gz PDJUBUSWBFGAHB-QMMMGPOBSA-N -2 0 326.399 2.440 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccnn1-c1ccccc1 ZINC001608041656 1351612278 /nfs/dbraw/zinc/61/22/78/1351612278.db2.gz CPVHGGXCOQNSER-UHFFFAOYSA-N -2 0 347.352 2.273 20 0 EEADRL Cc1cn2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)c2n1 ZINC000074860099 1354369162 /nfs/dbraw/zinc/36/91/62/1354369162.db2.gz HSZZWNDOIKEJIP-UHFFFAOYSA-N -2 0 331.353 2.142 20 0 EEADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2nccnc2Cl)c1 ZINC001187540531 1368247338 /nfs/dbraw/zinc/24/73/38/1368247338.db2.gz VXHHTYMTFHMJIQ-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnn2CCF)ccc1Cl ZINC001188282884 1368295192 /nfs/dbraw/zinc/29/51/92/1368295192.db2.gz YMFXJFUMYKKNQF-UHFFFAOYSA-N -2 0 347.755 2.005 20 0 EEADRL O=P([O-])([O-])OCCNc1ccc(-c2c[nH]c3ccccc32)nn1 ZINC001168586936 790538410 /nfs/dbraw/zinc/53/84/10/790538410.db2.gz OEODRZGBIBJVGS-UHFFFAOYSA-N -2 0 334.272 2.146 20 0 EEADRL O=P([O-])([O-])OCCNc1ncnc2ccc(C(F)(F)F)cc21 ZINC001168588130 790580164 /nfs/dbraw/zinc/58/01/64/790580164.db2.gz ZJDKWODJYZUDSE-UHFFFAOYSA-N -2 0 337.194 2.170 20 0 EEADRL O=C([O-])c1csc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)c1 ZINC000906987523 784302604 /nfs/dbraw/zinc/30/26/04/784302604.db2.gz ROVKATMSQJSICZ-MRVPVSSYSA-N -2 0 329.321 2.066 20 0 EEADRL O=C([O-])c1cc(Nc2ccnn2C2CCOCC2)cc(C(=O)[O-])c1 ZINC001176238874 798390632 /nfs/dbraw/zinc/39/06/32/798390632.db2.gz KSUUTWQMCVNLAP-UHFFFAOYSA-N -2 0 331.328 2.375 20 0 EEADRL COC(=O)c1cc(N)c(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)s1 ZINC001176240515 798391081 /nfs/dbraw/zinc/39/10/81/798391081.db2.gz XWVLKVKCGXDUBC-UHFFFAOYSA-N -2 0 336.325 2.257 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)ncc1C ZINC001184670634 802104133 /nfs/dbraw/zinc/10/41/33/802104133.db2.gz SPTFJVIBSYWHRJ-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL Cc1nn(C)cc1S(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)[O-] ZINC000806633650 811952388 /nfs/dbraw/zinc/95/23/88/811952388.db2.gz ZNIMGIIHOPIURH-UHFFFAOYSA-N -2 0 345.380 2.381 20 0 EEADRL CN(C)c1ncccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000324774667 971155977 /nfs/dbraw/zinc/15/59/77/971155977.db2.gz DQFKAXKWQAJYGC-JXMROGBWSA-N -2 0 347.396 2.046 20 0 EEADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cccc(Br)c2[O-])C1 ZINC001589274982 953458001 /nfs/dbraw/zinc/45/80/01/953458001.db2.gz OURCIVIILOLBAF-RKDXNWHRSA-N -2 0 342.189 2.338 20 0 EEADRL O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)c2ncccc2[O-])C1 ZINC000902822178 956812723 /nfs/dbraw/zinc/81/27/23/956812723.db2.gz RODGYIQUKFTQHB-GFCCVEGCSA-N -2 0 326.352 2.471 20 0 EEADRL Cc1ccnc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC000391142883 972319578 /nfs/dbraw/zinc/31/95/78/972319578.db2.gz LIWZMXLJOIZZJB-UHFFFAOYSA-N -2 0 332.381 2.307 20 0 EEADRL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cncc(C(=O)[O-])c1 ZINC001594098461 958419592 /nfs/dbraw/zinc/41/95/92/958419592.db2.gz QDFUVABTVXHOLI-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL CCc1ncsc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195206020 960568690 /nfs/dbraw/zinc/56/86/90/960568690.db2.gz VYQXDZAYGPFUOL-UHFFFAOYSA-N -2 0 348.352 2.483 20 0 EEADRL C[C@H](CN(C)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F)C(=O)[O-] ZINC001592575323 978478001 /nfs/dbraw/zinc/47/80/01/978478001.db2.gz XYMYIELCHAWTQM-SSDOTTSWSA-N -2 0 346.286 2.171 20 0 EEADRL COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1O ZINC000778567599 978782669 /nfs/dbraw/zinc/78/26/69/978782669.db2.gz HLGXUTDISBWCLJ-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL CC[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001595035668 979187507 /nfs/dbraw/zinc/18/75/07/979187507.db2.gz JDEDWHNOPGHMPI-LLVKDONJSA-N -2 0 327.402 2.262 20 0 EEADRL CC[C@H](CS(=O)(=O)[N-]c1ncc(C(=O)[O-])c2ccccc21)OC ZINC001595203953 979970369 /nfs/dbraw/zinc/97/03/69/979970369.db2.gz YHGDYAZSSUJLOP-SNVBAGLBSA-N -2 0 338.385 2.100 20 0 EEADRL CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2scnc2C(=O)[O-])n[nH]1 ZINC001595579018 981504212 /nfs/dbraw/zinc/50/42/12/981504212.db2.gz KCHFAOGKWSDDKU-SSDOTTSWSA-N -2 0 344.418 2.269 20 0 EEADRL CC[C@](C)(CC(=O)[O-])NC(=O)c1nn(-c2cc(C)ccc2F)cc1[O-] ZINC001594823424 981975429 /nfs/dbraw/zinc/97/54/29/981975429.db2.gz BKRLNWMFYFFQHI-QGZVFWFLSA-N -2 0 349.362 2.399 20 0 EEADRL C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)CC[C@@H]1C(=O)[O-] ZINC001594478991 985509644 /nfs/dbraw/zinc/50/96/44/985509644.db2.gz FJOZFAYGWIFVII-PWSUYJOCSA-N -2 0 349.387 2.025 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nnc(C(C)C)s1 ZINC001597791127 989317943 /nfs/dbraw/zinc/31/79/43/989317943.db2.gz LOFVLIMMXJYUCB-UHFFFAOYSA-N -2 0 345.402 2.316 20 0 EEADRL C[C@H](C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001599885283 989544712 /nfs/dbraw/zinc/54/47/12/989544712.db2.gz AFRRCLADDSADGP-LBPRGKRZSA-N -2 0 347.392 2.135 20 0 EEADRL CC(C)CCn1nccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001591277239 992202054 /nfs/dbraw/zinc/20/20/54/992202054.db2.gz UUWLTTJPYIRICS-UHFFFAOYSA-N -2 0 343.430 2.490 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c(C)n1 ZINC001599598593 993782642 /nfs/dbraw/zinc/78/26/42/993782642.db2.gz FVDCOVOTVGYBML-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL COc1cc(C)c([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)cc1F ZINC001599392602 997066006 /nfs/dbraw/zinc/06/60/06/997066006.db2.gz XVWPYGQRPAJAMT-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL CC1(CC(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CCCC1 ZINC001593997801 997318862 /nfs/dbraw/zinc/31/88/62/997318862.db2.gz QGDGFPBDHDQFFL-UHFFFAOYSA-N -2 0 339.413 2.301 20 0 EEADRL C[C@H]1C[C@H](C(=O)[O-])CN(c2cc(C(F)(F)F)c(C(=O)[O-])cn2)C1 ZINC001594209672 998811678 /nfs/dbraw/zinc/81/16/78/998811678.db2.gz GJOCMNZVRQLEGE-YUMQZZPRSA-N -2 0 332.278 2.346 20 0 EEADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(c2cc(C(F)(F)F)c(C(=O)[O-])cn2)C1 ZINC001594209669 998811919 /nfs/dbraw/zinc/81/19/19/998811919.db2.gz GJOCMNZVRQLEGE-HTQZYQBOSA-N -2 0 332.278 2.346 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)cc1C(=O)[O-] ZINC000336850083 539806207 /nfs/dbraw/zinc/80/62/07/539806207.db2.gz NDJFQNKODBEJJU-UHFFFAOYSA-N -2 0 326.349 2.455 20 0 EEADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1C ZINC000359664398 164148363 /nfs/dbraw/zinc/14/83/63/164148363.db2.gz YDGFDEDRLYGGKA-VIFPVBQESA-N -2 0 340.405 2.000 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c(C)c1O ZINC000360500874 164324346 /nfs/dbraw/zinc/32/43/46/164324346.db2.gz OQKGPKHQKYSZMY-UHFFFAOYSA-N -2 0 337.353 2.214 20 0 EEADRL CCc1ccc([C@@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-])cc1 ZINC000548528272 318394712 /nfs/dbraw/zinc/39/47/12/318394712.db2.gz AEWDPIQLLPEHOY-GZMMTYOYSA-N -2 0 339.335 2.245 20 0 EEADRL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000566859517 319327487 /nfs/dbraw/zinc/32/74/87/319327487.db2.gz WXANZIXJXLGNEP-LURJTMIESA-N -2 0 343.298 2.022 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])cn1 ZINC000351516016 465197150 /nfs/dbraw/zinc/19/71/50/465197150.db2.gz VLZKPIDXWIRMIT-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(C2CC2)nc1 ZINC000590695964 468310515 /nfs/dbraw/zinc/31/05/15/468310515.db2.gz KTEVYWBYNMFXEL-UHFFFAOYSA-N -2 0 333.369 2.161 20 0 EEADRL CCc1nn(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000091022061 462821218 /nfs/dbraw/zinc/82/12/18/462821218.db2.gz GNFXSSAUMSAZSQ-UHFFFAOYSA-N -2 0 337.401 2.098 20 0 EEADRL Cc1cc(F)ccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000151506832 463543384 /nfs/dbraw/zinc/54/33/84/463543384.db2.gz KOQPEFKAWWRUQN-UHFFFAOYSA-N -2 0 328.303 2.032 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cccc3c2OCO3)cccc1C(=O)[O-] ZINC000337752298 465557995 /nfs/dbraw/zinc/55/79/95/465557995.db2.gz JTJXRXXFMYZOOL-UHFFFAOYSA-N -2 0 335.337 2.223 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)cs1 ZINC000340327301 465993016 /nfs/dbraw/zinc/99/30/16/465993016.db2.gz PEKFCBNXHQMSOF-UHFFFAOYSA-N -2 0 349.393 2.433 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2cccc3ccncc32)cc1C(=O)[O-] ZINC000321280317 466620316 /nfs/dbraw/zinc/62/03/16/466620316.db2.gz NHPJXMJCOUFIIG-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL Cc1cc(S(=O)(=O)N(C)c2ccccc2C(=O)[O-])ccc1C(=O)[O-] ZINC000350835643 466620700 /nfs/dbraw/zinc/62/07/00/466620700.db2.gz SFFQHNRSJVDPJI-UHFFFAOYSA-N -2 0 349.364 2.217 20 0 EEADRL CCc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000433498148 467336752 /nfs/dbraw/zinc/33/67/52/467336752.db2.gz UECCDSXHLKBYMZ-UHFFFAOYSA-N -2 0 337.353 2.159 20 0 EEADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(CC(=O)[O-])C2CCC2)n1 ZINC000655590834 471397243 /nfs/dbraw/zinc/39/72/43/471397243.db2.gz QYFNISVFIBQAPW-UHFFFAOYSA-N -2 0 347.346 2.105 20 0 EEADRL C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000663055532 472342748 /nfs/dbraw/zinc/34/27/48/472342748.db2.gz AJRIGFBWUJFAAW-GHMZBOCLSA-N -2 0 347.346 2.042 20 0 EEADRL CCCCn1ncc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1C ZINC000448131692 535179622 /nfs/dbraw/zinc/17/96/22/535179622.db2.gz ACNXYNCGRDLNAY-UHFFFAOYSA-N -2 0 337.401 2.491 20 0 EEADRL O=C([O-])c1ccc2c(c1)CCN2C(=O)c1n[n-]c2ccccc2c1=O ZINC000766845968 577525735 /nfs/dbraw/zinc/52/57/35/577525735.db2.gz SGLYNKPFOBVIKE-UHFFFAOYSA-N -2 0 335.319 2.237 20 0 EEADRL C[C@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000736540404 578210211 /nfs/dbraw/zinc/21/02/11/578210211.db2.gz GTIYIZHHZLISNZ-SNVBAGLBSA-N -2 0 335.385 2.353 20 0 EEADRL CC(C)n1nccc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000736540819 578210270 /nfs/dbraw/zinc/21/02/70/578210270.db2.gz NGMVMZRSPMFJFX-UHFFFAOYSA-N -2 0 327.337 2.102 20 0 EEADRL CC(C)(C)c1nsc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000737590905 578265856 /nfs/dbraw/zinc/26/58/56/578265856.db2.gz SMZZSVJHWCGJKF-UHFFFAOYSA-N -2 0 341.414 2.335 20 0 EEADRL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1OC ZINC000320275690 599735784 /nfs/dbraw/zinc/73/57/84/599735784.db2.gz GAFSHCMMIXZOKA-UHFFFAOYSA-N -2 0 341.341 2.186 20 0 EEADRL CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000315127908 599736905 /nfs/dbraw/zinc/73/69/05/599736905.db2.gz BMUSRNRCYGZDGY-UHFFFAOYSA-N -2 0 344.776 2.498 20 0 EEADRL Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000832902274 600669263 /nfs/dbraw/zinc/66/92/63/600669263.db2.gz LUOQEHOAEYXHJY-OLZOCXBDSA-N -2 0 333.340 2.064 20 0 EEADRL COc1cc(C(=O)[O-])cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1OC ZINC000831892775 600669587 /nfs/dbraw/zinc/66/95/87/600669587.db2.gz WFFCNCYDMVOGDO-QWRGUYRKSA-N -2 0 349.339 2.008 20 0 EEADRL Cc1nc(C(C)C)[nH]c(=O)c1C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000327580898 601290399 /nfs/dbraw/zinc/29/03/99/601290399.db2.gz GLUTWQHFUZOGNX-ZDUSSCGKSA-N -2 0 343.383 2.212 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)c(F)cc1F ZINC000832903683 601795215 /nfs/dbraw/zinc/79/52/15/601795215.db2.gz NHSRVOVTXPGDTP-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cc(Cl)ccn1 ZINC000833294193 601848190 /nfs/dbraw/zinc/84/81/90/601848190.db2.gz HTPGZXDFFKRLKA-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL Cc1nc(C)c([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])s1 ZINC000832996330 601863579 /nfs/dbraw/zinc/86/35/79/601863579.db2.gz ZHWACDLBFMYNMD-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL CC1(C)Cc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)ccc2O1 ZINC000828077838 602309276 /nfs/dbraw/zinc/30/92/76/602309276.db2.gz AQOPEMGALHRFRE-UHFFFAOYSA-N -2 0 337.353 2.492 20 0 EEADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC000863961565 1197937478 /nfs/dbraw/zinc/93/74/78/1197937478.db2.gz RQPQFEZUACPCHS-NSHDSACASA-N -2 0 347.820 2.033 20 0 EEADRL Cc1cn2c(cccc2[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n1 ZINC001186133589 1278963651 /nfs/dbraw/zinc/96/36/51/1278963651.db2.gz OCKCRQGFXXAXMU-UHFFFAOYSA-N -2 0 349.343 2.281 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2C(=O)CC3)ccc1F ZINC001186188843 1278982446 /nfs/dbraw/zinc/98/24/46/1278982446.db2.gz RWBUCLDQOJHDPL-UHFFFAOYSA-N -2 0 349.339 2.454 20 0 EEADRL O=P([O-])([O-])OCCNC(=S)Nc1cccc(Cl)c1Cl ZINC001201022016 1287236544 /nfs/dbraw/zinc/23/65/44/1287236544.db2.gz SWZDRWFJDJMXPO-UHFFFAOYSA-N -2 0 345.144 2.389 20 0 EEADRL Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189889308 1280564467 /nfs/dbraw/zinc/56/44/67/1280564467.db2.gz RJXAAIXUIAKPDN-UHFFFAOYSA-N -2 0 348.295 2.333 20 0 EEADRL CCOC(=O)CS(=O)(=O)[N-]c1cc(Cl)c(C)c(Cl)c1[O-] ZINC001195975550 1283828881 /nfs/dbraw/zinc/82/88/81/1283828881.db2.gz BRRUZCRTLPMLHZ-UHFFFAOYSA-N -2 0 342.200 2.312 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cnc(Cl)c(F)c1 ZINC001198741050 1285313083 /nfs/dbraw/zinc/31/30/83/1285313083.db2.gz NFJSAFYTFCCYOK-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL COC(=O)CCCS(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1[O-] ZINC001201915378 1289816098 /nfs/dbraw/zinc/81/60/98/1289816098.db2.gz MGUMFPOEMAZQQG-UHFFFAOYSA-N -2 0 342.200 2.394 20 0 EEADRL O=C([O-])c1cccnc1-n1[n-]c(COCc2ccccc2)cc1=O ZINC001245924903 1310189863 /nfs/dbraw/zinc/18/98/63/1310189863.db2.gz MNMIFWQEMWNCMM-UHFFFAOYSA-N -2 0 325.324 2.388 20 0 EEADRL O=c1cc(-c2ccc(O)cc2)[n-]n1-c1ccc(S(=O)(=O)[O-])cc1 ZINC001245941383 1310192324 /nfs/dbraw/zinc/19/23/24/1310192324.db2.gz KJOBEMMQBCDZMJ-UHFFFAOYSA-N -2 0 332.337 2.197 20 0 EEADRL CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2ccc([S-])cc2)s1 ZINC001250810071 1317331633 /nfs/dbraw/zinc/33/16/33/1317331633.db2.gz JYCYADMFUFPTTP-UHFFFAOYSA-N -2 0 343.455 2.499 20 0 EEADRL O=S(=O)([O-])c1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC001259068540 1319428977 /nfs/dbraw/zinc/42/89/77/1319428977.db2.gz CTXLGFAWNBZGCJ-UHFFFAOYSA-N -2 0 349.336 2.012 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cncc(N3CCCC3)c2)c1 ZINC001260184387 1319817688 /nfs/dbraw/zinc/81/76/88/1319817688.db2.gz ISSWLWICLNQIIF-UHFFFAOYSA-N -2 0 347.396 2.181 20 0 EEADRL Cc1cc(Cl)nc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1 ZINC001260392672 1319882012 /nfs/dbraw/zinc/88/20/12/1319882012.db2.gz MDCKNSUISNTFDV-UHFFFAOYSA-N -2 0 342.760 2.248 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3ocnc32)ccc1O ZINC001260398917 1319884349 /nfs/dbraw/zinc/88/43/49/1319884349.db2.gz IEDAMKVAFYZTKC-UHFFFAOYSA-N -2 0 334.309 2.032 20 0 EEADRL O=C([O-])[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)CCC2CCCCC2)C1 ZINC001608622392 1351727708 /nfs/dbraw/zinc/72/77/08/1351727708.db2.gz WLEZGLLOGKIFMK-KGLIPLIRSA-N -2 0 345.461 2.294 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnn(C3CCC3)c2)cs1 ZINC001608862378 1351780766 /nfs/dbraw/zinc/78/07/66/1351780766.db2.gz BBUBPCNXZIIHGD-UHFFFAOYSA-N -2 0 327.387 2.169 20 0 EEADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)C2(F)CCCCC2)cc1 ZINC001608890321 1351788288 /nfs/dbraw/zinc/78/82/88/1351788288.db2.gz BRPWVPYBWCKLNP-UHFFFAOYSA-N -2 0 343.376 2.003 20 0 EEADRL O=C([O-])c1cncc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c1 ZINC001608982076 1351807792 /nfs/dbraw/zinc/80/77/92/1351807792.db2.gz UJFSLYHSNIXDOZ-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL C/C(=C\C(C)(C)C)C(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001609497913 1351999276 /nfs/dbraw/zinc/99/92/76/1351999276.db2.gz OXEAATFOKLUYOX-MDZDMXLPSA-N -2 0 340.401 2.150 20 0 EEADRL C[C@H](OC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1ccc(C(=O)[O-])o1 ZINC001609788824 1352085535 /nfs/dbraw/zinc/08/55/35/1352085535.db2.gz FDLPPSLQMZBGFN-LURJTMIESA-N -2 0 337.250 2.039 20 0 EEADRL CC[C@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001609946256 1352126219 /nfs/dbraw/zinc/12/62/19/1352126219.db2.gz CJZADABGBDZKBB-SMDDNHRTSA-N -2 0 339.413 2.406 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nc(C)cn2c1 ZINC001610077719 1352157104 /nfs/dbraw/zinc/15/71/04/1352157104.db2.gz PMDFHQMKNJQCSR-UHFFFAOYSA-N -2 0 349.368 2.297 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)n(C(C)C)n1 ZINC001610078086 1352157331 /nfs/dbraw/zinc/15/73/31/1352157331.db2.gz UULFYENWSJFALJ-UHFFFAOYSA-N -2 0 341.389 2.427 20 0 EEADRL COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cn1 ZINC001610275719 1352197933 /nfs/dbraw/zinc/19/79/33/1352197933.db2.gz OUPGNRLRMPDKMR-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001610388147 1352214992 /nfs/dbraw/zinc/21/49/92/1352214992.db2.gz GBHMENKLAOEBPB-GFCCVEGCSA-N -2 0 347.392 2.135 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)nn1-c1ccccc1 ZINC001610474457 1352228747 /nfs/dbraw/zinc/22/87/47/1352228747.db2.gz HHLCAHDXFXYRBX-UHFFFAOYSA-N -2 0 347.352 2.273 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c2n[nH]cc21 ZINC001610509834 1352235952 /nfs/dbraw/zinc/23/59/52/1352235952.db2.gz GQEUXEUNHWHDSM-UHFFFAOYSA-N -2 0 347.352 2.076 20 0 EEADRL Cc1c(Cl)c(C(=O)[O-])sc1S(=O)(=O)[N-]c1cnc(C)nc1 ZINC001610562743 1352245333 /nfs/dbraw/zinc/24/53/33/1352245333.db2.gz BPFYORUHOYNDHP-UHFFFAOYSA-N -2 0 347.805 2.307 20 0 EEADRL Cc1nc2cc([N-]S(=O)(=O)c3cncc(C(=O)[O-])c3)ccc2o1 ZINC001610561098 1352244920 /nfs/dbraw/zinc/24/49/20/1352244920.db2.gz DYXOUBWMJVMQPS-UHFFFAOYSA-N -2 0 333.325 2.030 20 0 EEADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC001610854481 1352286102 /nfs/dbraw/zinc/28/61/02/1352286102.db2.gz JDWAWKGEKVSUHW-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL Cc1c(NC(=O)C(=O)[N-]OC2CCCCC2)ccc(F)c1C(=O)[O-] ZINC001600029698 1349957941 /nfs/dbraw/zinc/95/79/41/1349957941.db2.gz JMDUCQQEBGTZKP-UHFFFAOYSA-N -2 0 338.335 2.151 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)C2CCC3(CC3)CC2)oc1C(=O)[O-] ZINC001600296382 1350013356 /nfs/dbraw/zinc/01/33/56/1350013356.db2.gz CVYACQGLOHWSED-UHFFFAOYSA-N -2 0 341.385 2.062 20 0 EEADRL Cc1cccc([C@@H](C)C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001600512941 1350069766 /nfs/dbraw/zinc/06/97/66/1350069766.db2.gz MFZRLTHONXGKJO-GFCCVEGCSA-N -2 0 347.392 2.302 20 0 EEADRL Cc1c(C(=O)[O-])sc2[nH]c(C)nc(=NC(C)(C)CCC(=O)[O-])c12 ZINC001600715223 1350120230 /nfs/dbraw/zinc/12/02/30/1350120230.db2.gz UEAFYGWHASTIIS-UHFFFAOYSA-N -2 0 337.401 2.484 20 0 EEADRL O=C([O-])[C@@H](NC(=O)c1cccc(C(F)(F)F)c1[O-])C1CCOCC1 ZINC001601394104 1350272797 /nfs/dbraw/zinc/27/27/97/1350272797.db2.gz GQDYYRUGKCWYQW-NSHDSACASA-N -2 0 347.289 2.021 20 0 EEADRL O=C([O-])[C@H]1CCc2sc(NC(=O)c3c([O-])cccc3F)nc2C1 ZINC001601632170 1350324542 /nfs/dbraw/zinc/32/45/42/1350324542.db2.gz VDMGKEXYEMVCNS-ZETCQYMHSA-N -2 0 336.344 2.430 20 0 EEADRL O=C([O-])Cc1cccc(NC(=O)c2c([O-])cnc3c(F)cccc32)n1 ZINC001602140009 1350448545 /nfs/dbraw/zinc/44/85/45/1350448545.db2.gz XJWTVUNNECSCTN-UHFFFAOYSA-N -2 0 341.298 2.354 20 0 EEADRL O=C([O-])c1cc(C2CCN(C(=O)c3ccc(F)cc3[O-])CC2)no1 ZINC001602250114 1350476625 /nfs/dbraw/zinc/47/66/25/1350476625.db2.gz OURDJOVGGZHLFY-UHFFFAOYSA-N -2 0 334.303 2.237 20 0 EEADRL C[C@@]1(C(=O)[O-])CCN(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001604499207 1350949429 /nfs/dbraw/zinc/94/94/29/1350949429.db2.gz XLJBUPBYZSJIGX-CQSZACIVSA-N -2 0 326.736 2.367 20 0 EEADRL CC[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001604984014 1351045946 /nfs/dbraw/zinc/04/59/46/1351045946.db2.gz WIGWHXPSJKVDEM-SNVBAGLBSA-N -2 0 331.390 2.163 20 0 EEADRL CCC[C@@](C)(NC(=O)c1nn(-c2cc(C)ccc2F)cc1[O-])C(=O)[O-] ZINC001605199881 1351101220 /nfs/dbraw/zinc/10/12/20/1351101220.db2.gz IWOUBOYJVCFOLJ-QGZVFWFLSA-N -2 0 349.362 2.399 20 0 EEADRL COc1cc(S(=O)(=O)[N-]c2cc(F)ccc2O)ccc1C(=O)[O-] ZINC001607189464 1351446077 /nfs/dbraw/zinc/44/60/77/1351446077.db2.gz BKOUBGSGQDWLPD-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL COc1ccc(C)nc1[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001607236315 1351455983 /nfs/dbraw/zinc/45/59/83/1351455983.db2.gz BVSIESMWSZSJPX-UHFFFAOYSA-N -2 0 336.369 2.039 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)oc1C(=O)[O-] ZINC001607705084 1351543300 /nfs/dbraw/zinc/54/33/00/1351543300.db2.gz DNAJDIRRLHHHKK-IQJOONFLSA-N -2 0 343.401 2.163 20 0 EEADRL Cc1csc(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1C(=O)[O-] ZINC001607931908 1351588263 /nfs/dbraw/zinc/58/82/63/1351588263.db2.gz BEYJUMXHDJGPPT-VHSXEESVSA-N -2 0 338.385 2.329 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2cccc([C@@H](C)C(=O)[O-])c2)s1 ZINC001607985348 1351598054 /nfs/dbraw/zinc/59/80/54/1351598054.db2.gz PDJUBUSWBFGAHB-MRVPVSSYSA-N -2 0 326.399 2.440 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2cccc(N(C)C)c2C)cc1C(=O)[O-] ZINC001608057103 1351615964 /nfs/dbraw/zinc/61/59/64/1351615964.db2.gz PUDFLIVPGFGGKF-UHFFFAOYSA-N -2 0 338.385 2.461 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(O)c2)c(F)cc1F ZINC001195234052 1368508874 /nfs/dbraw/zinc/50/88/74/1368508874.db2.gz DLOSYBFDKOOLBO-UHFFFAOYSA-N -2 0 347.270 2.309 20 0 EEADRL CCOC(=O)c1ccncc1S(=O)(=O)[N-]c1ccc([S-])cc1 ZINC001195637787 1368561347 /nfs/dbraw/zinc/56/13/47/1368561347.db2.gz JCQNKSBKOTURMV-UHFFFAOYSA-N -2 0 338.410 2.348 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cccc2cnncc21 ZINC001198778688 1368645021 /nfs/dbraw/zinc/64/50/21/1368645021.db2.gz KRWHAQWHAPGMTO-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL CCc1cc([N-]S(=O)(=O)c2ccc(CC)c(C(=O)[O-])c2)nn1C ZINC000817354321 784692303 /nfs/dbraw/zinc/69/23/03/784692303.db2.gz KAXMGHIGYSSLIZ-UHFFFAOYSA-N -2 0 337.401 2.044 20 0 EEADRL C[C@H](C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1ccc(Cl)s1 ZINC000910182346 786514849 /nfs/dbraw/zinc/51/48/49/786514849.db2.gz HFEIALNRERQERS-YIZRAAEISA-N -2 0 345.804 2.281 20 0 EEADRL C[C@H](C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000910183814 786515471 /nfs/dbraw/zinc/51/54/71/786515471.db2.gz NISUYGYRIDXSNX-XHVZSJERSA-N -2 0 339.775 2.220 20 0 EEADRL Cc1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c(C)cc1Cl ZINC000910184375 786516531 /nfs/dbraw/zinc/51/65/31/786516531.db2.gz QAXFECOOQUAYEU-MFKMUULPSA-N -2 0 339.775 2.347 20 0 EEADRL C[C@H](CC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1ccccc1F ZINC000910188813 786521112 /nfs/dbraw/zinc/52/11/12/786521112.db2.gz NGOIDNPVQQKHEC-SUNKGSAMSA-N -2 0 337.347 2.096 20 0 EEADRL CC(C)(CC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000910188847 786521413 /nfs/dbraw/zinc/52/14/13/786521413.db2.gz NNPKWEAURKJYIN-TZMCWYRMSA-N -2 0 333.384 2.131 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)CCc2cc(Cl)cs2)C1 ZINC000910191183 786522783 /nfs/dbraw/zinc/52/27/83/786522783.db2.gz YBRAZCYJCAIMNJ-LDYMZIIASA-N -2 0 345.804 2.111 20 0 EEADRL CCCN(C(=O)c1nn(-c2ccc(F)cc2C)cc1[O-])[C@@H](C)C(=O)[O-] ZINC000911707817 787668256 /nfs/dbraw/zinc/66/82/56/787668256.db2.gz MTARKLLNQPZINH-NSHDSACASA-N -2 0 349.362 2.351 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001174986468 797963240 /nfs/dbraw/zinc/96/32/40/797963240.db2.gz QALMSYYJTIGNLV-UHFFFAOYSA-N -2 0 328.324 2.251 20 0 EEADRL O=C([O-])c1cc(Nc2ncccc2N2CCOCC2)cc(C(=O)[O-])c1 ZINC001176238549 798390775 /nfs/dbraw/zinc/39/07/75/798390775.db2.gz IRVRSWVLNIPJMU-UHFFFAOYSA-N -2 0 343.339 2.058 20 0 EEADRL CCOC(=O)c1ccncc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176240279 798391258 /nfs/dbraw/zinc/39/12/58/798391258.db2.gz VSOZQFIPAKSNHA-UHFFFAOYSA-N -2 0 330.296 2.398 20 0 EEADRL COC(=O)c1cccc(O)c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176241906 798392377 /nfs/dbraw/zinc/39/23/77/798392377.db2.gz DESLYMNAJHRCDY-UHFFFAOYSA-N -2 0 331.280 2.319 20 0 EEADRL CC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cnc1C ZINC001184670883 802104162 /nfs/dbraw/zinc/10/41/62/802104162.db2.gz XHPFGJHSRBPQLD-UHFFFAOYSA-N -2 0 348.380 2.400 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cccc3nsnc32)cc1C(=O)[O-] ZINC001184653910 802119004 /nfs/dbraw/zinc/11/90/04/802119004.db2.gz USOPHCQUVRDSIW-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL COc1cncc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1C ZINC001184660031 802121594 /nfs/dbraw/zinc/12/15/94/802121594.db2.gz SNZYPNFRYUHUGQ-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL Cc1nnc(-c2ccccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)o1 ZINC000325049504 971179843 /nfs/dbraw/zinc/17/98/43/971179843.db2.gz PFWQQLBFUWVPSW-UHFFFAOYSA-N -2 0 349.324 2.137 20 0 EEADRL O=C([O-])[C@H](NC(=O)c1cc(F)cc(F)c1[O-])c1ccc(F)cc1 ZINC001594716235 956930958 /nfs/dbraw/zinc/93/09/58/956930958.db2.gz ONRFKFHPVIKBGO-GFCCVEGCSA-N -2 0 325.242 2.365 20 0 EEADRL CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000038058589 957352570 /nfs/dbraw/zinc/35/25/70/957352570.db2.gz SIGGOOBKTCCVBO-UHFFFAOYSA-N -2 0 325.367 2.450 20 0 EEADRL C[C@H]1CCC[C@@H](CCNS(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000134713558 958858415 /nfs/dbraw/zinc/85/84/15/958858415.db2.gz VZZJXUPTHDDIFS-UWVGGRQHSA-N -2 0 332.447 2.336 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nc3ccccc3[nH]2)cc1F ZINC000391901190 972388290 /nfs/dbraw/zinc/38/82/90/972388290.db2.gz DYRAFVCKZBTXMT-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL CC(C)(C)OC(=O)c1cc(C(=O)Nc2cccc(C(=O)[O-])c2)n[n-]1 ZINC001588726656 961062727 /nfs/dbraw/zinc/06/27/27/961062727.db2.gz JRIHJOREGRRDSD-UHFFFAOYSA-N -2 0 331.328 2.316 20 0 EEADRL CC(C)C[C@H](CNC(=O)CSc1n[n-]c(=S)s1)CC(=O)[O-] ZINC001588887932 962193344 /nfs/dbraw/zinc/19/33/44/962193344.db2.gz FVWGTAAZGRYIBV-QMMMGPOBSA-N -2 0 349.503 2.172 20 0 EEADRL Cc1cnc(C(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)c([O-])c1 ZINC001571216092 962498631 /nfs/dbraw/zinc/49/86/31/962498631.db2.gz DTLAWBRZOLPXQX-VIFPVBQESA-N -2 0 334.303 2.339 20 0 EEADRL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)s1 ZINC000318766702 970470537 /nfs/dbraw/zinc/47/05/37/970470537.db2.gz AMNVLLZGPTWRGW-UHFFFAOYSA-N -2 0 336.394 2.438 20 0 EEADRL O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1cc(Br)cc(F)c1[O-] ZINC001605829400 972563938 /nfs/dbraw/zinc/56/39/38/972563938.db2.gz QHTIQVFXTZQCKG-XCBNKYQSSA-N -2 0 346.152 2.277 20 0 EEADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001591861926 976158591 /nfs/dbraw/zinc/15/85/91/976158591.db2.gz IYOODBATKVMFBK-JTQLQIEISA-N -2 0 332.278 2.026 20 0 EEADRL CCC1CCC(NC(=O)c2cccc(OCC(=O)[O-])c2)(C(=O)[O-])CC1 ZINC001595424683 981043005 /nfs/dbraw/zinc/04/30/05/981043005.db2.gz JRARJJKUGRMZEP-UHFFFAOYSA-N -2 0 349.383 2.303 20 0 EEADRL CCCc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)n(C)n1 ZINC001596058011 983364612 /nfs/dbraw/zinc/36/46/12/983364612.db2.gz CEVRUJNINXABGW-UHFFFAOYSA-N -2 0 341.364 2.011 20 0 EEADRL CCCc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n(C)n1 ZINC001596058606 983365522 /nfs/dbraw/zinc/36/55/22/983365522.db2.gz MXNZANMTBHWVPU-UHFFFAOYSA-N -2 0 341.364 2.011 20 0 EEADRL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001597030367 986442863 /nfs/dbraw/zinc/44/28/63/986442863.db2.gz DFKRAELRRIROLP-UHFFFAOYSA-N -2 0 325.342 2.486 20 0 EEADRL CCc1ncsc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001597711946 988972850 /nfs/dbraw/zinc/97/28/50/988972850.db2.gz IOZATLHTPDYNRZ-UHFFFAOYSA-N -2 0 330.362 2.344 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2c(C)sc(C)c2C(=O)[O-])nc1C ZINC001597898303 989766985 /nfs/dbraw/zinc/76/69/85/989766985.db2.gz STUNKIDWPKCNAM-UHFFFAOYSA-N -2 0 343.430 2.389 20 0 EEADRL CC(C)(C)n1nccc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001590604957 990269143 /nfs/dbraw/zinc/26/91/43/990269143.db2.gz GOJWTKFJXPGZKE-UHFFFAOYSA-N -2 0 337.401 2.066 20 0 EEADRL CC(C)CC(C)(C)C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001591124231 991812455 /nfs/dbraw/zinc/81/24/55/991812455.db2.gz JQQITLRIVRQQEO-UHFFFAOYSA-N -2 0 341.429 2.403 20 0 EEADRL CC(C)C[C@H](CNC(=O)N1CCC[C@@](C)(C(=O)[O-])C1)CC(=O)[O-] ZINC001591448167 992550175 /nfs/dbraw/zinc/55/01/75/992550175.db2.gz BQCNUZPLACXPMP-BLLLJJGKSA-N -2 0 328.409 2.020 20 0 EEADRL C[C@@H](O[C@@H](C)C(=O)[O-])C(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001593602865 995765536 /nfs/dbraw/zinc/76/55/36/995765536.db2.gz MAINNFGXIIXDDR-SFYZADRCSA-N -2 0 337.353 2.416 20 0 EEADRL C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC001593659442 996035493 /nfs/dbraw/zinc/03/54/93/996035493.db2.gz SVMSLTMRRDOUFJ-BBBLOLIVSA-N -2 0 325.386 2.408 20 0 EEADRL C[C@@H](Sc1ccccc1C(=O)N1CC[C@](C)(C(=O)[O-])C1)C(=O)[O-] ZINC001593667508 996057720 /nfs/dbraw/zinc/05/77/20/996057720.db2.gz GEVGSGQZIKGDMK-HWPZZCPQSA-N -2 0 337.397 2.189 20 0 EEADRL O=C(NCc1nc([O-])cc(=O)[nH]1)c1ccccc1Oc1ccncc1 ZINC001470583435 1110508504 /nfs/dbraw/zinc/50/85/04/1110508504.db2.gz YSZIAWCBJBYZGB-UHFFFAOYSA-N -2 0 338.323 2.005 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2nc(Cl)ccc2Cl)c1 ZINC001610866710 1124733361 /nfs/dbraw/zinc/73/33/61/1124733361.db2.gz CDZULTLEQRTTSR-UHFFFAOYSA-N -2 0 337.140 2.480 20 0 EEADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262954239 152345258 /nfs/dbraw/zinc/34/52/58/152345258.db2.gz PDKVERLGANBKGX-MGCOHNPYSA-N -2 0 349.412 2.246 20 0 EEADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccccc2)c1OC ZINC000342748732 161087836 /nfs/dbraw/zinc/08/78/36/161087836.db2.gz KLWMKKRCGJBYIF-UHFFFAOYSA-N -2 0 337.353 2.203 20 0 EEADRL COc1ccc(O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC000345690399 161323166 /nfs/dbraw/zinc/32/31/66/161323166.db2.gz LDBDWJOTYHRPIC-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000336853065 465052664 /nfs/dbraw/zinc/05/26/64/465052664.db2.gz CNDZYOQICZMEQE-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL COc1cncc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000337170002 465225766 /nfs/dbraw/zinc/22/57/66/465225766.db2.gz DVOUKGINJOAZLC-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000060243535 462540434 /nfs/dbraw/zinc/54/04/34/462540434.db2.gz KZRONMZKZDSTIE-UHFFFAOYSA-N -2 0 349.364 2.281 20 0 EEADRL O=C([O-])C1CCC(NC(=O)c2nn(-c3ccccc3F)cc2[O-])CC1 ZINC000552357926 468324228 /nfs/dbraw/zinc/32/42/28/468324228.db2.gz ZHFZPGXHMVUXNH-UHFFFAOYSA-N -2 0 347.346 2.090 20 0 EEADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000096697679 463296205 /nfs/dbraw/zinc/29/62/05/463296205.db2.gz YCDSKIIZHLAGFG-UHFFFAOYSA-N -2 0 332.337 2.066 20 0 EEADRL CCc1nc(C)c([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)s1 ZINC000357082894 465754071 /nfs/dbraw/zinc/75/40/71/465754071.db2.gz PNGAWKWKICVVDJ-UHFFFAOYSA-N -2 0 340.426 2.442 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)c[nH]1 ZINC000320064790 466603363 /nfs/dbraw/zinc/60/33/63/466603363.db2.gz VISZDZLPZVYLTJ-UHFFFAOYSA-N -2 0 333.325 2.169 20 0 EEADRL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1F)c1ccccc1 ZINC000321204964 466618530 /nfs/dbraw/zinc/61/85/30/466618530.db2.gz HQBWINUMGYFMFR-NSHDSACASA-N -2 0 341.335 2.112 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)cc1C ZINC000322550257 466633026 /nfs/dbraw/zinc/63/30/26/466633026.db2.gz HJVRSAVORPUJPR-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2cc(F)ccc2F)ccc1C(=O)[O-] ZINC000323659721 466640518 /nfs/dbraw/zinc/64/05/18/466640518.db2.gz CIFNFAWZIXOECO-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)cc1F ZINC000323808523 466641332 /nfs/dbraw/zinc/64/13/32/466641332.db2.gz KWIITIIXWOXUKO-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL C[C@H]1CCN(S(=O)(=O)Nc2cc(Br)ccc2O)C1 ZINC000408139303 467516382 /nfs/dbraw/zinc/51/63/82/467516382.db2.gz OCJLTQBPFTXNPY-QMMMGPOBSA-N -2 0 335.223 2.153 20 0 EEADRL C[C@H](CNC(=O)c1cc(Br)cc(Cl)c1[O-])C(=O)[O-] ZINC000656231929 471642962 /nfs/dbraw/zinc/64/29/62/471642962.db2.gz RGTCTWPWEYOAGF-RXMQYKEDSA-N -2 0 336.569 2.259 20 0 EEADRL CC(C)(C)CC[C@@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)C(=O)[O-] ZINC000659765798 471735506 /nfs/dbraw/zinc/73/55/06/471735506.db2.gz SKPHLFUEFXULKJ-CYBMUJFWSA-N -2 0 337.372 2.159 20 0 EEADRL CC(C)[C@@H](CNc1cc(NC[C@@H](C(=O)[O-])C(C)C)ncn1)C(=O)[O-] ZINC000662883202 472290467 /nfs/dbraw/zinc/29/04/67/472290467.db2.gz MPMBWWSWKCFAFU-VXGBXAGGSA-N -2 0 338.408 2.014 20 0 EEADRL O=C([O-])CC[C@H]1CCCCN1C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000663030107 472332591 /nfs/dbraw/zinc/33/25/91/472332591.db2.gz UTCOFVTWXSKMQR-CYBMUJFWSA-N -2 0 335.356 2.010 20 0 EEADRL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000765141186 577495916 /nfs/dbraw/zinc/49/59/16/577495916.db2.gz IYOLNIWUZBTYMH-UHFFFAOYSA-N -3 0 342.760 2.248 20 0 EEADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000769831914 577585510 /nfs/dbraw/zinc/58/55/10/577585510.db2.gz BOSYPWFXOXFJMU-UHFFFAOYSA-N -2 0 343.792 2.135 20 0 EEADRL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000758168967 577617379 /nfs/dbraw/zinc/61/73/79/577617379.db2.gz IVDYZDSMZWCVKR-UHFFFAOYSA-N -2 0 349.290 2.294 20 0 EEADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2cc(F)ccc2O)c1 ZINC000756936269 577853459 /nfs/dbraw/zinc/85/34/59/577853459.db2.gz KMNZXDUCLLIIHH-UHFFFAOYSA-N -2 0 347.270 2.309 20 0 EEADRL CC(C)Cn1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cn1 ZINC000743265142 577882458 /nfs/dbraw/zinc/88/24/58/577882458.db2.gz GFSXREWUZDMJGS-UHFFFAOYSA-N -2 0 341.364 2.177 20 0 EEADRL O=C([O-])CCCCCCNC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000739666695 578063535 /nfs/dbraw/zinc/06/35/35/578063535.db2.gz ZCRLTWZEURWPIE-UHFFFAOYSA-N -2 0 349.362 2.482 20 0 EEADRL CCCn1ccc2ccc([N-]S(=O)(=O)c3n[nH]cc3C(=O)[O-])cc21 ZINC000737836207 578270606 /nfs/dbraw/zinc/27/06/06/578270606.db2.gz GEVMPZFDGJKOFU-UHFFFAOYSA-N -2 0 348.384 2.273 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000314544748 599734936 /nfs/dbraw/zinc/73/49/36/599734936.db2.gz UOIIEVAWHLFQOQ-UHFFFAOYSA-N -2 0 346.704 2.340 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)c(F)c1 ZINC000405019950 599850009 /nfs/dbraw/zinc/85/00/09/599850009.db2.gz WJVXTXZERGFLOT-UHFFFAOYSA-N -2 0 339.344 2.398 20 0 EEADRL O=C([O-])Cc1csc([N-]S(=O)(=O)c2cccc3ncccc32)n1 ZINC000391417168 600052951 /nfs/dbraw/zinc/05/29/51/600052951.db2.gz VDKWUPJBKIVUNS-UHFFFAOYSA-N -2 0 349.393 2.119 20 0 EEADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])cs1 ZINC000831353186 600672573 /nfs/dbraw/zinc/67/25/73/600672573.db2.gz DOFGSJWVQCLRMD-UHFFFAOYSA-N -2 0 347.395 2.095 20 0 EEADRL CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1c([O-])cc(F)cc1F ZINC000830000859 600723093 /nfs/dbraw/zinc/72/30/93/600723093.db2.gz NPYPDPDTJICRDU-SNVBAGLBSA-N -2 0 345.342 2.260 20 0 EEADRL CCC(CC)([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000094240633 600790139 /nfs/dbraw/zinc/79/01/39/600790139.db2.gz IRIQQXHWCQDGJR-UHFFFAOYSA-N -2 0 325.308 2.026 20 0 EEADRL CC(C)c1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n1 ZINC000042342769 600827069 /nfs/dbraw/zinc/82/70/69/600827069.db2.gz VVAUYEJAKVEEIR-UHFFFAOYSA-N -2 0 329.403 2.104 20 0 EEADRL O=C([O-])C1CCN(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])CC1 ZINC000833191661 601386424 /nfs/dbraw/zinc/38/64/24/601386424.db2.gz UHHKJPNNXAFXKS-UHFFFAOYSA-N -2 0 349.774 2.168 20 0 EEADRL CCc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)s1 ZINC000232264067 601500512 /nfs/dbraw/zinc/50/05/12/601500512.db2.gz YZPPJLJCRLWHKL-UHFFFAOYSA-N -2 0 347.805 2.253 20 0 EEADRL CCCCc1nnc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)s1 ZINC000829439852 601502333 /nfs/dbraw/zinc/50/23/33/601502333.db2.gz DYVGVSZRHXLLFI-UHFFFAOYSA-N -2 0 347.443 2.441 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)c(F)cc1F ZINC000832903752 601831293 /nfs/dbraw/zinc/83/12/93/601831293.db2.gz RHBONSYJRQWDHH-UHFFFAOYSA-N -2 0 330.312 2.111 20 0 EEADRL Cc1nc2ccc([N-]S(=O)(=O)c3csnc3C(=O)[O-])cc2o1 ZINC000833005561 601833755 /nfs/dbraw/zinc/83/37/55/601833755.db2.gz CCHAMYWTQUYQIN-UHFFFAOYSA-N -2 0 339.354 2.092 20 0 EEADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(Cl)c(F)c1 ZINC000833345598 601836347 /nfs/dbraw/zinc/83/63/47/601836347.db2.gz VVZXLLTYQASTFG-UHFFFAOYSA-N -2 0 336.753 2.435 20 0 EEADRL C/C(=C\c1ccccc1Cl)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000833385644 604611909 /nfs/dbraw/zinc/61/19/09/604611909.db2.gz IMMFILBGLSLQFZ-MDZDMXLPSA-N -2 0 345.804 2.054 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC[C@H]2CC(=O)[O-])n1 ZINC000830269788 604665704 /nfs/dbraw/zinc/66/57/04/604665704.db2.gz HNWFAYOHFNPNAR-ZDUSSCGKSA-N -2 0 343.383 2.220 20 0 EEADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1OC ZINC000833662920 605185217 /nfs/dbraw/zinc/18/52/17/605185217.db2.gz MPBPSDZEGDRGEG-UHFFFAOYSA-N -2 0 341.341 2.186 20 0 EEADRL CC(C)(C)OCC[C@@H](NC(=O)c1cccc(NC(=O)[O-])c1)C(=O)[O-] ZINC000833445729 605230684 /nfs/dbraw/zinc/23/06/84/605230684.db2.gz PABPOUCYTJZRGJ-GFCCVEGCSA-N -2 0 338.360 2.165 20 0 EEADRL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2cn(C)c(Cl)n2)c1 ZINC000120270738 1197970584 /nfs/dbraw/zinc/97/05/84/1197970584.db2.gz MGEFHSQOLGJWKV-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL CCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c(C)n1 ZINC001187545395 1279579402 /nfs/dbraw/zinc/57/94/02/1279579402.db2.gz JTWQAQVJEXIQEL-UHFFFAOYSA-N -2 0 343.792 2.364 20 0 EEADRL CCc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)on1 ZINC001188279097 1279826695 /nfs/dbraw/zinc/82/66/95/1279826695.db2.gz ADAVCPZHKXCWJK-UHFFFAOYSA-N -2 0 330.749 2.389 20 0 EEADRL COc1ccccc1-c1noc(-c2cc(S(=O)(=O)[O-])ccc2[O-])n1 ZINC001215454392 1296909424 /nfs/dbraw/zinc/90/94/24/1296909424.db2.gz XMKZYVUCAXAFSC-UHFFFAOYSA-N -2 0 348.336 2.365 20 0 EEADRL CON(C)C(=O)c1ccccc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242163281 1309623989 /nfs/dbraw/zinc/62/39/89/1309623989.db2.gz RWRWXONZSJTYGI-UHFFFAOYSA-N -2 0 329.308 2.383 20 0 EEADRL COC(=O)c1cncc(-c2cc(=O)n(-c3ccccc3C(=O)[O-])[n-]2)c1 ZINC001245946676 1310193327 /nfs/dbraw/zinc/19/33/27/1310193327.db2.gz ORZKWXXCSCNWCE-UHFFFAOYSA-N -2 0 339.307 2.125 20 0 EEADRL O=P([O-])([O-])OCCNc1ncnc2c1ccn2Cc1ccccc1 ZINC001157792184 1318864893 /nfs/dbraw/zinc/86/48/93/1318864893.db2.gz VWSOFNYVWBNSBI-UHFFFAOYSA-N -2 0 348.299 2.001 20 0 EEADRL O=c1[nH]cnc([O-])c1[N-]S(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC001257451278 1319001570 /nfs/dbraw/zinc/00/15/70/1319001570.db2.gz OEUKWRAWGWPKNY-UHFFFAOYSA-N -2 0 342.185 2.057 20 0 EEADRL COc1cncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1C ZINC001260209806 1319832585 /nfs/dbraw/zinc/83/25/85/1319832585.db2.gz VUJLMKRKSYBOJW-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cs1 ZINC001260221677 1319835793 /nfs/dbraw/zinc/83/57/93/1319835793.db2.gz NTMLQXQWWHQEBI-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL CC(C)C[C@H](NC(=O)c1cccc(Br)c1[O-])C(=O)[O-] ZINC001588905240 1348945172 /nfs/dbraw/zinc/94/51/72/1348945172.db2.gz HOGSGTJDDXNONU-JTQLQIEISA-N -2 0 330.178 2.384 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)C=C([O-])c2ccncc2Cl)cc1 ZINC001602391854 1350509744 /nfs/dbraw/zinc/50/97/44/1350509744.db2.gz BUYMDHBJGSVYHH-UHFFFAOYSA-N -2 0 339.756 2.090 20 0 EEADRL O=C([O-])CC1(CNS(=O)(=O)c2ccccc2[O-])CCCCC1 ZINC001608680624 1351740683 /nfs/dbraw/zinc/74/06/83/1351740683.db2.gz LDJDOPQFCSSSRP-UHFFFAOYSA-N -2 0 327.402 2.096 20 0 EEADRL O=C([O-])c1ccc(CNC(=O)c2cc(F)c([O-])c(F)c2)c(F)c1 ZINC001608884439 1351786437 /nfs/dbraw/zinc/78/64/37/1351786437.db2.gz SGRDSXSRKMWGJZ-UHFFFAOYSA-N -2 0 325.242 2.438 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnc(Cl)cc2Cl)o1 ZINC001608913696 1351792752 /nfs/dbraw/zinc/79/27/52/1351792752.db2.gz VCUMAUIYKYJUEA-UHFFFAOYSA-N -2 0 337.140 2.480 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)cn1 ZINC001608913729 1351792833 /nfs/dbraw/zinc/79/28/33/1351792833.db2.gz YIVSUJRDSLOTHK-UHFFFAOYSA-N -2 0 345.336 2.236 20 0 EEADRL CC(C)(C)c1ccc([N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)nn1 ZINC001609670515 1352054691 /nfs/dbraw/zinc/05/46/91/1352054691.db2.gz XSMFHJYCHQAJFO-UHFFFAOYSA-N -2 0 349.412 2.414 20 0 EEADRL CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2[nH]nc(C)c2[O-])cc1 ZINC001610384867 1352214183 /nfs/dbraw/zinc/21/41/83/1352214183.db2.gz QVDOQSXACJZWKD-LLVKDONJSA-N -2 0 335.385 2.091 20 0 EEADRL Cc1n[nH]c(C(=O)N[C@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])c1[O-] ZINC001610548277 1352243087 /nfs/dbraw/zinc/24/30/87/1352243087.db2.gz OQURFPVAQOZROR-TZMCWYRMSA-N -2 0 343.383 2.117 20 0 EEADRL Cc1nc(C)c(S(=O)(=O)[N-]c2c(C)ccc(C(=O)[O-])c2O)s1 ZINC001610553890 1352243907 /nfs/dbraw/zinc/24/39/07/1352243907.db2.gz QOMBOJREIHJTBF-UHFFFAOYSA-N -2 0 342.398 2.273 20 0 EEADRL O=C([O-])/C=C\c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2O)cc1 ZINC001610752411 1352268892 /nfs/dbraw/zinc/26/88/92/1352268892.db2.gz UQESMCVVFTWUOL-BAQGIRSFSA-N -2 0 337.328 2.430 20 0 EEADRL O=C([O-])c1ccc(O)cc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC001610836328 1352283056 /nfs/dbraw/zinc/28/30/56/1352283056.db2.gz JDSZRPDPALIFOB-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL O=S(=O)([N-]c1cccc2ccccc21)c1ccc(-c2nnn[n-]2)o1 ZINC001593445625 1349800945 /nfs/dbraw/zinc/80/09/45/1349800945.db2.gz DNAOVXMKCRXLSU-UHFFFAOYSA-N -2 0 341.352 2.414 20 0 EEADRL C[C@H]1CN(C(=O)c2cccc(Br)c2[O-])CC[C@H]1C(=O)[O-] ZINC001599925035 1349948860 /nfs/dbraw/zinc/94/88/60/1349948860.db2.gz BBUASTHHLCMTKY-DTWKUNHWSA-N -2 0 342.189 2.338 20 0 EEADRL Cc1cc(Cl)cc(C)c1S(=O)(=O)[N-]c1c(C(=O)[O-])cnn1C ZINC001600219179 1349995638 /nfs/dbraw/zinc/99/56/38/1349995638.db2.gz UXZRMMYDBNINFO-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2ncc(Cl)cc2C)cc1C(=O)[O-] ZINC001600221422 1349996063 /nfs/dbraw/zinc/99/60/63/1349996063.db2.gz ZGURNSRXRDTBHB-UHFFFAOYSA-N -2 0 330.749 2.444 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c(C(=O)[O-])[nH]1 ZINC001600281548 1350009951 /nfs/dbraw/zinc/00/99/51/1350009951.db2.gz GPRYGRWRBJUJLE-UHFFFAOYSA-N -2 0 337.332 2.443 20 0 EEADRL Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)s1 ZINC001600342640 1350024818 /nfs/dbraw/zinc/02/48/18/1350024818.db2.gz VYUASSWOTPUESL-UHFFFAOYSA-N -2 0 339.394 2.015 20 0 EEADRL Cc1ccc2ccc(OS(=O)(=O)c3cc(C(=O)[O-])n[n-]3)cc2c1 ZINC001600500772 1350067507 /nfs/dbraw/zinc/06/75/07/1350067507.db2.gz SWWYBAGSSQMFBX-UHFFFAOYSA-N -2 0 332.337 2.337 20 0 EEADRL Cc1csc(-c2cccc(C(=O)N(CCC(=O)[O-])CC(=O)[O-])c2)n1 ZINC001600645463 1350106623 /nfs/dbraw/zinc/10/66/23/1350106623.db2.gz OVJZYOWJGYRPDF-UHFFFAOYSA-N -2 0 348.380 2.120 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cc(C2CC2)nn1C ZINC001600654591 1350108759 /nfs/dbraw/zinc/10/87/59/1350108759.db2.gz JXGRRWFKDWCEHT-UHFFFAOYSA-N -2 0 341.414 2.166 20 0 EEADRL Cc1[nH]nc(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)c1[O-] ZINC001600665592 1350113007 /nfs/dbraw/zinc/11/30/07/1350113007.db2.gz JPUPDJXUHAFPAT-NWDGAFQWSA-N -2 0 349.774 2.018 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(C)(C)C)nn1C ZINC001600836846 1350148111 /nfs/dbraw/zinc/14/81/11/1350148111.db2.gz JMIQKWHZHLWUEX-UHFFFAOYSA-N -2 0 341.389 2.118 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2nc3cc(F)ccc3[nH]2)cc1C(=O)[O-] ZINC001600857443 1350153940 /nfs/dbraw/zinc/15/39/40/1350153940.db2.gz YRBASFCXRQLUIU-UHFFFAOYSA-N -2 0 339.304 2.102 20 0 EEADRL O=C([O-])[C@H](CNS(=O)(=O)c1cc([O-])cc(F)c1)CC1CCCC1 ZINC001601650546 1350328559 /nfs/dbraw/zinc/32/85/59/1350328559.db2.gz DMGKDOZTMNECEQ-NSHDSACASA-N -2 0 345.392 2.091 20 0 EEADRL O=C([O-])C1CC2(C1)CN(c1ccnc(C(F)(F)F)c1)C[C@H]2C(=O)[O-] ZINC001601782099 1350363557 /nfs/dbraw/zinc/36/35/57/1350363557.db2.gz QKCFZNLSMYGFPL-CFEOFWIRSA-N -2 0 344.289 2.102 20 0 EEADRL O=C([O-])/C=C\c1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)co1 ZINC001601870804 1350386124 /nfs/dbraw/zinc/38/61/24/1350386124.db2.gz DMAUVQDZQPGZSF-ZXIRTSTFSA-N -2 0 333.340 2.093 20 0 EEADRL O=C([O-])c1ccc(CCNC(=O)c2s[n-]c(=O)c2Cl)cc1 ZINC001602333599 1350496466 /nfs/dbraw/zinc/49/64/66/1350496466.db2.gz QCUQCLKYPNESOY-UHFFFAOYSA-N -2 0 326.761 2.173 20 0 EEADRL O=Cc1ccc(-c2ccc(C(=O)N[C@H](CCF)C(=O)[O-])c([O-])c2)o1 ZINC001602665630 1350569019 /nfs/dbraw/zinc/56/90/19/1350569019.db2.gz QYXHLWUIUJYRMY-GFCCVEGCSA-N -2 0 335.287 2.007 20 0 EEADRL CC(C)C[C@@H](CNC(=O)N1CCc2ccc(C(=O)[O-])cc2C1)C(=O)[O-] ZINC001603775936 1350765036 /nfs/dbraw/zinc/76/50/36/1350765036.db2.gz MARTYUQZVOLATL-AWEZNQCLSA-N -2 0 348.399 2.199 20 0 EEADRL C[C@H](NC(=O)c1s[n-]c(=O)c1Cl)c1ncc(C(=O)[O-])s1 ZINC001604320312 1350914749 /nfs/dbraw/zinc/91/47/49/1350914749.db2.gz XNFCLGZVYOZGDM-VKHMYHEASA-N -2 0 333.778 2.148 20 0 EEADRL CC1(C)CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001604532535 1350956648 /nfs/dbraw/zinc/95/66/48/1350956648.db2.gz VGSIEUWMWSNPOE-SECBINFHSA-N -2 0 345.442 2.468 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N(C)C(C)(C)C(=O)[O-])n1 ZINC001605832091 1351231722 /nfs/dbraw/zinc/23/17/22/1351231722.db2.gz DWIIOCYYSANYHI-UHFFFAOYSA-N -2 0 331.372 2.076 20 0 EEADRL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001607416515 1351491323 /nfs/dbraw/zinc/49/13/23/1351491323.db2.gz AFRRCLADDSADGP-GFCCVEGCSA-N -2 0 347.392 2.135 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cnc1C(F)F ZINC001607696763 1351541539 /nfs/dbraw/zinc/54/15/39/1351541539.db2.gz INSGUPJIJVQUEW-UHFFFAOYSA-N -2 0 345.327 2.165 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)nc(C)n3C)oc1C(=O)[O-] ZINC001607708095 1351543256 /nfs/dbraw/zinc/54/32/56/1351543256.db2.gz VQLSYODLXPSLED-UHFFFAOYSA-N -2 0 349.368 2.282 20 0 EEADRL Cc1cc(C(=O)[N-]S(=O)(=O)c2cc(C)ccc2C)oc1C(=O)[O-] ZINC001607764309 1351554025 /nfs/dbraw/zinc/55/40/25/1351554025.db2.gz AUVSEZJFJAQKGK-UHFFFAOYSA-N -2 0 337.353 2.022 20 0 EEADRL Cc1n[nH]c(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC001607937844 1351589886 /nfs/dbraw/zinc/58/98/86/1351589886.db2.gz ZSKIVZGTKMAITG-UHFFFAOYSA-N -2 0 343.792 2.487 20 0 EEADRL Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001607960353 1351593149 /nfs/dbraw/zinc/59/31/49/1351593149.db2.gz BWVKMDLHESXOKY-UHFFFAOYSA-N -2 0 340.788 2.471 20 0 EEADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1c(C)sc(C)c1C(=O)[O-] ZINC001607998345 1351600459 /nfs/dbraw/zinc/60/04/59/1351600459.db2.gz NILQPDDROPYILI-UHFFFAOYSA-N -2 0 343.430 2.214 20 0 EEADRL CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)c1cccc(F)c1[O-] ZINC001606161321 1404771309 /nfs/dbraw/zinc/77/13/09/1404771309.db2.gz QNMRVBQFFDCUQB-UHFFFAOYSA-N -2 0 333.315 2.267 20 0 EEADRL CC(C)(C)[C@H]1CCc2nnc(NCCOP(=O)([O-])[O-])cc2C1 ZINC001168589720 790655506 /nfs/dbraw/zinc/65/55/06/790655506.db2.gz NDWDKMSGNUHALZ-NSHDSACASA-N -2 0 329.337 2.149 20 0 EEADRL CC(=O)Nc1ccc(C(F)(F)F)cc1NCCOP(=O)([O-])[O-] ZINC001168591255 790759601 /nfs/dbraw/zinc/75/96/01/790759601.db2.gz LNUQOYNDCVQBKF-UHFFFAOYSA-N -2 0 342.210 2.185 20 0 EEADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CCC[C@H]2C2CCC2)c1 ZINC000906853451 784210128 /nfs/dbraw/zinc/21/01/28/784210128.db2.gz SCAPNXVUBYKPMW-LBPRGKRZSA-N -2 0 325.386 2.044 20 0 EEADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@H](C)C(F)(F)F)c1 ZINC000906985330 784300985 /nfs/dbraw/zinc/30/09/85/784300985.db2.gz CWCNJLKFMRJFPN-ZCFIWIBFSA-N -2 0 329.271 2.061 20 0 EEADRL O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)c3ncc4ccccc4c3O)[C@@H]2C1 ZINC000907956118 784985298 /nfs/dbraw/zinc/98/52/98/784985298.db2.gz BGYUCJXMSYMWFO-OXHZDVMGSA-N -2 0 326.352 2.170 20 0 EEADRL O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)c3cc(F)c([O-])c(Cl)c3)[C@@H]2C1 ZINC000907958361 784986849 /nfs/dbraw/zinc/98/68/49/784986849.db2.gz WBCPMRARHFOAFT-LQTJEWOUSA-N -2 0 327.739 2.414 20 0 EEADRL C[C@H](C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000910183812 786515717 /nfs/dbraw/zinc/51/57/17/786515717.db2.gz NISUYGYRIDXSNX-NDMJEZRESA-N -2 0 339.775 2.220 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)CC/C=C/c2ccccc2)C1 ZINC000910187522 786519657 /nfs/dbraw/zinc/51/96/57/786519657.db2.gz DNNBNZJHKOBOMV-JGNQBTRVSA-N -2 0 331.368 2.256 20 0 EEADRL O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1O)C2 ZINC000910340028 786670531 /nfs/dbraw/zinc/67/05/31/786670531.db2.gz MIMBTZJELMDBBB-ITMYJUKJSA-N -2 0 329.274 2.394 20 0 EEADRL CC(=O)[N-]S(=O)(=O)c1ccc(Nc2ccc(C(=O)[O-])s2)cc1 ZINC001174806666 797896740 /nfs/dbraw/zinc/89/67/40/797896740.db2.gz BMZCEPZOWPZOIR-UHFFFAOYSA-N -2 0 340.382 2.015 20 0 EEADRL CS(=O)(=O)c1cccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176241536 798392487 /nfs/dbraw/zinc/39/24/87/798392487.db2.gz KQWYMUAIUBGEPI-UHFFFAOYSA-N -2 0 335.337 2.230 20 0 EEADRL COC(=O)c1cccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1O ZINC001176241896 798392555 /nfs/dbraw/zinc/39/25/55/798392555.db2.gz CWAQMZKWHKMSJI-UHFFFAOYSA-N -2 0 331.280 2.319 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2c3c(nn2C)CCCC3)cc1C(=O)[O-] ZINC001184668388 802126856 /nfs/dbraw/zinc/12/68/56/802126856.db2.gz SKLOEZIYKNIDOW-UHFFFAOYSA-N -2 0 349.412 2.106 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cn(CC3CC3)cn2)cc1C(=O)[O-] ZINC001184667945 802127105 /nfs/dbraw/zinc/12/71/05/802127105.db2.gz OBDQGNKQGYLQFH-UHFFFAOYSA-N -2 0 335.385 2.101 20 0 EEADRL COc1cc2cnc(Cl)cc2cc1NCCOP(=O)([O-])[O-] ZINC001157795211 810415277 /nfs/dbraw/zinc/41/52/77/810415277.db2.gz HOAVUCNCCQSINE-UHFFFAOYSA-N -2 0 332.680 2.418 20 0 EEADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1)C1CCCC1 ZINC000863952337 939243476 /nfs/dbraw/zinc/24/34/76/939243476.db2.gz SKKBCTKALMKCMO-LBPRGKRZSA-N -2 0 345.804 2.036 20 0 EEADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c[nH]nc2c1 ZINC000325958983 971257062 /nfs/dbraw/zinc/25/70/62/971257062.db2.gz PCEHQAKASYSZOX-UHFFFAOYSA-N -2 0 347.352 2.071 20 0 EEADRL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ncccc2C(=O)[O-])c1 ZINC000391618836 951401016 /nfs/dbraw/zinc/40/10/16/951401016.db2.gz DLONHYAOSGWKHP-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL O=C([O-])Cn1cc(NC(=O)c2c(O)cnc3ccc(Cl)cc32)cn1 ZINC001574745309 957703059 /nfs/dbraw/zinc/70/30/59/957703059.db2.gz NRNPKWLCHKLGLQ-UHFFFAOYSA-N -2 0 346.730 2.127 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)nc1 ZINC000097895338 958352112 /nfs/dbraw/zinc/35/21/12/958352112.db2.gz JCWMRKMJSNFWIQ-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C2CC2)nn1C ZINC001185869135 960529015 /nfs/dbraw/zinc/52/90/15/960529015.db2.gz OOFOVXZOYQCUTC-UHFFFAOYSA-N -2 0 335.385 2.105 20 0 EEADRL CC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1O ZINC001198782351 960585945 /nfs/dbraw/zinc/58/59/45/960585945.db2.gz IDHCLGQJPBEVCU-UHFFFAOYSA-N -2 0 335.337 2.094 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccnn2C2CCC2)c1 ZINC001260210103 960705944 /nfs/dbraw/zinc/70/59/44/960705944.db2.gz AHZORIZSMDPFSQ-UHFFFAOYSA-N -2 0 339.348 2.246 20 0 EEADRL O=C([O-])CN(CCc1ccccc1)C(=O)c1cc(F)cc(F)c1[O-] ZINC001571227609 962600571 /nfs/dbraw/zinc/60/05/71/962600571.db2.gz BEANHFRFBLZYCP-UHFFFAOYSA-N -2 0 335.306 2.440 20 0 EEADRL C[C@@H](CN(C)C(=O)Nc1cccc(SCCC(=O)[O-])c1)C(=O)[O-] ZINC001592576712 978485592 /nfs/dbraw/zinc/48/55/92/978485592.db2.gz ZRIFEFHOELXEHR-JTQLQIEISA-N -2 0 340.401 2.438 20 0 EEADRL CC[C@@H](CC(F)F)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC001595041904 979230499 /nfs/dbraw/zinc/23/04/99/979230499.db2.gz GHYXKTLZCPRWOO-VIFPVBQESA-N -2 0 349.355 2.180 20 0 EEADRL CCC(CC)(NS(=O)(=O)c1cc(Cl)cnc1Cl)C(=O)[O-] ZINC001595101752 979411623 /nfs/dbraw/zinc/41/16/23/979411623.db2.gz CIJQGXYZTINDHR-UHFFFAOYSA-N -2 0 341.216 2.310 20 0 EEADRL CCC(CC)S(=O)(=O)[N-]C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001595121375 979489630 /nfs/dbraw/zinc/48/96/30/979489630.db2.gz KLNUROHCLOFQEH-UHFFFAOYSA-N -2 0 331.434 2.046 20 0 EEADRL CCCc1cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)n[nH]1 ZINC001596058428 983365719 /nfs/dbraw/zinc/36/57/19/983365719.db2.gz LLKVOZYRHORTAU-UHFFFAOYSA-N -2 0 345.327 2.139 20 0 EEADRL CCCc1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cn2C)s1 ZINC001596089642 983413421 /nfs/dbraw/zinc/41/34/21/983413421.db2.gz KMJCUQXQYWAPKQ-UHFFFAOYSA-N -2 0 343.430 2.242 20 0 EEADRL C/C(=C\C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C)C(C)(C)C ZINC001588942670 984637988 /nfs/dbraw/zinc/63/79/88/984637988.db2.gz QJIQCBOBUCWDRT-SOFGYWHQSA-N -2 0 329.374 2.084 20 0 EEADRL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)C(C)(C)C ZINC001589424342 986691447 /nfs/dbraw/zinc/69/14/47/986691447.db2.gz TWPXPXQJNQBWFC-JTQLQIEISA-N -2 0 327.402 2.013 20 0 EEADRL CCC(=O)c1ccc([O-])c(NC(=O)CCCn2ccc(C(=O)[O-])n2)c1 ZINC001594721096 987202709 /nfs/dbraw/zinc/20/27/09/987202709.db2.gz ODHPABNGXWEBQU-UHFFFAOYSA-N -2 0 345.355 2.299 20 0 EEADRL CCSCc1ccnc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC001597268404 987309406 /nfs/dbraw/zinc/30/94/06/987309406.db2.gz YFGHEOYELFHFPE-UHFFFAOYSA-N -2 0 341.414 2.162 20 0 EEADRL CC[C@@H](NC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1ccccc1 ZINC001597286081 987365487 /nfs/dbraw/zinc/36/54/87/987365487.db2.gz KLEKEUULTMKYKH-BFHYXJOUSA-N -2 0 334.372 2.097 20 0 EEADRL CCc1[nH]c(C(=O)N2CCC[C@](CC)(C(=O)[O-])C2)c(C)c1C(=O)[O-] ZINC001597361741 987522780 /nfs/dbraw/zinc/52/27/80/987522780.db2.gz VSHWMZUMXWSFID-KRWDZBQOSA-N -2 0 336.388 2.301 20 0 EEADRL CC(C)(CNC(=O)c1cc(Br)cc(F)c1[O-])C(=O)[O-] ZINC001590747328 990545668 /nfs/dbraw/zinc/54/56/68/990545668.db2.gz SWRBUNVAZNSECR-UHFFFAOYSA-N -2 0 334.141 2.134 20 0 EEADRL CC(C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001590970368 991103272 /nfs/dbraw/zinc/10/32/72/991103272.db2.gz WZNYHAISXLFONA-MRVPVSSYSA-N -2 0 333.793 2.135 20 0 EEADRL CC(C)N(C)c1ccccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001591561847 992767222 /nfs/dbraw/zinc/76/72/22/992767222.db2.gz DBADBKYNQOOWKZ-UHFFFAOYSA-N -2 0 337.401 2.358 20 0 EEADRL C[C@@H]1CCC[C@]1(C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001594357362 999351492 /nfs/dbraw/zinc/35/14/92/999351492.db2.gz LXGRBMKSMAIEFD-OQPBUACISA-N -2 0 331.415 2.078 20 0 EEADRL O=C([O-])[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)C1CCCC1 ZINC001549304330 1121197389 /nfs/dbraw/zinc/19/73/89/1121197389.db2.gz RNXMZYPCSMKIAF-ARFHVFGLSA-N -2 0 345.395 2.204 20 0 EEADRL Cc1nc(C=Cc2cnn(CC(F)(F)F)c2)[nH]c(=O)c1CC(=O)[O-] ZINC000349107592 539861178 /nfs/dbraw/zinc/86/11/78/539861178.db2.gz KFKBMDJUERFATI-NSCUHMNNSA-N -2 0 342.277 2.047 20 0 EEADRL Cc1cc(C(=O)Nc2ccc3[nH]ccc3c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000072859467 216318919 /nfs/dbraw/zinc/31/89/19/216318919.db2.gz YTHVFCKIZOABRD-UHFFFAOYSA-N -2 0 335.323 2.066 20 0 EEADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)CCC(=O)[O-])n2)cc1 ZINC000262845242 245209821 /nfs/dbraw/zinc/20/98/21/245209821.db2.gz DVCZAYDREDPDRB-UHFFFAOYSA-N -2 0 331.372 2.248 20 0 EEADRL Cc1nc(-c2ccc(S(=O)(=O)N[C@@H](C)CC(=O)[O-])s2)cs1 ZINC000270425777 256133868 /nfs/dbraw/zinc/13/38/68/256133868.db2.gz GSHAKZRRCNOIRN-ZETCQYMHSA-N -2 0 346.455 2.322 20 0 EEADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000110590283 159360803 /nfs/dbraw/zinc/36/08/03/159360803.db2.gz USTJCKQFMYYBQL-UHFFFAOYSA-N -2 0 334.357 2.007 20 0 EEADRL Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)s1 ZINC000185568244 160041426 /nfs/dbraw/zinc/04/14/26/160041426.db2.gz QBDHTVOFWUPUGG-UHFFFAOYSA-N -2 0 326.399 2.188 20 0 EEADRL CCc1ncc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)s1 ZINC000359085301 164055036 /nfs/dbraw/zinc/05/50/36/164055036.db2.gz KPNUWCDDBPTAJT-UHFFFAOYSA-N -2 0 330.362 2.344 20 0 EEADRL C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000360499697 164324181 /nfs/dbraw/zinc/32/41/81/164324181.db2.gz HMDMREHNBIWHNK-SNVBAGLBSA-N -2 0 333.365 2.230 20 0 EEADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2O)cc1 ZINC000360604897 164349614 /nfs/dbraw/zinc/34/96/14/164349614.db2.gz NYZOZJWIOTYHLE-UHFFFAOYSA-N -2 0 339.344 2.349 20 0 EEADRL CCc1ccc([N-]S(=O)(=O)c2cccc3c2OCO3)c(C(=O)[O-])c1 ZINC000509076174 316385012 /nfs/dbraw/zinc/38/50/12/316385012.db2.gz XMOJMPPEAHJPLV-UHFFFAOYSA-N -2 0 349.364 2.477 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])s1 ZINC000534881079 468279376 /nfs/dbraw/zinc/27/93/76/468279376.db2.gz IIVMRMWCCIEAKJ-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC2CC2)c1 ZINC000076082358 462803264 /nfs/dbraw/zinc/80/32/64/462803264.db2.gz YMXFBGAVSFVKPQ-UHFFFAOYSA-N -2 0 335.385 2.101 20 0 EEADRL COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000031665359 463349021 /nfs/dbraw/zinc/34/90/21/463349021.db2.gz RKNZUMVZATZWGM-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cccc3c2OCO3)ccc1C(=O)[O-] ZINC000337773679 465570636 /nfs/dbraw/zinc/57/06/36/465570636.db2.gz WLMRLZWSXQVMRB-UHFFFAOYSA-N -2 0 335.337 2.223 20 0 EEADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C(F)F)c1 ZINC000361777266 466278771 /nfs/dbraw/zinc/27/87/71/466278771.db2.gz RPCWOLCSPAXUMH-UHFFFAOYSA-N -2 0 345.327 2.340 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cccc3c2OCCO3)ccc1C(=O)[O-] ZINC000350011059 466350935 /nfs/dbraw/zinc/35/09/35/466350935.db2.gz QDQHCDKMTPGGQS-UHFFFAOYSA-N -2 0 349.364 2.265 20 0 EEADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000350298631 466452671 /nfs/dbraw/zinc/45/26/71/466452671.db2.gz DAABYUVZTGMTHG-UHFFFAOYSA-N -2 0 331.346 2.395 20 0 EEADRL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000350730950 466590536 /nfs/dbraw/zinc/59/05/36/466590536.db2.gz WVQHZHIFQCPOIY-UHFFFAOYSA-N -2 0 349.290 2.294 20 0 EEADRL CCN(c1ccccc1F)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000433526819 467337681 /nfs/dbraw/zinc/33/76/81/467337681.db2.gz XEJVPFGLSLWLND-UHFFFAOYSA-N -2 0 339.344 2.445 20 0 EEADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2scnc2C2CC2)c1 ZINC000436701721 467550898 /nfs/dbraw/zinc/55/08/98/467550898.db2.gz ANBZGLQRNHKNAI-UHFFFAOYSA-N -2 0 340.382 2.225 20 0 EEADRL CC(C)c1nn(C)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1F ZINC000585119190 468979996 /nfs/dbraw/zinc/97/99/96/468979996.db2.gz VYCPMILUHRRIBQ-UHFFFAOYSA-N -2 0 341.364 2.182 20 0 EEADRL CC(C)(C(=O)[O-])n1ccc(NC(=O)C2(C(=O)[O-])CCCCCC2)n1 ZINC000663140308 472370658 /nfs/dbraw/zinc/37/06/58/472370658.db2.gz ZYWMDCRXLVAWEC-UHFFFAOYSA-N -2 0 337.376 2.067 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cnn(C)c2C(F)F)ccc1C(=O)[O-] ZINC000671660758 485967434 /nfs/dbraw/zinc/96/74/34/485967434.db2.gz PBCADWRCNXESAG-UHFFFAOYSA-N -2 0 345.327 2.165 20 0 EEADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-]c2ccsc2)c1 ZINC000737682388 576194563 /nfs/dbraw/zinc/19/45/63/576194563.db2.gz MCHSDIABPPIJGB-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)cc(C(=O)[O-])c1F ZINC000766376997 577518092 /nfs/dbraw/zinc/51/80/92/577518092.db2.gz XBCGHNCPCFEVAS-UHFFFAOYSA-N -2 0 349.290 2.225 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2c(F)cccc2F)sc1C(=O)[O-] ZINC000738865539 578029241 /nfs/dbraw/zinc/02/92/41/578029241.db2.gz RVWWCUFMDJXPEJ-UHFFFAOYSA-N -2 0 334.325 2.229 20 0 EEADRL O=C([O-])COc1ccc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000739823173 578069053 /nfs/dbraw/zinc/06/90/53/578069053.db2.gz GILKDQWDPQCDNG-OAHLLOKOSA-N -2 0 343.335 2.347 20 0 EEADRL C/C(=C\C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1ccccc1Cl ZINC000736120436 578181956 /nfs/dbraw/zinc/18/19/56/578181956.db2.gz IIMAVPGRBNAZEK-MDZDMXLPSA-N -2 0 345.804 2.054 20 0 EEADRL CC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000736903992 578229332 /nfs/dbraw/zinc/22/93/32/578229332.db2.gz FJIYPJWSACKZMW-ZDUSSCGKSA-N -2 0 333.450 2.294 20 0 EEADRL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccn1 ZINC000316090140 600981829 /nfs/dbraw/zinc/98/18/29/600981829.db2.gz AMEKNRPEQZUFGP-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2cccc3ncccc32)c1 ZINC000322181092 600982440 /nfs/dbraw/zinc/98/24/40/600982440.db2.gz AZCPCTYJQPUQDV-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccccc1F ZINC000831945510 601150118 /nfs/dbraw/zinc/15/01/18/601150118.db2.gz JHIUBLPHCIFABE-UHFFFAOYSA-N -2 0 331.346 2.395 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c(C)s1 ZINC000832902784 601237679 /nfs/dbraw/zinc/23/76/79/601237679.db2.gz IIIHXFCHGABXQW-GHMZBOCLSA-N -2 0 345.442 2.061 20 0 EEADRL Cn1cc(NC(=O)c2ccc3c(c2O)OC(C)(C)C3)cc1C(=O)[O-] ZINC000833052178 601760921 /nfs/dbraw/zinc/76/09/21/601760921.db2.gz PXTNCLJARURYCV-UHFFFAOYSA-N -2 0 330.340 2.395 20 0 EEADRL O=C([O-])CCCc1csc([N-]S(=O)(=O)c2ccccc2F)n1 ZINC000387894320 601770853 /nfs/dbraw/zinc/77/08/53/601770853.db2.gz QHLAQPHKQSBMNJ-UHFFFAOYSA-N -2 0 344.389 2.490 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3nccnc23)ccc1F ZINC001186184665 1278981737 /nfs/dbraw/zinc/98/17/37/1278981737.db2.gz ZXIFREUCUFNITD-UHFFFAOYSA-N -2 0 347.327 2.268 20 0 EEADRL O=C(Nc1cnn(C(F)F)c1)c1ccccc1OP(=O)([O-])[O-] ZINC001189871905 1280531601 /nfs/dbraw/zinc/53/16/01/1280531601.db2.gz PMZAVCTVVQQLRW-UHFFFAOYSA-N -2 0 333.187 2.002 20 0 EEADRL O=C(N[C@@H]1CCCc2cnccc21)c1ccccc1OP(=O)([O-])[O-] ZINC001189899048 1280570283 /nfs/dbraw/zinc/57/02/83/1280570283.db2.gz JRVGHAJRMZUZNY-CQSZACIVSA-N -2 0 348.295 2.361 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])n(CC2CC2)n1 ZINC001198746781 1285316638 /nfs/dbraw/zinc/31/66/38/1285316638.db2.gz MCVBTCUKVBQPJE-UHFFFAOYSA-N -2 0 335.385 2.101 20 0 EEADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccccc1Cl ZINC000863414127 1296269350 /nfs/dbraw/zinc/26/93/50/1296269350.db2.gz SBJOTTFMZMGENK-MUWHJKNJSA-N -2 0 345.726 2.336 20 0 EEADRL CCCNC(=O)c1cccnc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242160629 1309622796 /nfs/dbraw/zinc/62/27/96/1309622796.db2.gz MSQPPWOZMFKRMM-UHFFFAOYSA-N -2 0 328.324 2.285 20 0 EEADRL O=C1[N-]S(=O)(=O)c2ccc(-c3cc(F)c([O-])c(Cl)c3)cc21 ZINC001244499100 1309951523 /nfs/dbraw/zinc/95/15/23/1309951523.db2.gz FHLREQJCAMCFHO-UHFFFAOYSA-N -2 0 327.720 2.284 20 0 EEADRL O=C1[N-]S(=O)(=O)c2ccc(-c3ccc(Cl)c([O-])c3F)cc21 ZINC001244629550 1309963641 /nfs/dbraw/zinc/96/36/41/1309963641.db2.gz JLRLQONYEIMLQD-UHFFFAOYSA-N -2 0 327.720 2.284 20 0 EEADRL O=S(=O)([N-]c1cccc(CO)n1)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260869486 1319993147 /nfs/dbraw/zinc/99/31/47/1319993147.db2.gz ULNFEJOWNCIBEF-UHFFFAOYSA-N -2 0 349.195 2.387 20 0 EEADRL O=P([O-])([O-])OCCNc1nc(-c2ccccn2)nc2ccccc21 ZINC001157796082 1318867961 /nfs/dbraw/zinc/86/79/61/1318867961.db2.gz VNOWUVJRHMSTMI-UHFFFAOYSA-N -2 0 346.283 2.213 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cnc(Cl)c(F)c2)c1 ZINC001260184141 1319817872 /nfs/dbraw/zinc/81/78/72/1319817872.db2.gz VBDCXPBOQYLOOS-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)no2)c1 ZINC001260183372 1319818642 /nfs/dbraw/zinc/81/86/42/1319818642.db2.gz NOTRYCBFHLXXHX-UHFFFAOYSA-N -2 0 336.247 2.192 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)no2)cc1 ZINC001260221591 1319835405 /nfs/dbraw/zinc/83/54/05/1319835405.db2.gz JOXVIKPAPHXQQN-UHFFFAOYSA-N -2 0 336.247 2.192 20 0 EEADRL C[C@H](CS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)C(C)(C)C ZINC001604209135 1350893409 /nfs/dbraw/zinc/89/34/09/1350893409.db2.gz GBFHBIDTZZBANO-WOPDTQHZSA-N -2 0 333.450 2.006 20 0 EEADRL O=C([O-])C[C@H]1CCCN(c2cc(C(F)(F)F)c(C(=O)[O-])cn2)C1 ZINC001608694555 1351743194 /nfs/dbraw/zinc/74/31/94/1351743194.db2.gz GFNIBYMFVXFIFO-MRVPVSSYSA-N -2 0 332.278 2.490 20 0 EEADRL O=C([O-])CCN(CC(=O)[O-])C(=O)c1cc2c(s1)CCCCC2 ZINC001608721048 1351749007 /nfs/dbraw/zinc/74/90/07/1351749007.db2.gz UVVMFEQXMPQLEZ-UHFFFAOYSA-N -2 0 325.386 2.019 20 0 EEADRL O=C([O-])Cc1occc1C(=O)Nc1nccc(Br)c1[O-] ZINC001608794579 1351765421 /nfs/dbraw/zinc/76/54/21/1351765421.db2.gz JHXYOLPMSKMMJB-UHFFFAOYSA-N -2 0 341.117 2.022 20 0 EEADRL O=C([O-])c1c(Cl)cccc1S(=O)(=O)[N-]C(=O)C1(C2CC2)CC1 ZINC001608827745 1351773212 /nfs/dbraw/zinc/77/32/12/1351773212.db2.gz XHWUIBWCGBNNTH-UHFFFAOYSA-N -2 0 343.788 2.033 20 0 EEADRL O=C([O-])c1cc(C(=O)[N-]c2nnc(Cc3cccc(F)c3)s2)on1 ZINC001608837868 1351775179 /nfs/dbraw/zinc/77/51/79/1351775179.db2.gz GZBLXZKOFATAIO-UHFFFAOYSA-N -2 0 348.315 2.207 20 0 EEADRL O=C([O-])c1ccc(CNC(=O)C2(C(=O)[O-])CCCCCC2)s1 ZINC001608883681 1351786225 /nfs/dbraw/zinc/78/62/25/1351786225.db2.gz ZZMVBOCXLCCSJY-UHFFFAOYSA-N -2 0 325.386 2.488 20 0 EEADRL CC(C)(C)C(C)(C)C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001609653568 1352050755 /nfs/dbraw/zinc/05/07/55/1352050755.db2.gz DRNDNVZCBIHZLN-UHFFFAOYSA-N -2 0 341.429 2.403 20 0 EEADRL CCC(CC)[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001609917629 1352119296 /nfs/dbraw/zinc/11/92/96/1352119296.db2.gz REIXNXUXYYQBGC-SNVBAGLBSA-N -2 0 327.402 2.262 20 0 EEADRL CCc1nc([N-]S(=O)(=O)c2ccc(Cl)nc2)sc1C(=O)[O-] ZINC001610072423 1352155614 /nfs/dbraw/zinc/15/56/14/1352155614.db2.gz HPUUKAUHRUSMJI-UHFFFAOYSA-N -2 0 347.805 2.253 20 0 EEADRL CN(C(=O)c1nn(-c2ccccc2F)cc1[O-])C(C)(C)CC(=O)[O-] ZINC001610096845 1352161136 /nfs/dbraw/zinc/16/11/36/1352161136.db2.gz FRJUKXBPDJYGMR-UHFFFAOYSA-N -2 0 335.335 2.042 20 0 EEADRL CSc1c[nH]nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC001610383147 1352213808 /nfs/dbraw/zinc/21/38/08/1352213808.db2.gz CWWZNUWWWXEFEL-UHFFFAOYSA-N -2 0 341.414 2.247 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cnn1CC(C)C ZINC001610427366 1352221143 /nfs/dbraw/zinc/22/11/43/1352221143.db2.gz UKTJBNCCSZGOAE-UHFFFAOYSA-N -2 0 343.430 2.408 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)c(C)o1 ZINC001610478152 1352229331 /nfs/dbraw/zinc/22/93/31/1352229331.db2.gz REDATCFTGTWRGA-UHFFFAOYSA-N -2 0 325.342 2.161 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C)cc1C(=O)[O-] ZINC001610587319 1352249836 /nfs/dbraw/zinc/24/98/36/1352249836.db2.gz IHSZBSVABOZWON-UHFFFAOYSA-N -2 0 341.389 2.248 20 0 EEADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)C(F)=C2CCCC2)cc1 ZINC001610701998 1352261653 /nfs/dbraw/zinc/26/16/53/1352261653.db2.gz SYCDNHPMRBJLCI-UHFFFAOYSA-N -2 0 341.360 2.128 20 0 EEADRL Cc1cc(Cl)cnc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001600221417 1349996010 /nfs/dbraw/zinc/99/60/10/1349996010.db2.gz ZBYRMCYECJJZPK-UHFFFAOYSA-N -2 0 340.788 2.471 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1COC(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC001600348685 1350025892 /nfs/dbraw/zinc/02/58/92/1350025892.db2.gz ZJNUHDMUUOJTPW-UHFFFAOYSA-N -2 0 346.383 2.125 20 0 EEADRL Cc1cccc2nc(N3C[C@@H](C(=O)[O-])C4(CC(C(=O)[O-])C4)C3)oc21 ZINC001600561032 1350083017 /nfs/dbraw/zinc/08/30/17/1350083017.db2.gz YDBZHPHSVISADF-GCULGPDHSA-N -2 0 330.340 2.138 20 0 EEADRL Cc1[nH]nc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)c1[O-] ZINC001600667447 1350113472 /nfs/dbraw/zinc/11/34/72/1350113472.db2.gz TYSPKDPHSWQUML-UHFFFAOYSA-N -2 0 335.385 2.384 20 0 EEADRL Cn1cc([N-]S(=O)(=O)c2cccc(C(F)F)c2)cc1C(=O)[O-] ZINC001600966604 1350178852 /nfs/dbraw/zinc/17/88/52/1350178852.db2.gz QADWOFOSIIDNJF-UHFFFAOYSA-N -2 0 330.312 2.462 20 0 EEADRL Cn1cnc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)ccc21 ZINC001600993243 1350184943 /nfs/dbraw/zinc/18/49/43/1350184943.db2.gz JGLFRANCLIWVPI-UHFFFAOYSA-N -2 0 349.343 2.211 20 0 EEADRL O=C([O-])[C@@H](CC1CCOCC1)NC(=O)c1ccc(Cl)c([O-])c1 ZINC001601413052 1350279297 /nfs/dbraw/zinc/27/92/97/1350279297.db2.gz PQVJKQGMDVAEOV-GFCCVEGCSA-N -2 0 327.764 2.045 20 0 EEADRL O=C([O-])c1ccsc1NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001601634833 1350324735 /nfs/dbraw/zinc/32/47/35/1350324735.db2.gz FIIWJALPNKUUCI-UHFFFAOYSA-N -2 0 331.309 2.042 20 0 EEADRL O=C([O-])C1(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)CC2(CCC2)C1 ZINC001601702101 1350342442 /nfs/dbraw/zinc/34/24/42/1350342442.db2.gz KOWPASMNEATMEE-UHFFFAOYSA-N -2 0 342.355 2.151 20 0 EEADRL O=C([O-])C1(CS(=O)(=O)[N-]c2cccc3c[nH]nc32)CCCCC1 ZINC001601716216 1350346460 /nfs/dbraw/zinc/34/64/60/1350346460.db2.gz PRBAIMATGUFTMW-UHFFFAOYSA-N -2 0 337.401 2.340 20 0 EEADRL O=C([O-])C1(CS(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)CCCC1 ZINC001601716508 1350347147 /nfs/dbraw/zinc/34/71/47/1350347147.db2.gz YCSJBJIAAOLAPH-UHFFFAOYSA-N -2 0 349.412 2.259 20 0 EEADRL O=C([O-])CCNC(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC001602023141 1350420405 /nfs/dbraw/zinc/42/04/05/1350420405.db2.gz FJMTWVZFXUMJKQ-UHFFFAOYSA-N -2 0 349.368 2.033 20 0 EEADRL O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC001602108054 1350440321 /nfs/dbraw/zinc/44/03/21/1350440321.db2.gz RMJKXIUQRHOAMC-CMPLNLGQSA-N -2 0 347.346 2.090 20 0 EEADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1cnn(C2CCC2)c1 ZINC001602230165 1350471355 /nfs/dbraw/zinc/47/13/55/1350471355.db2.gz OGTXZCMZQYWAHJ-UHFFFAOYSA-N -2 0 339.348 2.246 20 0 EEADRL CC(C)c1[nH]ccc1C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001603988761 1350822334 /nfs/dbraw/zinc/82/23/34/1350822334.db2.gz YOCYGNDYZDIYQL-UHFFFAOYSA-N -2 0 342.398 2.017 20 0 EEADRL CC(C)c1ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1Cl ZINC001603996952 1350824258 /nfs/dbraw/zinc/82/42/58/1350824258.db2.gz OUMXOFNSQLAGBG-UHFFFAOYSA-N -2 0 347.820 2.388 20 0 EEADRL CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)n[nH]1 ZINC001605208680 1351103659 /nfs/dbraw/zinc/10/36/59/1351103659.db2.gz UTBDPPJHTWPYNK-SECBINFHSA-N -2 0 338.389 2.207 20 0 EEADRL Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)s1 ZINC001605682916 1351215575 /nfs/dbraw/zinc/21/55/75/1351215575.db2.gz FBKILVBFDDJISV-UHFFFAOYSA-N -2 0 339.377 2.177 20 0 EEADRL COCc1nc(NC(=O)c2s[n-]c(=O)c2Cl)sc1C(=O)[O-] ZINC001606977630 1351389939 /nfs/dbraw/zinc/38/99/39/1351389939.db2.gz DNTPZPPCQOWVJO-UHFFFAOYSA-N -2 0 349.777 2.056 20 0 EEADRL COc1cc(C(=O)[O-])ccc1CCNC(=O)c1ccc(F)cc1[O-] ZINC001607115483 1351425001 /nfs/dbraw/zinc/42/50/01/1351425001.db2.gz LEFQHAVFNVHJJA-UHFFFAOYSA-N -2 0 333.315 2.211 20 0 EEADRL CSc1cccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)n1 ZINC001607411495 1351490455 /nfs/dbraw/zinc/49/04/55/1351490455.db2.gz OZKLRCWFLGVCBV-UHFFFAOYSA-N -2 0 342.373 2.442 20 0 EEADRL Cc1ccc(NS(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1C(=O)[O-] ZINC001607809628 1351563755 /nfs/dbraw/zinc/56/37/55/1351563755.db2.gz XSXJFFGFZTZXGN-YPMHNXCESA-N -2 0 341.385 2.078 20 0 EEADRL Cc1cccc(F)c1S(=O)(=O)[N-]c1nc(CCC(=O)[O-])cs1 ZINC001607855168 1351572369 /nfs/dbraw/zinc/57/23/69/1351572369.db2.gz KDHKLWLYXWDAJK-UHFFFAOYSA-N -2 0 344.389 2.409 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cnn(C)c1C1CC1 ZINC001607927447 1351587400 /nfs/dbraw/zinc/58/74/00/1351587400.db2.gz JQNCPNUXDWXYEM-UHFFFAOYSA-N -2 0 341.414 2.166 20 0 EEADRL Cc1nc(N2CC[C@](C(=O)[O-])(c3ccccc3)C2)sc1C(=O)[O-] ZINC001607959593 1351593026 /nfs/dbraw/zinc/59/30/26/1351593026.db2.gz BENASIOVDQKUOK-MRXNPFEDSA-N -2 0 332.381 2.382 20 0 EEADRL N#Cc1ccsc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000036983792 1352393932 /nfs/dbraw/zinc/39/39/32/1352393932.db2.gz UPLRQWNFCZLTGJ-UHFFFAOYSA-N -2 0 326.330 2.258 20 0 EEADRL Cc1cc(F)nc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC001195204733 1368510048 /nfs/dbraw/zinc/51/00/48/1368510048.db2.gz ADTWDFJJXUTWJR-UHFFFAOYSA-N -2 0 346.286 2.306 20 0 EEADRL COc1cc(C(C)=O)ccc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198778543 1368645251 /nfs/dbraw/zinc/64/52/51/1368645251.db2.gz GLQREDIFYUICIR-UHFFFAOYSA-N -2 0 349.364 2.397 20 0 EEADRL Cc1cc(Nc2ccc(C(=O)NCC(=O)[O-])cc2)cc(C(=O)[O-])c1 ZINC001211549188 760458255 /nfs/dbraw/zinc/45/82/55/760458255.db2.gz GHXWZJPTQBSZBR-UHFFFAOYSA-N -2 0 328.324 2.251 20 0 EEADRL Cc1noc(C)c1S(=O)(=O)[N-]c1cc(F)c(C(=O)[O-])c(F)c1 ZINC000317320825 776227367 /nfs/dbraw/zinc/22/73/67/776227367.db2.gz UQTYUNQORRSPQE-UHFFFAOYSA-N -2 0 332.284 2.069 20 0 EEADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CCC[C@H]3CCC[C@@H]32)c1 ZINC000906877665 784205520 /nfs/dbraw/zinc/20/55/20/784205520.db2.gz YCJVUGUHSHSNDT-PWSUYJOCSA-N -2 0 325.386 2.044 20 0 EEADRL C[C@H](CC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-])C1CCCCC1 ZINC000910188199 786520253 /nfs/dbraw/zinc/52/02/53/786520253.db2.gz JOIWUJCRFHQRKT-BNOWGMLFSA-N -2 0 325.405 2.369 20 0 EEADRL N=c1c(N)c(Cl)c(Cl)cn1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176238948 798390713 /nfs/dbraw/zinc/39/07/13/798390713.db2.gz LGRSVCTUAXMOIX-UHFFFAOYSA-N -2 0 342.138 2.242 20 0 EEADRL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nc2)cc1Cl ZINC000387608913 972129533 /nfs/dbraw/zinc/12/95/33/972129533.db2.gz AJXJRMUYWXDORD-UHFFFAOYSA-N -2 0 337.744 2.106 20 0 EEADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000863957883 955926008 /nfs/dbraw/zinc/92/60/08/955926008.db2.gz WFQKZNOUZCZNAT-UHFFFAOYSA-N -2 0 333.431 2.061 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cl)n2)cc1F ZINC000314125071 963715078 /nfs/dbraw/zinc/71/50/78/963715078.db2.gz LCPRVIXUMDRURC-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc3c2N=S=N3)cn1 ZINC000316759616 964051371 /nfs/dbraw/zinc/05/13/71/964051371.db2.gz KDRXOFRBLKVQTH-UHFFFAOYSA-N -2 0 336.354 2.307 20 0 EEADRL Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2c(C(=O)[O-])cnn2C)c1C ZINC000319926749 970590150 /nfs/dbraw/zinc/59/01/50/970590150.db2.gz ATHKLPZVFBZLRI-UHFFFAOYSA-N -2 0 337.401 2.153 20 0 EEADRL CC[C@H](CNC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C(=O)[O-] ZINC001603567864 973699395 /nfs/dbraw/zinc/69/93/95/973699395.db2.gz KMZSYBOSCXBGKZ-SECBINFHSA-N -2 0 337.763 2.072 20 0 EEADRL CCC1(C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CCCC1 ZINC001595366997 980817672 /nfs/dbraw/zinc/81/76/72/980817672.db2.gz UTIGHEGHMWEUGT-UHFFFAOYSA-N -2 0 339.413 2.301 20 0 EEADRL CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001595632238 981852243 /nfs/dbraw/zinc/85/22/43/981852243.db2.gz UINIAPSYRKFYCV-NSHDSACASA-N -2 0 327.402 2.406 20 0 EEADRL CC[C@](C)(NC(=O)c1cc(Br)c(F)cc1[O-])C(=O)[O-] ZINC001594841560 982055528 /nfs/dbraw/zinc/05/55/28/982055528.db2.gz AQAOZCIIGHSEKT-LBPRGKRZSA-N -2 0 334.141 2.277 20 0 EEADRL CCCCCC(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001595662635 982080110 /nfs/dbraw/zinc/08/01/10/982080110.db2.gz HROJARDTWIIEFS-UHFFFAOYSA-N -2 0 335.328 2.048 20 0 EEADRL CCCCC[C@H](C)NC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001595666346 982099804 /nfs/dbraw/zinc/09/98/04/982099804.db2.gz IQWDEEQVLQFGOG-IRSUPMPHSA-N -2 0 340.420 2.162 20 0 EEADRL CCCCc1cnc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)nc1 ZINC001595796295 982601016 /nfs/dbraw/zinc/60/10/16/982601016.db2.gz BTDXYYAPFBZUMR-UHFFFAOYSA-N -2 0 341.414 2.380 20 0 EEADRL CCCc1cnc([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)s1 ZINC001596081945 983396593 /nfs/dbraw/zinc/39/65/93/983396593.db2.gz GRCUWPMQLOZPED-UHFFFAOYSA-N -2 0 341.414 2.298 20 0 EEADRL C/C(=C\C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)C(C)(C)C ZINC001588942666 984638215 /nfs/dbraw/zinc/63/82/15/984638215.db2.gz QIUSYOIJUBHBMM-DHZHZOJOSA-N -2 0 339.413 2.323 20 0 EEADRL CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1 ZINC001589189979 985589118 /nfs/dbraw/zinc/58/91/18/985589118.db2.gz QJTIEBDAJCIXHA-UHFFFAOYSA-N -2 0 338.341 2.045 20 0 EEADRL CC(=O)c1ccccc1[N-]S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001589316596 986113119 /nfs/dbraw/zinc/11/31/19/986113119.db2.gz ULIFATMDMADUPH-UHFFFAOYSA-N -2 0 334.353 2.092 20 0 EEADRL C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])cc1 ZINC001589511377 987139129 /nfs/dbraw/zinc/13/91/29/987139129.db2.gz BJIXSXDGPWBING-DJOIZQNCSA-N -2 0 329.352 2.336 20 0 EEADRL CC(C)(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC001589741659 988014350 /nfs/dbraw/zinc/01/43/50/988014350.db2.gz BMEXMZNPEJKLSY-SECBINFHSA-N -2 0 349.430 2.004 20 0 EEADRL CSc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cn1 ZINC001599819669 988490186 /nfs/dbraw/zinc/49/01/86/988490186.db2.gz BRZXYAWXYOSOOF-UHFFFAOYSA-N -2 0 342.373 2.442 20 0 EEADRL CCc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cc1 ZINC001597617150 988542693 /nfs/dbraw/zinc/54/26/93/988542693.db2.gz VEWDSRMLVXYPAM-UHFFFAOYSA-N -2 0 333.365 2.066 20 0 EEADRL CCc1ccsc1C(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001597626458 988578468 /nfs/dbraw/zinc/57/84/68/988578468.db2.gz RIVKPWWNXHCYTA-UHFFFAOYSA-N -2 0 343.382 2.029 20 0 EEADRL CC(C)(C)n1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001590604849 990266960 /nfs/dbraw/zinc/26/69/60/990266960.db2.gz ARTCVWSNAFHIIT-UHFFFAOYSA-N -2 0 341.364 2.276 20 0 EEADRL CC(C)C[C@@H](CNC(=O)Nc1nc(CCC(=O)[O-])cs1)C(=O)[O-] ZINC001591150952 991895469 /nfs/dbraw/zinc/89/54/69/991895469.db2.gz WQGHKGVBXRMIQS-VIFPVBQESA-N -2 0 343.405 2.029 20 0 EEADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(C)cnc1C ZINC001599387909 996979042 /nfs/dbraw/zinc/97/90/42/996979042.db2.gz SNMSQDKJYAYEAR-UHFFFAOYSA-N -2 0 342.398 2.268 20 0 EEADRL Cc1[n-]n([C@H](C)CCc2ccc3c(c2)OCO3)c(=O)c1CC(=O)[O-] ZINC001594115087 998247201 /nfs/dbraw/zinc/24/72/01/998247201.db2.gz YENLTTUQTABGNQ-ZWNOBZJWSA-N -2 0 332.356 2.045 20 0 EEADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c[nH]nc1C ZINC000267870689 256093251 /nfs/dbraw/zinc/09/32/51/256093251.db2.gz LSVHLGYAQLOHTK-UHFFFAOYSA-N -2 0 339.373 2.006 20 0 EEADRL Cc1oncc1[N-]S(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000358882430 164007928 /nfs/dbraw/zinc/00/79/28/164007928.db2.gz AOTQVXRSGUSQGO-UHFFFAOYSA-N -2 0 330.749 2.444 20 0 EEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1O ZINC000360617795 164352851 /nfs/dbraw/zinc/35/28/51/164352851.db2.gz GRAAAKGJLAVOTK-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)[O-])nc1C ZINC000315312120 311589122 /nfs/dbraw/zinc/58/91/22/311589122.db2.gz ZYISWJJOUHZWJI-UHFFFAOYSA-N -2 0 343.792 2.364 20 0 EEADRL O=C(c1cc(F)cc(Cl)c1[O-])N1CCCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000333255379 312119654 /nfs/dbraw/zinc/11/96/54/312119654.db2.gz LEAMLHTZYYLICD-JTQLQIEISA-N -2 0 340.742 2.376 20 0 EEADRL O=C([O-])Cc1cccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])c1 ZINC000562230982 318862057 /nfs/dbraw/zinc/86/20/57/318862057.db2.gz CLVIZIWAQZAOBZ-UHFFFAOYSA-N -2 0 337.335 2.457 20 0 EEADRL COc1ccc(O)c([N-]S(=O)(=O)CCc2ccc3c(c2)CCO3)c1 ZINC000581492009 324265314 /nfs/dbraw/zinc/26/53/14/324265314.db2.gz QDHQMTOAPZFVDL-UHFFFAOYSA-N -2 0 349.408 2.320 20 0 EEADRL O=C([O-])c1ccc(OCCN=c2nc(C(F)(F)F)[n-]s2)cc1 ZINC000582184355 324398331 /nfs/dbraw/zinc/39/83/31/324398331.db2.gz YJUWDOOCIOQRFX-UHFFFAOYSA-N -2 0 333.291 2.168 20 0 EEADRL CC(C)n1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)cn1 ZINC000066585356 462907181 /nfs/dbraw/zinc/90/71/81/462907181.db2.gz CDIZSSDCLCATSC-UHFFFAOYSA-N -2 0 349.412 2.452 20 0 EEADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000054294701 463225419 /nfs/dbraw/zinc/22/54/19/463225419.db2.gz BJIDUSOIZVBOAV-UHFFFAOYSA-N -2 0 335.381 2.432 20 0 EEADRL Cc1ccc(F)c(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1 ZINC000151482258 463538275 /nfs/dbraw/zinc/53/82/75/463538275.db2.gz VCSJYYZOUPLKEI-UHFFFAOYSA-N -2 0 328.303 2.032 20 0 EEADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000181772131 464528501 /nfs/dbraw/zinc/52/85/01/464528501.db2.gz HIOIVOQEHKCNND-VIFPVBQESA-N -2 0 337.401 2.406 20 0 EEADRL Cc1ccc(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)c(C(=O)[O-])c1 ZINC000357103908 465776218 /nfs/dbraw/zinc/77/62/18/465776218.db2.gz JYWMHHZWVUPBQC-UHFFFAOYSA-N -2 0 349.364 2.121 20 0 EEADRL CC(C)n1ncc2ccc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cc21 ZINC000357529977 466106667 /nfs/dbraw/zinc/10/66/67/466106667.db2.gz YNQOTTRGVKSFDN-UHFFFAOYSA-N -2 0 348.384 2.444 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)cc1C(=O)[O-] ZINC000349455424 466117287 /nfs/dbraw/zinc/11/72/87/466117287.db2.gz GBJAAIBWQLHXRA-UHFFFAOYSA-N -2 0 348.739 2.022 20 0 EEADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1O ZINC000322214159 466630508 /nfs/dbraw/zinc/63/05/08/466630508.db2.gz QTMQTKRLIHIAIA-UHFFFAOYSA-N -2 0 347.270 2.309 20 0 EEADRL COc1cc(F)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c(F)c1 ZINC000588625855 469147114 /nfs/dbraw/zinc/14/71/14/469147114.db2.gz OSNJNEPZQOUYSS-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL CC1(C)C[C@@H](S(=O)(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CO1 ZINC000630423580 469840707 /nfs/dbraw/zinc/84/07/07/469840707.db2.gz GIXLHUCNCOJSJG-HZSPNIEDSA-N -2 0 339.413 2.184 20 0 EEADRL O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000653280895 471565573 /nfs/dbraw/zinc/56/55/73/471565573.db2.gz OXNFQLFBIXJAJS-QLFBSQMISA-N -2 0 333.384 2.080 20 0 EEADRL O=C([O-])COc1cccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1 ZINC000656857951 471867881 /nfs/dbraw/zinc/86/78/81/471867881.db2.gz NVPJHUXUAQZPHF-UGFHNGPFSA-N -2 0 347.367 2.008 20 0 EEADRL O=C([O-])COc1ccc(C(=O)NC2(CC(=O)[O-])CCCCC2)cc1 ZINC000663119051 472364857 /nfs/dbraw/zinc/36/48/57/472364857.db2.gz DZNGMUBXKGWRPL-UHFFFAOYSA-N -2 0 335.356 2.057 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C(C)(C)C)c1 ZINC000072759634 490583959 /nfs/dbraw/zinc/58/39/59/490583959.db2.gz AIRSBIRSVWZXMR-UHFFFAOYSA-N -2 0 327.362 2.039 20 0 EEADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(Cl)nc2)c1 ZINC000737939407 576124918 /nfs/dbraw/zinc/12/49/18/576124918.db2.gz HIRZJCWLQVHQDS-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL O=C([O-])c1cccc(CCNC(=O)c2n[n-]c3ccccc3c2=O)c1 ZINC000777382451 577477749 /nfs/dbraw/zinc/47/77/49/577477749.db2.gz LOYAYZUSOCETFX-UHFFFAOYSA-N -2 0 337.335 2.006 20 0 EEADRL COc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1F ZINC000769889599 577586509 /nfs/dbraw/zinc/58/65/09/577586509.db2.gz LYHJKMGFBACHMW-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2O)cc(C(=O)[O-])c1F ZINC000763290070 577718524 /nfs/dbraw/zinc/71/85/24/577718524.db2.gz FQANRDDHXRNTSX-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL O=C(/C=C\C1CCCCC1)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000739210479 578044074 /nfs/dbraw/zinc/04/40/74/578044074.db2.gz SCTCXTXXGUMCLQ-SREVYHEPSA-N -2 0 343.426 2.388 20 0 EEADRL O=C([O-])Nc1cc(NC(=O)C[C@@]2(C(=O)[O-])CCSC2)ccc1F ZINC000740006653 578077077 /nfs/dbraw/zinc/07/70/77/578077077.db2.gz RXVMZJSTWIPRDV-AWEZNQCLSA-N -2 0 342.348 2.452 20 0 EEADRL CC(C)C[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736403841 578201387 /nfs/dbraw/zinc/20/13/87/578201387.db2.gz LJWBKOSZZSGUMR-SECBINFHSA-N -2 0 333.431 2.324 20 0 EEADRL C[C@@H]1C[C@H](CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CC(C)(C)C1 ZINC000736755798 578221824 /nfs/dbraw/zinc/22/18/24/578221824.db2.gz PXDCAOWKFXDPBA-VXGBXAGGSA-N -2 0 333.450 2.150 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)o1 ZINC000315944696 599735678 /nfs/dbraw/zinc/73/56/78/599735678.db2.gz XOEALOYRMUDZEC-UHFFFAOYSA-N -2 0 345.716 2.161 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cs1 ZINC000387297481 600671259 /nfs/dbraw/zinc/67/12/59/600671259.db2.gz PHHCPAFCOXZAQZ-UHFFFAOYSA-N -2 0 346.317 2.294 20 0 EEADRL C[C@@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000827212226 600679863 /nfs/dbraw/zinc/67/98/63/600679863.db2.gz DDPOAJRISYGUEY-QMMMGPOBSA-N -2 0 341.414 2.415 20 0 EEADRL C/C(=C\C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)C(C)(C)C ZINC000825724834 600944460 /nfs/dbraw/zinc/94/44/60/600944460.db2.gz VTLSQELRPOOZLZ-CSKARUKUSA-N -2 0 325.386 2.182 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2n[nH]c3ccc(F)cc32)s1 ZINC000833323950 601202349 /nfs/dbraw/zinc/20/23/49/601202349.db2.gz FMRQKJBKVCBERK-UHFFFAOYSA-N -2 0 341.345 2.263 20 0 EEADRL O=C([O-])c1c(F)ccc(S(=O)(=O)NCCCC(F)(F)F)c1F ZINC000316628632 601238807 /nfs/dbraw/zinc/23/88/07/601238807.db2.gz RFHMVBJLWHCWHP-UHFFFAOYSA-N -2 0 347.261 2.284 20 0 EEADRL Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)s1 ZINC000832996354 601250154 /nfs/dbraw/zinc/25/01/54/601250154.db2.gz ZWVJDJMBEGZZJR-UHFFFAOYSA-N -2 0 342.398 2.024 20 0 EEADRL Cc1nc(C(C)C)[nH]c(=O)c1C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000327580895 601290253 /nfs/dbraw/zinc/29/02/53/601290253.db2.gz GLUTWQHFUZOGNX-CYBMUJFWSA-N -2 0 343.383 2.212 20 0 EEADRL COc1ccc(CNC(=O)c2cc(F)c([O-])c(F)c2)cc1C(=O)[O-] ZINC000832335808 601386885 /nfs/dbraw/zinc/38/68/85/601386885.db2.gz AJIAVIGECSYBRO-UHFFFAOYSA-N -2 0 337.278 2.307 20 0 EEADRL O=C([O-])CCCCCCNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000833225404 601387019 /nfs/dbraw/zinc/38/70/19/601387019.db2.gz VLLZYUVQEAXENO-UHFFFAOYSA-N -2 0 349.362 2.482 20 0 EEADRL CCn1nc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1C1CC1 ZINC000830445947 601388774 /nfs/dbraw/zinc/38/87/74/601388774.db2.gz VSONQHNXBGMFNK-UHFFFAOYSA-N -2 0 341.414 2.341 20 0 EEADRL CC(C)(C)c1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)s1 ZINC000826528136 601502994 /nfs/dbraw/zinc/50/29/94/601502994.db2.gz KNHMAJHUZGNLTE-UHFFFAOYSA-N -2 0 347.443 2.396 20 0 EEADRL CC(C)(CNC(=O)N1CCC(C(=O)c2ccc(O)cc2)CC1)C(=O)[O-] ZINC000826568343 601682269 /nfs/dbraw/zinc/68/22/69/601682269.db2.gz UBRKSOLUTZHKLP-UHFFFAOYSA-N -2 0 348.399 2.107 20 0 EEADRL O=C([O-])CCCc1csc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000160001998 601771813 /nfs/dbraw/zinc/77/18/13/601771813.db2.gz USFFZQBVYNOWRI-UHFFFAOYSA-N -2 0 326.399 2.351 20 0 EEADRL Cc1ccccc1S(=O)(=O)[N-]c1nnc(CCCC(=O)[O-])s1 ZINC000832981350 602105722 /nfs/dbraw/zinc/10/57/22/602105722.db2.gz AHEJTQSJFMMRNI-UHFFFAOYSA-N -2 0 341.414 2.055 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)Nc2c(F)cccc2C(=O)[O-])c1 ZINC000833334486 602296163 /nfs/dbraw/zinc/29/61/63/602296163.db2.gz PUPWIXCHMXQCRN-UHFFFAOYSA-N -2 0 339.300 2.023 20 0 EEADRL Cc1cc(NC(=O)c2nn(-c3ccccc3)cc2[O-])c(C(=O)[O-])[nH]1 ZINC000832896826 602299107 /nfs/dbraw/zinc/29/91/07/602299107.db2.gz GLIRUZZKTNQHNV-UHFFFAOYSA-N -2 0 326.312 2.165 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(C3CC3)[nH]n2)ccc1Cl ZINC000833304105 602307047 /nfs/dbraw/zinc/30/70/47/602307047.db2.gz QHVKXJYKNSPJGQ-UHFFFAOYSA-N -2 0 341.776 2.440 20 0 EEADRL O=C([O-])CCc1csc([N-]S(=O)(=O)c2cccnc2Cl)n1 ZINC000833243249 604625279 /nfs/dbraw/zinc/62/52/79/604625279.db2.gz DZKNRLNWFACCLW-UHFFFAOYSA-N -2 0 347.805 2.010 20 0 EEADRL O=P([O-])([O-])c1ccc(NCc2cccc3c2OC(F)(F)O3)cc1 ZINC001168361180 1188514236 /nfs/dbraw/zinc/51/42/36/1188514236.db2.gz WUXSWGPBRCRZOA-UHFFFAOYSA-N -2 0 343.222 2.423 20 0 EEADRL CC[C@H](C)C[C@@H](C)NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189932558 1280582819 /nfs/dbraw/zinc/58/28/19/1280582819.db2.gz DBZUBAZZQFQXTB-VHSXEESVSA-N -2 0 343.401 2.186 20 0 EEADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)nn2)c1 ZINC000157497340 1281018114 /nfs/dbraw/zinc/01/81/14/1281018114.db2.gz TULUXXXWVPCCBK-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL O=c1cc(NS(=O)(=O)Cc2c(F)cccc2F)nc(Cl)[n-]1 ZINC001197566546 1284689785 /nfs/dbraw/zinc/68/97/85/1284689785.db2.gz KTCMSKFESRTMMN-UHFFFAOYSA-N -2 0 335.719 2.056 20 0 EEADRL CCOC(=O)Cc1ccncc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242162620 1309623956 /nfs/dbraw/zinc/62/39/56/1309623956.db2.gz IYTUXBZSAVWYMB-UHFFFAOYSA-N -2 0 329.308 2.251 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(=O)n(-c3ccccc3)n2)c1 ZINC001242162954 1309624321 /nfs/dbraw/zinc/62/43/21/1309624321.db2.gz MWXSBALTMVNHLU-UHFFFAOYSA-N -2 0 336.303 2.296 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cnn(-c3ccccc3)c(=O)c2)c1 ZINC001242163693 1309625080 /nfs/dbraw/zinc/62/50/80/1309625080.db2.gz GTZQHQMPCOBEPQ-UHFFFAOYSA-N -2 0 336.303 2.296 20 0 EEADRL CCCn1cc([N-]S(=O)(=O)c2cc(F)c(C)c(C(=O)[O-])c2)cn1 ZINC000842585133 1315726562 /nfs/dbraw/zinc/72/65/62/1315726562.db2.gz SHXMERSYYMSDJD-UHFFFAOYSA-N -2 0 341.364 2.240 20 0 EEADRL NC(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2F)cc1O ZINC001259470325 1319586375 /nfs/dbraw/zinc/58/63/75/1319586375.db2.gz INOFWUKOJPQFRL-UHFFFAOYSA-N -2 0 344.751 2.084 20 0 EEADRL COc1c(F)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260208875 1319831360 /nfs/dbraw/zinc/83/13/60/1319831360.db2.gz FMAFEZXESBQNIB-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c(C)cn1 ZINC001260210413 1319833215 /nfs/dbraw/zinc/83/32/15/1319833215.db2.gz JYCVDFUGYQUNIP-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(C(F)F)cn2)ccc1O ZINC001260394110 1319883110 /nfs/dbraw/zinc/88/31/10/1319883110.db2.gz RDBUQJXHICIOTN-UHFFFAOYSA-N -2 0 344.295 2.224 20 0 EEADRL O=C([O-])c1c(F)cc(NC(=O)NC2CCC(C(=O)[O-])CC2)cc1F ZINC001608501576 1351705313 /nfs/dbraw/zinc/70/53/13/1351705313.db2.gz PSLWSVVIMIOUHT-UHFFFAOYSA-N -2 0 342.298 2.428 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cc(Cl)ccc2C)cnn1CC(=O)[O-] ZINC001600425932 1350048156 /nfs/dbraw/zinc/04/81/56/1350048156.db2.gz FIXYHPTWHABZHA-UHFFFAOYSA-N -2 0 343.792 2.039 20 0 EEADRL O=C([O-])[C@H](Cc1ccc(OC(F)(F)F)cc1)[N-]C(=O)C(F)(F)F ZINC001608541350 1351712741 /nfs/dbraw/zinc/71/27/41/1351712741.db2.gz TXYBPXFAMVMSAK-QMMMGPOBSA-N -2 0 345.195 2.259 20 0 EEADRL O=C([O-])C12CC(C(=O)Nc3n[nH]c(-c4ccc(O)c(Cl)c4)n3)(C1)C2 ZINC001608581772 1351719626 /nfs/dbraw/zinc/71/96/26/1351719626.db2.gz BIRDFRZMGBOHEC-UHFFFAOYSA-N -2 0 348.746 2.024 20 0 EEADRL O=C([O-])CCCCCCNC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001608711334 1351746630 /nfs/dbraw/zinc/74/66/30/1351746630.db2.gz BPRSEWYHMIHAOG-UHFFFAOYSA-N -2 0 349.362 2.482 20 0 EEADRL O=C([O-])c1cccc(CC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1 ZINC001608929669 1351796639 /nfs/dbraw/zinc/79/66/39/1351796639.db2.gz GRDFRRNYXSRXDI-QEJZJMRPSA-N -2 0 331.368 2.172 20 0 EEADRL COc1cncc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC001610369355 1352212202 /nfs/dbraw/zinc/21/22/02/1352212202.db2.gz OKXSOGPBTGEIKW-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2noc3ccccc32)cc1C(=O)[O-] ZINC001610563604 1352245615 /nfs/dbraw/zinc/24/56/15/1352245615.db2.gz OLKQTXYVOMSFOK-UHFFFAOYSA-N -2 0 333.325 2.030 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2nccc3sccc32)cc1C(=O)[O-] ZINC001610563591 1352245800 /nfs/dbraw/zinc/24/58/00/1352245800.db2.gz NSVVZZBKJIYWFI-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL O=C([O-])c1ccc(Cl)cc1NC(=O)C(=O)[N-]OCc1ccccc1 ZINC001610700192 1352261517 /nfs/dbraw/zinc/26/15/17/1352261517.db2.gz NQTVDRRCHDKLKO-UHFFFAOYSA-N -2 0 348.742 2.225 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cnn1CC(=O)[O-] ZINC001600054597 1349962734 /nfs/dbraw/zinc/96/27/34/1349962734.db2.gz LOTLAMUHSXVTAH-UHFFFAOYSA-N -2 0 345.327 2.015 20 0 EEADRL Cc1cc(C)c([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)cc1O ZINC001600163515 1349983383 /nfs/dbraw/zinc/98/33/83/1349983383.db2.gz MXIMMNHDINYESR-UHFFFAOYSA-N -2 0 336.369 2.211 20 0 EEADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@H](CC2CC2)C(=O)[O-])n1 ZINC001600231672 1349997839 /nfs/dbraw/zinc/99/78/39/1349997839.db2.gz DQCZZKFSUJNGHM-GFCCVEGCSA-N -2 0 347.346 2.009 20 0 EEADRL Cc1ccc(CC(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1C ZINC001600399987 1350040867 /nfs/dbraw/zinc/04/08/67/1350040867.db2.gz HUJPPJYHFMNYKH-UHFFFAOYSA-N -2 0 347.392 2.049 20 0 EEADRL Cc1oc(CN2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)cc1C(=O)[O-] ZINC001600845480 1350150249 /nfs/dbraw/zinc/15/02/49/1350150249.db2.gz CGPJKRSKYPSHPM-PELKAZGASA-N -2 0 348.321 2.175 20 0 EEADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)CC2CCCCC2)cc1 ZINC001601254245 1350242307 /nfs/dbraw/zinc/24/23/07/1350242307.db2.gz WXTALJIPNPALQU-UHFFFAOYSA-N -2 0 339.413 2.301 20 0 EEADRL O=C([O-])[C@@H](Cc1ccccc1O)NC(=O)c1cccc(Cl)c1[O-] ZINC001601423918 1350280906 /nfs/dbraw/zinc/28/09/06/1350280906.db2.gz UFZXZSQHCCBJFH-GFCCVEGCSA-N -2 0 335.743 2.177 20 0 EEADRL O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)c3cc(F)c(F)c([O-])c3F)[C@@H]2C1 ZINC001601578395 1350311607 /nfs/dbraw/zinc/31/16/07/1350311607.db2.gz LONNOBCPJHNMJN-LGVNZDMBSA-N -2 0 329.274 2.039 20 0 EEADRL O=C([O-])C1CC2(C1)CN(C(=O)c1cscc1Cl)C[C@H]2C(=O)[O-] ZINC001601778881 1350362511 /nfs/dbraw/zinc/36/25/11/1350362511.db2.gz FEHBRKLQAQVSAC-ZQQUDOKWSA-N -2 0 343.788 2.039 20 0 EEADRL O=C([O-])CCN(CC(=O)[O-])C(=O)CC1CCC(C(F)(F)F)CC1 ZINC001602004001 1350415871 /nfs/dbraw/zinc/41/58/71/1350415871.db2.gz PNLWZRHRJLEQJD-UHFFFAOYSA-N -2 0 339.310 2.133 20 0 EEADRL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2cc3c(cn2)CCCC3)c1 ZINC001602143555 1350449450 /nfs/dbraw/zinc/44/94/50/1350449450.db2.gz ZUCKEANZKRCDSG-UHFFFAOYSA-N -2 0 346.408 2.388 20 0 EEADRL O=C([O-])c1cnc(S(=O)(=O)Cc2cnc(-c3ccccc3)s2)[n-]1 ZINC001602234931 1350472744 /nfs/dbraw/zinc/47/27/44/1350472744.db2.gz SIVCFUUZHLSOQM-UHFFFAOYSA-N -2 0 349.393 2.205 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)Oc2cc(Cl)ccc2Cl)[n-]n1 ZINC001602298102 1350487696 /nfs/dbraw/zinc/48/76/96/1350487696.db2.gz KCPCSYJUUCZEKP-UHFFFAOYSA-N -2 0 337.140 2.182 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(C3CC3)[nH]n2)cc1Cl ZINC001602401640 1350510964 /nfs/dbraw/zinc/51/09/64/1350510964.db2.gz IHCIBXFRSHWEAA-UHFFFAOYSA-N -2 0 341.776 2.440 20 0 EEADRL CC(C)[C@H](C(=O)[O-])C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC001603714048 1350748336 /nfs/dbraw/zinc/74/83/36/1350748336.db2.gz LQGAFFXPIHFCCW-ZETCQYMHSA-N -2 0 328.390 2.434 20 0 EEADRL C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001604125166 1350866027 /nfs/dbraw/zinc/86/60/27/1350866027.db2.gz KJTYQSQRZFLTGH-YFKPBYRVSA-N -2 0 347.261 2.282 20 0 EEADRL C[C@@H]1CC=C(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC001604691199 1350985358 /nfs/dbraw/zinc/98/53/58/1350985358.db2.gz KIBIMNULZDRTTH-LLVKDONJSA-N -2 0 337.397 2.077 20 0 EEADRL C[C@H]1CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CC[C@H]1C(=O)[O-] ZINC001604778188 1351001505 /nfs/dbraw/zinc/00/15/05/1351001505.db2.gz SMHKPIBQXWCURQ-JGVFFNPUSA-N -2 0 342.298 2.238 20 0 EEADRL CCC1(C(=O)N2C[C@@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)CCCCC1 ZINC001605130769 1351083614 /nfs/dbraw/zinc/08/36/14/1351083614.db2.gz YXRGSOOGIXUDLF-XYEKJYRLSA-N -2 0 337.416 2.371 20 0 EEADRL CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC001605320256 1351135661 /nfs/dbraw/zinc/13/56/61/1351135661.db2.gz BDUHKOHBCHAOTD-ZJUUUORDSA-N -2 0 349.412 2.246 20 0 EEADRL CCCc1ccccc1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])n1 ZINC001605378024 1351148737 /nfs/dbraw/zinc/14/87/37/1351148737.db2.gz HYORUAOZWAXPMC-UHFFFAOYSA-N -2 0 334.397 2.462 20 0 EEADRL CCc1nc(OC)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001605857300 1351238390 /nfs/dbraw/zinc/23/83/90/1351238390.db2.gz HGAYUGMHEXBWPW-UHFFFAOYSA-N -2 0 342.398 2.213 20 0 EEADRL CO[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[O-])[C@@](C)(C(=O)[O-])C1 ZINC001606766107 1351353848 /nfs/dbraw/zinc/35/38/48/1351353848.db2.gz YUGJBLZDQPMOIE-RMLUDKJBSA-N -2 0 348.182 2.403 20 0 EEADRL O=S(=O)([N-]c1ccc(F)cc1Cl)c1ccc(-c2nnn[n-]2)o1 ZINC001607068888 1351406592 /nfs/dbraw/zinc/40/65/92/1351406592.db2.gz GJVYRYMUKVUMHL-UHFFFAOYSA-N -2 0 343.727 2.053 20 0 EEADRL CSc1nc(=O)n(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)[n-]1 ZINC001607415615 1351490730 /nfs/dbraw/zinc/49/07/30/1351490730.db2.gz SEWAMUGHBIZMEW-UHFFFAOYSA-N -2 0 348.409 2.163 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)oc1C(=O)[O-] ZINC001607705085 1351543480 /nfs/dbraw/zinc/54/34/80/1351543480.db2.gz DNAJDIRRLHHHKK-WCABBAIRSA-N -2 0 343.401 2.163 20 0 EEADRL Cc1nn(C)c([N-]S(=O)(=O)c2cc(Cl)ccc2C)c1C(=O)[O-] ZINC001607788034 1351559023 /nfs/dbraw/zinc/55/90/23/1351559023.db2.gz DWMQJFWPYSCKOE-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL O=C([O-])[C@@H](NC(=O)c1cccc(C(F)(F)F)c1[O-])c1cccnc1 ZINC001608387911 1351683889 /nfs/dbraw/zinc/68/38/89/1351683889.db2.gz NRNITAGRAAKNJV-NSHDSACASA-N -2 0 340.257 2.362 20 0 EEADRL COc1c(F)cccc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198730238 1368641446 /nfs/dbraw/zinc/64/14/46/1368641446.db2.gz JAVFRMCFAVCOKI-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]CC(F)(F)F)c(F)cc1Cl ZINC000202358364 1404900307 /nfs/dbraw/zinc/90/03/07/1404900307.db2.gz ZKYVFXLHSUHCOH-UHFFFAOYSA-N -2 0 335.662 2.018 20 0 EEADRL CSc1ccc(S(=O)(=O)[N-]NC(=O)c2ccccc2F)cc1 ZINC000064467947 773521355 /nfs/dbraw/zinc/52/13/55/773521355.db2.gz KDPYGRHKZFBUQR-UHFFFAOYSA-N -2 0 340.401 2.171 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cccc2ccsc21 ZINC000910183483 786515361 /nfs/dbraw/zinc/51/53/61/786515361.db2.gz BURHXRFGMMUHEX-CMPLNLGQSA-N -2 0 333.365 2.291 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000910185322 786516769 /nfs/dbraw/zinc/51/67/69/786516769.db2.gz HKQYHEQIWLJODU-GZMMTYOYSA-N -2 0 346.166 2.383 20 0 EEADRL CC(C)(C)SCCCC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910185507 786517483 /nfs/dbraw/zinc/51/74/83/786517483.db2.gz WPIPAMXVIPHXPL-MNOVXSKESA-N -2 0 331.434 2.075 20 0 EEADRL Cc1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])ccc1Cl ZINC000910185236 786517767 /nfs/dbraw/zinc/51/77/67/786517767.db2.gz VSXYYLGJOTXYNC-ZYHUDNBSSA-N -2 0 325.748 2.038 20 0 EEADRL C/C(=C/C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1cccc(F)c1 ZINC000910190292 786523116 /nfs/dbraw/zinc/52/31/16/786523116.db2.gz VZMNBWIQFCIRTO-YOOMMIOMSA-N -2 0 335.331 2.005 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1 ZINC000910191700 786523552 /nfs/dbraw/zinc/52/35/52/786523552.db2.gz KREVWYAPXDDIQH-KJWHEZOQSA-N -2 0 337.416 2.369 20 0 EEADRL CC(C)[C@H]1CC[C@H](C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])CC1 ZINC000910192765 786524603 /nfs/dbraw/zinc/52/46/03/786524603.db2.gz UVKQPBLZKFPONT-XUXIUFHCSA-N -2 0 325.405 2.225 20 0 EEADRL CCc1nnc2ccc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)cn21 ZINC001176236694 798389996 /nfs/dbraw/zinc/38/99/96/798389996.db2.gz CCDXSBHVMPOYEY-UHFFFAOYSA-N -2 0 326.312 2.432 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2ccnn2CC2CCC2)cc1C(=O)[O-] ZINC001184670869 802104726 /nfs/dbraw/zinc/10/47/26/802104726.db2.gz WSWIHJCSUDMVFP-UHFFFAOYSA-N -2 0 349.412 2.491 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccco3)o2)cc1C(=O)[O-] ZINC001184660020 802122174 /nfs/dbraw/zinc/12/21/74/802122174.db2.gz RYAHXBWORWDCQF-UHFFFAOYSA-N -2 0 349.324 2.137 20 0 EEADRL CCCc1cc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)n[nH]1 ZINC000325846090 971248292 /nfs/dbraw/zinc/24/82/92/971248292.db2.gz XIAOAQWDBKOSEU-UHFFFAOYSA-N -2 0 349.412 2.279 20 0 EEADRL COc1cc(NC(=O)c2c([O-])cccc2F)c(C(=O)[O-])cc1OC ZINC000326861224 971336994 /nfs/dbraw/zinc/33/69/94/971336994.db2.gz VYNHHVVMSRLMEO-UHFFFAOYSA-N -2 0 335.287 2.499 20 0 EEADRL CC(C)(C(=O)[O-])n1ccc(NC(=O)c2ccc3[n-]c(=S)oc3c2)n1 ZINC001602843561 971672746 /nfs/dbraw/zinc/67/27/46/971672746.db2.gz FKGOBMJGFMJTPQ-UHFFFAOYSA-N -2 0 346.368 2.385 20 0 EEADRL COCc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000038058832 957353213 /nfs/dbraw/zinc/35/32/13/957353213.db2.gz DJJARQGEVIOQTP-UHFFFAOYSA-N -2 0 327.383 2.394 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nc3ccccc3[nH]2)c(F)c1 ZINC000390310430 972274636 /nfs/dbraw/zinc/27/46/36/972274636.db2.gz CHNOFCXRDRVGGN-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccnc(Cl)c2)c1 ZINC000149059795 959016025 /nfs/dbraw/zinc/01/60/25/959016025.db2.gz DZJZMKQNTIDDPO-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL CC(C)n1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)n1 ZINC000392001766 972398004 /nfs/dbraw/zinc/39/80/04/972398004.db2.gz ZPLXLPVMOMFJRM-VMPITWQZSA-N -2 0 335.385 2.363 20 0 EEADRL O=C([O-])[C@@H](CNC(=O)c1cc(F)c(F)c([O-])c1F)c1ccccc1 ZINC000392184610 972422643 /nfs/dbraw/zinc/42/26/43/972422643.db2.gz KUFGTEAYMQCINE-JTQLQIEISA-N -2 0 339.269 2.408 20 0 EEADRL CC(C)c1nc(S(=O)(=O)[N-]c2cccc(CCC(=O)[O-])c2)c[nH]1 ZINC001588975480 962692277 /nfs/dbraw/zinc/69/22/77/962692277.db2.gz WCHBHFVXXCCYSR-UHFFFAOYSA-N -2 0 337.401 2.351 20 0 EEADRL O=C([O-])[C@@H]1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)c2ccccc21 ZINC001606008381 973105193 /nfs/dbraw/zinc/10/51/93/973105193.db2.gz UZIYLDTXZRIJAU-SNVBAGLBSA-N -2 0 339.307 2.147 20 0 EEADRL O=C([O-])[C@@H]1COCCN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC001606048005 973154147 /nfs/dbraw/zinc/15/41/47/973154147.db2.gz CWUDHTBHILDCMG-ZDUSSCGKSA-N -2 0 335.743 2.124 20 0 EEADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)NCC3(C(=O)[O-])CC3)n2)c1 ZINC001591983095 976601202 /nfs/dbraw/zinc/60/12/02/976601202.db2.gz HJTDVJRZHGMVCL-UHFFFAOYSA-N -2 0 343.383 2.296 20 0 EEADRL C[C@@](CC(=O)[O-])(NC(=O)c1cc(F)c([O-])c(F)c1)c1ccncc1 ZINC001592302494 977651322 /nfs/dbraw/zinc/65/13/22/977651322.db2.gz ANQGLKFOQLWZCE-INIZCTEOSA-N -2 0 336.294 2.185 20 0 EEADRL C[C@@](CC(=O)[O-])(NC(=O)c1cc(F)cc(F)c1[O-])c1cccnc1 ZINC001592303040 977654206 /nfs/dbraw/zinc/65/42/06/977654206.db2.gz GTYBCOAYJLFHPE-INIZCTEOSA-N -2 0 336.294 2.185 20 0 EEADRL CC[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001595035774 979188318 /nfs/dbraw/zinc/18/83/18/979188318.db2.gz KJCNWCKQNIPIQY-JTQLQIEISA-N -2 0 331.390 2.163 20 0 EEADRL CCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001595593859 981558844 /nfs/dbraw/zinc/55/88/44/981558844.db2.gz IGFYJNBXASCLBG-GFCCVEGCSA-N -2 0 338.385 2.063 20 0 EEADRL CC(C)(C)CCC(=O)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001589764598 988105226 /nfs/dbraw/zinc/10/52/26/988105226.db2.gz PGEAVUQWUGLUIQ-UHFFFAOYSA-N -2 0 345.392 2.084 20 0 EEADRL CCc1csc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC)n1 ZINC001597638566 988625019 /nfs/dbraw/zinc/62/50/19/988625019.db2.gz KGRCEJIOZLZCFM-UHFFFAOYSA-N -2 0 342.398 2.213 20 0 EEADRL CC(C)(C)c1nnc([N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)o1 ZINC001590575356 990218530 /nfs/dbraw/zinc/21/85/30/990218530.db2.gz SWLZINZHHOYLOP-UHFFFAOYSA-N -2 0 339.373 2.007 20 0 EEADRL CC(C)(CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)C1CC1 ZINC001590621726 990303193 /nfs/dbraw/zinc/30/31/93/990303193.db2.gz KBDNSAQGYGJRFO-UHFFFAOYSA-N -2 0 339.413 2.157 20 0 EEADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1cccc(C2CCC2)c1)C(=O)[O-] ZINC001590798767 990623929 /nfs/dbraw/zinc/62/39/29/990623929.db2.gz CJWBNYASELMXSD-UHFFFAOYSA-N -2 0 339.413 2.125 20 0 EEADRL COCc1nc(NC(=O)c2cccc(F)c2[O-])sc1C(=O)[O-] ZINC001599301918 997247578 /nfs/dbraw/zinc/24/75/78/997247578.db2.gz PNHTYUAIJXXDJH-UHFFFAOYSA-N -2 0 326.305 2.085 20 0 EEADRL O=C([O-])[C@H](CF)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC001608534654 1124100633 /nfs/dbraw/zinc/10/06/33/1124100633.db2.gz SPXQRECQYFJCGO-ZETCQYMHSA-N -2 0 337.781 2.256 20 0 EEADRL CCn1nc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1C1CC1 ZINC000267463619 256061174 /nfs/dbraw/zinc/06/11/74/256061174.db2.gz OXCFAVADKKEXKL-UHFFFAOYSA-N -2 0 341.414 2.341 20 0 EEADRL Cc1cccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1C(=O)[O-] ZINC000342272489 161052485 /nfs/dbraw/zinc/05/24/85/161052485.db2.gz IQSPHDORMOSFSL-UHFFFAOYSA-N -2 0 335.337 2.192 20 0 EEADRL COc1ccc(O)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000342775372 161089802 /nfs/dbraw/zinc/08/98/02/161089802.db2.gz DUGFLPDHYGRBJQ-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cs1 ZINC000352405040 162123920 /nfs/dbraw/zinc/12/39/20/162123920.db2.gz KPAGDUNPAHWTIJ-UHFFFAOYSA-N -2 0 345.329 2.084 20 0 EEADRL CCn1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1C ZINC000359129444 164066847 /nfs/dbraw/zinc/06/68/47/164066847.db2.gz IUPLFSMIKYFRRB-UHFFFAOYSA-N -2 0 337.401 2.327 20 0 EEADRL Cc1nc(=NC(=O)c2cc(F)cc(Br)c2[O-])s[n-]1 ZINC000436856339 315006476 /nfs/dbraw/zinc/00/64/76/315006476.db2.gz XLWLPIDVWWNTAL-UHFFFAOYSA-N -2 0 332.154 2.128 20 0 EEADRL COc1ncc(-c2ccc(C(CC(=O)[O-])CC(=O)[O-])cc2C)cn1 ZINC000582857603 324544419 /nfs/dbraw/zinc/54/44/19/324544419.db2.gz WHLHWEFOZGYQIT-UHFFFAOYSA-N -2 0 330.340 2.494 20 0 EEADRL CCN(C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)c1ccc(F)cc1 ZINC000151556216 463553164 /nfs/dbraw/zinc/55/31/64/463553164.db2.gz VDQHIMDEPUEGAT-UHFFFAOYSA-N -2 0 342.330 2.138 20 0 EEADRL Cc1noc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000348666571 465735762 /nfs/dbraw/zinc/73/57/62/465735762.db2.gz MLUPTKNPBCMVLH-UHFFFAOYSA-N -2 0 330.749 2.444 20 0 EEADRL Cc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000749141550 577971717 /nfs/dbraw/zinc/97/17/17/577971717.db2.gz INNSHKHJVLDXCO-UHFFFAOYSA-N -2 0 328.321 2.238 20 0 EEADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C)cc2Cl)c1C(=O)[O-] ZINC000738633056 578022261 /nfs/dbraw/zinc/02/22/61/578022261.db2.gz WJMYMOYSPFQIGY-UHFFFAOYSA-N -2 0 329.765 2.179 20 0 EEADRL Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)no1 ZINC000738838477 578028380 /nfs/dbraw/zinc/02/83/80/578028380.db2.gz YTEWCKDXJLPEHZ-UHFFFAOYSA-N -2 0 349.324 2.137 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nc3ccsc3s2)o1 ZINC000740186334 578084610 /nfs/dbraw/zinc/08/46/10/578084610.db2.gz KARGSIXNEBFUOM-UHFFFAOYSA-N -2 0 330.368 2.450 20 0 EEADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2ccccc2OC(F)F)c1 ZINC000740248577 578087404 /nfs/dbraw/zinc/08/74/04/578087404.db2.gz FDNCFPHWAKVTLA-UHFFFAOYSA-N -2 0 344.295 2.182 20 0 EEADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000833344916 601383295 /nfs/dbraw/zinc/38/32/95/601383295.db2.gz LPQOCIAXLWXANB-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL CSc1ccncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000832790817 601577360 /nfs/dbraw/zinc/57/73/60/601577360.db2.gz VTAVCJNZZLSYFT-UHFFFAOYSA-N -2 0 328.371 2.204 20 0 EEADRL CN(CC(=O)Nc1cc(Cl)cc(Br)c1[O-])C(=O)[O-] ZINC000828114050 604116141 /nfs/dbraw/zinc/11/61/41/604116141.db2.gz ASLLOKGLYHQRML-UHFFFAOYSA-N -2 0 337.557 2.356 20 0 EEADRL CCc1ccccc1C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000830276849 604625438 /nfs/dbraw/zinc/62/54/38/604625438.db2.gz UIYFNQHHULKWBU-UHFFFAOYSA-N -2 0 347.392 2.207 20 0 EEADRL COC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000833721926 604720902 /nfs/dbraw/zinc/72/09/02/604720902.db2.gz HIQNPKNFANOWLB-ZDUSSCGKSA-N -2 0 336.171 2.309 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(F)F)c(C(=O)[O-])c1 ZINC000833751438 604748292 /nfs/dbraw/zinc/74/82/92/604748292.db2.gz YLRNWSVXYXJKIK-UHFFFAOYSA-N -2 0 345.327 2.165 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c(C)n1 ZINC000833733671 605167974 /nfs/dbraw/zinc/16/79/74/605167974.db2.gz XTEXOJZCBMLSCQ-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1noc(C(C)(C)C)n1 ZINC000833747905 605586189 /nfs/dbraw/zinc/58/61/89/605586189.db2.gz NTSXAJPICAUWAG-UHFFFAOYSA-N -2 0 339.373 2.175 20 0 EEADRL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc(C)cc1C(=O)[O-] ZINC000067659989 675084453 /nfs/dbraw/zinc/08/44/53/675084453.db2.gz USVRNZPLTGSYPQ-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL CC(C)(C)C[C@@H]([N-]S(=O)(=O)C1(C(=O)[O-])CCC1)C(F)(F)F ZINC000905039705 694507263 /nfs/dbraw/zinc/50/72/63/694507263.db2.gz ZEKOCZFVUFHPMO-MRVPVSSYSA-N -2 0 331.356 2.280 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]CC(F)(F)F)c(Cl)cc1F ZINC000148271240 1178281129 /nfs/dbraw/zinc/28/11/29/1178281129.db2.gz JUXRPLWQCFLEPU-UHFFFAOYSA-N -2 0 335.662 2.018 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1csc2nccnc12 ZINC001185877616 1278845601 /nfs/dbraw/zinc/84/56/01/1278845601.db2.gz PTUQEXKABDHHMS-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL NC(=O)c1ccc(NS(=O)(=O)c2ccc(C3CC3)cc2)cc1O ZINC001190511703 1280923394 /nfs/dbraw/zinc/92/33/94/1280923394.db2.gz KXEMHGMBYLHRRT-UHFFFAOYSA-N -2 0 332.381 2.169 20 0 EEADRL COc1nc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260222186 1319836577 /nfs/dbraw/zinc/83/65/77/1319836577.db2.gz POLHROAFQGDRCV-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL Cc1c(F)ccc([N-]S(=O)(=O)c2cnn(C(C)C)c2)c1C(=O)[O-] ZINC000842588540 1315726904 /nfs/dbraw/zinc/72/69/04/1315726904.db2.gz WIBJQQYUBIRBSA-UHFFFAOYSA-N -2 0 341.364 2.411 20 0 EEADRL Cc1nc(Cl)ncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260209440 1319833257 /nfs/dbraw/zinc/83/32/57/1319833257.db2.gz FQYWPDRUFFTIAX-UHFFFAOYSA-N -2 0 345.739 2.077 20 0 EEADRL Cn1cc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)cc2n1 ZINC001260215286 1319833909 /nfs/dbraw/zinc/83/39/09/1319833909.db2.gz SDDIRTSIEACCQS-UHFFFAOYSA-N -2 0 349.343 2.211 20 0 EEADRL O=c1cc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)nc(Cl)[n-]1 ZINC001260348604 1319868621 /nfs/dbraw/zinc/86/86/21/1319868621.db2.gz BACCQESSTZPBCV-UHFFFAOYSA-N -2 0 339.682 2.054 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)ccc1O ZINC001260399108 1319884251 /nfs/dbraw/zinc/88/42/51/1319884251.db2.gz UMYZFDRKLSUERN-UHFFFAOYSA-N -2 0 343.744 2.250 20 0 EEADRL CC(=O)Nc1ncc(S(=O)(=O)[N-]c2ccccc2[S-])s1 ZINC001260705950 1319949559 /nfs/dbraw/zinc/94/95/59/1319949559.db2.gz GEXIWDOHDFJUON-UHFFFAOYSA-N -2 0 329.428 2.191 20 0 EEADRL O=C([O-])C1CC2(C1)CN(C(=O)C1(C3CCCCC3)CC1)C[C@@H]2C(=O)[O-] ZINC001608609540 1351725310 /nfs/dbraw/zinc/72/53/10/1351725310.db2.gz BSQFHJYYFSRDKL-HZEYSBKDSA-N -2 0 349.427 2.371 20 0 EEADRL C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C[C@H]1C ZINC001609846413 1352099920 /nfs/dbraw/zinc/09/99/20/1352099920.db2.gz YPVMCNPILLBWIZ-IJLUTSLNSA-N -2 0 339.413 2.262 20 0 EEADRL CCOc1ncc(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001610048769 1352149426 /nfs/dbraw/zinc/14/94/26/1352149426.db2.gz PZZANAOJZANBEE-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL COc1ccc(C)nc1[N-]S(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC001610326301 1352205955 /nfs/dbraw/zinc/20/59/55/1352205955.db2.gz JSHZNXDHLXLNAJ-UHFFFAOYSA-N -2 0 342.398 2.268 20 0 EEADRL Cc1cccc(C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)c1C ZINC001610518869 1352237450 /nfs/dbraw/zinc/23/74/50/1352237450.db2.gz DNCAKPNDQSQUNL-UHFFFAOYSA-N -2 0 347.392 2.261 20 0 EEADRL Cc1cnc(OC(C)C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC001610540125 1352241700 /nfs/dbraw/zinc/24/17/00/1352241700.db2.gz ZGTBXZSNUQKVBQ-UHFFFAOYSA-N -2 0 340.357 2.269 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)[C@H]2CC3CCC2CC3)c1 ZINC001610849760 1352285303 /nfs/dbraw/zinc/28/53/03/1352285303.db2.gz JFAQKPVOTYDVQK-MGULZYLOSA-N -2 0 337.397 2.016 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)c1 ZINC001610867592 1352287685 /nfs/dbraw/zinc/28/76/85/1352287685.db2.gz NFNQDKQNMNVDTL-UHFFFAOYSA-N -2 0 334.309 2.434 20 0 EEADRL Cc1c(C(=O)[O-])cc(CNC(=O)c2c(C)ccc(C)c2C(=O)[O-])n1C ZINC001600386844 1350036957 /nfs/dbraw/zinc/03/69/57/1350036957.db2.gz CLQAZQPNGIJSDE-UHFFFAOYSA-N -2 0 344.367 2.277 20 0 EEADRL Cc1csc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC001600650381 1350107695 /nfs/dbraw/zinc/10/76/95/1350107695.db2.gz VHJVSSSPJASHGN-UHFFFAOYSA-N -3 0 347.395 2.315 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cc(CC(C)C)[nH]n1 ZINC001600655160 1350109183 /nfs/dbraw/zinc/10/91/83/1350109183.db2.gz SIORDEUDZILROP-UHFFFAOYSA-N -2 0 343.430 2.477 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2ccc3ncccc3c2)cc1C(=O)[O-] ZINC001600747208 1350127176 /nfs/dbraw/zinc/12/71/76/1350127176.db2.gz PDUWAJYILCKFCH-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1C ZINC001600810296 1350141423 /nfs/dbraw/zinc/14/14/23/1350141423.db2.gz YYGJQZQYANWPCW-UHFFFAOYSA-N -2 0 328.321 2.238 20 0 EEADRL O=C([O-])[C@H](C[C@H]1CCCO1)NC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001601408173 1350277198 /nfs/dbraw/zinc/27/71/98/1350277198.db2.gz BZLKUTIYIQVIHI-KCJUWKMLSA-N -2 0 347.289 2.163 20 0 EEADRL O=C([O-])C1CC2(C1)CN(C(=O)CC1CCCCCC1)C[C@@H]2C(=O)[O-] ZINC001601785610 1350364369 /nfs/dbraw/zinc/36/43/69/1350364369.db2.gz YYLWVXHPAPIOJK-TXKKKEFDSA-N -2 0 337.416 2.371 20 0 EEADRL O=C([O-])C1CC2(C1)CN(C(=O)CC1CCCCCC1)C[C@H]2C(=O)[O-] ZINC001601785608 1350364559 /nfs/dbraw/zinc/36/45/59/1350364559.db2.gz YYLWVXHPAPIOJK-FVRSWCFKSA-N -2 0 337.416 2.371 20 0 EEADRL O=C([O-])[C@@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c2ccccc21 ZINC001601802507 1350367706 /nfs/dbraw/zinc/36/77/06/1350367706.db2.gz ZYQPITPATGQVEM-DRABBMOASA-N -2 0 331.368 2.307 20 0 EEADRL O=C([O-])C[C@@H](NC(=O)c1cc(Br)cc(F)c1[O-])C1CC1 ZINC001601903578 1350393888 /nfs/dbraw/zinc/39/38/88/1350393888.db2.gz CRKWUBGEMLXJFE-SNVBAGLBSA-N -2 0 346.152 2.277 20 0 EEADRL O=C([O-])C[C@@H]1CSCCN1C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001601967466 1350407070 /nfs/dbraw/zinc/40/70/70/1350407070.db2.gz FCRHYAPBMDTDMW-MRVPVSSYSA-N -2 0 349.330 2.443 20 0 EEADRL O=C([O-])CCCO[N-]C(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC001601996022 1350413822 /nfs/dbraw/zinc/41/38/22/1350413822.db2.gz YSIPVFADCMGWQQ-GFCCVEGCSA-N -2 0 342.189 2.392 20 0 EEADRL O=C([O-])CCN(CC(=O)[O-])Cc1csc(-c2ccsc2)n1 ZINC001602004464 1350415732 /nfs/dbraw/zinc/41/57/32/1350415732.db2.gz GBEYIQCOORTPTG-UHFFFAOYSA-N -2 0 326.399 2.233 20 0 EEADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)c1ccc(C2CCCCC2)cc1 ZINC001602028594 1350421645 /nfs/dbraw/zinc/42/16/45/1350421645.db2.gz WBJIKMWZGDRUDU-UHFFFAOYSA-N -2 0 339.413 2.269 20 0 EEADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]CCCC(F)(F)F)c1F ZINC001602273263 1350482977 /nfs/dbraw/zinc/48/29/77/1350482977.db2.gz JBEGKGRBVWBTPP-UHFFFAOYSA-N -2 0 347.261 2.284 20 0 EEADRL CC(C)n1cc(S(=O)(=O)[N-]c2cccc([C@H](C)C(=O)[O-])c2)cn1 ZINC001603221459 1350664485 /nfs/dbraw/zinc/66/44/85/1350664485.db2.gz MEQWPHOZVWUJFW-NSHDSACASA-N -2 0 337.401 2.453 20 0 EEADRL CC(C)c1ccoc1C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001604010165 1350829275 /nfs/dbraw/zinc/82/92/75/1350829275.db2.gz GTHPAXVXOGQACT-UHFFFAOYSA-N -2 0 343.382 2.281 20 0 EEADRL CC(C)n1cc(S(=O)(=O)[N-]c2cc3[nH]ccc3c(C(=O)[O-])c2)cn1 ZINC001604035702 1350835453 /nfs/dbraw/zinc/83/54/53/1350835453.db2.gz GLXHLNHPEDCNIU-UHFFFAOYSA-N -2 0 348.384 2.444 20 0 EEADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001604518622 1350953893 /nfs/dbraw/zinc/95/38/93/1350953893.db2.gz JHLYFVNNKSYWDY-ORAYPTAESA-N -2 0 345.395 2.422 20 0 EEADRL Cc1c(NC(=O)NC[C@@H](C(=O)[O-])C2CCC2)ccc(F)c1C(=O)[O-] ZINC001607542899 1351513164 /nfs/dbraw/zinc/51/31/64/1351513164.db2.gz SPELSXOVPBOEMX-SNVBAGLBSA-N -2 0 338.335 2.455 20 0 EEADRL Cc1cc(C=O)c([O-])c(C(=O)Nc2cc(C)c(C(=O)[O-])c(C)n2)c1 ZINC001607633271 1351529396 /nfs/dbraw/zinc/52/93/96/1351529396.db2.gz JGUKXTWOMKBVTE-UHFFFAOYSA-N -2 0 328.324 2.475 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])s2)c(C)s1 ZINC001607705216 1351543359 /nfs/dbraw/zinc/54/33/59/1351543359.db2.gz HJCQTCGFGKMOBY-UHFFFAOYSA-N -2 0 345.423 2.243 20 0 EEADRL Cc1csc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c1C(=O)[O-] ZINC001607934401 1351588884 /nfs/dbraw/zinc/58/88/84/1351588884.db2.gz XIXVKOLXNAURGR-UHFFFAOYSA-N -2 0 341.366 2.284 20 0 EEADRL O=P([O-])([O-])OCCNc1ccc(OC(F)(F)C(F)F)cc1 ZINC001168591802 790788677 /nfs/dbraw/zinc/78/86/77/790788677.db2.gz YJXIJFKLHOQRRJ-UHFFFAOYSA-N -2 0 333.174 2.445 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(C(F)F)cc1 ZINC000910186260 786518843 /nfs/dbraw/zinc/51/88/43/786518843.db2.gz PDEIMXQLFOPQIV-WDEREUQCSA-N -2 0 327.283 2.014 20 0 EEADRL Cc1noc2ncc(S(=O)(=O)[N-]c3cc(C)cc(C(=O)[O-])c3)cc12 ZINC000507565809 786978434 /nfs/dbraw/zinc/97/84/34/786978434.db2.gz KFBOIYHLGGIRMV-UHFFFAOYSA-N -2 0 347.352 2.339 20 0 EEADRL CCc1cc2ncc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)cn2n1 ZINC001176237467 798390088 /nfs/dbraw/zinc/39/00/88/798390088.db2.gz HVPMDEGALPTGRP-UHFFFAOYSA-N -2 0 326.312 2.432 20 0 EEADRL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-][C@@H](c1cncc(F)c1)C1CC1 ZINC001180176632 800286809 /nfs/dbraw/zinc/28/68/09/800286809.db2.gz JIKVBOSXCQWFFA-SECBINFHSA-N -2 0 338.232 2.143 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2nccnc2C(C)C)cc1C(=O)[O-] ZINC001184670889 802104840 /nfs/dbraw/zinc/10/48/40/802104840.db2.gz XOPIHCBJEZDJBQ-UHFFFAOYSA-N -2 0 335.385 2.407 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2ccnc(Cl)c2O)cc1C(=O)[O-] ZINC001184667322 802125785 /nfs/dbraw/zinc/12/57/85/802125785.db2.gz JBGZQMLZCDMSKV-UHFFFAOYSA-N -2 0 342.760 2.248 20 0 EEADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000323212671 970977329 /nfs/dbraw/zinc/97/73/29/970977329.db2.gz SEBHOJYGRDWLFO-UHFFFAOYSA-N -2 0 332.337 2.066 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C#N)cc1C(=O)[O-] ZINC000326078406 971265947 /nfs/dbraw/zinc/26/59/47/971265947.db2.gz JPWHGHYDWKXTSM-UHFFFAOYSA-N -2 0 346.364 2.374 20 0 EEADRL O=C([O-])CC1(C(=O)Nc2ccc3[n-]c(=S)oc3c2)CCOCC1 ZINC001594977210 950934876 /nfs/dbraw/zinc/93/48/76/950934876.db2.gz POWVHIPMXODLGO-UHFFFAOYSA-N -2 0 336.369 2.327 20 0 EEADRL COc1cc(F)cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000385685418 972008734 /nfs/dbraw/zinc/00/87/34/972008734.db2.gz BNMGYBGZIRXBGU-UHFFFAOYSA-N -2 0 331.346 2.395 20 0 EEADRL C[C@@H](CC(=O)[O-])NC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC001589001597 955329014 /nfs/dbraw/zinc/32/90/14/955329014.db2.gz OMJKHZWWOUWXED-YFKPBYRVSA-N -2 0 336.569 2.401 20 0 EEADRL C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001589168413 956441268 /nfs/dbraw/zinc/44/12/68/956441268.db2.gz BLDYCAZMVQRDPR-ZJUUUORDSA-N -2 0 325.386 2.237 20 0 EEADRL C[C@]1(C(=O)[O-])CCN(C(=O)c2cc(Br)c(F)cc2[O-])C1 ZINC001589193732 956607103 /nfs/dbraw/zinc/60/71/03/956607103.db2.gz SRDTXGQVKGHYKY-ZDUSSCGKSA-N -2 0 346.152 2.231 20 0 EEADRL CC(C)[C@H](NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C(=O)[O-] ZINC001588958745 962611519 /nfs/dbraw/zinc/61/15/19/962611519.db2.gz VQAWCOULOZBDFJ-LBPRGKRZSA-N -2 0 337.763 2.070 20 0 EEADRL CC(C)([N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)C(F)(F)F ZINC000393868009 972652914 /nfs/dbraw/zinc/65/29/14/972652914.db2.gz KHJICKWHNYXTFN-UHFFFAOYSA-N -2 0 325.308 2.145 20 0 EEADRL C[C@]1(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC=CCC1 ZINC000398369887 973128108 /nfs/dbraw/zinc/12/81/08/973128108.db2.gz INQZOOYNFPDLPC-AWEZNQCLSA-N -2 0 331.340 2.440 20 0 EEADRL CC(C)c1cc(Cl)ccc1NC(=O)C(=O)[N-]OCCCC(=O)[O-] ZINC001591931238 976435136 /nfs/dbraw/zinc/43/51/36/976435136.db2.gz MUZPRDQUBYMVKO-UHFFFAOYSA-N -2 0 342.779 2.315 20 0 EEADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)n2)c1 ZINC001591983496 976602430 /nfs/dbraw/zinc/60/24/30/976602430.db2.gz MTKCFBCSGLMHPC-JOCQHMNTSA-N -2 0 343.383 2.294 20 0 EEADRL CC(C)c1ccsc1C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-] ZINC001592003577 976662635 /nfs/dbraw/zinc/66/26/35/976662635.db2.gz XUMBIQXZZTYOSF-DTWKUNHWSA-N -2 0 333.431 2.040 20 0 EEADRL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C[C@@H](C)C1 ZINC000833594566 979207379 /nfs/dbraw/zinc/20/73/79/979207379.db2.gz OFQCKWLVGGXVQQ-PJXYFTJBSA-N -2 0 339.413 2.262 20 0 EEADRL CCC[C@](C)(CC)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001595540974 981399377 /nfs/dbraw/zinc/39/93/77/981399377.db2.gz FXGGYBTYVPPGPO-ZDUSSCGKSA-N -2 0 333.431 2.468 20 0 EEADRL CC[C@H](C)[C@@H]([N-]S(=O)(=O)CC1(CC(=O)[O-])CC1)C(F)(F)F ZINC001594921465 982469497 /nfs/dbraw/zinc/46/94/97/982469497.db2.gz QCMSOODKAQMJES-WCBMZHEXSA-N -2 0 331.356 2.138 20 0 EEADRL CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)C(F)(F)F ZINC000926537282 982901582 /nfs/dbraw/zinc/90/15/82/982901582.db2.gz IKKMFTAQKZESQX-JTQLQIEISA-N -2 0 343.298 2.389 20 0 EEADRL CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@H](CC)C(=O)[O-] ZINC001595891517 982927765 /nfs/dbraw/zinc/92/77/65/982927765.db2.gz VYRTUHYOFMVEJN-VIFPVBQESA-N -2 0 337.401 2.246 20 0 EEADRL Cc1[nH]c(C(=O)[O-])cc1C([O-])=CS(=O)(=O)[C@H]1CCc2ccccc21 ZINC001599961644 985792612 /nfs/dbraw/zinc/79/26/12/985792612.db2.gz WDHSYSIQDXURDP-INIZCTEOSA-N -2 0 347.392 2.306 20 0 EEADRL CC(=O)c1[nH]c(CC(=O)[N-]Oc2ccccc2F)c(C(=O)[O-])c1C ZINC001589244462 985846234 /nfs/dbraw/zinc/84/62/34/985846234.db2.gz SKWLBQUJJWDCEP-UHFFFAOYSA-N -2 0 334.303 2.016 20 0 EEADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC001589699607 987786005 /nfs/dbraw/zinc/78/60/05/987786005.db2.gz MTFLVQYMKCSDPG-JTQLQIEISA-N -2 0 328.390 2.236 20 0 EEADRL CCc1ccc(NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])c(C(=O)[O-])c1 ZINC001597542603 988231895 /nfs/dbraw/zinc/23/18/95/988231895.db2.gz DXGZWUQDTYAXLO-BDAKNGLRSA-N -2 0 325.386 2.481 20 0 EEADRL CCc1cnc([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])o1 ZINC001597632040 988601012 /nfs/dbraw/zinc/60/10/12/988601012.db2.gz MFOYHAUEZSCWGU-UHFFFAOYSA-N -2 0 347.352 2.284 20 0 EEADRL C[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)C[C@H]1CC(=O)[O-] ZINC001599858244 989123291 /nfs/dbraw/zinc/12/32/91/989123291.db2.gz XYQNAEASLVMQBV-HKCMKHECSA-N -2 0 346.383 2.052 20 0 EEADRL CCn1ncc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001597957322 989970672 /nfs/dbraw/zinc/97/06/72/989970672.db2.gz QVEPYESWSRVLHR-UHFFFAOYSA-N -2 0 343.792 2.364 20 0 EEADRL CC(C)(CCNC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1)C(=O)[O-] ZINC001590675859 990387192 /nfs/dbraw/zinc/38/71/92/990387192.db2.gz LBPMXYQPGULZPC-NSHDSACASA-N -2 0 328.409 2.020 20 0 EEADRL CN(C)c1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccsc1 ZINC001598301196 991252207 /nfs/dbraw/zinc/25/22/07/991252207.db2.gz NNTXDLAEYOBIQJ-UHFFFAOYSA-N -2 0 326.399 2.313 20 0 EEADRL COc1cccc([C@](C)(CC(=O)[O-])NC(=O)C(F)(F)C(F)F)c1 ZINC001599648693 994462173 /nfs/dbraw/zinc/46/21/73/994462173.db2.gz BFEBGAWJTZYQRD-ZDUSSCGKSA-N -2 0 337.269 2.402 20 0 EEADRL C[C@H](S[C@@H](C)C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1)C(=O)[O-] ZINC001593659443 996035298 /nfs/dbraw/zinc/03/52/98/996035298.db2.gz SVMSLTMRRDOUFJ-GUBZILKMSA-N -2 0 325.386 2.408 20 0 EEADRL CC1(C)CCC[C@](NS(=O)(=O)c2cc([O-])cc(F)c2)(C(=O)[O-])C1 ZINC001593899872 996766806 /nfs/dbraw/zinc/76/68/06/996766806.db2.gz VPMXASRWVWOHHF-OAHLLOKOSA-N -2 0 345.392 2.233 20 0 EEADRL CC(C)C[C@@H](CNC(=O)N=c1nc(C(C)(C)C)[n-]s1)C(=O)[O-] ZINC000424375599 240917461 /nfs/dbraw/zinc/91/74/61/240917461.db2.gz AITXTCVLOCUWAJ-VIFPVBQESA-N -2 0 328.438 2.126 20 0 EEADRL CNS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)cc(C)c2O)co1 ZINC000131826445 292393836 /nfs/dbraw/zinc/39/38/36/292393836.db2.gz JBHZRENGAUHQDV-UHFFFAOYSA-N -2 0 344.776 2.107 20 0 EEADRL O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000343301278 161122229 /nfs/dbraw/zinc/12/22/29/161122229.db2.gz QOHCASXIPSVECH-UHFFFAOYSA-N -2 0 349.364 2.203 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c(O)c1 ZINC000343849968 161174436 /nfs/dbraw/zinc/17/44/36/161174436.db2.gz DXKFCAIXNVEFPF-UHFFFAOYSA-N -2 0 347.270 2.309 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3c2OCCC3=O)cc1 ZINC000371587431 166638859 /nfs/dbraw/zinc/63/88/59/166638859.db2.gz CSYLOPZAZLCKMX-UHFFFAOYSA-N -2 0 347.348 2.151 20 0 EEADRL Cc1cccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)c1F ZINC000275253116 269104915 /nfs/dbraw/zinc/10/49/15/269104915.db2.gz LHNUSNZMJHULEY-HAQNSBGRSA-N -2 0 329.393 2.303 20 0 EEADRL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000275201362 274226211 /nfs/dbraw/zinc/22/62/11/274226211.db2.gz NWFWLEOJQNJCHJ-SSDOTTSWSA-N -2 0 339.335 2.272 20 0 EEADRL CCc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000533167049 317901518 /nfs/dbraw/zinc/90/15/18/317901518.db2.gz PUVJLIJDQIBOJY-UHFFFAOYSA-N -2 0 330.387 2.414 20 0 EEADRL CC[C@@H](CC[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(=O)[O-] ZINC000568001215 319443792 /nfs/dbraw/zinc/44/37/92/319443792.db2.gz RMOAJKVWHABXNB-LURJTMIESA-N -2 0 343.298 2.022 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c(OC)c1 ZINC000390314430 323544771 /nfs/dbraw/zinc/54/47/71/323544771.db2.gz WHKUKSSASLRQPJ-UHFFFAOYSA-N -2 0 337.353 2.203 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2cn[nH]c2)c1 ZINC000090166633 462782975 /nfs/dbraw/zinc/78/29/75/462782975.db2.gz CXNULHXUHUWXHW-UHFFFAOYSA-N -2 0 347.352 2.477 20 0 EEADRL Cc1cc(C(=O)Nc2cccc3c2ccn3C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000073287599 463600414 /nfs/dbraw/zinc/60/04/14/463600414.db2.gz NDEPUIOWJAMNMQ-UHFFFAOYSA-N -2 0 349.350 2.076 20 0 EEADRL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1cccc(Cl)c1[O-] ZINC000172357048 464062808 /nfs/dbraw/zinc/06/28/08/464062808.db2.gz TTZSNJFIASRGEY-UHFFFAOYSA-N -2 0 346.774 2.180 20 0 EEADRL C[C@H](C1CC1)n1cc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cn1 ZINC000357111106 465782316 /nfs/dbraw/zinc/78/23/16/465782316.db2.gz ZGNFEJBWXSDNLO-LLVKDONJSA-N -2 0 349.412 2.282 20 0 EEADRL Cc1cccc(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)c1C(=O)[O-] ZINC000357132887 465800546 /nfs/dbraw/zinc/80/05/46/465800546.db2.gz NUNUXGCYAYDLQK-UHFFFAOYSA-N -2 0 349.364 2.121 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1O ZINC000350740322 466593424 /nfs/dbraw/zinc/59/34/24/466593424.db2.gz AISSFHNOBHBYKY-UHFFFAOYSA-N -2 0 331.733 2.446 20 0 EEADRL Cc1ccc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)c2n1 ZINC000324784947 466649670 /nfs/dbraw/zinc/64/96/70/466649670.db2.gz JLMMRYCJJMDUEN-UHFFFAOYSA-N -2 0 345.380 2.381 20 0 EEADRL O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000630435660 469849211 /nfs/dbraw/zinc/84/92/11/469849211.db2.gz MGYQKUMIORIMGD-MUWHJKNJSA-N -2 0 339.747 2.150 20 0 EEADRL CC(C)(C)CC[C@@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)C(=O)[O-] ZINC000647247595 470866398 /nfs/dbraw/zinc/86/63/98/470866398.db2.gz UAXXNBFYYJWOTO-GFCCVEGCSA-N -2 0 347.371 2.039 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N(CC)[C@H](C)C(=O)[O-])n1 ZINC000659769268 471736129 /nfs/dbraw/zinc/73/61/29/471736129.db2.gz CCQWYVXKSHCQGM-LLVKDONJSA-N -2 0 331.372 2.076 20 0 EEADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NCC2(C(=O)[O-])CCC2)n1 ZINC000659784695 471741615 /nfs/dbraw/zinc/74/16/15/471741615.db2.gz KKXOHNPCBXQMQD-UHFFFAOYSA-N -2 0 347.346 2.010 20 0 EEADRL O=C([O-])c1cccc(CNC(=O)c2nn(-c3ccccc3)cc2[O-])c1 ZINC000678931481 485544110 /nfs/dbraw/zinc/54/41/10/485544110.db2.gz GDNMXAAIFWMHIW-UHFFFAOYSA-N -2 0 337.335 2.206 20 0 EEADRL O=C(N[C@H](c1nnn[n-]1)c1ccccc1)c1cc(F)cc(Cl)c1[O-] ZINC000676123644 486150402 /nfs/dbraw/zinc/15/04/02/486150402.db2.gz NFXIEUOPVVDMDJ-LBPRGKRZSA-N -2 0 347.737 2.217 20 0 EEADRL Cc1cc(NS(=O)(=O)c2ccccc2C(=O)[O-])ccc1C(=O)[O-] ZINC000738464059 578016174 /nfs/dbraw/zinc/01/61/74/578016174.db2.gz ZSRKMADPIKSYBX-UHFFFAOYSA-N -2 0 335.337 2.192 20 0 EEADRL COc1cc(/C=C\c2ncc(C(=O)[O-])s2)ccc1OCC(=O)[O-] ZINC000726427723 576262949 /nfs/dbraw/zinc/26/29/49/576262949.db2.gz UVAWHCAQTVVWJG-HYXAFXHYSA-N -2 0 335.337 2.484 20 0 EEADRL O=C([O-])Nc1cccc(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)c1 ZINC000740032499 578078091 /nfs/dbraw/zinc/07/80/91/578078091.db2.gz AMSMZUYENUBDSK-UHFFFAOYSA-N -2 0 340.295 2.372 20 0 EEADRL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1Cl ZINC000315086986 600104695 /nfs/dbraw/zinc/10/46/95/600104695.db2.gz LIVIOTZIAYIGKM-UHFFFAOYSA-N -2 0 344.776 2.498 20 0 EEADRL C[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000828233510 600938051 /nfs/dbraw/zinc/93/80/51/600938051.db2.gz QCDRQQZZWWEGDN-IUCAKERBSA-N -2 0 331.415 2.078 20 0 EEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2n[nH]cc21 ZINC000048382953 601325322 /nfs/dbraw/zinc/32/53/22/601325322.db2.gz DGPLOUBGYREQKO-UHFFFAOYSA-N -2 0 347.352 2.071 20 0 EEADRL CCCc1nnc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])s1 ZINC000829573931 601503436 /nfs/dbraw/zinc/50/34/36/601503436.db2.gz LPTDNRMAKFAJKM-UHFFFAOYSA-N -2 0 345.402 2.199 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cccc(C)c2O)c1C(=O)[O-] ZINC000832970883 601604849 /nfs/dbraw/zinc/60/48/49/601604849.db2.gz LHESTQQYXHMRFO-UHFFFAOYSA-N -2 0 325.342 2.409 20 0 EEADRL CC1(C)Cc2cc(S(=O)(=O)[N-]c3cnccc3C(=O)[O-])ccc2O1 ZINC000828082263 601794857 /nfs/dbraw/zinc/79/48/57/601794857.db2.gz MMXXIVUWKCGWOQ-UHFFFAOYSA-N -2 0 348.380 2.294 20 0 EEADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000833345893 602156016 /nfs/dbraw/zinc/15/60/16/602156016.db2.gz BJIDKQPONGPDLM-UHFFFAOYSA-N -2 0 338.288 2.059 20 0 EEADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C3CC3)[nH]n2)c1 ZINC000833316737 602307398 /nfs/dbraw/zinc/30/73/98/602307398.db2.gz DJLZKENMQUVJGW-UHFFFAOYSA-N -2 0 341.776 2.440 20 0 EEADRL CCc1nc([N-]S(=O)(=O)Cc2cccc(F)c2)sc1C(=O)[O-] ZINC000833676098 604991739 /nfs/dbraw/zinc/99/17/39/604991739.db2.gz ZMSADJORZZLSLX-UHFFFAOYSA-N -2 0 344.389 2.485 20 0 EEADRL CC1(C)CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000833557052 605085344 /nfs/dbraw/zinc/08/53/44/605085344.db2.gz KSLOIWROLCEPLQ-QMMMGPOBSA-N -2 0 331.415 2.078 20 0 EEADRL C[C@H](NS(=O)(=O)c1cnc(-c2ccccc2)s1)[C@H](C)C(=O)[O-] ZINC000926479006 679088333 /nfs/dbraw/zinc/08/83/33/679088333.db2.gz GSNPJBMHDLTIDQ-UWVGGRQHSA-N -2 0 340.426 2.198 20 0 EEADRL CCc1oncc1[N-]S(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000800844263 1234666099 /nfs/dbraw/zinc/66/60/99/1234666099.db2.gz RTGXZKZANCIRKL-UHFFFAOYSA-N -2 0 328.321 2.184 20 0 EEADRL O=P([O-])([O-])OCCNC(=S)Nc1cc(Cl)ccc1Cl ZINC001201090148 1287292858 /nfs/dbraw/zinc/29/28/58/1287292858.db2.gz GIAURPWBZUVROG-UHFFFAOYSA-N -2 0 345.144 2.389 20 0 EEADRL CC(=O)c1ncccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192114367 1281803487 /nfs/dbraw/zinc/80/34/87/1281803487.db2.gz WHVFOOMIBDEWSM-UHFFFAOYSA-N -2 0 348.380 2.102 20 0 EEADRL Cc1nc2sccc2c([N-]S(=O)(=O)c2ccccc2C(=O)[O-])n1 ZINC001198738933 1285312512 /nfs/dbraw/zinc/31/25/12/1285312512.db2.gz IAOHORMZUGZWKI-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL Cc1ccc(-c2cc(=O)n(-c3ccc(S(=O)(=O)[O-])cc3)[n-]2)cn1 ZINC001245949101 1310194280 /nfs/dbraw/zinc/19/42/80/1310194280.db2.gz JUMLRCALEXPPHJ-UHFFFAOYSA-N -2 0 331.353 2.195 20 0 EEADRL O=[P@@]([O-])(O)C1(Nc2cc(C3CC3)ncn2)Cc2ccccc2C1 ZINC001157158839 1318445635 /nfs/dbraw/zinc/44/56/35/1318445635.db2.gz CWWNWORCVLFTKB-UHFFFAOYSA-N -2 0 331.312 2.439 20 0 EEADRL O=P([O-])([O-])OCCNc1cc(Cl)nnc1-c1ccccc1 ZINC001157791740 1318864806 /nfs/dbraw/zinc/86/48/06/1318864806.db2.gz SNIZYNMGKDJSFI-UHFFFAOYSA-N -2 0 329.680 2.318 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cnc3cccc(O)c3c2)c1 ZINC001260184737 1319817622 /nfs/dbraw/zinc/81/76/22/1319817622.db2.gz ZUEOFCZAFZATHZ-UHFFFAOYSA-N -2 0 344.348 2.439 20 0 EEADRL COc1cccc(C(C)=O)c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260189948 1319821675 /nfs/dbraw/zinc/82/16/75/1319821675.db2.gz QWBKCCIEYNENNN-UHFFFAOYSA-N -2 0 349.364 2.397 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nc(C3CC3)cs2)ccc1O ZINC000386126275 1322666047 /nfs/dbraw/zinc/66/60/47/1322666047.db2.gz TXEKCDMSNWDZQC-UHFFFAOYSA-N -2 0 340.382 2.225 20 0 EEADRL CC[C@H](CC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1)C(C)(C)C ZINC001604980281 1351044372 /nfs/dbraw/zinc/04/43/72/1351044372.db2.gz CBRCVRBFWKXMIB-YMOZUKEZSA-N -2 0 339.432 2.473 20 0 EEADRL O=C([O-])[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])CC2)c2ccccc21 ZINC001608597100 1351722935 /nfs/dbraw/zinc/72/29/35/1351722935.db2.gz CTMJHJNNPCFECO-YIKOMLBNSA-N -2 0 331.368 2.307 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1ccc(C(F)F)cc1 ZINC001608617087 1351726581 /nfs/dbraw/zinc/72/65/81/1351726581.db2.gz WGMIRLHPYNOEHL-GXSJLCMTSA-N -2 0 342.298 2.406 20 0 EEADRL O=C([O-])C[C@H]1COCCN1C(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001608701038 1351745054 /nfs/dbraw/zinc/74/50/54/1351745054.db2.gz ISRQPQIJRCSULY-QMMMGPOBSA-N -2 0 334.155 2.015 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nccc3ccncc32)s1 ZINC001608913880 1351792901 /nfs/dbraw/zinc/79/29/01/1351792901.db2.gz KLZZBDRLLIVZOU-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL CC1(C)Cc2cccc(S(=O)(=O)[N-]c3cnccc3C(=O)[O-])c2O1 ZINC001609820135 1352093280 /nfs/dbraw/zinc/09/32/80/1352093280.db2.gz DHOVQZMXANMUBH-UHFFFAOYSA-N -2 0 348.380 2.294 20 0 EEADRL CC[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001609946252 1352126541 /nfs/dbraw/zinc/12/65/41/1352126541.db2.gz CJZADABGBDZKBB-RISCZKNCSA-N -2 0 339.413 2.406 20 0 EEADRL CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC001610226122 1352190129 /nfs/dbraw/zinc/19/01/29/1352190129.db2.gz LHGYXODKCQHJIC-JTQLQIEISA-N -2 0 336.369 2.288 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2sccc2C(=O)[O-])cc1F ZINC001610349065 1352209029 /nfs/dbraw/zinc/20/90/29/1352209029.db2.gz FHIIUCBIVSWJAQ-UHFFFAOYSA-N -2 0 331.346 2.395 20 0 EEADRL Cc1cc(NS(=O)(=O)CC2(C(=O)[O-])CCCC2)cc(C(=O)[O-])c1 ZINC001610475508 1352229019 /nfs/dbraw/zinc/22/90/19/1352229019.db2.gz QIMKIVZVUUPZPB-UHFFFAOYSA-N -2 0 341.385 2.080 20 0 EEADRL C[C@H](c1ccccc1)[C@H]([N-]S(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-] ZINC000849218782 1339149817 /nfs/dbraw/zinc/14/98/17/1339149817.db2.gz IQTHBEKXHWHYOB-KKZNHRDASA-N -2 0 339.335 2.114 20 0 EEADRL O=C([O-])c1cnc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cn1 ZINC001610862272 1352287061 /nfs/dbraw/zinc/28/70/61/1352287061.db2.gz BLMXCUMXESZNEY-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2ccnn2CC2CCC2)cccc1C(=O)[O-] ZINC001600054519 1349962666 /nfs/dbraw/zinc/96/26/66/1349962666.db2.gz GESVOARMVGOLSO-UHFFFAOYSA-N -2 0 349.412 2.491 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cnc1Cl ZINC001600283901 1350010591 /nfs/dbraw/zinc/01/05/91/1350010591.db2.gz LSNDLTUVJCFEJD-UHFFFAOYSA-N -2 0 340.788 2.471 20 0 EEADRL Cc1ccc(NC(=O)NC2(C(=O)[O-])CCC(C(=O)[O-])CC2)s1 ZINC001600451888 1350055769 /nfs/dbraw/zinc/05/57/69/1350055769.db2.gz BDRMRVARXXOWDZ-UHFFFAOYSA-N -2 0 326.374 2.276 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cnn(CC(C)C)c1 ZINC001600654384 1350108716 /nfs/dbraw/zinc/10/87/16/1350108716.db2.gz GHCLEJUROITTRA-UHFFFAOYSA-N -2 0 343.430 2.408 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc(C2CC2)n1 ZINC001600717270 1350120381 /nfs/dbraw/zinc/12/03/81/1350120381.db2.gz FQDGLDXRSAHZHO-UHFFFAOYSA-N -2 0 333.369 2.161 20 0 EEADRL Cc1nc2cc([N-]S(=O)(=O)c3cnc(C)c(C(=O)[O-])c3)ccc2o1 ZINC001600726696 1350122168 /nfs/dbraw/zinc/12/21/68/1350122168.db2.gz SXYTVZXTSDERRC-UHFFFAOYSA-N -2 0 347.352 2.339 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2n[nH]c3ccc(F)cc32)cc1C(=O)[O-] ZINC001600856503 1350153148 /nfs/dbraw/zinc/15/31/48/1350153148.db2.gz BNBYHCOOYQRADJ-UHFFFAOYSA-N -2 0 339.304 2.102 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2nnc(CC(C)(C)C)o2)cc1C(=O)[O-] ZINC001600856618 1350153418 /nfs/dbraw/zinc/15/34/18/1350153418.db2.gz HUQTXYJDNDRAEH-UHFFFAOYSA-N -2 0 343.361 2.059 20 0 EEADRL O=C([O-])[C@H]1CCN(C(=O)Nc2cccc(Cl)c2)[C@H](C(=O)[O-])C1 ZINC001601824283 1350372819 /nfs/dbraw/zinc/37/28/19/1350372819.db2.gz VHRPCNJJUQYMJZ-KWQFWETISA-N -2 0 326.736 2.122 20 0 EEADRL O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1s[n-]c(=O)c1Cl ZINC001601868746 1350386042 /nfs/dbraw/zinc/38/60/42/1350386042.db2.gz QKWOVBXYNSXZTD-VIFPVBQESA-N -2 0 338.772 2.154 20 0 EEADRL O=C([O-])c1ccc(CS(=O)(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC001602356667 1350503210 /nfs/dbraw/zinc/50/32/10/1350503210.db2.gz GZGRLZCPZSYOAH-UHFFFAOYSA-N -2 0 335.337 2.025 20 0 EEADRL CCCc1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])sc1C ZINC001605369045 1351146038 /nfs/dbraw/zinc/14/60/38/1351146038.db2.gz AGWBRCDUAKRFJS-UHFFFAOYSA-N -2 0 347.458 2.179 20 0 EEADRL CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)C(F)(F)F ZINC001605762849 1351221820 /nfs/dbraw/zinc/22/18/20/1351221820.db2.gz GKAKOSWAMJZZLC-VIFPVBQESA-N -2 0 329.271 2.143 20 0 EEADRL CCc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(C2CC2)nn1C ZINC001605827377 1351230306 /nfs/dbraw/zinc/23/03/06/1351230306.db2.gz TUZQMVSGDQBPFO-UHFFFAOYSA-N -2 0 349.412 2.359 20 0 EEADRL COCc1cc([N-]S(=O)(=O)c2cccs2)cc(C(=O)[O-])c1 ZINC001606952816 1351383753 /nfs/dbraw/zinc/38/37/53/1351383753.db2.gz WSOLNSKVFICKKL-UHFFFAOYSA-N -2 0 327.383 2.394 20 0 EEADRL COc1ccc(S(=O)(=O)C=C([O-])c2cccc(C(=O)[O-])c2)cc1 ZINC001607284249 1351465248 /nfs/dbraw/zinc/46/52/48/1351465248.db2.gz ZGCUDGIOFVWAEF-UHFFFAOYSA-N -2 0 334.349 2.050 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)C2CC(C(C)(C)C)C2)oc1C(=O)[O-] ZINC001607705751 1351543391 /nfs/dbraw/zinc/54/33/91/1351543391.db2.gz SECRFHQNENJROM-UHFFFAOYSA-N -2 0 343.401 2.163 20 0 EEADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)NC3CC(CC(=O)[O-])C3)n2)c1 ZINC001607789456 1351559054 /nfs/dbraw/zinc/55/90/54/1351559054.db2.gz RCZZECAMBFIRSM-UHFFFAOYSA-N -2 0 347.346 2.009 20 0 EEADRL Cc1cccc(C)c1CS(=O)(=O)[N-]c1nc(CC(=O)[O-])cs1 ZINC001607843632 1351569686 /nfs/dbraw/zinc/56/96/86/1351569686.db2.gz FQOVNGZNWOGENI-UHFFFAOYSA-N -2 0 340.426 2.329 20 0 EEADRL Cc1nc2sc3c(c2c(-n2[n-]cc(CC(=O)[O-])c2=O)n1)CCCC3 ZINC001607963022 1351594082 /nfs/dbraw/zinc/59/40/82/1351594082.db2.gz LPIBOCOOHRDXJU-VIFPVBQESA-N -2 0 344.396 2.302 20 0 EEADRL Cn1nc(NC(=O)c2cc(Cl)cc(Cl)c2[O-])cc1C(=O)[O-] ZINC001608151407 1351636104 /nfs/dbraw/zinc/63/61/04/1351636104.db2.gz UGGNEXLMCNRDKI-UHFFFAOYSA-N -2 0 330.127 2.383 20 0 EEADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)CC2=CCCCC2)c1 ZINC001608292425 1351664906 /nfs/dbraw/zinc/66/49/06/1351664906.db2.gz QODJMVXPOSPDCU-UHFFFAOYSA-N -2 0 337.397 2.221 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nccs2)c(Cl)cc1F ZINC001193965885 1368483474 /nfs/dbraw/zinc/48/34/74/1368483474.db2.gz VHLFVDTUXIJKSH-UHFFFAOYSA-N -2 0 336.753 2.435 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2nc3c(s2)CCC3)c1 ZINC000315261972 1409832300 /nfs/dbraw/zinc/83/23/00/1409832300.db2.gz CJEUJUNEYNYBRO-UHFFFAOYSA-N -2 0 342.373 2.270 20 0 EEADRL C[C@H](CCCc1ccccc1)C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910190723 786523144 /nfs/dbraw/zinc/52/31/44/786523144.db2.gz BWKHJVWTZLMCQK-BMFZPTHFSA-N -2 0 347.411 2.422 20 0 EEADRL O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)c1ccccc1Cl)C1CCCC1 ZINC000863953718 939243907 /nfs/dbraw/zinc/24/39/07/939243907.db2.gz WIRWCGXILSFORD-GFCCVEGCSA-N -2 0 345.804 2.036 20 0 EEADRL CCN(C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])[C@@H](C)C(=O)[O-] ZINC001589710466 950315676 /nfs/dbraw/zinc/31/56/76/950315676.db2.gz DEBRAARMXNVPAV-VIFPVBQESA-N -2 0 337.763 2.167 20 0 EEADRL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1 ZINC000037731760 957322150 /nfs/dbraw/zinc/32/21/50/957322150.db2.gz LEDJKPXALCMHLH-UHFFFAOYSA-N -2 0 336.156 2.216 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)s1 ZINC000314679903 963790753 /nfs/dbraw/zinc/79/07/53/963790753.db2.gz HKJKCEQIALHHKR-UHFFFAOYSA-N -2 0 346.317 2.294 20 0 EEADRL O=C([O-])COc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000315890023 963947035 /nfs/dbraw/zinc/94/70/35/963947035.db2.gz RQPINTGCFSJCST-UHFFFAOYSA-N -2 0 325.317 2.090 20 0 EEADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1cccc2c1N=S=N2 ZINC000316230911 963991955 /nfs/dbraw/zinc/99/19/55/963991955.db2.gz PDTROWMRLMHQGY-UHFFFAOYSA-N -2 0 336.354 2.307 20 0 EEADRL O=C([O-])CC[C@@H]1C[C@@H](C(=O)Nc2ccc3[n-]c(=S)oc3c2)CO1 ZINC001606112080 973330553 /nfs/dbraw/zinc/33/05/53/973330553.db2.gz SPJPYMCEVSLIRL-PSASIEDQSA-N -2 0 336.369 2.325 20 0 EEADRL C[C@@H]1CCC[C@H](CC(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000828238566 978976793 /nfs/dbraw/zinc/97/67/93/978976793.db2.gz JVYXNMAVPDIITN-ZJUUUORDSA-N -2 0 345.442 2.468 20 0 EEADRL C[C@H](Cc1ccc(NC(=O)c2ccc3oc(=O)nc-3[n-]2)cc1)C(=O)[O-] ZINC001592873190 979734753 /nfs/dbraw/zinc/73/47/53/979734753.db2.gz ROYNQKNTKSDJTQ-SECBINFHSA-N -2 0 341.323 2.444 20 0 EEADRL C[C@H](NC(=O)CC1(C(=O)[O-])CCCCC1)c1ncc(C(=O)[O-])s1 ZINC001593014519 980255187 /nfs/dbraw/zinc/25/51/87/980255187.db2.gz NCLVDIDISONNIE-VIFPVBQESA-N -2 0 340.401 2.444 20 0 EEADRL CCCCc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)n[nH]1 ZINC001595793053 982594734 /nfs/dbraw/zinc/59/47/34/982594734.db2.gz BRNMYRYGJDMBMS-UHFFFAOYSA-N -2 0 341.364 2.390 20 0 EEADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC001589452891 986855235 /nfs/dbraw/zinc/85/52/35/986855235.db2.gz NGWAKPYEWIDXSC-PDWCTOEPSA-N -2 0 345.461 2.148 20 0 EEADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)CC(C1CCC1)C1CCC1 ZINC001589455108 986890536 /nfs/dbraw/zinc/89/05/36/986890536.db2.gz ZQILXRJOQYALIP-WDEREUQCSA-N -2 0 345.461 2.148 20 0 EEADRL CCc1cc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)nc(C)n1 ZINC001597482520 987978189 /nfs/dbraw/zinc/97/81/89/987978189.db2.gz KHWHLJOFTGKPDM-RMKNXTFCSA-N -2 0 347.396 2.246 20 0 EEADRL CC(C)(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC001589741729 988015541 /nfs/dbraw/zinc/01/55/41/988015541.db2.gz FFRMJTCQXWHYDK-MRVPVSSYSA-N -2 0 349.430 2.004 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)nc1 ZINC001597785673 989305262 /nfs/dbraw/zinc/30/52/62/989305262.db2.gz MLVOJFDDXVEJOP-UHFFFAOYSA-N -2 0 330.749 2.389 20 0 EEADRL CC(C)[C@]1(C(=O)[O-])C[C@H]1C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001591057470 991467328 /nfs/dbraw/zinc/46/73/28/991467328.db2.gz FRJGDRSXKQIPNB-VXJOIVPMSA-N -2 0 327.283 2.348 20 0 EEADRL CN(Cc1ncc(C(=O)[O-])s1)Cc1nc(=O)c2sccc2[n-]1 ZINC001598538230 992866393 /nfs/dbraw/zinc/86/63/93/992866393.db2.gz JJDPMUGJPJHXLD-UHFFFAOYSA-N -2 0 336.398 2.184 20 0 EEADRL C[C@](NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])(C(=O)[O-])C1CC1 ZINC001593155508 993967871 /nfs/dbraw/zinc/96/78/71/993967871.db2.gz DFMVDYTVQHZKQA-GOSISDBHSA-N -2 0 343.335 2.448 20 0 EEADRL COc1ccc2c(c1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)CCC2 ZINC001599634010 994259797 /nfs/dbraw/zinc/25/97/97/994259797.db2.gz QVQBDFXRHLGJHJ-UHFFFAOYSA-N -2 0 337.353 2.276 20 0 EEADRL CC1(C)CCC[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001593897197 996757524 /nfs/dbraw/zinc/75/75/24/996757524.db2.gz KFNIJSOUSZTRMH-ZDUSSCGKSA-N -2 0 339.413 2.157 20 0 EEADRL COCc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C)cn2)c1 ZINC001599280800 996895563 /nfs/dbraw/zinc/89/55/63/996895563.db2.gz JMNZUZHZYOUYIK-UHFFFAOYSA-N -2 0 336.369 2.035 20 0 EEADRL CCn1nc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)c1C ZINC000284925472 539720029 /nfs/dbraw/zinc/72/00/29/539720029.db2.gz BAFNETYICAAWMB-UHFFFAOYSA-N -2 0 337.401 2.327 20 0 EEADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000037642001 213162132 /nfs/dbraw/zinc/16/21/32/213162132.db2.gz TZQLEHZOYVCNFP-UHFFFAOYSA-N -2 0 329.765 2.179 20 0 EEADRL CC(C)n1cnc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])c1 ZINC000338220688 160724755 /nfs/dbraw/zinc/72/47/55/160724755.db2.gz CDDUVFOVMUVKFY-UHFFFAOYSA-N -2 0 345.327 2.241 20 0 EEADRL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c1 ZINC000357103879 163625764 /nfs/dbraw/zinc/62/57/64/163625764.db2.gz JRQWTWBLHPPPAQ-UHFFFAOYSA-N -2 0 341.772 2.474 20 0 EEADRL C[C@]([N-]C(=O)C(F)(F)F)(C(=O)[O-])c1cccc(Br)c1 ZINC000736633166 578215112 /nfs/dbraw/zinc/21/51/12/578215112.db2.gz MHOGJJXNIODNHU-SNVBAGLBSA-N -2 0 340.095 2.427 20 0 EEADRL CCc1ccc(S(=O)(=O)[N-]c2cc(C3CC3)n(C)n2)cc1C(=O)[O-] ZINC000290568371 275218924 /nfs/dbraw/zinc/21/89/24/275218924.db2.gz SWUJTNGYFNGHHK-UHFFFAOYSA-N -2 0 349.412 2.359 20 0 EEADRL Cc1c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cccc1C(=O)[O-] ZINC000319591184 300981027 /nfs/dbraw/zinc/98/10/27/300981027.db2.gz KIPLPTWNBLDUDK-UHFFFAOYSA-N -2 0 335.337 2.192 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)nn1C(C)C ZINC000421178867 314060880 /nfs/dbraw/zinc/06/08/80/314060880.db2.gz YMZSXQRTXXDJHH-UHFFFAOYSA-N -2 0 329.403 2.333 20 0 EEADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)cc1F ZINC000436961922 315016773 /nfs/dbraw/zinc/01/67/73/315016773.db2.gz AURANMLUDQUYCI-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000547910482 318333522 /nfs/dbraw/zinc/33/35/22/318333522.db2.gz MXTGFDZMIIOXMF-RCOVLWMOSA-N -2 0 345.726 2.336 20 0 EEADRL COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000064479124 462705965 /nfs/dbraw/zinc/70/59/65/462705965.db2.gz CTPBYYJYLVXTAH-UHFFFAOYSA-N -2 0 346.364 2.374 20 0 EEADRL Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC000054795375 463262760 /nfs/dbraw/zinc/26/27/60/463262760.db2.gz DQZBKNQHESOVIC-UHFFFAOYSA-N -2 0 335.337 2.192 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cn1 ZINC000338126498 465835842 /nfs/dbraw/zinc/83/58/42/465835842.db2.gz CJMQLSWBVWQWTL-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL CC(=O)c1ccc([O-])c(NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)c1 ZINC000436674745 467549767 /nfs/dbraw/zinc/54/97/67/467549767.db2.gz IYMKIDVFJHYPKI-UHFFFAOYSA-N -2 0 339.307 2.190 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)[nH]n1 ZINC000629314863 469499421 /nfs/dbraw/zinc/49/94/21/469499421.db2.gz RHONSYFGMDHFBY-UHFFFAOYSA-N -2 0 339.373 2.041 20 0 EEADRL COc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)CCC(F)(F)F ZINC000634553844 470265964 /nfs/dbraw/zinc/26/59/64/470265964.db2.gz IUUMJVQXWKJDOY-UHFFFAOYSA-N -2 0 327.280 2.088 20 0 EEADRL CC(C)[C@H](CNC(=O)N=c1[n-]nc(-c2ccsc2)s1)C(=O)[O-] ZINC000653536705 471656106 /nfs/dbraw/zinc/65/61/06/471656106.db2.gz FCSHKMZJDAWZPL-VIFPVBQESA-N -2 0 340.430 2.167 20 0 EEADRL O=C([O-])[C@@H](C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)C1CCCC1 ZINC000663120376 472365412 /nfs/dbraw/zinc/36/54/12/472365412.db2.gz QCROHKZWZALNEG-RBSFLKMASA-N -2 0 331.368 2.307 20 0 EEADRL Cc1cc2cccnc2c(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])c1 ZINC000738478368 576474686 /nfs/dbraw/zinc/47/46/86/576474686.db2.gz MQSXQEMVVWCMCT-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2cnc(Cl)n2C)c1 ZINC000765095133 577494782 /nfs/dbraw/zinc/49/47/82/577494782.db2.gz JVFHQUBXWWCKAI-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL Cc1oncc1[N-]S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000768285175 577553210 /nfs/dbraw/zinc/55/32/10/577553210.db2.gz LDRIEYRKFFYXEH-UHFFFAOYSA-N -2 0 330.749 2.444 20 0 EEADRL O=C([N-]CCCOC(=O)c1ccc([O-])c(Cl)c1)C(F)(F)F ZINC000762831983 577708913 /nfs/dbraw/zinc/70/89/13/577708913.db2.gz TVLPOJDDOJMHGC-UHFFFAOYSA-N -2 0 325.670 2.271 20 0 EEADRL O=C([O-])Cc1csc(NC(=O)c2ccc3[n-]c(=S)oc3c2)n1 ZINC000738634575 578022330 /nfs/dbraw/zinc/02/23/30/578022330.db2.gz WACNONWXINZEEO-UHFFFAOYSA-N -2 0 335.366 2.452 20 0 EEADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cccc3ccccc32)c1C(=O)[O-] ZINC000738828486 578028038 /nfs/dbraw/zinc/02/80/38/578028038.db2.gz YFWJCTKMBVUPQZ-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL CCCC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000736952270 578230817 /nfs/dbraw/zinc/23/08/17/578230817.db2.gz LTEMHPQOLYWYNR-UHFFFAOYSA-N -2 0 339.291 2.009 20 0 EEADRL Cc1ncc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])cn1 ZINC000384224168 600052800 /nfs/dbraw/zinc/05/28/00/600052800.db2.gz UJGPZAVDTCXEFX-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(C(=O)[O-])[nH]1 ZINC000322419780 600254559 /nfs/dbraw/zinc/25/45/59/600254559.db2.gz VFDRYVWJFSCCDK-UHFFFAOYSA-N -2 0 339.329 2.039 20 0 EEADRL Cc1noc(C(F)F)c1C(=O)[N-]c1nnc(CCCC(=O)[O-])s1 ZINC000833020267 600966309 /nfs/dbraw/zinc/96/63/09/600966309.db2.gz YUHQOJYOYZBWIK-UHFFFAOYSA-N -2 0 346.315 2.432 20 0 EEADRL CN(C)c1ccc(Cl)cc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000387722899 600980778 /nfs/dbraw/zinc/98/07/78/600980778.db2.gz NFYWWLDNEXWOIJ-UHFFFAOYSA-N -2 0 343.792 2.233 20 0 EEADRL CC(C)c1noc([N-][C@H]2CCN(c3sccc3C(=O)[O-])C2=O)n1 ZINC000827180176 601201559 /nfs/dbraw/zinc/20/15/59/601201559.db2.gz MWLATWOBCGPBMK-VIFPVBQESA-N -2 0 336.373 2.170 20 0 EEADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cnn(C(C)C)c1 ZINC000831950395 601204190 /nfs/dbraw/zinc/20/41/90/601204190.db2.gz SNFIFMFHGUWXEY-UHFFFAOYSA-N -2 0 345.402 2.033 20 0 EEADRL O=C([O-])CC1(NC(=O)CSc2n[n-]c(=S)s2)CCCCC1 ZINC000833203773 601292018 /nfs/dbraw/zinc/29/20/18/601292018.db2.gz SWMNNJJXMHPNOA-UHFFFAOYSA-N -2 0 347.487 2.213 20 0 EEADRL CCOc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1F ZINC000830084618 601836964 /nfs/dbraw/zinc/83/69/64/601836964.db2.gz HYYGIVZPGWOWQE-UHFFFAOYSA-N -2 0 346.361 2.180 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(OCCF)c2)o1 ZINC000833323922 601856167 /nfs/dbraw/zinc/85/61/67/601856167.db2.gz CJINRLHZTXGUGA-UHFFFAOYSA-N -2 0 329.305 2.127 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])n[nH]c1C1CC1 ZINC000832853145 602103112 /nfs/dbraw/zinc/10/31/12/602103112.db2.gz FNNAIEXCVBYCHQ-UHFFFAOYSA-N -2 0 339.348 2.234 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1nnc(C(F)F)s1 ZINC000832852791 602212728 /nfs/dbraw/zinc/21/27/28/602212728.db2.gz KRSNDSITPNDOSD-UHFFFAOYSA-N -2 0 349.340 2.283 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c2cccnc12 ZINC000832413156 604621615 /nfs/dbraw/zinc/62/16/15/604621615.db2.gz GLGJNTXCZMKBSP-UHFFFAOYSA-N -2 0 347.352 2.071 20 0 EEADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cncc(C(=O)[O-])c2)cc1F ZINC000833744885 604912757 /nfs/dbraw/zinc/91/27/57/604912757.db2.gz SWKXUYRQIIKZKO-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000833599869 605188194 /nfs/dbraw/zinc/18/81/94/605188194.db2.gz AFKHFDRCWBQRIZ-BDAKNGLRSA-N -2 0 345.804 2.279 20 0 EEADRL COc1ccc(O)c(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)c1 ZINC000833733940 605240668 /nfs/dbraw/zinc/24/06/68/605240668.db2.gz WEAHVNWBTWKVOC-UHFFFAOYSA-N -2 0 338.341 2.292 20 0 EEADRL C[C@@H](CN(C)C(=O)c1cc(Cl)cc(Cl)c1[O-])c1nnn[n-]1 ZINC000935365940 1208140120 /nfs/dbraw/zinc/14/01/20/1208140120.db2.gz LZQITBQZKAMNGR-LURJTMIESA-N -2 0 330.175 2.088 20 0 EEADRL CC(C)n1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cn1 ZINC000160100689 1208528439 /nfs/dbraw/zinc/52/84/39/1208528439.db2.gz JXKBSSSPRHSHSB-UHFFFAOYSA-N -2 0 345.327 2.241 20 0 EEADRL C[C@@H]([N-]S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1)C(F)(F)F ZINC000389204499 1253362368 /nfs/dbraw/zinc/36/23/68/1253362368.db2.gz FXPPQYAXJHREJY-SCSAIBSYSA-N -2 0 349.689 2.406 20 0 EEADRL O=S(=O)(CCCF)[N-]c1cc(Br)cc(F)c1[O-] ZINC001189915264 1280550756 /nfs/dbraw/zinc/55/07/56/1280550756.db2.gz KCXBPQSMXHSOAR-UHFFFAOYSA-N -2 0 330.150 2.395 20 0 EEADRL Cc1ccc([C@H](C)NC(=O)c2ccccc2OP(=O)([O-])[O-])nc1 ZINC001189900308 1280570371 /nfs/dbraw/zinc/57/03/71/1280570371.db2.gz ZOBDNGHVFMESSX-NSHDSACASA-N -2 0 336.284 2.353 20 0 EEADRL COC(=O)c1ccc([O-])c(C(=O)Nc2c(O)cccc2C(C)=O)c1 ZINC001192394229 1281969733 /nfs/dbraw/zinc/96/97/33/1281969733.db2.gz FQEORRXQJFBRBL-UHFFFAOYSA-N -2 0 329.308 2.339 20 0 EEADRL Cc1cnn(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001193971989 1282800209 /nfs/dbraw/zinc/80/02/09/1282800209.db2.gz RABCBZXESDYNNS-UHFFFAOYSA-N -2 0 347.755 2.020 20 0 EEADRL O=P([O-])([O-])Oc1ccc(OC2CN(Cc3ccccc3)C2)cc1 ZINC001234337501 1304885054 /nfs/dbraw/zinc/88/50/54/1304885054.db2.gz IKFBYAPEZTYVAJ-UHFFFAOYSA-N -2 0 335.296 2.421 20 0 EEADRL CCOc1ccc(C(=O)OC)c(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242159399 1309622929 /nfs/dbraw/zinc/62/29/29/1309622929.db2.gz NNVUTWMPWHYWQQ-UHFFFAOYSA-N -2 0 345.307 2.330 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(N3C(=O)CCC3=O)cc2)c1 ZINC001242163493 1309624114 /nfs/dbraw/zinc/62/41/14/1309624114.db2.gz XKMQFJRLDOSMKX-UHFFFAOYSA-N -2 0 339.303 2.403 20 0 EEADRL O=P([O-])([O-])c1ccc(-c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC001242903036 1309733916 /nfs/dbraw/zinc/73/39/16/1309733916.db2.gz XOTZTXPBGXKXDK-UHFFFAOYSA-N -2 0 337.287 2.132 20 0 EEADRL O=C(NCCOP(=O)([O-])[O-])C(c1ccccc1)c1ccccc1 ZINC001142798302 1315752070 /nfs/dbraw/zinc/75/20/70/1315752070.db2.gz PLLHLJFJJIBBIJ-UHFFFAOYSA-N -2 0 335.296 2.044 20 0 EEADRL COc1ccc2c(cc(Cl)nc2NCCOP(=O)([O-])[O-])c1 ZINC001157791473 1318863856 /nfs/dbraw/zinc/86/38/56/1318863856.db2.gz PLEICOAPVMIEKX-UHFFFAOYSA-N -2 0 332.680 2.418 20 0 EEADRL O=P([O-])([O-])OCCNc1ncnc2[nH]c3ccc(Cl)cc3c21 ZINC001157791460 1318863937 /nfs/dbraw/zinc/86/39/37/1318863937.db2.gz PCWAERIWSAUGHR-UHFFFAOYSA-N -2 0 342.679 2.286 20 0 EEADRL O=P([O-])([O-])OCCNc1cc(-c2ccc(Cl)nn2)ccc1F ZINC001157795599 1318866491 /nfs/dbraw/zinc/86/64/91/1318866491.db2.gz GTACUPMXZZTCIU-UHFFFAOYSA-N -2 0 347.670 2.457 20 0 EEADRL O=P([O-])([O-])OCCNc1c(Cl)ccc2c(Cl)ncnc21 ZINC001157795556 1318866534 /nfs/dbraw/zinc/86/65/34/1318866534.db2.gz PGAZJCQXNWNMJH-UHFFFAOYSA-N -2 0 338.087 2.458 20 0 EEADRL CCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)cn1 ZINC001259212928 1319488121 /nfs/dbraw/zinc/48/81/21/1319488121.db2.gz CYEHOXSWZKATQL-UHFFFAOYSA-N -2 0 347.755 2.195 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(C(F)F)nc2)ccc1O ZINC001260393345 1319883329 /nfs/dbraw/zinc/88/33/29/1319883329.db2.gz GHKAEVSRKSETHB-UHFFFAOYSA-N -2 0 344.295 2.224 20 0 EEADRL Cc1ccc(Cl)cc1NC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC001600426343 1350048268 /nfs/dbraw/zinc/04/82/68/1350048268.db2.gz RKXKBOFCINZMRU-BXKDBHETSA-N -2 0 340.763 2.430 20 0 EEADRL CC(C)(C)C[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)C(=O)[O-] ZINC001603327774 1350688699 /nfs/dbraw/zinc/68/86/99/1350688699.db2.gz NUPNUMRWJAGQFB-NSHDSACASA-N -2 0 349.412 2.243 20 0 EEADRL O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])C1 ZINC001608621253 1351727761 /nfs/dbraw/zinc/72/77/61/1351727761.db2.gz DAMFPXCBCVWYDR-GUTXKFCHSA-N -2 0 331.368 2.088 20 0 EEADRL O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001608771056 1351759570 /nfs/dbraw/zinc/75/95/70/1351759570.db2.gz OFAJBQFAXKQNCT-NILFDRSVSA-N -2 0 346.383 2.023 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3oc(CO)cc3c2)o1 ZINC001608913681 1351792670 /nfs/dbraw/zinc/79/26/70/1351792670.db2.gz SQSNMYNOPXMNPZ-UHFFFAOYSA-N -2 0 337.309 2.017 20 0 EEADRL O=C([O-])c1cnc([C@H]2CCN(C(=O)c3ccc(F)cc3[O-])C2)s1 ZINC001608969377 1351804438 /nfs/dbraw/zinc/80/44/38/1351804438.db2.gz RTEPFHGHDLXFPQ-QMMMGPOBSA-N -2 0 336.344 2.316 20 0 EEADRL O=C([O-])c1cnc(CC2CCN(C(=O)c3cncc(O)c3)CC2)s1 ZINC001608970667 1351804550 /nfs/dbraw/zinc/80/45/50/1351804550.db2.gz XTMXUAPCIFELJN-UHFFFAOYSA-N -2 0 347.396 2.037 20 0 EEADRL O=C([O-])c1csc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)c1 ZINC001608993446 1351810121 /nfs/dbraw/zinc/81/01/21/1351810121.db2.gz MVDOJVSSCJGWPK-UHFFFAOYSA-N -2 0 329.321 2.210 20 0 EEADRL O=C([O-])c1ncsc1S(=O)(=O)NCCc1ccccc1Cl ZINC001609003685 1351811774 /nfs/dbraw/zinc/81/17/74/1351811774.db2.gz YMUKZLYLLUDTCC-UHFFFAOYSA-N -2 0 346.817 2.016 20 0 EEADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(C2CCC2)cc1 ZINC001609638374 1352047255 /nfs/dbraw/zinc/04/72/55/1352047255.db2.gz DZLDOPYRKSEVDX-GHMZBOCLSA-N -2 0 339.413 2.123 20 0 EEADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC001609639060 1352048277 /nfs/dbraw/zinc/04/82/77/1352048277.db2.gz QCPWUKJIRVHTNX-PDWCTOEPSA-N -2 0 345.461 2.148 20 0 EEADRL C[C@@H](OC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1ccc(C(=O)[O-])o1 ZINC001609788826 1352085380 /nfs/dbraw/zinc/08/53/80/1352085380.db2.gz FDLPPSLQMZBGFN-ZCFIWIBFSA-N -2 0 337.250 2.039 20 0 EEADRL CC[C@@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001609899088 1352114220 /nfs/dbraw/zinc/11/42/20/1352114220.db2.gz BRWWUAALBKFFHY-GHMZBOCLSA-N -2 0 327.402 2.013 20 0 EEADRL CCC(CC)(CC(=O)[O-])NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC001609912010 1352118088 /nfs/dbraw/zinc/11/80/88/1352118088.db2.gz CPKXWDPKHXGMFJ-UHFFFAOYSA-N -2 0 331.372 2.341 20 0 EEADRL CCOCc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC001610037157 1352147070 /nfs/dbraw/zinc/14/70/70/1352147070.db2.gz JAXCDHHNXJOYSZ-UHFFFAOYSA-N -2 0 342.398 2.179 20 0 EEADRL CCn1nccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001610086912 1352159222 /nfs/dbraw/zinc/15/92/22/1352159222.db2.gz TYRKSPNYYCRBAT-UHFFFAOYSA-N -2 0 329.765 2.055 20 0 EEADRL COc1cc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])ccc1F ZINC001610306636 1352202962 /nfs/dbraw/zinc/20/29/62/1352202962.db2.gz BRJXXSJIBMEYFL-UHFFFAOYSA-N -2 0 331.346 2.395 20 0 EEADRL Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c(C(=O)[O-])c1 ZINC001610513784 1352236457 /nfs/dbraw/zinc/23/64/57/1352236457.db2.gz VGMSPEBWVNXIRE-UHFFFAOYSA-N -2 0 335.337 2.192 20 0 EEADRL O=C([O-])CCCNC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001610769809 1352271677 /nfs/dbraw/zinc/27/16/77/1352271677.db2.gz GZRBIAGKALETDG-UHFFFAOYSA-N -2 0 326.374 2.311 20 0 EEADRL O=C([O-])c1cncc(S(=O)(=O)[N-]c2nc3ccccc3s2)c1 ZINC001610864599 1352287398 /nfs/dbraw/zinc/28/73/98/1352287398.db2.gz QQAZGZAUWWUXPM-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL Cc1cc(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)oc1C(=O)[O-] ZINC001600100243 1349970893 /nfs/dbraw/zinc/97/08/93/1349970893.db2.gz RPEJYWMMGDYEIQ-UHFFFAOYSA-N -2 0 328.284 2.029 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)c2ccoc2C(C)C)oc1C(=O)[O-] ZINC001600296368 1350013444 /nfs/dbraw/zinc/01/34/44/1350013444.db2.gz CKVYYEUSJWEIRU-UHFFFAOYSA-N -2 0 341.341 2.121 20 0 EEADRL Cc1ccc(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)cc1C(=O)[O-] ZINC001600343369 1350024755 /nfs/dbraw/zinc/02/47/55/1350024755.db2.gz FTBWNPIFHLEXDP-UHFFFAOYSA-N -2 0 339.307 2.289 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)c1C(=O)[O-] ZINC001600550677 1350079982 /nfs/dbraw/zinc/07/99/82/1350079982.db2.gz MAIYZNLVYGTYQI-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1nnc(CC(C)C)o1 ZINC001600655034 1350108504 /nfs/dbraw/zinc/10/85/04/1350108504.db2.gz QCEZCTXYNCWVNE-UHFFFAOYSA-N -2 0 345.402 2.137 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(CC(C)C)n[nH]1 ZINC001600837131 1350148017 /nfs/dbraw/zinc/14/80/17/1350148017.db2.gz AUXXRWOFFIVJBR-UHFFFAOYSA-N -2 0 327.362 2.009 20 0 EEADRL Cc1sc(NC(=O)NCC2(C(=O)[O-])CCC2)c(C(=O)[O-])c1C ZINC001600887547 1350161020 /nfs/dbraw/zinc/16/10/20/1350161020.db2.gz YNTMLDMRIJDISS-UHFFFAOYSA-N -2 0 326.374 2.440 20 0 EEADRL Cn1nc(C2CC2)cc1S(=O)(=O)[N-]c1cccc(CCC(=O)[O-])c1 ZINC001601008222 1350188248 /nfs/dbraw/zinc/18/82/48/1350188248.db2.gz FRWPIBULXCNDJS-UHFFFAOYSA-N -2 0 349.412 2.116 20 0 EEADRL O=C([O-])c1ccc(CC(=O)NCc2cc(=O)[nH]c(C3CCC3)n2)cc1 ZINC001601356510 1350265270 /nfs/dbraw/zinc/26/52/70/1350265270.db2.gz XRZRWFITGXSCDK-UHFFFAOYSA-N -2 0 341.367 2.007 20 0 EEADRL O=C([O-])C1CC2(C1)CN(C(=O)[C@@H]1CCC=CCCC1)C[C@H]2C(=O)[O-] ZINC001601777822 1350362363 /nfs/dbraw/zinc/36/23/63/1350362363.db2.gz AOINQXQNEWJERZ-VUULHSHRSA-N -2 0 335.400 2.147 20 0 EEADRL O=C([O-])CCCc1nnc(NC(=O)c2nncc3ccccc32)s1 ZINC001602003126 1350415925 /nfs/dbraw/zinc/41/59/25/1350415925.db2.gz BYGMJTJJZCIWRP-UHFFFAOYSA-N -2 0 343.368 2.141 20 0 EEADRL O=C([O-])CCSCCNC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001602029492 1350421414 /nfs/dbraw/zinc/42/14/14/1350421414.db2.gz PNORTSLDFCFJRF-UHFFFAOYSA-N -2 0 337.319 2.349 20 0 EEADRL O=C([O-])[C@@H]1C[C@H](F)CN1Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC001602197101 1350463264 /nfs/dbraw/zinc/46/32/64/1350463264.db2.gz MVJHYBGZHPGBST-KWQFWETISA-N -2 0 341.722 2.149 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)s1 ZINC001602401984 1350510842 /nfs/dbraw/zinc/51/08/42/1350510842.db2.gz ZPSZWLKLQBVYOT-UHFFFAOYSA-N -3 0 345.329 2.084 20 0 EEADRL CC(C)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)c1 ZINC001603402584 1350701009 /nfs/dbraw/zinc/70/10/09/1350701009.db2.gz VIVBBOBFWWTUTC-UHFFFAOYSA-N -2 0 333.373 2.384 20 0 EEADRL CC(C)c1ccc([C@@H](C)CC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cc1 ZINC001603994485 1350824070 /nfs/dbraw/zinc/82/40/70/1350824070.db2.gz HGGDIVTXAUSLLW-RYUDHWBXSA-N -2 0 341.429 2.223 20 0 EEADRL CCC[C@@H](NC(=O)c1cc(Br)c(F)cc1[O-])C(=O)[O-] ZINC001605354584 1351143505 /nfs/dbraw/zinc/14/35/05/1351143505.db2.gz BUXCOQMBCQPJSQ-SECBINFHSA-N -2 0 334.141 2.277 20 0 EEADRL CCCc1cnc([N-]S(=O)(=O)c2csnc2C(=O)[O-])s1 ZINC001605378137 1351148801 /nfs/dbraw/zinc/14/88/01/1351148801.db2.gz OFBFREIYMLFYMZ-UHFFFAOYSA-N -2 0 333.416 2.051 20 0 EEADRL COc1cc(S(=O)(=O)[N-]c2cnoc2C2CC2)ccc1C(=O)[O-] ZINC001607190465 1351446089 /nfs/dbraw/zinc/44/60/89/1351446089.db2.gz UKEBUHZFONTTQS-UHFFFAOYSA-N -2 0 338.341 2.060 20 0 EEADRL COc1ccc2c(c1)-c1[n-]n(-c3ccc(CC(=O)[O-])cc3)c(=O)c1C2 ZINC001607294019 1351466584 /nfs/dbraw/zinc/46/65/84/1351466584.db2.gz BJVHBDSKRCPFEQ-INIZCTEOSA-N -2 0 336.347 2.246 20 0 EEADRL Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)c1s[n-]c(=O)c1Cl ZINC001608009784 1351604033 /nfs/dbraw/zinc/60/40/33/1351604033.db2.gz ZIBYOYJGWXLUMK-UHFFFAOYSA-N -2 0 344.780 2.042 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC001608042281 1351612156 /nfs/dbraw/zinc/61/21/56/1351612156.db2.gz PICXZXNQFYPGBQ-UHFFFAOYSA-N -2 0 345.402 2.236 20 0 EEADRL Cc1oc(CN(C)C(=O)NCc2cccc(C(=O)[O-])c2)cc1C(=O)[O-] ZINC001608043958 1351613010 /nfs/dbraw/zinc/61/30/10/1351613010.db2.gz FXIIIWHLOGJROF-UHFFFAOYSA-N -2 0 346.339 2.326 20 0 EEADRL CCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)n1 ZINC001195202195 1368509418 /nfs/dbraw/zinc/50/94/18/1368509418.db2.gz SDLXHGJTXOTDPS-UHFFFAOYSA-N -2 0 342.323 2.421 20 0 EEADRL C[C@@H](O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000321588777 1409862012 /nfs/dbraw/zinc/86/20/12/1409862012.db2.gz PPSQZLFLFXSHES-SECBINFHSA-N -2 0 339.344 2.378 20 0 EEADRL CCSCC[C@@H](C)N(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000906882635 784208593 /nfs/dbraw/zinc/20/85/93/784208593.db2.gz YAJGJIMIVMGAGJ-SNVBAGLBSA-N -2 0 347.458 2.243 20 0 EEADRL COc1c(Br)cc(C)cc1NCCOP(=O)([O-])[O-] ZINC001168596170 791048401 /nfs/dbraw/zinc/04/84/01/791048401.db2.gz QIWFGONLRQRXMM-UHFFFAOYSA-N -2 0 340.110 2.287 20 0 EEADRL Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c(Cl)c1C ZINC000910182296 786514502 /nfs/dbraw/zinc/51/45/02/786514502.db2.gz GOABFTBJWLPCCA-JQWIXIFHSA-N -2 0 339.775 2.347 20 0 EEADRL Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c(Cl)c1 ZINC000910186018 786517383 /nfs/dbraw/zinc/51/73/83/786517383.db2.gz MDLHJNFOMIDOQO-BXKDBHETSA-N -2 0 325.748 2.038 20 0 EEADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc2cccnc21 ZINC000821106624 786625945 /nfs/dbraw/zinc/62/59/45/786625945.db2.gz KPXYBRQJCICOBP-UHFFFAOYSA-N -2 0 346.368 2.074 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccsc2C(F)F)C1 ZINC000923102746 788816045 /nfs/dbraw/zinc/81/60/45/788816045.db2.gz ODBBTTCOXILNFA-XPUUQOCRSA-N -2 0 333.312 2.076 20 0 EEADRL CCOC(=O)c1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn1 ZINC001176240151 798391396 /nfs/dbraw/zinc/39/13/96/798391396.db2.gz VKKOVULRGOLWLL-UHFFFAOYSA-N -2 0 330.296 2.398 20 0 EEADRL CN(C)C(=O)c1cccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1O ZINC001176244181 798393149 /nfs/dbraw/zinc/39/31/49/798393149.db2.gz HQCAIGMEKULFQW-UHFFFAOYSA-N -2 0 344.323 2.234 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cc3ccccn3n2)cc1C(=O)[O-] ZINC001184670098 802104706 /nfs/dbraw/zinc/10/47/06/802104706.db2.gz LQCORHZSOUCRSU-UHFFFAOYSA-N -2 0 331.353 2.142 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)nc1 ZINC000041115309 957387163 /nfs/dbraw/zinc/38/71/63/957387163.db2.gz JRDCSKKRXZPUSK-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000184911179 959469578 /nfs/dbraw/zinc/46/95/78/959469578.db2.gz SFSSAHSWYWTFOV-UHFFFAOYSA-N -2 0 340.332 2.499 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc1F ZINC000314618796 963778194 /nfs/dbraw/zinc/77/81/94/963778194.db2.gz UFCSNBRSRPGFEX-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL CC(C)c1ccc(NC(=O)C(=O)[N-]OC/C=C/Cl)c(C(=O)[O-])c1 ZINC001591963095 976552006 /nfs/dbraw/zinc/55/20/06/976552006.db2.gz VFNWHOCIYNUUJR-ZZXKWVIFSA-N -2 0 340.763 2.247 20 0 EEADRL C[C@@H](CC(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1)c1ccccc1 ZINC001592227004 977422581 /nfs/dbraw/zinc/42/25/81/977422581.db2.gz KIWKIGJZVUYSLR-TXZORMDMSA-N -2 0 345.395 2.204 20 0 EEADRL CCC/C=C/C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001595624429 981732182 /nfs/dbraw/zinc/73/21/82/981732182.db2.gz VNSQGEUEUJOLKK-SNAWJCMRSA-N -2 0 331.777 2.199 20 0 EEADRL C[C@H]1CC[C@@](C)(C[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)C1(C)C ZINC001599907657 984943818 /nfs/dbraw/zinc/94/38/18/984943818.db2.gz AUBLVNRACFCGQR-XPTSAGLGSA-N -2 0 330.406 2.114 20 0 EEADRL C[C@H](C(=O)[O-])[S@](=O)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001589492050 987061522 /nfs/dbraw/zinc/06/15/22/987061522.db2.gz QHVWJEABBPHNOI-CWMRNNLJSA-N -2 0 339.394 2.230 20 0 EEADRL CCc1[nH]c(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])c(C)c1C(=O)[O-] ZINC001597361627 987521916 /nfs/dbraw/zinc/52/19/16/987521916.db2.gz STBBXNDFSWTKMV-LLVKDONJSA-N -2 0 336.388 2.443 20 0 EEADRL CSc1ccc([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)nc1 ZINC001599819974 988495055 /nfs/dbraw/zinc/49/50/55/988495055.db2.gz LFRDDCCOGYZQMU-UHFFFAOYSA-N -2 0 339.398 2.006 20 0 EEADRL CSc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])n(C)c1 ZINC001599826204 988601734 /nfs/dbraw/zinc/60/17/34/988601734.db2.gz HNHMLUIDAMBAPF-UHFFFAOYSA-N -2 0 326.399 2.246 20 0 EEADRL CCc1ncc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])cn1 ZINC001597702889 988933191 /nfs/dbraw/zinc/93/31/91/988933191.db2.gz QGNGDLCMMIGLQN-UHFFFAOYSA-N -2 0 341.776 2.191 20 0 EEADRL CCn1c2ccccc2nc1SCC(=O)[N-]OCCCC(=O)[O-] ZINC001597865581 989657023 /nfs/dbraw/zinc/65/70/23/989657023.db2.gz VIINRVPUJLPJMH-UHFFFAOYSA-N -2 0 337.401 2.061 20 0 EEADRL COc1ccccc1S(=O)(=O)[N-]c1nc2c(cccc2C(=O)[O-])[nH]1 ZINC001599718379 991495126 /nfs/dbraw/zinc/49/51/26/991495126.db2.gz WTAOOALSHWQETJ-UHFFFAOYSA-N -2 0 347.352 2.071 20 0 EEADRL CO[C@]1(C(=O)[O-])CCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC001599073437 996814869 /nfs/dbraw/zinc/81/48/69/996814869.db2.gz KXHYFNXPZUFBPV-CYBMUJFWSA-N -2 0 334.155 2.015 20 0 EEADRL CC1(CC(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)CCCC1 ZINC001593997771 997317470 /nfs/dbraw/zinc/31/74/70/997317470.db2.gz PALOUSOKKGHPQS-UHFFFAOYSA-N -2 0 331.415 2.222 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2cc(F)ccc2OC)cc1C(=O)[O-] ZINC000350278013 539870776 /nfs/dbraw/zinc/87/07/76/539870776.db2.gz JGGQGLUQCHWMCX-UHFFFAOYSA-N -2 0 342.348 2.155 20 0 EEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(O)cc(F)c1 ZINC000448073730 242358139 /nfs/dbraw/zinc/35/81/39/242358139.db2.gz FTRFRCZSRMDDDN-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL CCn1nc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1C ZINC000268133603 256117801 /nfs/dbraw/zinc/11/78/01/256117801.db2.gz OYCPYGLICUCNTG-UHFFFAOYSA-N -2 0 337.401 2.327 20 0 EEADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000184656659 160013111 /nfs/dbraw/zinc/01/31/11/160013111.db2.gz MIBPTHMRUDLNPQ-VIFPVBQESA-N -2 0 337.401 2.091 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cn(C)nc1C1CC1 ZINC000291072024 275267207 /nfs/dbraw/zinc/26/72/07/275267207.db2.gz IWBSOIBAGOQPEL-UHFFFAOYSA-N -2 0 335.385 2.105 20 0 EEADRL Cc1ccc(C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)c(O)c1 ZINC000291168401 275277701 /nfs/dbraw/zinc/27/77/01/275277701.db2.gz RLGAREMSJRGUMO-LLVKDONJSA-N -2 0 344.333 2.231 20 0 EEADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c1 ZINC000436893891 315010004 /nfs/dbraw/zinc/01/00/04/315010004.db2.gz OZOVFEFEKMRHEN-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)cnc1N ZINC000547560125 318299622 /nfs/dbraw/zinc/29/96/22/318299622.db2.gz VZXLCFIKNVXISY-UHFFFAOYSA-N -2 0 341.776 2.125 20 0 EEADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-]CC1(CC(=O)[O-])CCCCC1 ZINC000547910701 318333470 /nfs/dbraw/zinc/33/34/70/318333470.db2.gz BTLSMVLWPGIESO-VIFPVBQESA-N -2 0 331.356 2.282 20 0 EEADRL O=C([O-])[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1sccc1Cl ZINC000571856743 319792418 /nfs/dbraw/zinc/79/24/18/319792418.db2.gz HSKQJGMFFSOMTI-RXMQYKEDSA-N -2 0 337.728 2.085 20 0 EEADRL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000577283922 320247203 /nfs/dbraw/zinc/24/72/03/320247203.db2.gz AFQIVEBKIJJEAB-QMMMGPOBSA-N -2 0 343.298 2.021 20 0 EEADRL C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000581937736 324345219 /nfs/dbraw/zinc/34/52/19/324345219.db2.gz JHQMQQWIMSVITO-GHMZBOCLSA-N -2 0 347.346 2.042 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3c2CCO3)c(F)c1 ZINC000358497666 465159573 /nfs/dbraw/zinc/15/95/73/465159573.db2.gz RVUFWBBDWZKQGU-UHFFFAOYSA-N -2 0 337.328 2.260 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)sc1C(=O)[O-] ZINC000590695959 468310298 /nfs/dbraw/zinc/31/02/98/468310298.db2.gz KFZZPWWPVLIHAX-UHFFFAOYSA-N -2 0 339.398 2.223 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)sc1C(=O)[O-] ZINC000042794775 463598183 /nfs/dbraw/zinc/59/81/83/463598183.db2.gz WZVDQHUBJKRGOM-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2ccc3ncsc3c2)cc1C(=O)[O-] ZINC000194156884 463803309 /nfs/dbraw/zinc/80/33/09/463803309.db2.gz URPDXGGZSHLKFL-UHFFFAOYSA-N -2 0 337.382 2.134 20 0 EEADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NC(C)(C)CCC(=O)[O-])n1 ZINC000237659001 464359690 /nfs/dbraw/zinc/35/96/90/464359690.db2.gz SLADXDGRBPGHPD-UHFFFAOYSA-N -2 0 349.362 2.399 20 0 EEADRL CCCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000298421042 465391064 /nfs/dbraw/zinc/39/10/64/465391064.db2.gz QNPLRMXVGSFWBU-UHFFFAOYSA-N -2 0 338.385 2.313 20 0 EEADRL Cc1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)ccc1C(=O)[O-] ZINC000342972559 465424915 /nfs/dbraw/zinc/42/49/15/465424915.db2.gz QTNOUAIWPCIQPE-UHFFFAOYSA-N -2 0 335.337 2.192 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2OCCO3)cs1 ZINC000340130650 465794672 /nfs/dbraw/zinc/79/46/72/465794672.db2.gz WGOWAPCHKMKLKK-UHFFFAOYSA-N -2 0 341.366 2.018 20 0 EEADRL CC(=O)Nc1ccc(O)c(C(=O)Nc2n[nH]c(-c3ccc(C)o3)n2)c1 ZINC000353478887 465917119 /nfs/dbraw/zinc/91/71/19/465917119.db2.gz WLTRZPSOXJYPMP-UHFFFAOYSA-N -2 0 341.327 2.289 20 0 EEADRL Cc1ccc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1C(=O)[O-] ZINC000362786297 466025649 /nfs/dbraw/zinc/02/56/49/466025649.db2.gz UAIGGROJHNDFQZ-UHFFFAOYSA-N -2 0 348.380 2.317 20 0 EEADRL COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000317504809 466581708 /nfs/dbraw/zinc/58/17/08/466581708.db2.gz OXYGXFHZPJOPJG-UHFFFAOYSA-N -2 0 338.366 2.127 20 0 EEADRL CCc1onc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000534614787 468268229 /nfs/dbraw/zinc/26/82/29/468268229.db2.gz RRHBZTBGSFMGPV-UHFFFAOYSA-N -2 0 330.387 2.414 20 0 EEADRL O=C([O-])[C@@H]1C[C@H]1c1ccc(NS(=O)(=O)CCOCC2CC2)cc1 ZINC000630423592 469840992 /nfs/dbraw/zinc/84/09/92/469840992.db2.gz GMICINURFHUGDI-LSDHHAIUSA-N -2 0 339.413 2.043 20 0 EEADRL O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000653280894 471565037 /nfs/dbraw/zinc/56/50/37/471565037.db2.gz OXNFQLFBIXJAJS-ILXRZTDVSA-N -2 0 333.384 2.080 20 0 EEADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cccc(C)c2O)c1 ZINC000674754300 485797439 /nfs/dbraw/zinc/79/74/39/485797439.db2.gz BHAKAUJWGKIJBI-UHFFFAOYSA-N -2 0 337.353 2.214 20 0 EEADRL Cc1cc(C)c(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cc1O ZINC000680820332 486055495 /nfs/dbraw/zinc/05/54/95/486055495.db2.gz GKYLLELOYVUJGF-UHFFFAOYSA-N -2 0 340.339 2.319 20 0 EEADRL COc1cccnc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000738142798 576649551 /nfs/dbraw/zinc/64/95/51/576649551.db2.gz JRKNDDJLHGENGP-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000737839598 577017167 /nfs/dbraw/zinc/01/71/67/577017167.db2.gz MRYOQTOQQYJTML-UHFFFAOYSA-N -2 0 331.733 2.441 20 0 EEADRL Cc1cccc([C@@H](CC(=O)[O-])[N-]S(=O)(=O)[C@H](C)C(F)(F)F)c1 ZINC000776472065 577460450 /nfs/dbraw/zinc/46/04/50/577460450.db2.gz BEGIWYCMAHABTN-MWLCHTKSSA-N -2 0 339.335 2.381 20 0 EEADRL O=C([O-])Nc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000740033307 578078130 /nfs/dbraw/zinc/07/81/30/578078130.db2.gz KFRIZQYTTYMXRZ-UHFFFAOYSA-N -2 0 338.316 2.034 20 0 EEADRL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)C(C)(C)C ZINC000736217518 578187816 /nfs/dbraw/zinc/18/78/16/578187816.db2.gz XOJJECSYHUVOHE-JTQLQIEISA-N -2 0 327.402 2.013 20 0 EEADRL Cn1nccc1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000316020164 600101824 /nfs/dbraw/zinc/10/18/24/600101824.db2.gz SXEZCUSTJHLGKZ-UHFFFAOYSA-N -2 0 337.382 2.134 20 0 EEADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c1 ZINC000833334829 600982962 /nfs/dbraw/zinc/98/29/62/600982962.db2.gz LOTRREMVAJSXBT-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL Cn1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)nc2cc(F)ccc21 ZINC000833039556 600988908 /nfs/dbraw/zinc/98/89/08/600988908.db2.gz LOONKHCGCCSTOG-UHFFFAOYSA-N -2 0 349.343 2.211 20 0 EEADRL Cc1cscc1C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000832990255 601142268 /nfs/dbraw/zinc/14/22/68/601142268.db2.gz QPZXSVTWIHTIPT-UHFFFAOYSA-N -2 0 339.394 2.015 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2n[nH]c3cccc(F)c32)c1 ZINC000833335014 601201377 /nfs/dbraw/zinc/20/13/77/601201377.db2.gz ZGGSJKVQRNDLFA-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc(OC)c1 ZINC000832026264 601231238 /nfs/dbraw/zinc/23/12/38/601231238.db2.gz KHMLRBQJMIYWOX-UHFFFAOYSA-N -2 0 341.341 2.104 20 0 EEADRL CC(C)n1cc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cn1 ZINC000827186485 601839708 /nfs/dbraw/zinc/83/97/08/601839708.db2.gz LMVNZJMXESYJIW-UHFFFAOYSA-N -2 0 344.780 2.011 20 0 EEADRL CC(C)c1cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])n[nH]1 ZINC000827112944 601850628 /nfs/dbraw/zinc/85/06/28/601850628.db2.gz RFNQLWAOWNINDF-UHFFFAOYSA-N -2 0 327.337 2.171 20 0 EEADRL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000831852108 602119708 /nfs/dbraw/zinc/11/97/08/602119708.db2.gz RIAXZWFFZJKVNS-UHFFFAOYSA-N -2 0 333.268 2.065 20 0 EEADRL Cc1ccc(-n2[n-]c(C(=O)Nc3cc(C(=O)[O-])cs3)cc2=O)cc1 ZINC000832910097 604314474 /nfs/dbraw/zinc/31/44/74/604314474.db2.gz MQHCUZFVJQLORJ-UHFFFAOYSA-N -2 0 343.364 2.486 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)nc1Cl ZINC000833055474 604398340 /nfs/dbraw/zinc/39/83/40/604398340.db2.gz DOOINKLSMWJWJM-UHFFFAOYSA-N -2 0 348.743 2.103 20 0 EEADRL CCc1nc([N-]S(=O)(=O)c2c(F)cccc2F)sc1C(=O)[O-] ZINC000833675009 604991040 /nfs/dbraw/zinc/99/10/40/604991040.db2.gz LFMMAJXELZJKND-UHFFFAOYSA-N -2 0 348.352 2.483 20 0 EEADRL C[C@H]1CC(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C[C@H](C)C1 ZINC000833594765 605678280 /nfs/dbraw/zinc/67/82/80/605678280.db2.gz PTHJOPKUGJXBKD-RKDXNWHRSA-N -2 0 345.442 2.324 20 0 EEADRL CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)s1 ZINC000863956661 1197936238 /nfs/dbraw/zinc/93/62/38/1197936238.db2.gz RJYLBNKTANAHAL-UHFFFAOYSA-N -2 0 345.442 2.105 20 0 EEADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1csc2ccccc21 ZINC000863961023 1197937506 /nfs/dbraw/zinc/93/75/06/1197937506.db2.gz DNPMNHHYXKGLFV-LBPRGKRZSA-N -2 0 341.410 2.063 20 0 EEADRL Cc1cnn(C)c1S(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)[O-] ZINC000794756805 1197960006 /nfs/dbraw/zinc/96/00/06/1197960006.db2.gz FTAUQGPOYTVERG-UHFFFAOYSA-N -2 0 345.380 2.381 20 0 EEADRL O=C(Nc1nccnc1C1CC1)c1ccccc1OP(=O)([O-])[O-] ZINC001189861567 1280523335 /nfs/dbraw/zinc/52/33/35/1280523335.db2.gz VPHNTCOHLJNYDH-UHFFFAOYSA-N -2 0 335.256 2.078 20 0 EEADRL Cc1cnn(CC2CCC2)c1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198746305 1285317329 /nfs/dbraw/zinc/31/73/29/1285317329.db2.gz CJZYRVVKPZJFQK-UHFFFAOYSA-N -2 0 349.412 2.491 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cc(C(=O)N3CCCC3)ccn2)c1 ZINC001242159125 1309621464 /nfs/dbraw/zinc/62/14/64/1309621464.db2.gz HSYAMOGWOOIJHI-UHFFFAOYSA-N -2 0 340.335 2.381 20 0 EEADRL O=c1cc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)nc(Cl)[n-]1 ZINC001259034651 1319419069 /nfs/dbraw/zinc/41/90/69/1319419069.db2.gz CCJBJQJIHGDYIN-UHFFFAOYSA-N -2 0 339.682 2.054 20 0 EEADRL Cc1cc2c(ncnc2[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)s1 ZINC001260182461 1319816759 /nfs/dbraw/zinc/81/67/59/1319816759.db2.gz DJKRYFWDWKLVBP-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ncc3ccccc3n2)c1 ZINC001260209123 1319831012 /nfs/dbraw/zinc/83/10/12/1319831012.db2.gz JBMIMAVNBSXDJC-UHFFFAOYSA-N -2 0 347.327 2.268 20 0 EEADRL Cn1c(CNc2ccc(P(=O)([O-])[O-])cc2)ccc1C(F)(F)F ZINC001162760746 1320952240 /nfs/dbraw/zinc/95/22/40/1320952240.db2.gz WBASQHRRIBCRIL-UHFFFAOYSA-N -2 0 334.234 2.459 20 0 EEADRL O=C([O-])c1cc(Cl)ccc1NC(=O)C(=O)[N-]OCc1ccccc1 ZINC001608484727 1351702573 /nfs/dbraw/zinc/70/25/73/1351702573.db2.gz PNBITNADZCAGLS-UHFFFAOYSA-N -2 0 348.742 2.225 20 0 EEADRL Cn1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)n1 ZINC001600938592 1350172911 /nfs/dbraw/zinc/17/29/11/1350172911.db2.gz HGPJYLDKIQZKPA-UHFFFAOYSA-N -2 0 343.430 2.278 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)c(F)c1 ZINC001602397915 1350510372 /nfs/dbraw/zinc/51/03/72/1350510372.db2.gz NBFBADBNMGMXIQ-UHFFFAOYSA-N -2 0 341.282 2.287 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)c1 ZINC001608991326 1351809482 /nfs/dbraw/zinc/80/94/82/1351809482.db2.gz QEVAKZOOHAHALW-UHFFFAOYSA-N -2 0 334.309 2.434 20 0 EEADRL O=C([O-])c1sccc1[N-]S(=O)(=O)c1cnn(C2CCC2)c1 ZINC001609010068 1351813469 /nfs/dbraw/zinc/81/34/69/1351813469.db2.gz YCECZGGQTMCQGD-UHFFFAOYSA-N -2 0 327.387 2.169 20 0 EEADRL COc1ncc(C)cc1[N-]S(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC001610371276 1352212649 /nfs/dbraw/zinc/21/26/49/1352212649.db2.gz TYTYHOHEFSENQR-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL Cc1ccc(Cl)cc1NC(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)[O-] ZINC001610502983 1352234628 /nfs/dbraw/zinc/23/46/28/1352234628.db2.gz VMYGCCUPQBRNMG-SKDRFNHKSA-N -2 0 340.763 2.430 20 0 EEADRL O=C([O-])c1ccc(CN2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)cc1Cl ZINC001610826995 1352281604 /nfs/dbraw/zinc/28/16/04/1352281604.db2.gz KZQCMGKGVKBICE-JTQLQIEISA-N -2 0 336.779 2.242 20 0 EEADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(Cl)cc1O ZINC001610873423 1352288798 /nfs/dbraw/zinc/28/87/98/1352288798.db2.gz WHHDQCUVLBLKNP-UHFFFAOYSA-N -2 0 334.762 2.001 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cnn([C@@H](C)C3CC3)c2)oc1C(=O)[O-] ZINC001600301434 1350015221 /nfs/dbraw/zinc/01/52/21/1350015221.db2.gz HVVHFPOIDMFBLA-VIFPVBQESA-N -2 0 339.373 2.255 20 0 EEADRL Cc1cccc(NC(=O)N2C[C@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)c1 ZINC001600539935 1350077146 /nfs/dbraw/zinc/07/71/46/1350077146.db2.gz MUJDCYUBULVJRE-OFKYTCTHSA-N -2 0 332.356 2.024 20 0 EEADRL O=C([O-])CCCCOC(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC001601989544 1350412251 /nfs/dbraw/zinc/41/22/51/1350412251.db2.gz ZZJMCNSBGFMQRP-UHFFFAOYSA-N -2 0 340.282 2.268 20 0 EEADRL O=C([O-])c1cc(NC(=O)N2CC[C@H](C(=O)[O-])C2)cc(F)c1Cl ZINC001602279867 1350484880 /nfs/dbraw/zinc/48/48/80/1350484880.db2.gz MCMFEIWOHFKVAA-LURJTMIESA-N -2 0 330.699 2.116 20 0 EEADRL O=Cc1ccc(-c2ccc(C(=O)N[C@@H](CC3CC3)C(=O)[O-])c([O-])c2)o1 ZINC001602664774 1350568852 /nfs/dbraw/zinc/56/88/52/1350568852.db2.gz BVHDCMZDTHFXTH-AWEZNQCLSA-N -2 0 343.335 2.448 20 0 EEADRL CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001603069912 1350631969 /nfs/dbraw/zinc/63/19/69/1350631969.db2.gz UCCUEILSZNTPOJ-UHFFFAOYSA-N -2 0 338.341 2.045 20 0 EEADRL CC(C)Cc1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])cc1 ZINC001603848131 1350782200 /nfs/dbraw/zinc/78/22/00/1350782200.db2.gz ZHLUSMPHBPHXPC-RYUDHWBXSA-N -2 0 341.429 2.054 20 0 EEADRL C[C@@H](NC(=O)c1s[n-]c(=O)c1Cl)c1ncc(C(=O)[O-])s1 ZINC001604320311 1350914607 /nfs/dbraw/zinc/91/46/07/1350914607.db2.gz XNFCLGZVYOZGDM-GSVOUGTGSA-N -2 0 333.778 2.148 20 0 EEADRL CC1(C)CCC(C)(NS(=O)(=O)c2scnc2C(=O)[O-])CC1 ZINC001604522308 1350954230 /nfs/dbraw/zinc/95/42/30/1350954230.db2.gz ZGVSGNGEBMZPST-UHFFFAOYSA-N -2 0 332.447 2.479 20 0 EEADRL CC1(C)CCC[C@@](NC(=O)Cc2ccccc2C(=O)[O-])(C(=O)[O-])C1 ZINC001604527940 1350955637 /nfs/dbraw/zinc/95/56/37/1350955637.db2.gz WJFILSUQWMEVOD-SFHVURJKSA-N -2 0 333.384 2.467 20 0 EEADRL CC1(C)Cc2cc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])n3)ccc2O1 ZINC001604552742 1350959435 /nfs/dbraw/zinc/95/94/35/1350959435.db2.gz MKKYIMPTJKFLHC-UHFFFAOYSA-N -2 0 348.380 2.294 20 0 EEADRL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C1 ZINC001604653058 1350977759 /nfs/dbraw/zinc/97/77/59/1350977759.db2.gz UMSANQXKPBWMKB-UWVGGRQHSA-N -2 0 345.355 2.441 20 0 EEADRL CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C(F)(F)F ZINC001604949063 1351037258 /nfs/dbraw/zinc/03/72/58/1351037258.db2.gz YCGRXUBBMPUXMK-SVGQVSJJSA-N -2 0 346.352 2.097 20 0 EEADRL COC(=O)c1cc(NC(=O)[C@H](C(=O)[O-])C2CCCC2)cc(C(=O)[O-])c1 ZINC001606549612 1351321134 /nfs/dbraw/zinc/32/11/34/1351321134.db2.gz MFZCNIUDAXUZPQ-CYBMUJFWSA-N -2 0 349.339 2.001 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)ccc1F ZINC001607181142 1351444363 /nfs/dbraw/zinc/44/43/63/1351444363.db2.gz XSHYRXPBQWCGCF-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])cc1 ZINC001607405583 1351489129 /nfs/dbraw/zinc/48/91/29/1351489129.db2.gz SAZHJKUEGWJTCU-UPJWGTAASA-N -2 0 337.397 2.151 20 0 EEADRL C[C@H]1CN(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)C[C@]1(C)C(=O)[O-] ZINC001607471008 1351498910 /nfs/dbraw/zinc/49/89/10/1351498910.db2.gz RCLSFPARXSPAHN-HBMTUGDUSA-N -2 0 346.383 2.052 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)c1ccc(C)cc1C ZINC001607732063 1351548392 /nfs/dbraw/zinc/54/83/92/1351548392.db2.gz NXHJDPFLDANUBY-UHFFFAOYSA-N -2 0 337.353 2.022 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2nc(C3CC3)cs2)cc1C(=O)[O-] ZINC001607985322 1351597971 /nfs/dbraw/zinc/59/79/71/1351597971.db2.gz UWHUXTPBVOCBQB-UHFFFAOYSA-N -2 0 339.398 2.223 20 0 EEADRL Cc1ncccc1[N-]S(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC001607990019 1351599232 /nfs/dbraw/zinc/59/92/32/1351599232.db2.gz SUJUBBQMGDNLGZ-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL CCOC(=O)NC(=S)Nc1cc(S(=O)(=O)[O-])ccc1Cl ZINC001195492953 1368543862 /nfs/dbraw/zinc/54/38/62/1368543862.db2.gz SFXYGJAXULNUCV-UHFFFAOYSA-N -2 0 338.794 2.030 20 0 EEADRL O=S(=O)([O-])c1cccc([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000244366309 1405704775 /nfs/dbraw/zinc/70/47/75/1405704775.db2.gz XWOHGAOVBMFZPB-UHFFFAOYSA-N -2 0 349.336 2.012 20 0 EEADRL O=C([O-])CN(C1CCCC1)S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000906789299 784160162 /nfs/dbraw/zinc/16/01/62/784160162.db2.gz SLCZXJZEXQHFDM-UHFFFAOYSA-N -2 0 333.793 2.064 20 0 EEADRL Cc1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c(C)cc1Cl ZINC000910184376 786516988 /nfs/dbraw/zinc/51/69/88/786516988.db2.gz QAXFECOOQUAYEU-ZWNOBZJWSA-N -2 0 339.775 2.347 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc2ccccc2c1 ZINC000910185772 786517715 /nfs/dbraw/zinc/51/77/15/786517715.db2.gz LCSLEKRLNHLZAN-LSDHHAIUSA-N -2 0 327.336 2.230 20 0 EEADRL CC(C)Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1 ZINC000910186239 786518599 /nfs/dbraw/zinc/51/85/99/786518599.db2.gz OVXOXEWYPSGPKM-CABCVRRESA-N -2 0 333.384 2.275 20 0 EEADRL Cc1ccc(CCCC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])s1 ZINC000910190765 786522856 /nfs/dbraw/zinc/52/28/56/786522856.db2.gz DMTVZXZRZLJHHK-DGCLKSJQSA-N -2 0 339.413 2.156 20 0 EEADRL CS(C)(=O)=NS(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1[O-] ZINC000821191290 786630369 /nfs/dbraw/zinc/63/03/69/786630369.db2.gz MJNXWUYFCQXSQH-UHFFFAOYSA-N -2 0 333.218 2.083 20 0 EEADRL CCCn1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cn1 ZINC000156345523 789072489 /nfs/dbraw/zinc/07/24/89/789072489.db2.gz COOVZNVZJZVYGP-UHFFFAOYSA-N -2 0 337.401 2.409 20 0 EEADRL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-]Cc1cc(Cl)nc(Cl)c1 ZINC001180176108 800286217 /nfs/dbraw/zinc/28/62/17/800286217.db2.gz MHPHOHPXYVOHAV-UHFFFAOYSA-N -2 0 349.067 2.360 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2nc(C)ccc2C)cc1C(=O)[O-] ZINC001185270165 802429865 /nfs/dbraw/zinc/42/98/65/802429865.db2.gz ZAYOEQQZGHGAOK-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL O=C([O-])C1(c2noc(-c3[n-]cnc3C(=O)c3ccccc3)n2)CCC1 ZINC001595278285 949953146 /nfs/dbraw/zinc/95/31/46/949953146.db2.gz LXXBGOCKNBAWOA-UHFFFAOYSA-N -2 0 338.323 2.197 20 0 EEADRL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cccnc1 ZINC000386424186 972052925 /nfs/dbraw/zinc/05/29/25/972052925.db2.gz PUHFHESXWVKSAD-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL Cc1cncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC001195190162 960566624 /nfs/dbraw/zinc/56/66/24/960566624.db2.gz VLRNZJLZPDVJNP-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL CC(C)(C)c1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)o1 ZINC001260209034 960702908 /nfs/dbraw/zinc/70/29/08/960702908.db2.gz HTBPJBBNQDUIQC-UHFFFAOYSA-N -2 0 343.336 2.005 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)c1F ZINC000313205090 963623889 /nfs/dbraw/zinc/62/38/89/963623889.db2.gz GFSYZCLJSZRYTM-UHFFFAOYSA-N -2 0 339.344 2.398 20 0 EEADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000396398601 972875872 /nfs/dbraw/zinc/87/58/72/972875872.db2.gz WAWTWLJKPIULGO-SECBINFHSA-N -2 0 337.401 2.026 20 0 EEADRL CC(C)c1nc([N-]S(=O)(=O)c2ccns2)sc1C(=O)[O-] ZINC001592030413 976736213 /nfs/dbraw/zinc/73/62/13/976736213.db2.gz OYEQUVFLVURSPH-UHFFFAOYSA-N -2 0 333.416 2.222 20 0 EEADRL C[C@](CCF)(NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])C(=O)[O-] ZINC001592498565 978313137 /nfs/dbraw/zinc/31/31/37/978313137.db2.gz YXNSLMINUUGUKR-QGZVFWFLSA-N -2 0 349.314 2.397 20 0 EEADRL CC(F)(F)c1cccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])c1 ZINC001592944881 980024570 /nfs/dbraw/zinc/02/45/70/980024570.db2.gz SCLZHNWPVRYGCG-UHFFFAOYSA-N -2 0 331.300 2.020 20 0 EEADRL CC[C@@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001595434995 981061556 /nfs/dbraw/zinc/06/15/56/981061556.db2.gz DMJRULARJRIILD-RKDXNWHRSA-N -2 0 331.415 2.078 20 0 EEADRL CCC[C@@H]1CCC[C@H]1C(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001595621555 981700990 /nfs/dbraw/zinc/70/09/90/981700990.db2.gz KURSQXZPVXYVDT-ITMQWJFKSA-N -2 0 337.416 2.227 20 0 EEADRL CC[C@@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001594882849 982251224 /nfs/dbraw/zinc/25/12/24/982251224.db2.gz ZTVYLNCPEHAKHY-SFYZADRCSA-N -2 0 349.355 2.150 20 0 EEADRL CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cnc(C(=O)[O-])cn2)cc1 ZINC001595014620 982954700 /nfs/dbraw/zinc/95/47/00/982954700.db2.gz WLMUKNWFEQMFAK-JTQLQIEISA-N -2 0 335.385 2.489 20 0 EEADRL CCOC(=O)C(C)(C)ONC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001596512109 984284167 /nfs/dbraw/zinc/28/41/67/984284167.db2.gz GLCLKRLRNWHACU-UHFFFAOYSA-N -2 0 344.751 2.433 20 0 EEADRL CC(=O)Nc1ccc(S[C@@H](C)C(=O)[N-]OCCCC(=O)[O-])cc1 ZINC001589204140 985657380 /nfs/dbraw/zinc/65/73/80/985657380.db2.gz JWOGDMLBEHSJDH-JTQLQIEISA-N -2 0 340.401 2.038 20 0 EEADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(Oc2ccccc2)cc1 ZINC001589490740 987055966 /nfs/dbraw/zinc/05/59/66/987055966.db2.gz FJTVEKRIKYHFMA-LLVKDONJSA-N -2 0 349.364 2.012 20 0 EEADRL CCc1[nH]nc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)c1C ZINC001597400334 987662336 /nfs/dbraw/zinc/66/23/36/987662336.db2.gz ZWZVPUQVJDMXIM-UHFFFAOYSA-N -2 0 341.364 2.227 20 0 EEADRL CC(C)(C)CC[C@H](NS(=O)(=O)c1ccsc1C(=O)[O-])C(=O)[O-] ZINC001589766511 988113052 /nfs/dbraw/zinc/11/30/52/988113052.db2.gz HBIMXPVEYUDYTR-QMMMGPOBSA-N -2 0 349.430 2.004 20 0 EEADRL C[C@H](NC(=O)c1cccc(F)c1[O-])c1ccc(OCC(=O)[O-])cc1 ZINC001593175470 994045988 /nfs/dbraw/zinc/04/59/88/994045988.db2.gz NSCCRNBUAGCIJH-JTQLQIEISA-N -2 0 333.315 2.486 20 0 EEADRL C[C@@H](O[C@H](C)C(=O)Nc1cccc2cc(C(=O)[O-])sc21)C(=O)[O-] ZINC001593602863 995765529 /nfs/dbraw/zinc/76/55/29/995765529.db2.gz MAINNFGXIIXDDR-HTQZYQBOSA-N -2 0 337.353 2.416 20 0 EEADRL CC1(C)CCC[C@@](NS(=O)(=O)c2cc([O-])cc(F)c2)(C(=O)[O-])C1 ZINC001593899871 996766571 /nfs/dbraw/zinc/76/65/71/996766571.db2.gz VPMXASRWVWOHHF-HNNXBMFYSA-N -2 0 345.392 2.233 20 0 EEADRL COCc1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)s1 ZINC001599298133 997183141 /nfs/dbraw/zinc/18/31/41/997183141.db2.gz YHJHRSHPAKVZAW-UHFFFAOYSA-N -2 0 342.398 2.097 20 0 EEADRL CO[C@@H]1CCC[C@H]([C@@H](NC(=O)c2cccc(Cl)c2[O-])C(=O)[O-])C1 ZINC001599110764 997562979 /nfs/dbraw/zinc/56/29/79/997562979.db2.gz RJWURJBVYYFFAS-OPQQBVKSSA-N -2 0 341.791 2.434 20 0 EEADRL COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1csnc1C(=O)[O-] ZINC001599331604 997757872 /nfs/dbraw/zinc/75/78/72/997757872.db2.gz MGNJKZYSXVQAEL-UHFFFAOYSA-N -2 0 342.398 2.268 20 0 EEADRL Cc1cc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)ccc1F ZINC000073366754 216382032 /nfs/dbraw/zinc/38/20/32/216382032.db2.gz FGRWDJRXWAZJRV-UHFFFAOYSA-N -2 0 328.303 2.032 20 0 EEADRL CCn1nc(C)c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1C ZINC000267287671 256045516 /nfs/dbraw/zinc/04/55/16/256045516.db2.gz WXHXILSULLJGRB-UHFFFAOYSA-N -2 0 341.364 2.158 20 0 EEADRL CCn1cnc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)[O-])c1 ZINC000092890006 292222856 /nfs/dbraw/zinc/22/28/56/292222856.db2.gz RARVNHJGTGXCMB-UHFFFAOYSA-N -2 0 329.765 2.055 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc2c(cc1C)OCO2 ZINC000357708256 153297674 /nfs/dbraw/zinc/29/76/74/153297674.db2.gz OPIRKCMIWHSOFX-UHFFFAOYSA-N -2 0 339.325 2.124 20 0 EEADRL CC(C)(CCNC(=O)N=c1nc(-c2ccsc2)[n-]s1)C(=O)[O-] ZINC000424383618 278605222 /nfs/dbraw/zinc/60/52/22/278605222.db2.gz QDUFVHTVTMVEEY-UHFFFAOYSA-N -2 0 340.430 2.311 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)cc1F ZINC000322124338 311598067 /nfs/dbraw/zinc/59/80/67/311598067.db2.gz ANOMHDVETWVAKN-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL CCCC[C@H](NC(=O)c1nn(-c2ccccc2F)cc1[O-])C(=O)[O-] ZINC000577927390 320283695 /nfs/dbraw/zinc/28/36/95/320283695.db2.gz KSZVHKJHYMRAIW-NSHDSACASA-N -2 0 335.335 2.090 20 0 EEADRL O=C([O-])C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000388146734 323539195 /nfs/dbraw/zinc/53/91/95/323539195.db2.gz DKFNDNHVZVSXNL-CABZTGNLSA-N -2 0 333.356 2.277 20 0 EEADRL COc1ncccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000336864626 465058409 /nfs/dbraw/zinc/05/84/09/465058409.db2.gz KSEQEJKKJQAQAQ-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL CC[C@H](C)c1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cn1 ZINC000358490553 465154803 /nfs/dbraw/zinc/15/48/03/465154803.db2.gz BHAASVIDDBDOPO-QMMMGPOBSA-N -2 0 339.373 2.391 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cnc(C(C)C)nc1 ZINC000358505197 465164673 /nfs/dbraw/zinc/16/46/73/465164673.db2.gz UVYVSYLGXYYQEH-UHFFFAOYSA-N -2 0 335.385 2.407 20 0 EEADRL Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-] ZINC000013268117 462889198 /nfs/dbraw/zinc/88/91/98/462889198.db2.gz DNTLFFOCUDNZEW-UHFFFAOYSA-N -2 0 330.749 2.444 20 0 EEADRL Cc1cc2cc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[n-]3)ccc2[nH]1 ZINC000173903885 464328120 /nfs/dbraw/zinc/32/81/20/464328120.db2.gz VBJJACYMDZRNHN-UHFFFAOYSA-N -2 0 349.350 2.374 20 0 EEADRL COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)C1CC1 ZINC000554675254 468436840 /nfs/dbraw/zinc/43/68/40/468436840.db2.gz XOEMZZTWYPVMGW-AMIZOPFISA-N -2 0 347.820 2.126 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])cs1 ZINC000340328025 465995311 /nfs/dbraw/zinc/99/53/11/465995311.db2.gz APQJGWOQPHPRAK-UHFFFAOYSA-N -3 0 345.329 2.084 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2ccc3scnc3c2)cc1C(=O)[O-] ZINC000357542379 466117511 /nfs/dbraw/zinc/11/75/11/466117511.db2.gz MIXJKUHPWYWVCJ-UHFFFAOYSA-N -2 0 337.382 2.134 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3nccnc3c2)cs1 ZINC000316331128 466571184 /nfs/dbraw/zinc/57/11/84/466571184.db2.gz ZCMMYCHISLIBBM-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])nc1C ZINC000320546274 466611688 /nfs/dbraw/zinc/61/16/88/466611688.db2.gz LIMGNOOKVHUSQN-UHFFFAOYSA-N -2 0 337.401 2.327 20 0 EEADRL CCC(=O)c1ccc([O-])c([N-]S(=O)(=O)CCOCC2CC2)c1 ZINC000424070499 466971151 /nfs/dbraw/zinc/97/11/51/466971151.db2.gz SBXBFMVQUVSHMK-UHFFFAOYSA-N -2 0 327.402 2.153 20 0 EEADRL CC(C)C[C@H](CNC(=O)N=c1nc(-c2ccccc2)[n-]s1)C(=O)[O-] ZINC000424472754 467058037 /nfs/dbraw/zinc/05/80/37/467058037.db2.gz PNWHIAZFFOSNNJ-GFCCVEGCSA-N -2 0 348.428 2.495 20 0 EEADRL Cc1cc(C(=O)Nc2cc(Cl)ccc2O)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000436785626 467554188 /nfs/dbraw/zinc/55/41/88/467554188.db2.gz PKKOMVOQUOPGAV-UHFFFAOYSA-N -2 0 346.730 2.356 20 0 EEADRL CCC[C@@H](NC(=O)c1nn(-c2ccccc2CC)cc1[O-])C(=O)[O-] ZINC000647229974 470863163 /nfs/dbraw/zinc/86/31/63/470863163.db2.gz IOYDQCOPJBBHCA-GFCCVEGCSA-N -2 0 331.372 2.123 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)ccc1C(=O)[O-] ZINC000683926084 485688201 /nfs/dbraw/zinc/68/82/01/485688201.db2.gz HWXQTABHQUXCFH-UHFFFAOYSA-N -2 0 339.373 2.041 20 0 EEADRL Cc1cccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1O ZINC000677597556 486461444 /nfs/dbraw/zinc/46/14/44/486461444.db2.gz FOQNTLQTDGPROD-UHFFFAOYSA-N -2 0 326.312 2.011 20 0 EEADRL CCCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)cn1 ZINC000743262895 576015177 /nfs/dbraw/zinc/01/51/77/576015177.db2.gz CLTWCLBFSGZNSM-UHFFFAOYSA-N -2 0 329.403 2.162 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cnn(C)c2C2CC2)cc(C(=O)[O-])c1C ZINC000769867765 577586112 /nfs/dbraw/zinc/58/61/12/577586112.db2.gz HREKAJTZYWWRAZ-UHFFFAOYSA-N -2 0 349.412 2.413 20 0 EEADRL COc1cccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1F ZINC000770068872 577590013 /nfs/dbraw/zinc/59/00/13/577590013.db2.gz UGXRPEVZCNKPEB-UHFFFAOYSA-N -2 0 344.302 2.144 20 0 EEADRL Cc1noc(C)c1[N-]S(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000763279851 577718419 /nfs/dbraw/zinc/71/84/19/577718419.db2.gz OOKBXJJQCRMTPT-UHFFFAOYSA-N -2 0 328.321 2.238 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2ccc(C(=O)[O-])cc2)cc1 ZINC000738652548 578022945 /nfs/dbraw/zinc/02/29/45/578022945.db2.gz NLOYNGSSODRKJS-UHFFFAOYSA-N -2 0 347.392 2.131 20 0 EEADRL O=C([O-])Nc1ccc(NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)cc1 ZINC000738668252 578023302 /nfs/dbraw/zinc/02/33/02/578023302.db2.gz ZLCMMHASVIFKLH-UHFFFAOYSA-N -2 0 340.295 2.372 20 0 EEADRL O=C([O-])[C@H](CNC(=O)c1ccc([O-])c(Cl)c1)Cc1ccc(O)cc1 ZINC000739396094 578051975 /nfs/dbraw/zinc/05/19/75/578051975.db2.gz CHMWBFSXNZBMRA-LBPRGKRZSA-N -2 0 349.770 2.425 20 0 EEADRL CC(C)(C)c1nsc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n1 ZINC000736305236 578194463 /nfs/dbraw/zinc/19/44/63/578194463.db2.gz FOWJCQURKHYMPU-UHFFFAOYSA-N -2 0 341.414 2.335 20 0 EEADRL CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1CCCCC(=O)[O-] ZINC000736750415 578221823 /nfs/dbraw/zinc/22/18/23/578221823.db2.gz KLELZIJSOZFNRS-HNNXBMFYSA-N -2 0 332.356 2.366 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)o1 ZINC000320071445 599737275 /nfs/dbraw/zinc/73/72/75/599737275.db2.gz WFFZBNPLASSOIM-UHFFFAOYSA-N -2 0 334.309 2.434 20 0 EEADRL O=C([O-])c1ccc2c(c1)CN(C(=O)c1nn(-c3ccccc3)cc1[O-])C2 ZINC000833326299 600708464 /nfs/dbraw/zinc/70/84/64/600708464.db2.gz MTVUHLVVGGRGIA-UHFFFAOYSA-N -2 0 349.346 2.432 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c(C)s1 ZINC000832902789 601237745 /nfs/dbraw/zinc/23/77/45/601237745.db2.gz IIIHXFCHGABXQW-WDEREUQCSA-N -2 0 345.442 2.061 20 0 EEADRL CCC(CC)(NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-])C(=O)[O-] ZINC000828846083 601292274 /nfs/dbraw/zinc/29/22/74/601292274.db2.gz SESSNSXGPOQBHE-UHFFFAOYSA-N -2 0 349.362 2.399 20 0 EEADRL COc1ccc(C)nc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000832266298 601362822 /nfs/dbraw/zinc/36/28/22/601362822.db2.gz XYJUEPPKWODSML-POHAHGRESA-N -2 0 348.380 2.297 20 0 EEADRL O=C([O-])CCCc1csc([N-]S(=O)(=O)c2ccc(F)cc2)n1 ZINC000387903063 601772179 /nfs/dbraw/zinc/77/21/79/601772179.db2.gz STXGRICGFFYDFZ-UHFFFAOYSA-N -2 0 344.389 2.490 20 0 EEADRL C[C@]1(C(=O)[O-])CCN(C(=O)c2cccc(Br)c2[O-])C1 ZINC000828016717 602053310 /nfs/dbraw/zinc/05/33/10/602053310.db2.gz RWIFITLEQHHKCG-ZDUSSCGKSA-N -2 0 328.162 2.092 20 0 EEADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)cs1 ZINC000831348491 602114448 /nfs/dbraw/zinc/11/44/48/602114448.db2.gz UJORNYVUSBWLJO-UHFFFAOYSA-N -2 0 347.395 2.095 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2csnc2C(=O)[O-])c(F)cc1F ZINC000832904384 602155498 /nfs/dbraw/zinc/15/54/98/602155498.db2.gz KHSYSUNPXJSNMI-UHFFFAOYSA-N -2 0 334.325 2.229 20 0 EEADRL CCOc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)ccc1C ZINC000833660736 604688229 /nfs/dbraw/zinc/68/82/29/604688229.db2.gz SBMRACIKGKCRSO-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)s1 ZINC000833449101 604927687 /nfs/dbraw/zinc/92/76/87/604927687.db2.gz GZDJNQUUQVJTMC-UHFFFAOYSA-N -2 0 343.430 2.128 20 0 EEADRL CCc1nc([N-]S(=O)(=O)Cc2ccc(F)cc2)sc1C(=O)[O-] ZINC000833675716 604991640 /nfs/dbraw/zinc/99/16/40/604991640.db2.gz QMNMTHICUWUXMZ-UHFFFAOYSA-N -2 0 344.389 2.485 20 0 EEADRL CCc1nc(NC(=O)c2n[n-]c3ccccc3c2=O)sc1C(=O)[O-] ZINC000833675315 605008925 /nfs/dbraw/zinc/00/89/25/605008925.db2.gz LZYJQYUUVXUORP-UHFFFAOYSA-N -2 0 344.352 2.305 20 0 EEADRL COc1cc(O)cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1 ZINC000833728598 605597211 /nfs/dbraw/zinc/59/72/11/605597211.db2.gz IIORVQNJXWBYJL-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nnc(-c2ccco2)o1 ZINC001185871262 1278809071 /nfs/dbraw/zinc/80/90/71/1278809071.db2.gz OAYXADHPBQQKGI-UHFFFAOYSA-N -2 0 349.324 2.137 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn2cccc(F)c12 ZINC001185878750 1278847027 /nfs/dbraw/zinc/84/70/27/1278847027.db2.gz CLNCGIUPXDNSKW-UHFFFAOYSA-N -2 0 349.343 2.281 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cncs2)c(Cl)cc1F ZINC001193973952 1282800192 /nfs/dbraw/zinc/80/01/92/1282800192.db2.gz ZVYMYWQTZVBOFT-UHFFFAOYSA-N -2 0 336.753 2.435 20 0 EEADRL COc1cc(Cl)cnc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198747125 1285316480 /nfs/dbraw/zinc/31/64/80/1285316480.db2.gz SAPQPBBATBEXPY-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL Cc1cnn(CC2CC2)c1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198746281 1285316950 /nfs/dbraw/zinc/31/69/50/1285316950.db2.gz BGQNYPKAQIOGOV-UHFFFAOYSA-N -2 0 335.385 2.101 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2nc(C)cs2)cc1C(=O)[O-] ZINC000314284958 1298218308 /nfs/dbraw/zinc/21/83/08/1298218308.db2.gz BWIULIVBJSYZLL-UHFFFAOYSA-N -2 0 342.398 2.349 20 0 EEADRL CCOC(=O)[C@@H]1CC[C@@H](Oc2ccc(OP(=O)([O-])[O-])cc2)C1 ZINC001234337175 1304886078 /nfs/dbraw/zinc/88/60/78/1304886078.db2.gz XYMTVPHEQYJLIS-ZWNOBZJWSA-N -2 0 330.273 2.269 20 0 EEADRL Cc1cc(N2CCCC2)nc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242158674 1309622008 /nfs/dbraw/zinc/62/20/08/1309622008.db2.gz KPQIUSBGPJDLIL-UHFFFAOYSA-N -2 0 327.340 2.449 20 0 EEADRL CON(C)C(=O)c1cc(C)cnc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242160914 1309622857 /nfs/dbraw/zinc/62/28/57/1309622857.db2.gz QKPWEGHIGZQKIE-UHFFFAOYSA-N -2 0 344.323 2.087 20 0 EEADRL Cc1c(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc2c1NC(=O)CO2 ZINC001242164352 1309625368 /nfs/dbraw/zinc/62/53/68/1309625368.db2.gz KFPKPJIYOQIGAG-UHFFFAOYSA-N -2 0 327.292 2.389 20 0 EEADRL Cc1cnc2c(ccc(Cl)c2C(=O)NCCOP(=O)([O-])[O-])c1 ZINC001154462368 1317144410 /nfs/dbraw/zinc/14/44/10/1317144410.db2.gz IQKHFDAWCVIOON-UHFFFAOYSA-N -2 0 344.691 2.036 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)on1 ZINC001259212521 1319487449 /nfs/dbraw/zinc/48/74/49/1319487449.db2.gz PXKSVLCEAMQXQP-UHFFFAOYSA-N -2 0 334.712 2.275 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccnc2OC(F)F)c1 ZINC001260184286 1319818528 /nfs/dbraw/zinc/81/85/28/1319818528.db2.gz FGMIQLRZEZGKRN-UHFFFAOYSA-N -2 0 344.295 2.182 20 0 EEADRL O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC001608488327 1351703606 /nfs/dbraw/zinc/70/36/06/1351703606.db2.gz LZGNRSSDOYPDQQ-OLZOCXBDSA-N -2 0 347.346 2.090 20 0 EEADRL O=C([O-])c1ccc(Cl)cc1NC(=O)N1CCC(C(=O)[O-])CC1 ZINC001602361647 1350504054 /nfs/dbraw/zinc/50/40/54/1350504054.db2.gz TZCBPLUVODKZJR-UHFFFAOYSA-N -2 0 326.736 2.367 20 0 EEADRL CCCC[C@@](C)(F)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001605236169 1351112006 /nfs/dbraw/zinc/11/20/06/1351112006.db2.gz WONSXAUVJPWHER-GFCCVEGCSA-N -2 0 337.394 2.170 20 0 EEADRL O=C([O-])C1(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)CCC1 ZINC001608579552 1351719800 /nfs/dbraw/zinc/71/98/00/1351719800.db2.gz LYAWMGAJOXPPAQ-JTQLQIEISA-N -2 0 337.319 2.217 20 0 EEADRL O=C([O-])c1cc(NC(=O)N2CC[C@H](C(=O)[O-])C2)cc(Cl)c1F ZINC001608853974 1351779356 /nfs/dbraw/zinc/77/93/56/1351779356.db2.gz FSFQHHHSSSMDDB-LURJTMIESA-N -2 0 330.699 2.116 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2nc3ccsc3s2)c1 ZINC001608991038 1351809660 /nfs/dbraw/zinc/80/96/60/1351809660.db2.gz BALMGWBUFIGNSS-UHFFFAOYSA-N -2 0 330.368 2.450 20 0 EEADRL C[C@@H]1CCN(c2cc(C(F)(F)F)c(C(=O)[O-])cn2)C[C@H]1C(=O)[O-] ZINC001609862345 1352105611 /nfs/dbraw/zinc/10/56/11/1352105611.db2.gz LXLKFRLPRYYYTQ-VXNVDRBHSA-N -2 0 332.278 2.346 20 0 EEADRL CCc1[nH]c(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c(C)c1C(=O)[O-] ZINC001610053004 1352150962 /nfs/dbraw/zinc/15/09/62/1352150962.db2.gz OXWVJQDYEXYSET-UHTWSYAYSA-N -2 0 348.399 2.442 20 0 EEADRL COc1cc(F)c(F)cc1[N-]S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001610297332 1352201463 /nfs/dbraw/zinc/20/14/63/1352201463.db2.gz JDINCDFNEMXMSD-UHFFFAOYSA-N -2 0 349.355 2.360 20 0 EEADRL Cc1n[nH]c(C)c1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC001610550976 1352243564 /nfs/dbraw/zinc/24/35/64/1352243564.db2.gz QXYKMAIPOXATIO-UHFFFAOYSA-N -2 0 329.765 2.179 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2nc(C(C)(C)C)co2)cc1C(=O)[O-] ZINC001610587840 1352249984 /nfs/dbraw/zinc/24/99/84/1352249984.db2.gz VVUBTWKQZOBKLD-UHFFFAOYSA-N -2 0 328.346 2.373 20 0 EEADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2cccc3ccccc32)o1 ZINC001610822703 1352280914 /nfs/dbraw/zinc/28/09/14/1352280914.db2.gz UAXHHCHTAIUGGJ-UHFFFAOYSA-N -2 0 345.332 2.250 20 0 EEADRL O=C(N[C@@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1)c1cccc(F)c1[O-] ZINC001587162680 1348858780 /nfs/dbraw/zinc/85/87/80/1348858780.db2.gz UJBHTXLNEFXMQY-ZDUSSCGKSA-N -2 0 342.330 2.069 20 0 EEADRL Cc1cc(NS(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])ccc1C(=O)[O-] ZINC001600281564 1350009994 /nfs/dbraw/zinc/00/99/94/1350009994.db2.gz HXLNOLIOMWDLBC-OLZOCXBDSA-N -2 0 341.385 2.078 20 0 EEADRL Cc1ccc(C(=O)[O-])c(O)c1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC001600346159 1350024935 /nfs/dbraw/zinc/02/49/35/1350024935.db2.gz UVNVIDSNOOXDEG-UHFFFAOYSA-N -2 0 342.760 2.248 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2ccc(C(C)C)nc2)cc1C(=O)[O-] ZINC001600747767 1350127062 /nfs/dbraw/zinc/12/70/62/1350127062.db2.gz XFMKNLSULFGNAV-UHFFFAOYSA-N -2 0 335.385 2.407 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2cccc3ccncc32)cc1C(=O)[O-] ZINC001600747895 1350127069 /nfs/dbraw/zinc/12/70/69/1350127069.db2.gz XCLVZVDZTCDPQS-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL Cc1nn(CCC(=O)[O-])c(C)c1CNc1cccc(CC(=O)[O-])c1 ZINC001600786902 1350137613 /nfs/dbraw/zinc/13/76/13/1350137613.db2.gz KUVQDMFIUHCNRQ-UHFFFAOYSA-N -2 0 331.372 2.214 20 0 EEADRL Cc1oc(C(=O)[O-])cc1C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC001600824819 1350145188 /nfs/dbraw/zinc/14/51/88/1350145188.db2.gz WMNDOQRDDMLJLQ-UHFFFAOYSA-N -2 0 347.352 2.269 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(C)(C)C)no1 ZINC001600836847 1350148315 /nfs/dbraw/zinc/14/83/15/1350148315.db2.gz JMMKLALBWVKZAI-UHFFFAOYSA-N -2 0 328.346 2.373 20 0 EEADRL O=C(/C=C/c1ccsc1)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001601243729 1350239941 /nfs/dbraw/zinc/23/99/41/1350239941.db2.gz MMBWBVPNSQMCEG-OWOJBTEDSA-N -2 0 343.407 2.026 20 0 EEADRL O=C([O-])[C@@H]1CCN(C(=O)c2s[n-]c(=O)c2Cl)[C@H]2CCC[C@H]21 ZINC001601827257 1350374059 /nfs/dbraw/zinc/37/40/59/1350374059.db2.gz VGQPAGCKUJDBLF-RNJXMRFFSA-N -2 0 330.793 2.218 20 0 EEADRL O=C([O-])[C@@H]1c2ccccc2OCCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC001601870309 1350386149 /nfs/dbraw/zinc/38/61/49/1350386149.db2.gz DDONKHHUJGYZSQ-AWEZNQCLSA-N -2 0 349.289 2.331 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnoc2C2CC2)ccc1F ZINC001602297520 1350487667 /nfs/dbraw/zinc/48/76/67/1350487667.db2.gz PHLPOZNKADCVJL-UHFFFAOYSA-N -2 0 326.305 2.190 20 0 EEADRL CC(C)(C(=O)[O-])[C@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001603248402 1350670721 /nfs/dbraw/zinc/67/07/21/1350670721.db2.gz XOAJBVNZNZHTMB-ZIAGYGMSSA-N -2 0 348.399 2.345 20 0 EEADRL CC(C)c1ccc2occ(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])c2c1 ZINC001604004385 1350827243 /nfs/dbraw/zinc/82/72/43/1350827243.db2.gz NRZAVQCVGUYUQQ-VIFPVBQESA-N -2 0 339.369 2.089 20 0 EEADRL CC[C@@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001605163292 1351092449 /nfs/dbraw/zinc/09/24/49/1351092449.db2.gz KESYMVCRSSHZDH-TZMCWYRMSA-N -2 0 339.413 2.157 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cc(CO)ccc1C ZINC001607784645 1351558377 /nfs/dbraw/zinc/55/83/77/1351558377.db2.gz ZGJZNCGBYDFHFX-UHFFFAOYSA-N -2 0 341.410 2.356 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c(C(C)(C)C)n1 ZINC001608122241 1351629272 /nfs/dbraw/zinc/62/92/72/1351629272.db2.gz HFQGCKBOUGCTNT-UHFFFAOYSA-N -2 0 337.401 2.217 20 0 EEADRL O=C([O-])c1ccc(NS(=O)(=O)[N-]C(=O)CC2CCCCC2)cc1 ZINC001608295424 1351665624 /nfs/dbraw/zinc/66/56/24/1351665624.db2.gz KZQJIUWRSHXSPE-UHFFFAOYSA-N -2 0 340.401 2.128 20 0 EEADRL C[C@@H](C1CC1)N(C1CC1)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000906818183 784157259 /nfs/dbraw/zinc/15/72/59/784157259.db2.gz JCSBHFDVMSZHBZ-VIFPVBQESA-N -2 0 325.386 2.042 20 0 EEADRL Cc1cc(Cl)ccc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910181884 786514576 /nfs/dbraw/zinc/51/45/76/786514576.db2.gz DVOJHBZADLZMKX-JOYOIKCWSA-N -2 0 325.748 2.038 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)/C=C\c2ccc(Cl)cc2)C1 ZINC000910184094 786515421 /nfs/dbraw/zinc/51/54/21/786515421.db2.gz QTWAKBIKGPSSHD-DXXIITEXSA-N -2 0 337.759 2.130 20 0 EEADRL COC(=O)c1cc(C)cnc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176237063 798389872 /nfs/dbraw/zinc/38/98/72/798389872.db2.gz FKQRGHWKVPZVLM-UHFFFAOYSA-N -2 0 330.296 2.317 20 0 EEADRL O=C([O-])c1cc(Nc2ccc3[nH]c(=O)cnc3c2)cc(C(=O)[O-])c1 ZINC001176243171 798392716 /nfs/dbraw/zinc/39/27/16/798392716.db2.gz FGOUMHRXQPIIDH-UHFFFAOYSA-N -2 0 325.280 2.063 20 0 EEADRL CN(C)C(=O)Cc1ccccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176244086 798393182 /nfs/dbraw/zinc/39/31/82/798393182.db2.gz HIBAFBKJXNRSDP-UHFFFAOYSA-N -2 0 342.351 2.457 20 0 EEADRL COc1cc(F)ncc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184670833 802104478 /nfs/dbraw/zinc/10/44/78/802104478.db2.gz UKVGGCVWVRSVRE-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cccc3snnc32)cc1C(=O)[O-] ZINC001184699735 802133747 /nfs/dbraw/zinc/13/37/47/802133747.db2.gz ZYUKBLVXOULDND-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)no2)cc1C(=O)[O-] ZINC001185271528 802429860 /nfs/dbraw/zinc/42/98/60/802429860.db2.gz SEWHZOXKJWDHKC-UHFFFAOYSA-N -2 0 340.357 2.306 20 0 EEADRL COc1ccc2c(c1)C[C@@H](Nc1ccc(P(=O)([O-])[O-])cc1)CC2 ZINC001170417288 809954080 /nfs/dbraw/zinc/95/40/80/809954080.db2.gz NKSWJCRMTRZWED-HNNXBMFYSA-N -2 0 333.324 2.468 20 0 EEADRL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC000863955807 939244441 /nfs/dbraw/zinc/24/44/41/939244441.db2.gz YSJJOXVXLCZEOI-RISCZKNCSA-N -2 0 339.413 2.085 20 0 EEADRL O=C([O-])c1c2c(sc1[N-]S(=O)(=O)c1ccccc1)COCC2 ZINC000145737202 949351423 /nfs/dbraw/zinc/35/14/23/949351423.db2.gz SLCSSQUGCNIAPB-UHFFFAOYSA-N -2 0 339.394 2.320 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cn2)cc1Cl ZINC000386773119 951302933 /nfs/dbraw/zinc/30/29/33/951302933.db2.gz AXTOHYYCDBBFHM-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL O=C([O-])C1(CNC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])CCC1 ZINC001594743044 953373461 /nfs/dbraw/zinc/37/34/61/953373461.db2.gz PDTPGDDLZKOPID-UHFFFAOYSA-N -2 0 349.774 2.216 20 0 EEADRL C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cccc(Br)c1[O-] ZINC001589303002 953705189 /nfs/dbraw/zinc/70/51/89/953705189.db2.gz NLCLWKNPEQSBAY-RKDXNWHRSA-N -2 0 342.189 2.480 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)sc1C ZINC000385166090 971984606 /nfs/dbraw/zinc/98/46/06/971984606.db2.gz DALOOQTWJGBYFN-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL CC[C@H](CNC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])C(=O)[O-] ZINC001589547084 955204947 /nfs/dbraw/zinc/20/49/47/955204947.db2.gz WUUULRRBEATQBJ-SNVBAGLBSA-N -2 0 331.324 2.305 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)nc1 ZINC000041115297 957387671 /nfs/dbraw/zinc/38/76/71/957387671.db2.gz QFSABKMIXWLIME-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL Cc1cc(C(=O)[O-])cc(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)c1 ZINC001594288153 957793202 /nfs/dbraw/zinc/79/32/02/957793202.db2.gz AINWKENTWYHEHM-UHFFFAOYSA-N -2 0 339.307 2.289 20 0 EEADRL CC(C)c1nn(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000314156742 963718152 /nfs/dbraw/zinc/71/81/52/963718152.db2.gz GNTYMOWCNRDDSY-UHFFFAOYSA-N -2 0 329.403 2.104 20 0 EEADRL Cc1nc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)ccc2[nH]1 ZINC000314703905 963794133 /nfs/dbraw/zinc/79/41/33/963794133.db2.gz JZLVPTZWDLDFBL-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL C[C@@H]1CCCN(Cc2ncc(Br)cc2[O-])[C@H]1C(=O)[O-] ZINC001603414720 973098345 /nfs/dbraw/zinc/09/83/45/973098345.db2.gz FZIWPMNTWHTJTA-PRHODGIISA-N -2 0 329.194 2.235 20 0 EEADRL CCc1oncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000800844245 978848076 /nfs/dbraw/zinc/84/80/76/978848076.db2.gz QLCZBDVHUWQHJP-UHFFFAOYSA-N -2 0 330.749 2.389 20 0 EEADRL CC[C@@H](CC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C)C(C)C ZINC001595036709 979199011 /nfs/dbraw/zinc/19/90/11/979199011.db2.gz IXQBIUXJRVIKKL-JTQLQIEISA-N -2 0 331.390 2.163 20 0 EEADRL C[C@H](CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])s1)C(C)(C)C ZINC001592801012 979462677 /nfs/dbraw/zinc/46/26/77/979462677.db2.gz WCSLSCLAEYJKCJ-MRVPVSSYSA-N -2 0 333.431 2.188 20 0 EEADRL C[C@@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1ncc(C(=O)[O-])s1 ZINC001593014458 980255036 /nfs/dbraw/zinc/25/50/36/980255036.db2.gz KZKQBBGFGWVWMH-MRVPVSSYSA-N -2 0 326.374 2.054 20 0 EEADRL C[C@@H]1CN(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CC[C@H]1C(=O)[O-] ZINC001594478433 985504698 /nfs/dbraw/zinc/50/46/98/985504698.db2.gz BKKQICYSHJMNRL-BXKDBHETSA-N -2 0 338.335 2.027 20 0 EEADRL C[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)CC[C@@H]1C(=O)[O-] ZINC001594478990 985509937 /nfs/dbraw/zinc/50/99/37/985509937.db2.gz FJOZFAYGWIFVII-JQWIXIFHSA-N -2 0 349.387 2.025 20 0 EEADRL Cc1[nH]c(C(=O)[O-])cc1C(=O)CO[N-]C(=O)C(C)(C)c1ccccc1 ZINC001599960085 985765348 /nfs/dbraw/zinc/76/53/48/985765348.db2.gz FOYJGLMUVOFGHW-UHFFFAOYSA-N -2 0 344.367 2.230 20 0 EEADRL Cc1[nH]c(C(=O)[O-])cc1C([O-])=CS(=O)(=O)[C@H](C)c1cccs1 ZINC001599961277 985785888 /nfs/dbraw/zinc/78/58/88/985785888.db2.gz RROFCCWLWCATCG-SECBINFHSA-N -2 0 341.410 2.442 20 0 EEADRL C[C@H](C(=O)[O-])[C@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)c1ccccc1 ZINC001589462375 986917011 /nfs/dbraw/zinc/91/70/11/986917011.db2.gz OJJQUVYLKXEBSU-ZANVPECISA-N -2 0 341.323 2.120 20 0 EEADRL C[C@H](C(=O)[O-])c1cccc([N-]S(=O)(=O)c2cnc3n2CCCC3)c1 ZINC001589540039 987239197 /nfs/dbraw/zinc/23/91/97/987239197.db2.gz OETGHGYZBKGSFL-NSHDSACASA-N -2 0 349.412 2.208 20 0 EEADRL CCc1[nH]c(C(=O)N2CCC[C@@](CC)(C(=O)[O-])C2)c(C)c1C(=O)[O-] ZINC001597361743 987522786 /nfs/dbraw/zinc/52/27/86/987522786.db2.gz VSHWMZUMXWSFID-QGZVFWFLSA-N -2 0 336.388 2.301 20 0 EEADRL CC(C)(C(=O)[O-])n1cc([N-]S(=O)(=O)c2sccc2Cl)cn1 ZINC001589670794 987665097 /nfs/dbraw/zinc/66/50/97/987665097.db2.gz DTLSTBFLFHMQOE-UHFFFAOYSA-N -2 0 349.821 2.219 20 0 EEADRL CC(C)(C(=O)[O-])n1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC001589680603 987704779 /nfs/dbraw/zinc/70/47/79/987704779.db2.gz GIXZCXBFNLQKLM-UHFFFAOYSA-N -2 0 343.792 2.157 20 0 EEADRL CCc1ccc(NC(=O)NC2(C(=O)[O-])CCC(C(=O)[O-])CC2)cc1 ZINC001597546947 988254274 /nfs/dbraw/zinc/25/42/74/988254274.db2.gz NCJDEFGUAAZLCU-UHFFFAOYSA-N -2 0 334.372 2.469 20 0 EEADRL CCc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC001597562137 988304515 /nfs/dbraw/zinc/30/45/15/988304515.db2.gz PBHOCHNROSCKBQ-UHFFFAOYSA-N -2 0 333.365 2.066 20 0 EEADRL CSc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)n1 ZINC001599823474 988555389 /nfs/dbraw/zinc/55/53/89/988555389.db2.gz QJXJNIVXQJAZSY-UHFFFAOYSA-N -2 0 342.373 2.442 20 0 EEADRL CC(C)(C)c1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)o1 ZINC001590574628 990215483 /nfs/dbraw/zinc/21/54/83/990215483.db2.gz ISUJLPYBLAQUTE-UHFFFAOYSA-N -2 0 343.336 2.005 20 0 EEADRL CC(C)(CS(=O)(=O)[N-]c1ccn(C2CCCCC2)n1)C(=O)[O-] ZINC001590812477 990646768 /nfs/dbraw/zinc/64/67/68/990646768.db2.gz WFWRYOBFCAVJNT-UHFFFAOYSA-N -2 0 329.422 2.241 20 0 EEADRL CC(C)C[C@@H](CNC(=O)N1CCc2c(cccc2C(=O)[O-])C1)C(=O)[O-] ZINC001591149124 991887107 /nfs/dbraw/zinc/88/71/07/991887107.db2.gz AETNAHDGZIAAJB-ZDUSSCGKSA-N -2 0 348.399 2.199 20 0 EEADRL CC(C)CCCCC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001591236582 992118950 /nfs/dbraw/zinc/11/89/50/992118950.db2.gz LSRXYEFAAJKJHC-UHFFFAOYSA-N -2 0 333.431 2.468 20 0 EEADRL C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)[N-]OCCCC(=O)[O-] ZINC001593612888 995817554 /nfs/dbraw/zinc/81/75/54/995817554.db2.gz ANMYAHMVRFKYQS-SECBINFHSA-N -2 0 335.278 2.385 20 0 EEADRL C[C@@H](Sc1ccccc1C(=O)NCCC(C)(C)C(=O)[O-])C(=O)[O-] ZINC001593673123 996081512 /nfs/dbraw/zinc/08/15/12/996081512.db2.gz OKMMLDCVSLNZJF-SNVBAGLBSA-N -2 0 339.413 2.483 20 0 EEADRL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cccc(CC(=O)[O-])c1 ZINC001593713903 996225751 /nfs/dbraw/zinc/22/57/51/996225751.db2.gz QBBCYDYIOCLFQJ-LBPRGKRZSA-N -2 0 347.392 2.135 20 0 EEADRL COc1cc(F)cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c1 ZINC001599425471 997667927 /nfs/dbraw/zinc/66/79/27/997667927.db2.gz CPKHLQNFXFNXSD-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL C[C@H]1CCC[C@@H]1CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001594357772 999352441 /nfs/dbraw/zinc/35/24/41/999352441.db2.gz OTBHJGXVKPWYCB-SMDDNHRTSA-N -2 0 339.413 2.157 20 0 EEADRL C[C@H]1CCc2nc([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)sc2C1 ZINC001594451269 999650348 /nfs/dbraw/zinc/65/03/48/999650348.db2.gz YMMDWUPKZPSGSZ-ZETCQYMHSA-N -2 0 342.398 2.360 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc2n[nH]cc2c(C)c1 ZINC000346446596 161373103 /nfs/dbraw/zinc/37/31/03/161373103.db2.gz BCBGIIVXJOGVPL-UHFFFAOYSA-N -2 0 335.341 2.272 20 0 EEADRL O=C([O-])CCCCC[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000417426515 313511164 /nfs/dbraw/zinc/51/11/64/313511164.db2.gz HANCAPJRKCCTIN-UHFFFAOYSA-N -2 0 343.298 2.166 20 0 EEADRL COc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000433491215 314778904 /nfs/dbraw/zinc/77/89/04/314778904.db2.gz MODREEVOYCTEIQ-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL Cc1cscc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000439060613 315065847 /nfs/dbraw/zinc/06/58/47/315065847.db2.gz ZSWLMUJHFWAYME-UHFFFAOYSA-N -3 0 341.366 2.254 20 0 EEADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C2CC2)n(C)n1 ZINC000564694319 319101143 /nfs/dbraw/zinc/10/11/43/319101143.db2.gz WEOUAHOUKWWLEH-UHFFFAOYSA-N -2 0 341.414 2.166 20 0 EEADRL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000566311987 319273492 /nfs/dbraw/zinc/27/34/92/319273492.db2.gz JKACGARJSONIST-SECBINFHSA-N -2 0 341.763 2.396 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)cs1 ZINC000336868972 465061301 /nfs/dbraw/zinc/06/13/01/465061301.db2.gz XBZZUMWVOCPIAH-UHFFFAOYSA-N -2 0 349.393 2.433 20 0 EEADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1cnc(C)s1 ZINC000339412226 465251758 /nfs/dbraw/zinc/25/17/58/465251758.db2.gz YXVWDHVYDGMIQN-UHFFFAOYSA-N -2 0 346.361 2.098 20 0 EEADRL Cc1nc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)s1 ZINC000088545598 462635415 /nfs/dbraw/zinc/63/54/15/462635415.db2.gz LEHMKLGUJGHNPT-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL CCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cn1 ZINC000058245621 463559484 /nfs/dbraw/zinc/55/94/84/463559484.db2.gz AHJJVVYQXFYGIM-UHFFFAOYSA-N -2 0 347.755 2.195 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cn(C)nc1C(C)C ZINC000281149509 464351270 /nfs/dbraw/zinc/35/12/70/464351270.db2.gz OJHSJDHOQPZTFK-UHFFFAOYSA-N -2 0 337.401 2.351 20 0 EEADRL Cc1noc2ncc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3C)cc12 ZINC000342973681 465426136 /nfs/dbraw/zinc/42/61/36/465426136.db2.gz VXKJZJGYBJIADV-UHFFFAOYSA-N -2 0 347.352 2.339 20 0 EEADRL COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000357345033 465966229 /nfs/dbraw/zinc/96/62/29/465966229.db2.gz WXARGLDUCOKROZ-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL CC(C)(C)c1nc(=NC(=O)c2nn(-c3ccccc3)cc2[O-])s[n-]1 ZINC000362717720 465967992 /nfs/dbraw/zinc/96/79/92/465967992.db2.gz SKDVONBMEWWMQP-UHFFFAOYSA-N -2 0 343.412 2.401 20 0 EEADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000350278411 466446468 /nfs/dbraw/zinc/44/64/68/466446468.db2.gz LTBZBDIEYSEZLF-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL COC(=O)c1cccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000315663725 466563726 /nfs/dbraw/zinc/56/37/26/466563726.db2.gz DAKFSQIXPZWMJP-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000320444513 466610159 /nfs/dbraw/zinc/61/01/59/466610159.db2.gz WULXQEUMZUOMMB-UHFFFAOYSA-N -2 0 339.344 2.262 20 0 EEADRL CCC(=O)c1ccc([O-])c([N-]S(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000436604775 467546989 /nfs/dbraw/zinc/54/69/89/467546989.db2.gz KCJHVSRECZKIGF-GFCCVEGCSA-N -2 0 327.402 2.296 20 0 EEADRL CN(c1ccc(F)c(F)c1)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000530888373 468015451 /nfs/dbraw/zinc/01/54/51/468015451.db2.gz WFVRQQRIYAGETD-UHFFFAOYSA-N -2 0 343.307 2.194 20 0 EEADRL O=C([O-])c1ccc(NS(=O)(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000740155813 576364963 /nfs/dbraw/zinc/36/49/63/576364963.db2.gz UZNWYOZVAJTONX-UHFFFAOYSA-N -2 0 335.337 2.025 20 0 EEADRL O=C([O-])N1CCC(NC(=O)c2cccc(Br)c2[O-])CC1 ZINC000738487788 576490278 /nfs/dbraw/zinc/49/02/78/576490278.db2.gz XRBBFHFFSPNHSL-UHFFFAOYSA-N -2 0 343.177 2.027 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)c(O)c1 ZINC000761950038 577692213 /nfs/dbraw/zinc/69/22/13/577692213.db2.gz LUCBZWALTJUETK-UHFFFAOYSA-N -2 0 346.723 2.079 20 0 EEADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000742233962 577869190 /nfs/dbraw/zinc/86/91/90/577869190.db2.gz RQMIWOLZTRLYHT-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)Nc1ccc(-c2ncon2)cc1 ZINC000740242277 578087139 /nfs/dbraw/zinc/08/71/39/578087139.db2.gz STGGJZWFBOBSKD-UHFFFAOYSA-N -2 0 345.336 2.236 20 0 EEADRL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1cccs1 ZINC000736215715 578188623 /nfs/dbraw/zinc/18/86/23/578188623.db2.gz LSCQOGLGCHEWFZ-ZETCQYMHSA-N -2 0 345.423 2.116 20 0 EEADRL CC1=C(C(=O)[O-])[C@@H](c2cccs2)NC(=O)N1CCCCC(=O)[O-] ZINC000736749480 578221733 /nfs/dbraw/zinc/22/17/33/578221733.db2.gz CCLNOPIPLHGHTJ-CYBMUJFWSA-N -2 0 338.385 2.428 20 0 EEADRL COCc1csc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])n1 ZINC000737834523 578247648 /nfs/dbraw/zinc/24/76/48/578247648.db2.gz FBSPMDCPHYLYRB-UHFFFAOYSA-N -2 0 342.398 2.097 20 0 EEADRL COc1c(C)cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)cc1C ZINC000831847050 600983240 /nfs/dbraw/zinc/98/32/40/600983240.db2.gz JCWFFQDBISENFY-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnoc2)c(Cl)cc1Cl ZINC000061685385 601328173 /nfs/dbraw/zinc/32/81/73/601328173.db2.gz SJCXKVYTGOBNRJ-UHFFFAOYSA-N -2 0 337.140 2.480 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])sc1C ZINC000833002547 601847653 /nfs/dbraw/zinc/84/76/53/601847653.db2.gz BVNUUJUJZDYEFG-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1nnc(C2CC2)s1 ZINC000833295029 601848151 /nfs/dbraw/zinc/84/81/51/601848151.db2.gz WMDFAQPOWHGDMV-UHFFFAOYSA-N -2 0 343.361 2.054 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2nnc(CCCC(=O)[O-])s2)s1 ZINC000832956696 602105795 /nfs/dbraw/zinc/10/57/95/602105795.db2.gz UBGSOTMNDWBRSE-UHFFFAOYSA-N -2 0 347.443 2.116 20 0 EEADRL COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)c1 ZINC000832439280 602115853 /nfs/dbraw/zinc/11/58/53/602115853.db2.gz OXVQRQOUBZETKE-UHFFFAOYSA-N -2 0 343.382 2.264 20 0 EEADRL CC(C)(C)n1cc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])cn1 ZINC000833452328 604744644 /nfs/dbraw/zinc/74/46/44/604744644.db2.gz XJSIKJFVSPGXIU-UHFFFAOYSA-N -2 0 341.364 2.276 20 0 EEADRL O=C([O-])C1CCC(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)CC1 ZINC000833772295 605118202 /nfs/dbraw/zinc/11/82/02/605118202.db2.gz PKDKHILBJUJPSX-UHFFFAOYSA-N -2 0 345.804 2.036 20 0 EEADRL CC(C)[C@]1(C)C[C@H]1C(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000188256234 684622929 /nfs/dbraw/zinc/62/29/29/684622929.db2.gz AUXBBCNWOIQWGC-UGSOOPFHSA-N -2 0 342.399 2.021 20 0 EEADRL CC(C)c1cccc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1 ZINC000863956263 1197936080 /nfs/dbraw/zinc/93/60/80/1197936080.db2.gz LUAMIPBGXQUTDP-ZDUSSCGKSA-N -2 0 341.429 2.362 20 0 EEADRL O=Cc1ccc(-c2ccc(C(=O)N3CCC(C(=O)[O-])CC3)c([O-])c2)o1 ZINC000874963425 1199087894 /nfs/dbraw/zinc/08/78/94/1199087894.db2.gz VKHPEMKAEXPDOW-UHFFFAOYSA-N -2 0 343.335 2.402 20 0 EEADRL CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1cc(F)cc(F)c1[O-] ZINC000882745012 1201932062 /nfs/dbraw/zinc/93/20/62/1201932062.db2.gz ZZQAQEPHXNOACG-LLVKDONJSA-N -2 0 337.344 2.144 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c([C@@H](C)O)c1 ZINC000795386154 1212028327 /nfs/dbraw/zinc/02/83/27/1212028327.db2.gz DBHGATLYLMBAMO-SSDOTTSWSA-N -2 0 343.332 2.279 20 0 EEADRL CCc1cnc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cn1 ZINC001188276761 1279825359 /nfs/dbraw/zinc/82/53/59/1279825359.db2.gz IFLULSFEQFFGBN-UHFFFAOYSA-N -2 0 341.776 2.191 20 0 EEADRL CC[C@@H](C)C[C@H](C)NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189932559 1280583073 /nfs/dbraw/zinc/58/30/73/1280583073.db2.gz DBZUBAZZQFQXTB-ZJUUUORDSA-N -2 0 343.401 2.186 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cn(CC2CCC2)cn1 ZINC001198746592 1285316520 /nfs/dbraw/zinc/31/65/20/1285316520.db2.gz FZPIHULDSYVZOW-UHFFFAOYSA-N -2 0 335.385 2.182 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2sccc2C#N)cc1C(=O)[O-] ZINC000314420906 1298243241 /nfs/dbraw/zinc/24/32/41/1298243241.db2.gz FBJQWZUSIIUFAK-UHFFFAOYSA-N -2 0 338.366 2.127 20 0 EEADRL O=C1[N-]S(=O)(=O)c2cc(-c3cc(F)c([O-])c(Cl)c3)ccc21 ZINC001244502181 1309952986 /nfs/dbraw/zinc/95/29/86/1309952986.db2.gz IVDMTIWTADRWPI-UHFFFAOYSA-N -2 0 327.720 2.284 20 0 EEADRL COc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260223188 1319836457 /nfs/dbraw/zinc/83/64/57/1319836457.db2.gz HKSKGFCQTJUQIY-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL O=S(=O)([O-])c1ccc([O-])c(-c2nnc(Cc3ccccc3)o2)c1 ZINC001253489212 1317871680 /nfs/dbraw/zinc/87/16/80/1317871680.db2.gz MVHQBEBPBUCIBQ-UHFFFAOYSA-N -2 0 332.337 2.280 20 0 EEADRL COc1cccc(OC)c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260189317 1319819304 /nfs/dbraw/zinc/81/93/04/1319819304.db2.gz SFIRVVHHANJUAN-UHFFFAOYSA-N -2 0 337.353 2.203 20 0 EEADRL O=C([O-])c1ccc(NC(=O)C(=O)[N-]OC2CCCCC2)cc1Cl ZINC001608484055 1351702601 /nfs/dbraw/zinc/70/26/01/1351702601.db2.gz CZIPNGJEFBETMY-UHFFFAOYSA-N -2 0 340.763 2.357 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)C2CCCCCC2)oc1C(=O)[O-] ZINC001600297497 1350014230 /nfs/dbraw/zinc/01/42/30/1350014230.db2.gz QSGVRKRVBIXHRG-UHFFFAOYSA-N -2 0 329.374 2.062 20 0 EEADRL Nc1c([N-]S(=O)(=O)c2c[nH]c(C(F)(F)F)c2)cccc1C(=O)[O-] ZINC001601210028 1350231985 /nfs/dbraw/zinc/23/19/85/1350231985.db2.gz XTBJAMXDJGSEHR-UHFFFAOYSA-N -2 0 349.290 2.115 20 0 EEADRL CCCCCCC(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001605261833 1351118480 /nfs/dbraw/zinc/11/84/80/1351118480.db2.gz LPAAORKZCVSQHK-UHFFFAOYSA-N -2 0 349.355 2.438 20 0 EEADRL O=C([O-])[C@@H]1CCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H](C(=O)[O-])C1 ZINC001608632420 1351730124 /nfs/dbraw/zinc/73/01/24/1351730124.db2.gz SGDJENFJJCBGHG-RDDDGLTNSA-N -2 0 344.726 2.261 20 0 EEADRL O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)[O-])co1 ZINC001608705412 1351745247 /nfs/dbraw/zinc/74/52/47/1351745247.db2.gz LPDIUMYJHXBKML-CYBMUJFWSA-N -2 0 331.324 2.184 20 0 EEADRL O=C([O-])CCCc1nnc(NC(=O)c2cc3ccc[nH]c-3n2)s1 ZINC001608720067 1351748639 /nfs/dbraw/zinc/74/86/39/1351748639.db2.gz JFGUAQZEWHLJMG-UHFFFAOYSA-N -2 0 331.357 2.074 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc3c2OCCO3)s1 ZINC001608905346 1351790894 /nfs/dbraw/zinc/79/08/94/1351790894.db2.gz RWHMQGFUMUSFOK-UHFFFAOYSA-N -2 0 341.366 2.018 20 0 EEADRL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)F ZINC001609005463 1351812299 /nfs/dbraw/zinc/81/22/99/1351812299.db2.gz QEKUCFNFBJZJBE-VIFPVBQESA-N -2 0 348.352 2.126 20 0 EEADRL CC(C)n1cnc(S(=O)(=O)[N-]c2ccc([C@H](C)C(=O)[O-])cc2)c1 ZINC001609643189 1352048912 /nfs/dbraw/zinc/04/89/12/1352048912.db2.gz DNASQFKSGGVWFJ-NSHDSACASA-N -2 0 337.401 2.453 20 0 EEADRL C[C@H](CN(C)C(=O)Nc1cccc(CSCC(=O)[O-])c1)C(=O)[O-] ZINC001609741233 1352074313 /nfs/dbraw/zinc/07/43/13/1352074313.db2.gz CLTBHTGLPXQGCG-SNVBAGLBSA-N -2 0 340.401 2.189 20 0 EEADRL C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C[C@H]1C ZINC001609846415 1352099686 /nfs/dbraw/zinc/09/96/86/1352099686.db2.gz YPVMCNPILLBWIZ-UTUOFQBUSA-N -2 0 339.413 2.262 20 0 EEADRL CCc1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)no1 ZINC001610072287 1352155542 /nfs/dbraw/zinc/15/55/42/1352155542.db2.gz JBULPAIEHDKBRD-UHFFFAOYSA-N -2 0 345.764 2.093 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1OC ZINC001610076531 1352156846 /nfs/dbraw/zinc/15/68/46/1352156846.db2.gz AEHLCEGQCWXHLK-UHFFFAOYSA-N -2 0 343.332 2.489 20 0 EEADRL CN(C(=O)CSc1n[n-]c(=S)s1)C1(C(=O)[O-])CCCCC1 ZINC001610091871 1352160128 /nfs/dbraw/zinc/16/01/28/1352160128.db2.gz VAKMWHJZJWCIIY-UHFFFAOYSA-N -2 0 347.487 2.165 20 0 EEADRL COC(=O)c1cc([N-]S(=O)(=O)c2ccsc2)ccc1C(=O)[O-] ZINC001610203596 1352185160 /nfs/dbraw/zinc/18/51/60/1352185160.db2.gz UWGOYJWFZNFXCU-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])nc3)cc2s1 ZINC001610560776 1352245011 /nfs/dbraw/zinc/24/50/11/1352245011.db2.gz RQNFMKFWQGUIQD-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL Cc1ncc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c(C2CC2)n1 ZINC001610563377 1352245699 /nfs/dbraw/zinc/24/56/99/1352245699.db2.gz VYLBJCJZPNLTBV-UHFFFAOYSA-N -2 0 347.396 2.090 20 0 EEADRL Cc1sc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC001610589926 1352250220 /nfs/dbraw/zinc/25/02/20/1352250220.db2.gz KWESCLRCVNOOMD-UHFFFAOYSA-N -2 0 329.403 2.333 20 0 EEADRL O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)C1 ZINC001610741560 1352267392 /nfs/dbraw/zinc/26/73/92/1352267392.db2.gz WVDYPQGMSIPKLS-MNOVXSKESA-N -2 0 330.344 2.007 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC3CCC2CC3)c1 ZINC001610849761 1352285126 /nfs/dbraw/zinc/28/51/26/1352285126.db2.gz JFAQKPVOTYDVQK-QIMFLAQGSA-N -2 0 337.397 2.016 20 0 EEADRL O=C([O-])c1cncc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)c1 ZINC001610863740 1352287386 /nfs/dbraw/zinc/28/73/86/1352287386.db2.gz GCCICTDHMVBKJY-UHFFFAOYSA-N -2 0 345.336 2.236 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cnn(C(C)C)c2)ccc(F)c1C(=O)[O-] ZINC001600054593 1349962686 /nfs/dbraw/zinc/96/26/86/1349962686.db2.gz LFMAAIWFPXRZCY-UHFFFAOYSA-N -2 0 341.364 2.411 20 0 EEADRL Cc1ccccc1[C@H](C)CC(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-] ZINC001600568545 1350085325 /nfs/dbraw/zinc/08/53/25/1350085325.db2.gz MUBRNNRRTLDSOT-JHJVBQTASA-N -2 0 341.429 2.044 20 0 EEADRL Cc1cnn(CC2CC2)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001600637141 1350103865 /nfs/dbraw/zinc/10/38/65/1350103865.db2.gz XNHMXVGHCGLRBQ-UHFFFAOYSA-N -2 0 341.414 2.162 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCC(C)(C)C1 ZINC001600834603 1350147593 /nfs/dbraw/zinc/14/75/93/1350147593.db2.gz XZGBMSHVZZAZJE-SNVBAGLBSA-N -2 0 343.401 2.308 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)Nc2cccc(Cl)c2)C1 ZINC001601791776 1350365034 /nfs/dbraw/zinc/36/50/34/1350365034.db2.gz BMSFEAWKYPXPEE-KWQFWETISA-N -2 0 326.736 2.122 20 0 EEADRL O=C([O-])[C@@H]1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)[C@H]2CCCC[C@H]12 ZINC001601827845 1350374803 /nfs/dbraw/zinc/37/48/03/1350374803.db2.gz QYGPLPAFKHVZOE-FOGDFJRCSA-N -2 0 345.355 2.034 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnoc2C2CC2)cc(F)c1F ZINC001602297405 1350487562 /nfs/dbraw/zinc/48/75/62/1350487562.db2.gz AIBVAZJYAFRJRJ-UHFFFAOYSA-N -2 0 344.295 2.329 20 0 EEADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)CCC2CCCC2)s1 ZINC001602324332 1350494268 /nfs/dbraw/zinc/49/42/68/1350494268.db2.gz IPWXMSPOOBTKFM-UHFFFAOYSA-N -2 0 331.415 2.086 20 0 EEADRL O=C([O-])c1cnc([C@@H]2CCCN(c3cccc(C(=O)[O-])n3)C2)s1 ZINC001602442269 1350520275 /nfs/dbraw/zinc/52/02/75/1350520275.db2.gz FDHHDSXSEBJWRA-SECBINFHSA-N -2 0 333.369 2.319 20 0 EEADRL O=C([O-])c1cnc(CCNC(=O)c2cc(F)cc(Cl)c2[O-])s1 ZINC001602516856 1350536450 /nfs/dbraw/zinc/53/64/50/1350536450.db2.gz VBZICTFSBMBPAK-UHFFFAOYSA-N -2 0 344.751 2.312 20 0 EEADRL O=C([O-])C12CCC(CC1)N2C(=O)c1cnc2c(Cl)cccc2c1O ZINC001602629323 1350561556 /nfs/dbraw/zinc/56/15/56/1350561556.db2.gz BXXUKQXECDIDES-UHFFFAOYSA-N -2 0 346.770 2.403 20 0 EEADRL CC(=O)c1c(F)cccc1N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001603098384 1350639465 /nfs/dbraw/zinc/63/94/65/1350639465.db2.gz GZSKUZHCCMYRIO-GCULGPDHSA-N -2 0 335.331 2.030 20 0 EEADRL CC(C)Cc1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])cc1 ZINC001603848129 1350781977 /nfs/dbraw/zinc/78/19/77/1350781977.db2.gz ZHLUSMPHBPHXPC-NEPJUHHUSA-N -2 0 341.429 2.054 20 0 EEADRL CCC(CC)(CNC(=O)N1CCc2ccc(C(=O)[O-])cc2C1)C(=O)[O-] ZINC001604997293 1351049024 /nfs/dbraw/zinc/04/90/24/1351049024.db2.gz BAYOHYNFZIBASM-UHFFFAOYSA-N -2 0 348.399 2.344 20 0 EEADRL CCCc1cc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])n(C)n1 ZINC001605373417 1351147683 /nfs/dbraw/zinc/14/76/83/1351147683.db2.gz VONUHKMPEZRQIC-UHFFFAOYSA-N -2 0 341.389 2.081 20 0 EEADRL COc1ccc(CNC(=O)c2s[n-]c(=O)c2Cl)cc1C(=O)[O-] ZINC001607258948 1351460456 /nfs/dbraw/zinc/46/04/56/1351460456.db2.gz JPDYCXCEYXBMQH-UHFFFAOYSA-N -2 0 342.760 2.139 20 0 EEADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)c1cccs1 ZINC001607488342 1351502447 /nfs/dbraw/zinc/50/24/47/1351502447.db2.gz YOWGTIZZJKTDMT-SECBINFHSA-N -2 0 341.410 2.436 20 0 EEADRL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001607656760 1351534319 /nfs/dbraw/zinc/53/43/19/1351534319.db2.gz GYJKILSROOKUCN-UHFFFAOYSA-N -2 0 341.776 2.246 20 0 EEADRL Cc1ccnc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c1C1CC1 ZINC001607895489 1351581142 /nfs/dbraw/zinc/58/11/42/1351581142.db2.gz RYADQVZLLKRIMT-UHFFFAOYSA-N -2 0 339.398 2.223 20 0 EEADRL Cc1cnc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])nc1 ZINC001607910797 1351584410 /nfs/dbraw/zinc/58/44/10/1351584410.db2.gz YDMHOPGOYAKIGT-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]C(=O)CCC2CCCCC2)c1 ZINC001608300044 1351666795 /nfs/dbraw/zinc/66/67/95/1351666795.db2.gz CKVFSCOGYFJWCU-UHFFFAOYSA-N -2 0 329.374 2.143 20 0 EEADRL N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000322102713 1409862293 /nfs/dbraw/zinc/86/22/93/1409862293.db2.gz JNADKJDFAJKMRU-UHFFFAOYSA-N -2 0 338.291 2.335 20 0 EEADRL COc1ccc(C)c(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1 ZINC000323979334 1409867103 /nfs/dbraw/zinc/86/71/03/1409867103.db2.gz DWXDYEKTZCZVDC-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL Cc1c(Cl)nc(-c2ccccn2)nc1NCCOP(=O)([O-])[O-] ZINC001168589302 790631139 /nfs/dbraw/zinc/63/11/39/790631139.db2.gz FZKOFXPPLIIMFY-UHFFFAOYSA-N -2 0 344.695 2.022 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cccc(Cl)c2Cl)C1 ZINC000910184826 786516934 /nfs/dbraw/zinc/51/69/34/786516934.db2.gz FVMPMJLFSRGEIQ-GMSGAONNSA-N -2 0 346.166 2.383 20 0 EEADRL CC(C)(C)c1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1 ZINC000910185354 786517939 /nfs/dbraw/zinc/51/79/39/786517939.db2.gz IAZBUJUREBASRF-OCCSQVGLSA-N -2 0 333.384 2.374 20 0 EEADRL CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1cc(C(C)=O)ccc1[O-] ZINC000844660546 789284133 /nfs/dbraw/zinc/28/41/33/789284133.db2.gz RCCYLBMGYHVFOL-CQSZACIVSA-N -2 0 343.401 2.068 20 0 EEADRL Cc1ccc(F)cc1NC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148915412 792783172 /nfs/dbraw/zinc/78/31/72/792783172.db2.gz PRLKKZGCQDISIE-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL CN1Cc2cccc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2C1=O ZINC001176245029 798393013 /nfs/dbraw/zinc/39/30/13/798393013.db2.gz QONJIELQYSGULE-UHFFFAOYSA-N -2 0 326.308 2.412 20 0 EEADRL CC(C)([N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-])c1cc(Cl)ccn1 ZINC001180180206 800288624 /nfs/dbraw/zinc/28/86/24/800288624.db2.gz LYXARIATDNFOEK-UHFFFAOYSA-N -2 0 342.676 2.442 20 0 EEADRL COC(=O)c1ccc(O)cc1[N-]S(=O)(=O)c1cccnc1Cl ZINC001184879745 802244485 /nfs/dbraw/zinc/24/44/85/802244485.db2.gz AAIBSSSWSHPNBP-UHFFFAOYSA-N -2 0 342.760 2.028 20 0 EEADRL CCCc1cc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)on1 ZINC001185270930 802429786 /nfs/dbraw/zinc/42/97/86/802429786.db2.gz HBDLJPLNMHDUBL-UHFFFAOYSA-N -2 0 340.357 2.135 20 0 EEADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C(C)=O)c1 ZINC000325956778 971257539 /nfs/dbraw/zinc/25/75/39/971257539.db2.gz NXTHEZSPZGQWEG-UHFFFAOYSA-N -2 0 349.364 2.397 20 0 EEADRL O=C([O-])[C@@H]1CCCN(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1 ZINC001595164993 952208436 /nfs/dbraw/zinc/20/84/36/952208436.db2.gz BKGMDMWYLZPFPU-SNVBAGLBSA-N -2 0 349.774 2.168 20 0 EEADRL O=C([O-])[C@@H]1CN(C(=O)c2cccc(F)c2[O-])C[C@H]1c1ccccc1 ZINC001595190165 952277065 /nfs/dbraw/zinc/27/70/65/952277065.db2.gz HRCFVLZXYYGVEY-UONOGXRCSA-N -2 0 329.327 2.472 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ncccc2Cl)c1C(=O)[O-] ZINC000231768697 960204593 /nfs/dbraw/zinc/20/45/93/960204593.db2.gz DLRRNBOHPWCSFH-UHFFFAOYSA-N -2 0 330.749 2.444 20 0 EEADRL COc1cc(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000314075029 963708202 /nfs/dbraw/zinc/70/82/02/963708202.db2.gz VIEDDRUYMFWOIL-UHFFFAOYSA-N -2 0 331.346 2.395 20 0 EEADRL CC(C)OCCS(=O)(=O)[N-]c1cc(C(=O)[O-])cc2cccnc21 ZINC001591727079 975693444 /nfs/dbraw/zinc/69/34/44/975693444.db2.gz VZUFMNCKKUMFEN-UHFFFAOYSA-N -2 0 338.385 2.100 20 0 EEADRL C[C@@](CC(=O)[O-])(NC(=O)c1cc(F)c([O-])c(F)c1)c1ccccn1 ZINC001592303250 977655031 /nfs/dbraw/zinc/65/50/31/977655031.db2.gz IZDGBSNBZPOFHZ-INIZCTEOSA-N -2 0 336.294 2.185 20 0 EEADRL C[C@@H](CN(C(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C1CC1)C(=O)[O-] ZINC001592564133 978458074 /nfs/dbraw/zinc/45/80/74/978458074.db2.gz TUUKSABVGONTLF-JTQLQIEISA-N -2 0 347.346 2.042 20 0 EEADRL CC1(C)C(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1(C)C ZINC000828046222 978968123 /nfs/dbraw/zinc/96/81/23/978968123.db2.gz QEERDHLEYFSCEV-UHFFFAOYSA-N -2 0 339.413 2.013 20 0 EEADRL C[C@H](CNC(=O)Nc1cccc(CSCCC(=O)[O-])c1)C(=O)[O-] ZINC001592682631 979104908 /nfs/dbraw/zinc/10/49/08/979104908.db2.gz DRZASNJDQVJWDS-SNVBAGLBSA-N -2 0 340.401 2.237 20 0 EEADRL CC[C@]1(C(=O)[N-]OCCCC(=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC001595366346 980814411 /nfs/dbraw/zinc/81/44/11/980814411.db2.gz DXKISIHZEWJRHW-MRXNPFEDSA-N -2 0 344.408 2.079 20 0 EEADRL CCC1CCC(NC(=O)c2ccc(OCC(=O)[O-])cc2)(C(=O)[O-])CC1 ZINC001595424924 981044168 /nfs/dbraw/zinc/04/41/68/981044168.db2.gz VOSHZGBYOOBHET-UHFFFAOYSA-N -2 0 349.383 2.303 20 0 EEADRL CC[C@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001595436153 981068190 /nfs/dbraw/zinc/06/81/90/981068190.db2.gz PGHNHBACUHOODP-DTWKUNHWSA-N -2 0 331.415 2.078 20 0 EEADRL CCCc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)n(C)n1 ZINC001596058130 983364906 /nfs/dbraw/zinc/36/49/06/983364906.db2.gz GZQXUYSFNFUAJB-UHFFFAOYSA-N -2 0 337.401 2.180 20 0 EEADRL CC(C)(C)[C@@H](C(=O)[O-])C(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC001589698392 987779675 /nfs/dbraw/zinc/77/96/75/987779675.db2.gz BCKPTIXEYAMACT-GFCCVEGCSA-N -2 0 334.372 2.020 20 0 EEADRL CCc1ccc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)s1 ZINC001597501150 988066177 /nfs/dbraw/zinc/06/61/77/988066177.db2.gz VQWTWWMJTIIBCP-UHFFFAOYSA-N -2 0 343.382 2.029 20 0 EEADRL CCc1nn(C)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC001597722879 989002828 /nfs/dbraw/zinc/00/28/28/989002828.db2.gz AMNORFIJLPTVOF-UHFFFAOYSA-N -2 0 343.792 2.135 20 0 EEADRL CC(C)=CCC[C@H](C)CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001590922388 990919310 /nfs/dbraw/zinc/91/93/10/990919310.db2.gz WWVFTPJHBAGOHR-LBPRGKRZSA-N -2 0 333.450 2.316 20 0 EEADRL C[C@]1(C(=O)[O-])CCCN(C(=O)c2cccc(Br)c2[O-])C1 ZINC001593773149 996470598 /nfs/dbraw/zinc/47/05/98/996470598.db2.gz SCDKNHZVKFDGNJ-AWEZNQCLSA-N -2 0 342.189 2.482 20 0 EEADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)n[nH]2)o1 ZINC000446631355 242205474 /nfs/dbraw/zinc/20/54/74/242205474.db2.gz LSFORWORUKZWJG-UHFFFAOYSA-N -2 0 347.352 2.477 20 0 EEADRL CO[C@H](C)c1nc(=NC(=O)c2c[n-]c3ccc(C)cc3c2=O)s[n-]1 ZINC000357696742 153292889 /nfs/dbraw/zinc/29/28/89/153292889.db2.gz NDWGSHLZQPJTLC-SECBINFHSA-N -2 0 344.396 2.070 20 0 EEADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)c1 ZINC000336847628 160560603 /nfs/dbraw/zinc/56/06/03/160560603.db2.gz XJDDTYLYBSQJHZ-UHFFFAOYSA-N -2 0 325.367 2.277 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c(F)c1 ZINC000358861305 164002559 /nfs/dbraw/zinc/00/25/59/164002559.db2.gz WGHMDEUHABVTPA-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c2ccccc21 ZINC000360501916 164324959 /nfs/dbraw/zinc/32/49/59/164324959.db2.gz ZXMQZRYTKRRTRZ-JTQLQIEISA-N -2 0 333.365 2.403 20 0 EEADRL COCc1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O ZINC000436993351 315020766 /nfs/dbraw/zinc/02/07/66/315020766.db2.gz BGGJCIKPEHQCMV-UHFFFAOYSA-N -2 0 337.353 2.038 20 0 EEADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000336870009 465062063 /nfs/dbraw/zinc/06/20/63/465062063.db2.gz GTKJMXNDWUKBJW-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000045713772 462609742 /nfs/dbraw/zinc/60/97/42/462609742.db2.gz MSLFXWAROROZED-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cccc3nsnc32)cc1 ZINC000039698679 463451085 /nfs/dbraw/zinc/45/10/85/463451085.db2.gz OIWDNXMADBRGKK-UHFFFAOYSA-N -2 0 349.393 2.119 20 0 EEADRL COc1ccsc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC ZINC000348448419 465611473 /nfs/dbraw/zinc/61/14/73/465611473.db2.gz XGIQEODXSWKJEF-UHFFFAOYSA-N -2 0 343.382 2.264 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc2c1OCCO2 ZINC000340128590 465793689 /nfs/dbraw/zinc/79/36/89/465793689.db2.gz UASBXJFRNZVZOL-UHFFFAOYSA-N -2 0 349.364 2.265 20 0 EEADRL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)c1 ZINC000357175543 465831493 /nfs/dbraw/zinc/83/14/93/465831493.db2.gz RYRRCLMBDDOOPH-UHFFFAOYSA-N -2 0 341.772 2.474 20 0 EEADRL CC(C)n1cnc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c1 ZINC000338216328 465910488 /nfs/dbraw/zinc/91/04/88/465910488.db2.gz KOFQIJVFODEHLV-UHFFFAOYSA-N -2 0 327.337 2.102 20 0 EEADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2cncc(F)c2)cc1)C(=O)[O-] ZINC000350728688 466591041 /nfs/dbraw/zinc/59/10/41/466591041.db2.gz DVQHMPCCWAAVLY-JTQLQIEISA-N -2 0 338.360 2.285 20 0 EEADRL CCC(CC)(CNC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)C(=O)[O-] ZINC000424258653 467014214 /nfs/dbraw/zinc/01/42/14/467014214.db2.gz YJFYWMUATIKWOH-UHFFFAOYSA-N -2 0 345.399 2.095 20 0 EEADRL CC(C)(CCNC(=O)N=c1nc(-c2ccccc2)[n-]s1)C(=O)[O-] ZINC000424469222 467058115 /nfs/dbraw/zinc/05/81/15/467058115.db2.gz KNXDWSAFXIFBGH-UHFFFAOYSA-N -2 0 334.401 2.249 20 0 EEADRL Cc1c(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])cnn1C ZINC000427263643 467147625 /nfs/dbraw/zinc/14/76/25/467147625.db2.gz WDRAQIQOJULJCQ-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL CC(C)n1cnc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c1 ZINC000427302973 467149443 /nfs/dbraw/zinc/14/94/43/467149443.db2.gz VWEIAKFBGLQCMN-UHFFFAOYSA-N -2 0 327.337 2.102 20 0 EEADRL C[C@H](CCC[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000568001835 468254267 /nfs/dbraw/zinc/25/42/67/468254267.db2.gz JMFMXLRMFWPSCM-SSDOTTSWSA-N -2 0 341.763 2.397 20 0 EEADRL CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1cc(C(C)=O)ccc1[O-] ZINC000641685133 470446359 /nfs/dbraw/zinc/44/63/59/470446359.db2.gz IKLOTSNRBBBFOW-LSDHHAIUSA-N -2 0 327.402 2.294 20 0 EEADRL CCC(CC)(C(=O)[O-])C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000653290869 471570398 /nfs/dbraw/zinc/57/03/98/471570398.db2.gz KIPOFZMZEGRYCG-KGLIPLIRSA-N -2 0 333.384 2.204 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cnc(CC2CC2)nc1 ZINC000671167047 485769495 /nfs/dbraw/zinc/76/94/95/485769495.db2.gz DUMXLDSMGDXLKQ-UHFFFAOYSA-N -2 0 347.396 2.237 20 0 EEADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1 ZINC000737717123 577035058 /nfs/dbraw/zinc/03/50/58/577035058.db2.gz IDAZMMWVQHXXBK-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000777601325 577482857 /nfs/dbraw/zinc/48/28/57/577482857.db2.gz QTCHIAAGQMDQLR-UHFFFAOYSA-N -2 0 335.385 2.101 20 0 EEADRL C[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736561467 578211406 /nfs/dbraw/zinc/21/14/06/578211406.db2.gz HYUQNJQKUOAXQW-VIFPVBQESA-N -2 0 345.442 2.468 20 0 EEADRL CCCn1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000737049821 578235237 /nfs/dbraw/zinc/23/52/37/578235237.db2.gz IRPBLOCTHBHXRF-UHFFFAOYSA-N -2 0 345.327 2.070 20 0 EEADRL C[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000828233217 600943462 /nfs/dbraw/zinc/94/34/62/600943462.db2.gz MPWHYSMFWDBRIF-BXUZGUMPSA-N -2 0 339.413 2.157 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2n[nH]c3cccc(F)c32)s1 ZINC000833324238 601201331 /nfs/dbraw/zinc/20/13/31/601201331.db2.gz PVBFNGKGNDMVKJ-UHFFFAOYSA-N -2 0 341.345 2.263 20 0 EEADRL CCOc1cccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])n1 ZINC000830104549 601362526 /nfs/dbraw/zinc/36/25/26/601362526.db2.gz HJDRQOMUBWIJAQ-UHFFFAOYSA-N -2 0 340.332 2.118 20 0 EEADRL CC(C)(C)c1nnc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)s1 ZINC000826528094 601502872 /nfs/dbraw/zinc/50/28/72/601502872.db2.gz IERJCOGTFYXONV-UHFFFAOYSA-N -2 0 341.414 2.335 20 0 EEADRL CC(C)c1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)s1 ZINC000827168590 601503257 /nfs/dbraw/zinc/50/32/57/601503257.db2.gz NNLCKHRTITYORN-UHFFFAOYSA-N -2 0 327.387 2.161 20 0 EEADRL COc1cccnc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000832633023 601843888 /nfs/dbraw/zinc/84/38/88/601843888.db2.gz PJGKYTXPCRAJBN-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(C(C)C)[nH]n1 ZINC000831946649 601851752 /nfs/dbraw/zinc/85/17/52/601851752.db2.gz VXHMBKQPXXAPOP-UHFFFAOYSA-N -2 0 345.402 2.102 20 0 EEADRL CC(C)CN(CCC(=O)[O-])C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000826876113 602298770 /nfs/dbraw/zinc/29/87/70/602298770.db2.gz RMMIUMVRRABBIY-UHFFFAOYSA-N -2 0 349.362 2.290 20 0 EEADRL CCC[C@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])C(C)C ZINC000833648414 605053433 /nfs/dbraw/zinc/05/34/33/605053433.db2.gz SDUCDLLHHAQLHI-VIFPVBQESA-N -2 0 333.431 2.324 20 0 EEADRL CC(C)(C)/C=C\C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833422478 605118127 /nfs/dbraw/zinc/11/81/27/605118127.db2.gz IRVFDLLAIOQKTA-SREVYHEPSA-N -2 0 345.804 2.445 20 0 EEADRL CC1=C(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)CCC1 ZINC000833575658 605118903 /nfs/dbraw/zinc/11/89/03/605118903.db2.gz IVXOSTRQGYWWDY-UHFFFAOYSA-N -2 0 343.788 2.344 20 0 EEADRL COc1ccc(O)c(S(=O)(=O)[N-]c2scc(C(=O)[O-])c2C)c1 ZINC000833733223 605125777 /nfs/dbraw/zinc/12/57/77/605125777.db2.gz CYIPLLMETDYWIZ-UHFFFAOYSA-N -2 0 343.382 2.270 20 0 EEADRL CC(C)(C)c1nc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)no1 ZINC000833451539 605585398 /nfs/dbraw/zinc/58/53/98/605585398.db2.gz WRRZEWKOEYPNAL-UHFFFAOYSA-N -2 0 343.336 2.005 20 0 EEADRL CC(C)c1cccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CC=CC2)c1 ZINC000863957116 1197936616 /nfs/dbraw/zinc/93/66/16/1197936616.db2.gz XYFPMORSFGTJHJ-UHFFFAOYSA-N -2 0 337.397 2.036 20 0 EEADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000863957151 1197936621 /nfs/dbraw/zinc/93/66/21/1197936621.db2.gz UAGWZTXKZPSGJL-UHFFFAOYSA-N -2 0 347.820 2.344 20 0 EEADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)CCC1CCCCC1 ZINC000863963252 1197938314 /nfs/dbraw/zinc/93/83/14/1197938314.db2.gz PZWCJPLZARGXPE-UHFFFAOYSA-N -2 0 333.450 2.294 20 0 EEADRL C[C@H]([N-]S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1)C(F)(F)F ZINC000389204462 1253362706 /nfs/dbraw/zinc/36/27/06/1253362706.db2.gz FXPPQYAXJHREJY-BYPYZUCNSA-N -2 0 349.689 2.406 20 0 EEADRL Cc1cn2c(cccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)n1 ZINC001185869266 1278830907 /nfs/dbraw/zinc/83/09/07/1278830907.db2.gz QSNCSZFEBYHTQS-UHFFFAOYSA-N -2 0 345.380 2.450 20 0 EEADRL COc1cc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c(C)cn1 ZINC001186152650 1278975042 /nfs/dbraw/zinc/97/50/42/1278975042.db2.gz IVZIFMJJQOABIT-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL O=C(N[C@H]1CCCc2cccnc21)c1ccccc1OP(=O)([O-])[O-] ZINC001189900262 1280570842 /nfs/dbraw/zinc/57/08/42/1280570842.db2.gz XDSNKPNJXDDBCZ-ZDUSSCGKSA-N -2 0 348.295 2.361 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2cncs2)cc1C(=O)[O-] ZINC001192608717 1282075583 /nfs/dbraw/zinc/07/55/83/1282075583.db2.gz ITCRYYFSQRKJDJ-UHFFFAOYSA-N -2 0 328.371 2.041 20 0 EEADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cnccc2C2CC2)cc1 ZINC001192685785 1282103873 /nfs/dbraw/zinc/10/38/73/1282103873.db2.gz RTIOMJXYRARRLQ-UHFFFAOYSA-N -2 0 348.380 2.223 20 0 EEADRL CCOC(=O)c1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc(C)n1 ZINC001242159414 1309622463 /nfs/dbraw/zinc/62/24/63/1309622463.db2.gz NVSFRWOEGKKWHX-UHFFFAOYSA-N -2 0 330.296 2.025 20 0 EEADRL CC(C)(C)OC(=O)c1ccnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242159763 1309622643 /nfs/dbraw/zinc/62/26/43/1309622643.db2.gz YIKOCYQALRFJKV-UHFFFAOYSA-N -2 0 344.323 2.495 20 0 EEADRL CCOC(=O)Cc1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccn1 ZINC001242162962 1309624015 /nfs/dbraw/zinc/62/40/15/1309624015.db2.gz MZRFCCKGQLZVMW-UHFFFAOYSA-N -2 0 329.308 2.251 20 0 EEADRL Cc1ccc(-c2cccc3c2NC(=O)[N-]S3(=O)=O)cc1C(=O)[O-] ZINC001243196509 1309778997 /nfs/dbraw/zinc/77/89/97/1309778997.db2.gz YWHBZBAMIDZNDS-UHFFFAOYSA-N -2 0 332.337 2.184 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n(CC2CC2)n1 ZINC001260222113 1319837143 /nfs/dbraw/zinc/83/71/43/1319837143.db2.gz LUIQNGSEFLEKLF-UHFFFAOYSA-N -2 0 335.385 2.101 20 0 EEADRL O=P([O-])([O-])OCCNC(F)(F)c1cc(Cl)nc(Cl)c1 ZINC001157787565 1318860877 /nfs/dbraw/zinc/86/08/77/1318860877.db2.gz MRRJYIIVGXBLGK-UHFFFAOYSA-N -2 0 337.046 2.137 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2c(C)nn(C)c2C)ccc1[S-] ZINC001260111524 1319799900 /nfs/dbraw/zinc/79/99/00/1319799900.db2.gz JECKPXBSMWOVAD-UHFFFAOYSA-N -2 0 327.431 2.135 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2O)c1 ZINC001260189788 1319821351 /nfs/dbraw/zinc/82/13/51/1319821351.db2.gz GILXHDPZDHYHLU-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)C2)oc1Cl ZINC001602295121 1350487364 /nfs/dbraw/zinc/48/73/64/1350487364.db2.gz XCCSHDLJMVVCLW-ZCFIWIBFSA-N -2 0 343.735 2.487 20 0 EEADRL O=C([O-])CCC(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC001608704855 1351745187 /nfs/dbraw/zinc/74/51/87/1351745187.db2.gz ABIPCINRZDEJIU-UHFFFAOYSA-N -2 0 344.367 2.437 20 0 EEADRL O=C([O-])CCN(CC(=O)[O-])c1nnc(-c2ccccc2Cl)s1 ZINC001608720786 1351748998 /nfs/dbraw/zinc/74/89/98/1351748998.db2.gz DZJBBDIGQPFJKC-UHFFFAOYSA-N -2 0 341.776 2.224 20 0 EEADRL O=C([O-])C[C@H](NC(=O)c1cnncc1O)c1ccc2ccccc2c1 ZINC001608775096 1351760266 /nfs/dbraw/zinc/76/02/66/1351760266.db2.gz OMVBFXYZQVMZRI-HNNXBMFYSA-N -2 0 337.335 2.281 20 0 EEADRL O=C([O-])c1c(F)cccc1NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001608828615 1351773203 /nfs/dbraw/zinc/77/32/03/1351773203.db2.gz OTSGHNSSXGMALE-VHSXEESVSA-N -2 0 336.319 2.098 20 0 EEADRL O=C([O-])c1sccc1[N-]S(=O)(=O)c1cccc2c1OCCO2 ZINC001609009742 1351813200 /nfs/dbraw/zinc/81/32/00/1351813200.db2.gz GJUDQWUYRMLEAG-UHFFFAOYSA-N -2 0 341.366 2.018 20 0 EEADRL CCCC(CCC)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001609956520 1352129852 /nfs/dbraw/zinc/12/98/52/1352129852.db2.gz XESHXJBFUIQCPY-UHFFFAOYSA-N -2 0 333.431 2.468 20 0 EEADRL CC[C@H](C)[C@H](N=c1nc(C)[nH]c2sc(C(=O)[O-])c(C)c21)C(=O)[O-] ZINC001610053276 1352151087 /nfs/dbraw/zinc/15/10/87/1352151087.db2.gz VTOLYYRIFGNOAY-WKEGUHRASA-N -2 0 337.401 2.339 20 0 EEADRL CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)nn1C ZINC001610059479 1352152187 /nfs/dbraw/zinc/15/21/87/1352152187.db2.gz VDHCNJOZIKPYLR-UHFFFAOYSA-N -2 0 343.792 2.135 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2O)o1 ZINC001610513013 1352236310 /nfs/dbraw/zinc/23/63/10/1352236310.db2.gz DFGCCEWVRSEQKF-UHFFFAOYSA-N -2 0 331.733 2.446 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])s1 ZINC001610839850 1352283371 /nfs/dbraw/zinc/28/33/71/1352283371.db2.gz GGGCYLJFZLKMAT-UHFFFAOYSA-N -3 0 345.329 2.084 20 0 EEADRL Cc1cc(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])c(C(=O)[O-])[nH]1 ZINC001600277171 1350009078 /nfs/dbraw/zinc/00/90/78/1350009078.db2.gz QNVDYHSGWSFTHI-UHFFFAOYSA-N -2 0 344.302 2.304 20 0 EEADRL O=C([O-])c1c(Cl)cccc1S(=O)(=O)[N-]C(=O)CC1CCC1 ZINC001601252444 1350242008 /nfs/dbraw/zinc/24/20/08/1350242008.db2.gz TZLMILGMQMDXOU-UHFFFAOYSA-N -2 0 331.777 2.033 20 0 EEADRL O=C([O-])[C@@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])c1cccs1 ZINC001601405604 1350276384 /nfs/dbraw/zinc/27/63/84/1350276384.db2.gz LZVPADCZWHXBET-AWEZNQCLSA-N -2 0 343.364 2.195 20 0 EEADRL O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)c3ccc4[n-]c(=S)oc4c3)[C@@H]2C1 ZINC001601578366 1350311556 /nfs/dbraw/zinc/31/15/56/1350311556.db2.gz LIQFZPODWMAJMC-KLBPJQLPSA-N -2 0 332.381 2.346 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)Nc2cccc(Cl)c2)C1 ZINC001601791773 1350364996 /nfs/dbraw/zinc/36/49/96/1350364996.db2.gz BMSFEAWKYPXPEE-KCJUWKMLSA-N -2 0 326.736 2.122 20 0 EEADRL O=C([O-])CCCO[N-]C(=O)CSc1cccc(Br)c1 ZINC001601994402 1350413338 /nfs/dbraw/zinc/41/33/38/1350413338.db2.gz AUAFBAZJGAXQRC-UHFFFAOYSA-N -2 0 348.218 2.454 20 0 EEADRL O=C([O-])Cn1ncc2ccc(NC(=O)c3c([O-])cccc3F)cc21 ZINC001602168552 1350456457 /nfs/dbraw/zinc/45/64/57/1350456457.db2.gz OTUGOXHKIDEFTD-UHFFFAOYSA-N -2 0 329.287 2.218 20 0 EEADRL O=C([O-])[C@H]1C[C@@H](S(=O)(=O)[N-][C@H](C2CCCCC2)C(F)(F)F)C1 ZINC001602220962 1350469604 /nfs/dbraw/zinc/46/96/04/1350469604.db2.gz LBKSYALHQCPCLE-OUAUKWLOSA-N -2 0 343.367 2.280 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)N[C@H]2Cc3ccc(Cl)cc3C2)c1 ZINC001602556621 1350545387 /nfs/dbraw/zinc/54/53/87/1350545387.db2.gz JFQCREYSMSAMGF-LBPRGKRZSA-N -2 0 341.772 2.077 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2ccn(Cc3ccccc3)n2)c1 ZINC001602559386 1350546390 /nfs/dbraw/zinc/54/63/90/1350546390.db2.gz MWRCHRFYLYMCLP-UHFFFAOYSA-N -2 0 347.352 2.023 20 0 EEADRL O=C([O-])c1nccc2c1cccc2S(=O)(=O)[N-]c1nccs1 ZINC001602575811 1350549774 /nfs/dbraw/zinc/54/97/74/1350549774.db2.gz KETDZOJTFKTWRV-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL CC(C)(C)Cc1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)o1 ZINC001603339249 1350690280 /nfs/dbraw/zinc/69/02/80/1350690280.db2.gz YPHKSPARZQVIKZ-UHFFFAOYSA-N -2 0 345.402 2.219 20 0 EEADRL CC(C)CCc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)nc1 ZINC001603798780 1350770200 /nfs/dbraw/zinc/77/02/00/1350770200.db2.gz JFJBMIRKXGRGFE-UHFFFAOYSA-N -2 0 337.401 2.497 20 0 EEADRL C[C@@](CC(=O)[O-])(NC(=O)c1s[n-]c(=O)c1Cl)c1ccncc1 ZINC001604088305 1350852285 /nfs/dbraw/zinc/85/22/85/1350852285.db2.gz NTOLBTKBEZELDA-ZDUSSCGKSA-N -2 0 341.776 2.017 20 0 EEADRL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1C ZINC001604977077 1351043683 /nfs/dbraw/zinc/04/36/83/1351043683.db2.gz SFCVUEDKHKGYKX-MRVPVSSYSA-N -2 0 327.362 2.255 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC001605885505 1351246682 /nfs/dbraw/zinc/24/66/82/1351246682.db2.gz UAUOTIUUGQLBDB-UHFFFAOYSA-N -3 0 339.325 2.039 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)nc1C ZINC001605924825 1351254777 /nfs/dbraw/zinc/25/47/77/1351254777.db2.gz JSGUESJTCKRMRZ-UONOGXRCSA-N -2 0 349.412 2.200 20 0 EEADRL Cc1cccc(C[C@H](CNC(=O)[C@@H](C(=O)[O-])C2CCCC2)C(=O)[O-])c1 ZINC001607847058 1351570389 /nfs/dbraw/zinc/57/03/89/1351570389.db2.gz OZVZMQNDUFOYMQ-CVEARBPZSA-N -2 0 347.411 2.246 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)c1C(=O)[O-] ZINC001607862863 1351573939 /nfs/dbraw/zinc/57/39/39/1351573939.db2.gz CZWNNYHEFOZRPG-UHFFFAOYSA-N -2 0 331.300 2.086 20 0 EEADRL O=P([O-])([O-])OCCNc1ccnc2[nH]cc(C(F)(F)F)c21 ZINC001168591557 790772232 /nfs/dbraw/zinc/77/22/32/790772232.db2.gz BCMBTDATMDNWHO-UHFFFAOYSA-N -2 0 325.183 2.103 20 0 EEADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N(C2CC2)C2CCCC2)c1 ZINC000906821612 784196710 /nfs/dbraw/zinc/19/67/10/784196710.db2.gz YGKNOZAPROTCLW-UHFFFAOYSA-N -2 0 325.386 2.186 20 0 EEADRL C[C@H](C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1ccc(Cl)s1 ZINC000910182341 786514488 /nfs/dbraw/zinc/51/44/88/786514488.db2.gz HFEIALNRERQERS-CIUDSAMLSA-N -2 0 345.804 2.281 20 0 EEADRL CC(C)Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1 ZINC000910186242 786518632 /nfs/dbraw/zinc/51/86/32/786518632.db2.gz OVXOXEWYPSGPKM-LSDHHAIUSA-N -2 0 333.384 2.275 20 0 EEADRL CC[C@H](CC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1ccccc1 ZINC000910187168 786519554 /nfs/dbraw/zinc/51/95/54/786519554.db2.gz BIZJRDUCFWIUHG-YUELXQCFSA-N -2 0 333.384 2.347 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cc1ccc2ccccc2c1 ZINC000910191172 786522949 /nfs/dbraw/zinc/52/29/49/786522949.db2.gz YAXVQSPDLOSTQA-JKSUJKDBSA-N -2 0 341.363 2.159 20 0 EEADRL O=C([O-])[C@@H](C[C@@H]1CCCOC1)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000910235581 786558118 /nfs/dbraw/zinc/55/81/18/786558118.db2.gz IWUORUJSPXQFRU-JOYOIKCWSA-N -2 0 327.764 2.045 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)ccc1C(=O)[O-] ZINC000821173122 786644554 /nfs/dbraw/zinc/64/45/54/786644554.db2.gz LPDMIZMSMIFKNF-UHFFFAOYSA-N -2 0 349.290 2.236 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c(O)c1 ZINC000916102020 797506531 /nfs/dbraw/zinc/50/65/31/797506531.db2.gz OZOQZCCFTHOTQL-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2nnc(C(C)C)o2)cc1C(=O)[O-] ZINC001184653934 802119058 /nfs/dbraw/zinc/11/90/58/802119058.db2.gz VCYNOVXGDGGZFK-UHFFFAOYSA-N -2 0 325.346 2.000 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cccc3cnoc32)cc1C(=O)[O-] ZINC001185310519 802454555 /nfs/dbraw/zinc/45/45/55/802454555.db2.gz KMPJIDIJGRMUTP-UHFFFAOYSA-N -2 0 348.336 2.335 20 0 EEADRL O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000324131542 971086987 /nfs/dbraw/zinc/08/69/87/971086987.db2.gz IJTVMJQDRWRWHC-LLVKDONJSA-N -2 0 339.269 2.235 20 0 EEADRL O=C([O-])C1CC2(C1)CC[C@H](CNC(=O)c1ccc(Cl)c([O-])c1)O2 ZINC001594749376 953407972 /nfs/dbraw/zinc/40/79/72/953407972.db2.gz IQAWPDYCXFCGFY-NOEPWBJOSA-N -2 0 339.775 2.188 20 0 EEADRL COC[C@]1(C(=O)[O-])CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C1 ZINC001593964058 956525619 /nfs/dbraw/zinc/52/56/19/956525619.db2.gz WZIFKVKSTKYDMD-AWEZNQCLSA-N -2 0 348.182 2.262 20 0 EEADRL N#Cc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)[O-])c2)c(Cl)c1 ZINC000388855849 972195727 /nfs/dbraw/zinc/19/57/27/972195727.db2.gz WAHSXYNARQYAKA-UHFFFAOYSA-N -2 0 337.744 2.106 20 0 EEADRL O=C([O-])c1ccnc(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])c1 ZINC001574820086 957904419 /nfs/dbraw/zinc/90/44/19/957904419.db2.gz GMWODFUODAIYHY-UHFFFAOYSA-N -2 0 342.286 2.063 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cccc3ocnc32)c1 ZINC001260215345 960707460 /nfs/dbraw/zinc/70/74/60/960707460.db2.gz XLEOXDZYDGYLOA-UHFFFAOYSA-N -2 0 336.300 2.466 20 0 EEADRL O=Cc1ccc(-c2ccc(C(=O)N3CCC[C@H]3C(=O)[O-])c([O-])c2)o1 ZINC001606567873 970372574 /nfs/dbraw/zinc/37/25/74/970372574.db2.gz OHEWWKHZTHCVRW-ZDUSSCGKSA-N -2 0 329.308 2.154 20 0 EEADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ncccc2C(=O)[O-])cc1F ZINC001605178641 972888190 /nfs/dbraw/zinc/88/81/90/972888190.db2.gz BNJXUQCPBJSVMG-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL C[C@@H](CNC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)C(=O)[O-] ZINC001592682728 979107139 /nfs/dbraw/zinc/10/71/39/979107139.db2.gz RFERLWHJYAPQLG-JTQLQIEISA-N -2 0 346.339 2.145 20 0 EEADRL CCC(CC)(C(=O)[O-])C(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-] ZINC001595047612 979258160 /nfs/dbraw/zinc/25/81/60/979258160.db2.gz AUIFSVGTNJYEIK-CQSZACIVSA-N -2 0 335.400 2.246 20 0 EEADRL CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001595566544 981461985 /nfs/dbraw/zinc/46/19/85/981461985.db2.gz CVPRQOCGBJEYNH-MRVPVSSYSA-N -2 0 333.793 2.279 20 0 EEADRL CCCCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2CC)[nH]n1 ZINC001595793840 982597053 /nfs/dbraw/zinc/59/70/53/982597053.db2.gz PSEMPRXNJDGKKD-UHFFFAOYSA-N -2 0 341.389 2.407 20 0 EEADRL CCCN(CC(=O)[O-])C(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC001595853108 982780264 /nfs/dbraw/zinc/78/02/64/982780264.db2.gz BYRVTZBARABOCP-SNVBAGLBSA-N -2 0 325.386 2.189 20 0 EEADRL C/C(=C/C(C)(C)C)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001588956397 984703674 /nfs/dbraw/zinc/70/36/74/984703674.db2.gz NQUSRKIFULVBMM-FPLPWBNLSA-N -2 0 329.374 2.084 20 0 EEADRL CCOC(=O)c1cnc(/C=C/c2ccc(C(=O)[O-])o2)c(C(=O)[O-])c1 ZINC001596739656 985036629 /nfs/dbraw/zinc/03/66/29/985036629.db2.gz VHRCSUOXGBUKOZ-HWKANZROSA-N -2 0 331.280 2.418 20 0 EEADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(C(C)(C)C)c(Cl)c1 ZINC001589491841 987060402 /nfs/dbraw/zinc/06/04/02/987060402.db2.gz OCRPKHCOGNFEDQ-MRVPVSSYSA-N -2 0 347.820 2.170 20 0 EEADRL CCc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1F ZINC001597557076 988293636 /nfs/dbraw/zinc/29/36/36/988293636.db2.gz VIGRKFZHTJLMMU-UHFFFAOYSA-N -2 0 330.362 2.344 20 0 EEADRL CCc1ncc(S(=O)(=O)[N-]c2c(C)ccc(C(=O)[O-])c2O)s1 ZINC001597703151 988936993 /nfs/dbraw/zinc/93/69/93/988936993.db2.gz VXZSCTCGNFRJTL-UHFFFAOYSA-N -2 0 342.398 2.219 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1N(C)C ZINC001597791803 989326696 /nfs/dbraw/zinc/32/66/96/989326696.db2.gz UAVKERYGQKIJFO-UHFFFAOYSA-N -2 0 338.385 2.407 20 0 EEADRL CC(C)(CNC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])C(=O)[O-] ZINC001590749393 990548532 /nfs/dbraw/zinc/54/85/32/990548532.db2.gz RMNDXMVQBORXSR-UHFFFAOYSA-N -2 0 331.324 2.305 20 0 EEADRL CN(C)c1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001598295116 991223646 /nfs/dbraw/zinc/22/36/46/991223646.db2.gz RMYOCAUIUYICRZ-NSHDSACASA-N -2 0 349.387 2.169 20 0 EEADRL CC(C)C[C@@H](CNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)C(=O)[O-] ZINC001591149140 991887951 /nfs/dbraw/zinc/88/79/51/991887951.db2.gz BDBJAJODZNTRNL-ZDUSSCGKSA-N -2 0 334.372 2.157 20 0 EEADRL CN(CCC(=O)[O-])C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC001598469728 992006486 /nfs/dbraw/zinc/00/64/86/992006486.db2.gz SOKSPUHUCNKRFE-UHFFFAOYSA-N -2 0 345.149 2.086 20 0 EEADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(O)cc(F)c1 ZINC001599383728 996905435 /nfs/dbraw/zinc/90/54/35/996905435.db2.gz ISGNAGIQCGRZOX-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL Cc1cc(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)ccc1C(=O)[O-] ZINC001594316145 999224005 /nfs/dbraw/zinc/22/40/05/999224005.db2.gz JPVVHNHGCGZMQM-UHFFFAOYSA-N -2 0 332.278 2.089 20 0 EEADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](CCC(=O)[O-])c1ccccc1 ZINC000275377813 539703946 /nfs/dbraw/zinc/70/39/46/539703946.db2.gz ZJJXPSYZSOOVMF-KOLCDFICSA-N -2 0 339.335 2.463 20 0 EEADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000267888604 256094177 /nfs/dbraw/zinc/09/41/77/256094177.db2.gz SQJATGFQNYZDFG-GFCCVEGCSA-N -2 0 343.401 2.094 20 0 EEADRL Cc1cccc([N-]S(=O)(=O)c2cc(Cl)cnc2N)c1C(=O)[O-] ZINC000339072864 160826342 /nfs/dbraw/zinc/82/63/42/160826342.db2.gz VGBJFGPZLQCJIE-UHFFFAOYSA-N -2 0 341.776 2.125 20 0 EEADRL Cc1cc(C(=O)Nc2scnc2C2CC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000342872845 161097020 /nfs/dbraw/zinc/09/70/20/161097020.db2.gz ZKNIYRHVICPKNM-UHFFFAOYSA-N -2 0 343.368 2.331 20 0 EEADRL Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000360511841 164326805 /nfs/dbraw/zinc/32/68/05/164326805.db2.gz NZLNWXORQAGTLT-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)C[C@@H](CC(C)C)OC ZINC000421143948 314052207 /nfs/dbraw/zinc/05/22/07/314052207.db2.gz BDGYOCYTXUCLKD-GFCCVEGCSA-N -2 0 345.417 2.196 20 0 EEADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cc(F)ccc2O)c1 ZINC000436831225 315002977 /nfs/dbraw/zinc/00/29/77/315002977.db2.gz XKZOCIUUESKCOT-UHFFFAOYSA-N -2 0 341.316 2.044 20 0 EEADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000339070235 465063883 /nfs/dbraw/zinc/06/38/83/465063883.db2.gz IWNHFIKJTJOALP-UHFFFAOYSA-N -3 0 345.329 2.084 20 0 EEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)COC2 ZINC000336879865 465076645 /nfs/dbraw/zinc/07/66/45/465076645.db2.gz NQJIMPBFYLVHOP-UHFFFAOYSA-N -2 0 349.364 2.224 20 0 EEADRL COc1ncc(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000341300730 465100569 /nfs/dbraw/zinc/10/05/69/465100569.db2.gz ZPZZRCUYSNCUBO-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000064479151 462706004 /nfs/dbraw/zinc/70/60/04/462706004.db2.gz QHRGJIALYLJJJD-UHFFFAOYSA-N -2 0 332.337 2.066 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000014097289 462910136 /nfs/dbraw/zinc/91/01/36/462910136.db2.gz GTDJMAKSJTWBQJ-UHFFFAOYSA-N -2 0 335.337 2.192 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)cc1C(=O)[O-] ZINC000042795876 463598314 /nfs/dbraw/zinc/59/83/14/463598314.db2.gz QAVBBCYGNUAUCH-UHFFFAOYSA-N -2 0 347.352 2.071 20 0 EEADRL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1cccc2c1OCO2 ZINC000337764199 465564351 /nfs/dbraw/zinc/56/43/51/465564351.db2.gz RHLQIAZNDTZDNB-UHFFFAOYSA-N -2 0 339.300 2.053 20 0 EEADRL COc1cccc(C)c1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000357066102 465739570 /nfs/dbraw/zinc/73/95/70/465739570.db2.gz BERLALBTMNCANT-UHFFFAOYSA-N -2 0 335.381 2.432 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c2n[nH]cc21 ZINC000357132853 465798893 /nfs/dbraw/zinc/79/88/93/465798893.db2.gz NIRJHOMVDBCESV-UHFFFAOYSA-N -2 0 345.380 2.299 20 0 EEADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cs1 ZINC000361999117 466474188 /nfs/dbraw/zinc/47/41/88/466474188.db2.gz HMCJXRZPYIDNNC-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL O=C([O-])CCC1CCN(C(=O)NCc2cccc(C(=O)[O-])c2)CC1 ZINC000659407890 471611316 /nfs/dbraw/zinc/61/13/16/471611316.db2.gz MSFNLOYDWYGWDU-UHFFFAOYSA-N -2 0 334.372 2.171 20 0 EEADRL O=C([O-])CCCCCNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000663021426 472329511 /nfs/dbraw/zinc/32/95/11/472329511.db2.gz NRRWFGDQPXNXOR-UHFFFAOYSA-N -2 0 335.335 2.092 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cnn(CC3CC3)c2)ccc1C(=O)[O-] ZINC000671660248 485966200 /nfs/dbraw/zinc/96/62/00/485966200.db2.gz WVLOYUJUQFJKLS-UHFFFAOYSA-N -2 0 335.385 2.101 20 0 EEADRL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c(C(=O)[O-])c1 ZINC000738359641 576343459 /nfs/dbraw/zinc/34/34/59/576343459.db2.gz WKQHFQVIZIIXNM-UHFFFAOYSA-N -3 0 339.325 2.094 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2nc(C)c(C(=O)[O-])s2)c(C)c1 ZINC000738069558 576387704 /nfs/dbraw/zinc/38/77/04/576387704.db2.gz KSIIEXPGAHCDSM-UHFFFAOYSA-N -2 0 342.398 2.268 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(F)cc2O)c1 ZINC000765101376 577494930 /nfs/dbraw/zinc/49/49/30/577494930.db2.gz DZDJTNNCLMFNDN-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL O=C([O-])Nc1ccccc1C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000740055731 578078961 /nfs/dbraw/zinc/07/89/61/578078961.db2.gz HTVQMMZYNLZBAS-UHFFFAOYSA-N -2 0 340.295 2.372 20 0 EEADRL O=C([O-])c1sccc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000740089782 578080383 /nfs/dbraw/zinc/08/03/83/578080383.db2.gz LDWDIXSOOSEHIB-UHFFFAOYSA-N -2 0 345.329 2.084 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2c(O)cccc2F)c1 ZINC000740143815 578082633 /nfs/dbraw/zinc/08/26/33/578082633.db2.gz KQYQZSLPJQRBHB-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c1C(=O)[O-] ZINC000738828379 578213403 /nfs/dbraw/zinc/21/34/03/578213403.db2.gz AEQWDVKPYHQVJR-UHFFFAOYSA-N -2 0 349.290 2.236 20 0 EEADRL CCc1csc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)n1 ZINC000737273903 578247532 /nfs/dbraw/zinc/24/75/32/578247532.db2.gz CYZOBLWDRABVAH-UHFFFAOYSA-N -2 0 326.399 2.133 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])cnc1Cl ZINC000818853229 597315515 /nfs/dbraw/zinc/31/55/15/597315515.db2.gz TVBMGOKPEAIOOG-UHFFFAOYSA-N -2 0 340.788 2.471 20 0 EEADRL C[C@](CC(=O)NCc1cccc(C(=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC000820071692 598181436 /nfs/dbraw/zinc/18/14/36/598181436.db2.gz DWNUHBKCSQABAD-LJQANCHMSA-N -2 0 341.363 2.434 20 0 EEADRL O=C([O-])c1ccc(CCC(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000821377450 598195659 /nfs/dbraw/zinc/19/56/59/598195659.db2.gz DOPVJLXAXNYHFU-INIZCTEOSA-N -2 0 327.336 2.260 20 0 EEADRL Cc1ccc(C)c(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)c1 ZINC000020431959 600050919 /nfs/dbraw/zinc/05/09/19/600050919.db2.gz VIWSOPVWQMJPDU-UHFFFAOYSA-N -2 0 326.399 2.188 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2c(O)cccc2F)c(F)cc1F ZINC000833303976 600684661 /nfs/dbraw/zinc/68/46/61/600684661.db2.gz CCORHNSYEHXEDC-UHFFFAOYSA-N -2 0 347.270 2.309 20 0 EEADRL CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)cc1 ZINC000826669249 600982502 /nfs/dbraw/zinc/98/25/02/600982502.db2.gz DHQMWCWNOZTCKV-UHFFFAOYSA-N -2 0 348.380 2.419 20 0 EEADRL Cc1cn2cc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)ccc2n1 ZINC000832985197 600984824 /nfs/dbraw/zinc/98/48/24/600984824.db2.gz GYOZKSMCHWSAMM-UHFFFAOYSA-N -2 0 337.382 2.203 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)nc1 ZINC000832419328 600985812 /nfs/dbraw/zinc/98/58/12/600985812.db2.gz HMURFMRDBZHZSC-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL Cn1cnc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)ccc21 ZINC000833058714 601340083 /nfs/dbraw/zinc/34/00/83/601340083.db2.gz NRMFEUCBKRLMJE-UHFFFAOYSA-N -2 0 349.343 2.211 20 0 EEADRL COc1ccc(C)nc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000832264487 601362684 /nfs/dbraw/zinc/36/26/84/601362684.db2.gz DQVGOTGBIVHQJP-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL CC(C)Cc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)s1 ZINC000230288972 601502092 /nfs/dbraw/zinc/50/20/92/601502092.db2.gz OORQZPYHVQCSSP-UHFFFAOYSA-N -2 0 347.443 2.297 20 0 EEADRL Cn1cc([N-]S(=O)(=O)c2cccc(Cl)c2F)cc1C(=O)[O-] ZINC000833052797 601785195 /nfs/dbraw/zinc/78/51/95/601785195.db2.gz JFBXSMUIVAOPOA-UHFFFAOYSA-N -2 0 332.740 2.317 20 0 EEADRL CSc1ccncc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000832790836 601848049 /nfs/dbraw/zinc/84/80/49/601848049.db2.gz WSOQOIDWJZPPDN-UHFFFAOYSA-N -2 0 342.373 2.442 20 0 EEADRL COc1ncc(C)cc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000832654732 601862923 /nfs/dbraw/zinc/86/29/23/601862923.db2.gz VMIMWXLWJZGHER-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL CC(C)CCn1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)n1 ZINC000826864931 602201468 /nfs/dbraw/zinc/20/14/68/602201468.db2.gz BTQOUQQDAJUAOE-UHFFFAOYSA-N -2 0 327.362 2.021 20 0 EEADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cc(F)ccc1O ZINC000833294975 602308858 /nfs/dbraw/zinc/30/88/58/602308858.db2.gz PQOALWZZQPPIJR-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL C/C(=C\c1ccc(Cl)cc1)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000833387046 604782543 /nfs/dbraw/zinc/78/25/43/604782543.db2.gz UBGWOAGZGXZPHN-MDZDMXLPSA-N -2 0 345.804 2.054 20 0 EEADRL C[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC000926479014 679088599 /nfs/dbraw/zinc/08/85/99/679088599.db2.gz GSNPJBMHDLTIDQ-ZJUUUORDSA-N -2 0 340.426 2.198 20 0 EEADRL CCC(C)(C)CC(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000072700355 1192924413 /nfs/dbraw/zinc/92/44/13/1192924413.db2.gz ZGSBRUPXVFCFTF-UHFFFAOYSA-N -2 0 330.388 2.165 20 0 EEADRL CCc1ccc(CS(=O)(=O)[N-]C(=O)C(CC)(CC)C(=O)[O-])cc1 ZINC000863958702 1197937411 /nfs/dbraw/zinc/93/74/11/1197937411.db2.gz IIDYVDSITFJWEZ-UHFFFAOYSA-N -2 0 341.429 2.086 20 0 EEADRL O=P([O-])([O-])OCCNC(=S)Nc1cccc(C(F)(F)F)c1 ZINC001198070552 1284971832 /nfs/dbraw/zinc/97/18/32/1284971832.db2.gz QGBOCUGPDUTYOB-UHFFFAOYSA-N -2 0 344.251 2.101 20 0 EEADRL CS(=O)(=O)c1ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])cc1F ZINC001236110366 1305502607 /nfs/dbraw/zinc/50/26/07/1305502607.db2.gz CGNYINHLLJKPMG-UHFFFAOYSA-N -2 0 338.312 2.293 20 0 EEADRL Cc1ncn(-c2ccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)nn2)c1C ZINC001242160492 1309622895 /nfs/dbraw/zinc/62/28/95/1309622895.db2.gz LEKLBSQLZZIWLH-UHFFFAOYSA-N -2 0 338.323 2.343 20 0 EEADRL CC(C)(C)OC(=O)c1cnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn1 ZINC001242160842 1309622957 /nfs/dbraw/zinc/62/29/57/1309622957.db2.gz RXNHUURUAXZKMW-UHFFFAOYSA-N -2 0 344.323 2.495 20 0 EEADRL NC(=O)c1cnc2ccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)cc2c1 ZINC001242163389 1309623840 /nfs/dbraw/zinc/62/38/40/1309623840.db2.gz VHKNOUVSKVIEBV-UHFFFAOYSA-N -2 0 336.303 2.397 20 0 EEADRL Cc1cc(-c2c(C(=O)[O-])cccc2C(=O)[O-])cc2c1OCC(=O)N2 ZINC001244064651 1309906065 /nfs/dbraw/zinc/90/60/65/1309906065.db2.gz KNMRMNMLYUXAPH-UHFFFAOYSA-N -2 0 327.292 2.389 20 0 EEADRL O=C(Nc1cccc(-c2nnco2)c1)c1ccc2c([O-])[n-]c(=O)nc2c1 ZINC001153797102 1316885834 /nfs/dbraw/zinc/88/58/34/1316885834.db2.gz NNHGGEIQPCXVFR-UHFFFAOYSA-N -2 0 349.306 2.343 20 0 EEADRL O=P([O-])([O-])OCCNc1cc(Cl)nc(Cc2ccccc2)n1 ZINC001157787553 1318860509 /nfs/dbraw/zinc/86/05/09/1318860509.db2.gz MKTOVAIXFXVBBB-UHFFFAOYSA-N -2 0 343.707 2.242 20 0 EEADRL O=P([O-])([O-])OCCNc1nnc(Cl)c2ccc(Cl)cc21 ZINC001157796054 1318867901 /nfs/dbraw/zinc/86/79/01/1318867901.db2.gz TYSCVWLFWOQISI-UHFFFAOYSA-N -2 0 338.087 2.458 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)ncn1C ZINC001259214012 1319489188 /nfs/dbraw/zinc/48/91/88/1319489188.db2.gz YAQUBFVYHDYEGV-UHFFFAOYSA-N -2 0 347.755 2.020 20 0 EEADRL COC(=O)c1ccc(C2(Nc3ccc(P(=O)([O-])[O-])cc3)CC2)cc1 ZINC001162865499 1320978037 /nfs/dbraw/zinc/97/80/37/1320978037.db2.gz DFQSMMOTUSAKJO-UHFFFAOYSA-N -2 0 347.307 2.377 20 0 EEADRL O=C([O-])[C@H](Cc1ccc(C(F)(F)F)cc1)Sc1n[nH]c(=O)[n-]1 ZINC001608539516 1351712703 /nfs/dbraw/zinc/71/27/03/1351712703.db2.gz CPDZTLXEPBVNFA-QMMMGPOBSA-N -2 0 333.291 2.317 20 0 EEADRL O=C([O-])C1([N-]S(=O)(=O)c2onc(C3CC3)c2Cl)CCCCC1 ZINC001608578064 1351719996 /nfs/dbraw/zinc/71/99/96/1351719996.db2.gz GKDHVPNTRGUQKE-UHFFFAOYSA-N -2 0 348.808 2.271 20 0 EEADRL O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])C1 ZINC001608621255 1351727891 /nfs/dbraw/zinc/72/78/91/1351727891.db2.gz DAMFPXCBCVWYDR-NFAWXSAZSA-N -2 0 331.368 2.088 20 0 EEADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cccnc2C2CC2)cc1 ZINC001608783323 1351762182 /nfs/dbraw/zinc/76/21/82/1351762182.db2.gz IMGPQQWVKUSCLF-UHFFFAOYSA-N -2 0 332.381 2.387 20 0 EEADRL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccn2)c1 ZINC001608787763 1351763568 /nfs/dbraw/zinc/76/35/68/1351763568.db2.gz JIIIALSAKQKJRB-UHFFFAOYSA-N -2 0 326.761 2.163 20 0 EEADRL O=C([O-])c1cc(N2CCC(c3ccccc3C(=O)[O-])CC2)ncn1 ZINC001608852151 1351779200 /nfs/dbraw/zinc/77/92/00/1351779200.db2.gz CHNUTXNKVVRKJI-UHFFFAOYSA-N -2 0 327.340 2.257 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)nn1 ZINC001608905180 1351790944 /nfs/dbraw/zinc/79/09/44/1351790944.db2.gz FAPOPTSCSFTYCE-BQYQJAHWSA-N -2 0 339.760 2.241 20 0 EEADRL CC[C@@H](C)C[C@H](NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)C(=O)[O-] ZINC001609904428 1352115740 /nfs/dbraw/zinc/11/57/40/1352115740.db2.gz KHBXZJASFKFONR-ABAIWWIYSA-N -2 0 345.399 2.093 20 0 EEADRL COc1ccc(C)cc1[N-]S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001610325877 1352205907 /nfs/dbraw/zinc/20/59/07/1352205907.db2.gz HTNUNNHQJGXMCI-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC001610442232 1352222973 /nfs/dbraw/zinc/22/29/73/1352222973.db2.gz QOBZRRIXVVRALD-NSHDSACASA-N -2 0 346.305 2.335 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2cnc(C(C)C)nc2)c1C(=O)[O-] ZINC001610526533 1352239001 /nfs/dbraw/zinc/23/90/01/1352239001.db2.gz FSFURJXGRGMCLX-UHFFFAOYSA-N -2 0 335.385 2.407 20 0 EEADRL Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc(C(=O)[O-])cn1 ZINC001610536227 1352240983 /nfs/dbraw/zinc/24/09/83/1352240983.db2.gz ODCHEUGGHXMMOU-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL Cc1ccc(C(=O)[O-])c(O)c1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC001600345759 1350025219 /nfs/dbraw/zinc/02/52/19/1350025219.db2.gz OMIDTQDRSPKELI-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc(C2CC2)n1 ZINC001600718918 1350120359 /nfs/dbraw/zinc/12/03/59/1350120359.db2.gz YZYHBUPCADGEEN-UHFFFAOYSA-N -2 0 347.396 2.470 20 0 EEADRL Cc1oc(C(=O)[O-])cc1C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001600825720 1350145726 /nfs/dbraw/zinc/14/57/26/1350145726.db2.gz POQXXZZHWPUBDE-STQMWFEESA-N -2 0 329.308 2.329 20 0 EEADRL O=C([O-])C1(CS(=O)(=O)[N-]c2scnc2C2CC2)CCCC1 ZINC001601717216 1350346846 /nfs/dbraw/zinc/34/68/46/1350346846.db2.gz LIYFUTOUCMPTMF-UHFFFAOYSA-N -2 0 330.431 2.407 20 0 EEADRL O=C([O-])C[C@@H]1CCCN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C1 ZINC001601952395 1350404431 /nfs/dbraw/zinc/40/44/31/1350404431.db2.gz QYHNQBQTLQSKOF-QMMMGPOBSA-N -2 0 342.298 2.382 20 0 EEADRL O=C([O-])CCCC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001601979580 1350410292 /nfs/dbraw/zinc/41/02/92/1350410292.db2.gz FLOZZCRGEOLOMS-UHFFFAOYSA-N -2 0 331.324 2.497 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2ccnn2C2CCCC2)c1 ZINC001602558989 1350545841 /nfs/dbraw/zinc/54/58/41/1350545841.db2.gz JANMZNCREPTSCH-UHFFFAOYSA-N -2 0 325.346 2.090 20 0 EEADRL O=Cc1ccc(-c2ccc(C(=O)NCCCCC(=O)[O-])c([O-])c2)o1 ZINC001602666049 1350569258 /nfs/dbraw/zinc/56/92/58/1350569258.db2.gz XAYYJKIQUPLDDJ-UHFFFAOYSA-N -2 0 331.324 2.449 20 0 EEADRL C[C@H](C(=O)[O-])[C@H](NS(=O)(=O)c1ccccc1[O-])c1ccccc1 ZINC001603191431 1350659686 /nfs/dbraw/zinc/65/96/86/1350659686.db2.gz RHAUERNRXHECSL-NHYWBVRUSA-N -2 0 335.381 2.133 20 0 EEADRL CC(C)(C(=O)[N-]OCCCC(=O)[O-])c1cccc(C(F)(F)F)n1 ZINC001603239289 1350669080 /nfs/dbraw/zinc/66/90/80/1350669080.db2.gz ZFTKCIWGIXVRBS-UHFFFAOYSA-N -2 0 334.294 2.291 20 0 EEADRL CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])c(F)c2)c1 ZINC001604041868 1350837309 /nfs/dbraw/zinc/83/73/09/1350837309.db2.gz RGWSSOOOAIPEQI-UHFFFAOYSA-N -2 0 341.364 2.031 20 0 EEADRL CC(C)(C(=O)[O-])[C@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccccc1 ZINC001604499042 1350949581 /nfs/dbraw/zinc/94/95/81/1350949581.db2.gz NHQDJAGFJAFDAZ-ACJLOTCBSA-N -2 0 348.399 2.345 20 0 EEADRL CCC1(C(=O)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCC1 ZINC001605133046 1351084479 /nfs/dbraw/zinc/08/44/79/1351084479.db2.gz BQYPPPNZBCKPGV-UHFFFAOYSA-N -2 0 347.339 2.048 20 0 EEADRL CC[C@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001605164141 1351093036 /nfs/dbraw/zinc/09/30/36/1351093036.db2.gz RXCOQACSMDANCB-GXFFZTMASA-N -2 0 325.386 2.016 20 0 EEADRL CCCCc1nnc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)o1 ZINC001605292883 1351127453 /nfs/dbraw/zinc/12/74/53/1351127453.db2.gz JHYOEBAWBZCRNF-UHFFFAOYSA-N -2 0 343.336 2.050 20 0 EEADRL COCc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])s1 ZINC001606969122 1351387781 /nfs/dbraw/zinc/38/77/81/1351387781.db2.gz ZPTMWXZTQAXYQU-UHFFFAOYSA-N -2 0 327.383 2.394 20 0 EEADRL COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c1C ZINC001607325905 1351474639 /nfs/dbraw/zinc/47/46/39/1351474639.db2.gz LEHJWUUZNNTKGY-UHFFFAOYSA-N -2 0 325.342 2.404 20 0 EEADRL Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC001607492559 1351504301 /nfs/dbraw/zinc/50/43/01/1351504301.db2.gz QPZXAFYVMPBTIE-HJWRWDBZSA-N -2 0 348.380 2.060 20 0 EEADRL CCOC(=O)c1cc2c(ccc(NCCOP(=O)([O-])[O-])c2C)o1 ZINC001168595706 791036436 /nfs/dbraw/zinc/03/64/36/791036436.db2.gz LPFVTFWTFIDCSB-UHFFFAOYSA-N -2 0 343.272 2.439 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(C(F)F)cc2F)C1 ZINC000910184802 786516863 /nfs/dbraw/zinc/51/68/63/786516863.db2.gz WEXXUVGQWDRWSG-KCJUWKMLSA-N -2 0 345.273 2.153 20 0 EEADRL Cc1ccc(CCC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c(C)c1 ZINC000910188987 786521501 /nfs/dbraw/zinc/52/15/01/786521501.db2.gz OOAXLSYCTFMWSW-GJZGRUSLSA-N -2 0 333.384 2.012 20 0 EEADRL O=C(Nc1cnc(C2CC2)s1)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148917836 792783978 /nfs/dbraw/zinc/78/39/78/792783978.db2.gz ZRHHRFDIJXOERW-UHFFFAOYSA-N -2 0 340.382 2.225 20 0 EEADRL O=C([O-])c1cc(Nc2csc(N3CCOCC3)n2)cc(C(=O)[O-])c1 ZINC001176239576 798391018 /nfs/dbraw/zinc/39/10/18/798391018.db2.gz PVAGBQAGURMJHW-UHFFFAOYSA-N -2 0 349.368 2.120 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2noc3cccnc32)cc1C(=O)[O-] ZINC001184652742 802117996 /nfs/dbraw/zinc/11/79/96/802117996.db2.gz GIUAAXQVUXJKLH-UHFFFAOYSA-N -2 0 333.325 2.030 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cccc3c2C(=O)OC3)cc1C(=O)[O-] ZINC001184703401 802138622 /nfs/dbraw/zinc/13/86/22/802138622.db2.gz LKWAOKBDHOPATG-UHFFFAOYSA-N -2 0 347.348 2.164 20 0 EEADRL COc1ccc2c(c1)C[C@H](Nc1ccc(P(=O)([O-])[O-])cc1)CC2 ZINC001170417289 809954020 /nfs/dbraw/zinc/95/40/20/809954020.db2.gz NKSWJCRMTRZWED-OAHLLOKOSA-N -2 0 333.324 2.468 20 0 EEADRL O=P([O-])([O-])OCCNC(F)(F)c1cnc(Cl)c(Cl)c1 ZINC001157788006 810360171 /nfs/dbraw/zinc/36/01/71/810360171.db2.gz VVNDMQHBDURTSH-UHFFFAOYSA-N -2 0 337.046 2.137 20 0 EEADRL O=C([O-])C1(c2ccc(S(=O)(=O)Nc3cccc(O)c3)cc2)CC1 ZINC000321647677 970793191 /nfs/dbraw/zinc/79/31/91/970793191.db2.gz CRERGKQTWIIRLQ-UHFFFAOYSA-N -2 0 333.365 2.309 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3[nH]2)cc1C(=O)[O-] ZINC000324774913 971156115 /nfs/dbraw/zinc/15/61/15/971156115.db2.gz YHFQILONGPEOKM-UHFFFAOYSA-N -2 0 347.352 2.071 20 0 EEADRL CC[C@H](C(=O)[O-])N(C)C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001589440716 954707771 /nfs/dbraw/zinc/70/77/71/954707771.db2.gz HJVFNMYNEZPORG-LLVKDONJSA-N -2 0 337.763 2.167 20 0 EEADRL O=C([O-])C/N=C/c1cc(Br)cc(Br)c1[O-] ZINC000005670211 956872797 /nfs/dbraw/zinc/87/27/97/956872797.db2.gz GKOLBGLFELYTOI-KGVSQERTSA-N -2 0 336.967 2.421 20 0 EEADRL O=C([O-])c1ccc(C([O-])=CS(=O)(=O)c2ccccc2Cl)o1 ZINC001571181154 962160437 /nfs/dbraw/zinc/16/04/37/962160437.db2.gz IKZBEDSWJCPDNW-UHFFFAOYSA-N -2 0 328.729 2.288 20 0 EEADRL COCCN(CCC(=O)[O-])C(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001574156445 962676222 /nfs/dbraw/zinc/67/62/22/962676222.db2.gz IMMNYBIDJUJAOV-UHFFFAOYSA-N -2 0 336.171 2.262 20 0 EEADRL CCC(CC)(C(=O)[O-])C(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-] ZINC001595047611 979257227 /nfs/dbraw/zinc/25/72/27/979257227.db2.gz AUIFSVGTNJYEIK-AWEZNQCLSA-N -2 0 335.400 2.246 20 0 EEADRL CCCc1cc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])n(C)n1 ZINC001596058095 983364531 /nfs/dbraw/zinc/36/45/31/983364531.db2.gz GKFUGHMIWDWMRZ-UHFFFAOYSA-N -2 0 337.401 2.180 20 0 EEADRL C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)CC1 ZINC001599908578 984955091 /nfs/dbraw/zinc/95/50/91/984955091.db2.gz FISBGBXKLMOLEM-KYZUINATSA-N -2 0 331.415 2.078 20 0 EEADRL CCO[C@@H]1C[C@](NC(=O)c2cc(F)cc(F)c2[O-])(C(=O)[O-])C1(C)C ZINC001596828538 985448751 /nfs/dbraw/zinc/44/87/51/985448751.db2.gz OSDGYVPBEDMPKK-BZNIZROVSA-N -2 0 343.326 2.059 20 0 EEADRL CC(C)(C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001589574641 987347298 /nfs/dbraw/zinc/34/72/98/987347298.db2.gz BQFSHBSSUDFYBV-UHFFFAOYSA-N -2 0 347.392 2.168 20 0 EEADRL CC[C@@H](NC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1ccccc1 ZINC001597286082 987365197 /nfs/dbraw/zinc/36/51/97/987365197.db2.gz KLEKEUULTMKYKH-MCIONIFRSA-N -2 0 334.372 2.097 20 0 EEADRL CC(C)(C(=O)[O-])C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC001589588663 987385126 /nfs/dbraw/zinc/38/51/26/987385126.db2.gz DKBQTMZGHFLHOE-UHFFFAOYSA-N -2 0 348.380 2.487 20 0 EEADRL CC(C)(C(=O)[O-])[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001589597774 987416837 /nfs/dbraw/zinc/41/68/37/987416837.db2.gz BNUKDROLBNUVHL-HZSPNIEDSA-N -2 0 333.384 2.456 20 0 EEADRL CCc1cc(NC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])ccc1C ZINC001597481207 987966657 /nfs/dbraw/zinc/96/66/57/987966657.db2.gz AFWSHXGWUJAAQF-OCCSQVGLSA-N -2 0 334.372 2.339 20 0 EEADRL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccsc1C(=O)[O-] ZINC001597718592 988994510 /nfs/dbraw/zinc/99/45/10/988994510.db2.gz VTTKELNEHGEOCN-UHFFFAOYSA-N -2 0 343.430 2.105 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OC)c1O ZINC001597791316 989320740 /nfs/dbraw/zinc/32/07/40/989320740.db2.gz PSDJNTDQFQCURU-UHFFFAOYSA-N -2 0 341.341 2.055 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OC)c1 ZINC001597791728 989325429 /nfs/dbraw/zinc/32/54/29/989325429.db2.gz RLXHKDYMIBFMAA-UHFFFAOYSA-N -2 0 325.342 2.350 20 0 EEADRL CC(C)Cc1ncc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cn1 ZINC001591496780 992630048 /nfs/dbraw/zinc/63/00/48/992630048.db2.gz JSSZDKNMGASORP-UHFFFAOYSA-N -2 0 335.385 2.174 20 0 EEADRL COc1cccc([N-]S(=O)(=O)CC2(C(=O)[O-])CCCCC2)c1O ZINC001599679903 994962292 /nfs/dbraw/zinc/96/22/92/994962292.db2.gz NQWNMMZSFZYRSE-UHFFFAOYSA-N -2 0 343.401 2.178 20 0 EEADRL COCc1ccccc1S(=O)(=O)[N-]c1nc(C)c(C(=O)[O-])s1 ZINC001599296222 997147511 /nfs/dbraw/zinc/14/75/11/997147511.db2.gz GKMMEUKBZKZNOM-UHFFFAOYSA-N -2 0 342.398 2.097 20 0 EEADRL CON(C(=O)c1ccc(Br)cc1[O-])[C@H](C)CC(=O)[O-] ZINC001599311157 997416705 /nfs/dbraw/zinc/41/67/05/997416705.db2.gz JGGAGIRDGHPCBU-SSDOTTSWSA-N -2 0 332.150 2.022 20 0 EEADRL COCCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)cc1 ZINC001599263412 998426631 /nfs/dbraw/zinc/42/66/31/998426631.db2.gz GRWPXASJWKZFER-UHFFFAOYSA-N -2 0 341.410 2.436 20 0 EEADRL CCC(CC)(CNC(=O)c1nn(-c2ccccc2)cc1[O-])C(=O)[O-] ZINC000424240425 282118170 /nfs/dbraw/zinc/11/81/70/282118170.db2.gz GAQZCOLPEZGRSE-UHFFFAOYSA-N -2 0 331.372 2.199 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cn2)ccc1F ZINC000020302117 212118221 /nfs/dbraw/zinc/11/82/21/212118221.db2.gz ZXBCIRAUVZKDNI-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000267888605 256094164 /nfs/dbraw/zinc/09/41/64/256094164.db2.gz SQJATGFQNYZDFG-LBPRGKRZSA-N -2 0 343.401 2.094 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cnc(CC(C)C)nc1 ZINC000355891534 153188827 /nfs/dbraw/zinc/18/88/27/153188827.db2.gz YFVNBHSAFJGKKM-UHFFFAOYSA-N -2 0 349.412 2.483 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1C(=O)[O-] ZINC000360211654 164258916 /nfs/dbraw/zinc/25/89/16/164258916.db2.gz JIMBDQNHQDLJJB-UHFFFAOYSA-N -3 0 339.325 2.094 20 0 EEADRL CN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000360510353 164326576 /nfs/dbraw/zinc/32/65/76/164326576.db2.gz HGXNLROYBZKVGU-UHFFFAOYSA-N -2 0 325.317 2.055 20 0 EEADRL CCCCn1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1C ZINC000160190368 311350978 /nfs/dbraw/zinc/35/09/78/311350978.db2.gz PVUMPHIHSMSZIN-UHFFFAOYSA-N -2 0 337.401 2.491 20 0 EEADRL O=C([O-])CCCCCNC(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000417780212 313595376 /nfs/dbraw/zinc/59/53/76/313595376.db2.gz CJZJFWQZZKUGAV-UHFFFAOYSA-N -2 0 340.430 2.455 20 0 EEADRL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3O)ccc2O1 ZINC000436997599 315022207 /nfs/dbraw/zinc/02/22/07/315022207.db2.gz WRLCBIUZHDCPPB-VIFPVBQESA-N -2 0 349.364 2.215 20 0 EEADRL CC[C@@H](C)c1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cn1 ZINC000358492530 465156294 /nfs/dbraw/zinc/15/62/94/465156294.db2.gz CIMIJXDXBRUZHO-SNVBAGLBSA-N -2 0 335.385 2.489 20 0 EEADRL COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000064479077 462705918 /nfs/dbraw/zinc/70/59/18/462705918.db2.gz RKKVQMHWQUGIRT-UHFFFAOYSA-N -2 0 338.366 2.127 20 0 EEADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000096744467 463298307 /nfs/dbraw/zinc/29/83/07/463298307.db2.gz MMOAGORODWQRPU-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]CCCC(F)(F)F)c1 ZINC000281687624 464548355 /nfs/dbraw/zinc/54/83/55/464548355.db2.gz AWDPUGKDFQCCIH-UHFFFAOYSA-N -2 0 347.261 2.284 20 0 EEADRL Cn1ccc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)c21 ZINC000190854440 464733705 /nfs/dbraw/zinc/73/37/05/464733705.db2.gz OFWWIEASRQBXRU-UHFFFAOYSA-N -2 0 333.369 2.016 20 0 EEADRL CCCc1nc(=NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])s[n-]1 ZINC000339929280 465609286 /nfs/dbraw/zinc/60/92/86/465609286.db2.gz PZBGHLCHEBLBNT-UHFFFAOYSA-N -2 0 347.375 2.195 20 0 EEADRL O=C([O-])c1cccc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC000362306177 465643838 /nfs/dbraw/zinc/64/38/38/465643838.db2.gz RBKFPSDXYAXCON-UHFFFAOYSA-N -2 0 339.300 2.023 20 0 EEADRL CCC[C@H](NC(=O)c1cccc(C(F)(F)F)c1[O-])c1nnn[n-]1 ZINC000654870674 471208885 /nfs/dbraw/zinc/20/88/85/471208885.db2.gz KDQKSOZSSYXTQT-VIFPVBQESA-N -2 0 329.282 2.195 20 0 EEADRL CCC[C@@H](NC(=O)c1cccc(C(F)(F)F)c1[O-])c1nnn[n-]1 ZINC000654870673 471209253 /nfs/dbraw/zinc/20/92/53/471209253.db2.gz KDQKSOZSSYXTQT-SECBINFHSA-N -2 0 329.282 2.195 20 0 EEADRL CC(C)C[C@H](CNC(=O)NCc1cccc(C(=O)[O-])c1)CC(=O)[O-] ZINC000659407065 471610584 /nfs/dbraw/zinc/61/05/84/471610584.db2.gz CTMXXLKNIDETQP-ZDUSSCGKSA-N -2 0 336.388 2.321 20 0 EEADRL C[C@H](CNC(=O)N=c1[n-]nc(C(C)(C)c2ccccc2)s1)C(=O)[O-] ZINC000653538640 471656827 /nfs/dbraw/zinc/65/68/27/471656827.db2.gz BQRYHTMVZXCMFQ-SNVBAGLBSA-N -2 0 348.428 2.128 20 0 EEADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000663058604 472343790 /nfs/dbraw/zinc/34/37/90/472343790.db2.gz VYTAOKSQJGOODY-RDBSUJKOSA-N -2 0 333.384 2.060 20 0 EEADRL CC(C)Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)cc1 ZINC000776427746 577459661 /nfs/dbraw/zinc/45/96/61/577459661.db2.gz SBXBPDADOHQQAU-UHFFFAOYSA-N -2 0 337.401 2.118 20 0 EEADRL Cc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000738945429 578032014 /nfs/dbraw/zinc/03/20/14/578032014.db2.gz VKPGGUGGNRHJOX-UHFFFAOYSA-N -2 0 332.284 2.069 20 0 EEADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000740248937 578087386 /nfs/dbraw/zinc/08/73/86/578087386.db2.gz MNLQJPKJWAKFJV-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL COCc1csc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)n1 ZINC000737836830 578270557 /nfs/dbraw/zinc/27/05/57/578270557.db2.gz WQGOHIZQCKRHSG-UHFFFAOYSA-N -2 0 342.398 2.097 20 0 EEADRL C/C(=C/C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)C(C)(C)C ZINC000825723971 600943041 /nfs/dbraw/zinc/94/30/41/600943041.db2.gz FXRGROLGVVNTGF-LUAWRHEFSA-N -2 0 339.413 2.323 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nc3c(s2)CCCCC3)c[nH]1 ZINC000833306170 600977329 /nfs/dbraw/zinc/97/73/29/600977329.db2.gz IRKPDRRNBRNNAO-UHFFFAOYSA-N -2 0 341.414 2.239 20 0 EEADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2cnc3ccsc3c2)c1 ZINC000833335194 601501416 /nfs/dbraw/zinc/50/14/16/601501416.db2.gz QXSLEWFMOVSXPD-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL CCCCc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)s1 ZINC000829440018 601502460 /nfs/dbraw/zinc/50/24/60/601502460.db2.gz HZDJENUXJZGEQX-UHFFFAOYSA-N -2 0 345.402 2.281 20 0 EEADRL CCCCC[C@@H](NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)C(=O)[O-] ZINC000829326717 601748055 /nfs/dbraw/zinc/74/80/55/601748055.db2.gz OVHYAYJERCLFEG-CQSZACIVSA-N -2 0 345.399 2.237 20 0 EEADRL Cc1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cn1 ZINC000833009967 601841228 /nfs/dbraw/zinc/84/12/28/601841228.db2.gz UEYMZHNSKHUBNQ-UHFFFAOYSA-N -2 0 345.739 2.077 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c(C)n1 ZINC000832413403 601851891 /nfs/dbraw/zinc/85/18/91/601851891.db2.gz VEPNMPULXDZEKZ-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2nnc(CCCC(=O)[O-])s2)c1 ZINC000832972825 602105910 /nfs/dbraw/zinc/10/59/10/602105910.db2.gz NNZHHABREHVESB-UHFFFAOYSA-N -2 0 341.414 2.055 20 0 EEADRL CC(C)CCn1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)n1 ZINC000826865312 602201465 /nfs/dbraw/zinc/20/14/65/602201465.db2.gz LSVOHGDWOZIDNH-UHFFFAOYSA-N -2 0 343.430 2.490 20 0 EEADRL CCCc1cc([N-]S(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)n[nH]1 ZINC000322212971 602305293 /nfs/dbraw/zinc/30/52/93/602305293.db2.gz QIJDYVQGRXBGCH-RMKNXTFCSA-N -2 0 335.385 2.261 20 0 EEADRL CCc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000833679890 604505305 /nfs/dbraw/zinc/50/53/05/604505305.db2.gz ZZVWTVBJGNWZCK-UHFFFAOYSA-N -2 0 346.311 2.323 20 0 EEADRL Cc1cc(F)cc(S(=O)(=O)[N-]c2nc(CCC(=O)[O-])cs2)c1 ZINC000832887758 604625451 /nfs/dbraw/zinc/62/54/51/604625451.db2.gz DNPILODIHOLJBH-UHFFFAOYSA-N -2 0 344.389 2.409 20 0 EEADRL Cc1nc(C)c([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])s1 ZINC000833754674 604745547 /nfs/dbraw/zinc/74/55/47/604745547.db2.gz BQBJFAKKRCWUIU-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL COCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)cc1 ZINC000833725634 605302358 /nfs/dbraw/zinc/30/23/58/605302358.db2.gz CDDPKBTVBWEMIF-UHFFFAOYSA-N -2 0 327.383 2.394 20 0 EEADRL CC[C@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000833638716 605679975 /nfs/dbraw/zinc/67/99/75/605679975.db2.gz OGPUHJPDZGJYNP-QWRGUYRKSA-N -2 0 327.402 2.013 20 0 EEADRL COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000322436248 692038256 /nfs/dbraw/zinc/03/82/56/692038256.db2.gz CWJJLIPNPDOEIN-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)[C@H](c1ccccc1)C(C)C ZINC000863962529 1197939182 /nfs/dbraw/zinc/93/91/82/1197939182.db2.gz NXIPOANHSCQQDK-KBPBESRZSA-N -2 0 341.429 2.187 20 0 EEADRL COc1c(F)cccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186133283 1278963870 /nfs/dbraw/zinc/96/38/70/1278963870.db2.gz CFHOQQIBDIAJHY-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1O ZINC001198783126 1285329486 /nfs/dbraw/zinc/32/94/86/1285329486.db2.gz WINPNHITXVORTM-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL CCOC(=O)[C@H]1CC[C@@H](Oc2ccc(OP(=O)([O-])[O-])cc2)C1 ZINC001234337172 1304885800 /nfs/dbraw/zinc/88/58/00/1304885800.db2.gz XYMTVPHEQYJLIS-GXFFZTMASA-N -2 0 330.273 2.269 20 0 EEADRL CCOC(=O)Cc1ncccc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242162084 1309623716 /nfs/dbraw/zinc/62/37/16/1309623716.db2.gz CTVSMCWNRMCUTC-UHFFFAOYSA-N -2 0 329.308 2.251 20 0 EEADRL COC(=O)Cc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(OC)c1 ZINC001242162634 1309623825 /nfs/dbraw/zinc/62/38/25/1309623825.db2.gz HUCSEWXHIIMCLZ-UHFFFAOYSA-N -2 0 344.319 2.474 20 0 EEADRL COc1ccc(OC)c(-c2cc(=O)n(-c3ncccc3C(=O)[O-])[n-]2)c1 ZINC001245950911 1310194759 /nfs/dbraw/zinc/19/47/59/1310194759.db2.gz HOHREQPESVLOOF-UHFFFAOYSA-N -2 0 341.323 2.355 20 0 EEADRL COC(=O)c1cncc(-c2cc(=O)n(-c3cccc(C(=O)[O-])c3)[n-]2)c1 ZINC001245947129 1310195176 /nfs/dbraw/zinc/19/51/76/1310195176.db2.gz QZLFNXBQCHCZDH-UHFFFAOYSA-N -2 0 339.307 2.125 20 0 EEADRL COCc1ccc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)nc1 ZINC001157158884 1318447104 /nfs/dbraw/zinc/44/71/04/1318447104.db2.gz DWKVRDPVHAMFTD-UHFFFAOYSA-N -2 0 334.312 2.313 20 0 EEADRL CSc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)ccn1 ZINC001260210435 1319833132 /nfs/dbraw/zinc/83/31/32/1319833132.db2.gz LCIOHRDILWEEGN-UHFFFAOYSA-N -2 0 342.373 2.442 20 0 EEADRL COc1cccc(C#N)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000392415844 1323162819 /nfs/dbraw/zinc/16/28/19/1323162819.db2.gz IZTIXDQDSWHSHD-UHFFFAOYSA-N -2 0 346.364 2.374 20 0 EEADRL O=C([O-])c1nsc([N-]C(=O)c2cc(-c3ccccc3F)on2)n1 ZINC001608525314 1351709485 /nfs/dbraw/zinc/70/94/85/1351709485.db2.gz SILDDFPTIVYMET-UHFFFAOYSA-N -2 0 334.288 2.283 20 0 EEADRL O=C([O-])[C@@H](CC1CCCCC1)NS(=O)(=O)c1ccccc1[O-] ZINC001608530989 1351710862 /nfs/dbraw/zinc/71/08/62/1351710862.db2.gz AJRMERHAPCJUIA-GFCCVEGCSA-N -2 0 327.402 2.094 20 0 EEADRL O=C([O-])[C@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1ccc2ccccc2c1 ZINC001608544059 1351713344 /nfs/dbraw/zinc/71/33/44/1351713344.db2.gz FPFGMHYVBCSMKD-RBSFLKMASA-N -2 0 327.336 2.193 20 0 EEADRL CCCCCCC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001605261730 1351118300 /nfs/dbraw/zinc/11/83/00/1351118300.db2.gz IUXKGCAGJLLTOU-UHFFFAOYSA-N -2 0 327.402 2.301 20 0 EEADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(C)C)[nH]n1 ZINC001607660792 1351534713 /nfs/dbraw/zinc/53/47/13/1351534713.db2.gz BYYWZLYPAMEGLW-UHFFFAOYSA-N -2 0 341.364 2.480 20 0 EEADRL O=C([O-])[C@@H]1CCN(C(=O)c2cc(F)ccc2O)[C@@H]([C@@H]2CCCO2)C1 ZINC001608632948 1351730183 /nfs/dbraw/zinc/73/01/83/1351730183.db2.gz HJVGPKHVAYLPKJ-YVLXSGLVSA-N -2 0 337.347 2.016 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc([C@H]3CCOC3)cc2)o1 ZINC001608913528 1351792512 /nfs/dbraw/zinc/79/25/12/1351792512.db2.gz XAUUKUWYZDZLJJ-NSHDSACASA-N -2 0 337.353 2.283 20 0 EEADRL O=C([O-])c1cncc(S(=O)(=O)[N-]c2ccc3ncsc3c2)c1 ZINC001608983020 1351807773 /nfs/dbraw/zinc/80/77/73/1351807773.db2.gz JWJCHFCXMBJKKM-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL O=C([O-])c1cncc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)c1 ZINC001608982934 1351807943 /nfs/dbraw/zinc/80/79/43/1351807943.db2.gz FZNSHXOFLOLDEX-UHFFFAOYSA-N -2 0 345.336 2.236 20 0 EEADRL CC(C)CCc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n[nH]1 ZINC001609696660 1352062157 /nfs/dbraw/zinc/06/21/57/1352062157.db2.gz CMKUDNSDAUJVFD-UHFFFAOYSA-N -2 0 337.401 2.497 20 0 EEADRL CC(C)CCn1nccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001609697086 1352062195 /nfs/dbraw/zinc/06/21/95/1352062195.db2.gz RTHUMYRHDQWOGT-UHFFFAOYSA-N -2 0 337.401 2.428 20 0 EEADRL C[C@](NC(=O)c1cc(Br)c(F)cc1[O-])(C(=O)[O-])C1CC1 ZINC001609768107 1352080395 /nfs/dbraw/zinc/08/03/95/1352080395.db2.gz KUDRRQIYIADVNN-CYBMUJFWSA-N -2 0 346.152 2.277 20 0 EEADRL CCC(CC)[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001609917628 1352119044 /nfs/dbraw/zinc/11/90/44/1352119044.db2.gz REIXNXUXYYQBGC-JTQLQIEISA-N -2 0 327.402 2.262 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nnc(C(C)(C)C)o1 ZINC001610078718 1352157059 /nfs/dbraw/zinc/15/70/59/1352157059.db2.gz DPBSIRBIXBPDBV-UHFFFAOYSA-N -2 0 343.361 2.022 20 0 EEADRL COc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)CCC(=O)[O-] ZINC001610297369 1352201518 /nfs/dbraw/zinc/20/15/18/1352201518.db2.gz CIRITBRTQGDPAC-UHFFFAOYSA-N -2 0 328.173 2.218 20 0 EEADRL Cc1cc(Cl)cc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)c1O ZINC001610465846 1352227218 /nfs/dbraw/zinc/22/72/18/1352227218.db2.gz YPIZPSLBFFLKNW-UHFFFAOYSA-N -2 0 342.760 2.248 20 0 EEADRL Cc1cc(Cl)c(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])cc1C ZINC001600216788 1349995202 /nfs/dbraw/zinc/99/52/02/1349995202.db2.gz JUUVOPVGCWZHSS-VHSXEESVSA-N -2 0 347.820 2.126 20 0 EEADRL Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)[O-])c(C(=O)[O-])c1 ZINC001600464058 1350058087 /nfs/dbraw/zinc/05/80/87/1350058087.db2.gz QVILGPRKKYIEQN-UHFFFAOYSA-N -2 0 341.366 2.254 20 0 EEADRL Cc1noc(C)c1S(=O)(=O)[N-]c1nc(C(C)C)c(C(=O)[O-])s1 ZINC001600809793 1350141781 /nfs/dbraw/zinc/14/17/81/1350141781.db2.gz NNYJFRRTEVUIGR-UHFFFAOYSA-N -2 0 345.402 2.370 20 0 EEADRL O=C([O-])c1ccc(F)c(NC(=O)C[C@]2(C(=O)[O-])CCSC2)c1 ZINC001601245650 1350240812 /nfs/dbraw/zinc/24/08/12/1350240812.db2.gz UVCICKRAWGXNQU-CQSZACIVSA-N -2 0 327.333 2.060 20 0 EEADRL O=C([O-])C[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC001601958781 1350405889 /nfs/dbraw/zinc/40/58/89/1350405889.db2.gz DZBOQZJHMYFICC-MRVPVSSYSA-N -2 0 334.155 2.015 20 0 EEADRL O=C([O-])CCCCNC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001601988491 1350411505 /nfs/dbraw/zinc/41/15/05/1350411505.db2.gz VMNXBKUPPJDCRB-UHFFFAOYSA-N -2 0 337.763 2.216 20 0 EEADRL O=C([O-])CCCOc1ccc([N-]S(=O)(=O)c2ccco2)cc1 ZINC001601998313 1350414533 /nfs/dbraw/zinc/41/45/33/1350414533.db2.gz WMZWRCZFUIALJN-UHFFFAOYSA-N -2 0 325.342 2.324 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001602212993 1350467293 /nfs/dbraw/zinc/46/72/93/1350467293.db2.gz HKITUGOIMFDNLX-MGCOHNPYSA-N -2 0 345.804 2.036 20 0 EEADRL O=C([O-])c1cnc(S(=O)(=O)Cc2cc(Cl)ccc2Cl)[n-]1 ZINC001602233906 1350471403 /nfs/dbraw/zinc/47/14/03/1350471403.db2.gz JWRGFJRPUAGLGS-UHFFFAOYSA-N -2 0 335.168 2.389 20 0 EEADRL O=C([O-])c1ccc(NC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1Cl ZINC001602376445 1350506590 /nfs/dbraw/zinc/50/65/90/1350506590.db2.gz CKSMNHKNUINWBH-QMMMGPOBSA-N -2 0 326.736 2.367 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cn2)c1 ZINC001602452423 1350522337 /nfs/dbraw/zinc/52/23/37/1350522337.db2.gz AAMIHBPBCBPFSI-UHFFFAOYSA-N -2 0 344.295 2.182 20 0 EEADRL CC(C)n1cc(S(=O)(=O)[N-]c2cccc([C@@H](C)C(=O)[O-])c2)cn1 ZINC001603221458 1350664727 /nfs/dbraw/zinc/66/47/27/1350664727.db2.gz MEQWPHOZVWUJFW-LLVKDONJSA-N -2 0 337.401 2.453 20 0 EEADRL CC(C)(C)c1nc([N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)no1 ZINC001603556849 1350719229 /nfs/dbraw/zinc/71/92/29/1350719229.db2.gz NBPURVNTOJUOQE-UHFFFAOYSA-N -2 0 339.373 2.007 20 0 EEADRL CC1(C)CC(C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2C(=O)[O-])C1 ZINC001604513242 1350952736 /nfs/dbraw/zinc/95/27/36/1350952736.db2.gz MMIPEYKTPBROHV-UHFFFAOYSA-N -2 0 345.804 2.279 20 0 EEADRL CCCO[N-]C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1C(=O)[O-] ZINC001605337054 1351140084 /nfs/dbraw/zinc/14/00/84/1351140084.db2.gz BINWXOPILGJZMV-UHFFFAOYSA-N -2 0 335.143 2.088 20 0 EEADRL CCCc1c(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)[nH]c(C)c1C(=O)[O-] ZINC001605364017 1351144830 /nfs/dbraw/zinc/14/48/30/1351144830.db2.gz GQSVDWKECQORQB-GFCCVEGCSA-N -2 0 336.388 2.205 20 0 EEADRL Cc1c(C(=O)[O-])csc1NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC001607521190 1351510003 /nfs/dbraw/zinc/51/00/03/1351510003.db2.gz DCANCVCYUURTEL-UHFFFAOYSA-N -2 0 345.336 2.350 20 0 EEADRL Cc1ccc([C@H]([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])C(F)(F)F)o1 ZINC001607759245 1351553461 /nfs/dbraw/zinc/55/34/61/1351553461.db2.gz ALQHIRRJLMOOGW-VIFPVBQESA-N -2 0 343.323 2.222 20 0 EEADRL CC(C)(C)c1nnc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])s1 ZINC001198730154 1368641763 /nfs/dbraw/zinc/64/17/63/1368641763.db2.gz HKKOCWJDFCEXLR-UHFFFAOYSA-N -2 0 341.414 2.335 20 0 EEADRL CC(C)(C)C(=O)Nc1cc(F)ccc1NCCOP(=O)([O-])[O-] ZINC001168592780 790831923 /nfs/dbraw/zinc/83/19/23/790831923.db2.gz YABZBDQQBSYROP-UHFFFAOYSA-N -2 0 334.284 2.332 20 0 EEADRL Cc1cc(C)c(/C=C\C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1C ZINC000910184052 786515871 /nfs/dbraw/zinc/51/58/71/786515871.db2.gz PXWBOVASFLIFOM-WUWHRIRESA-N -2 0 345.395 2.401 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cccc(Cl)c2Cl)C1 ZINC000910184829 786516290 /nfs/dbraw/zinc/51/62/90/786516290.db2.gz FVMPMJLFSRGEIQ-XVKPBYJWSA-N -2 0 346.166 2.383 20 0 EEADRL COC(=O)c1cccc([C@H](C)Nc2ccc(P(=O)([O-])[O-])cc2)c1 ZINC001171107339 788869979 /nfs/dbraw/zinc/86/99/79/788869979.db2.gz FJUGQVPCNHGWRQ-NSHDSACASA-N -2 0 335.296 2.449 20 0 EEADRL CCOC(=O)c1cncc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176236167 798389690 /nfs/dbraw/zinc/38/96/90/798389690.db2.gz FRDTYLVGKXXTOY-UHFFFAOYSA-N -2 0 330.296 2.398 20 0 EEADRL COC(=O)c1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cnc1OC ZINC001176236605 798390259 /nfs/dbraw/zinc/39/02/59/798390259.db2.gz AOGSMEQNTBACTE-UHFFFAOYSA-N -2 0 346.295 2.017 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cnc3cccc(C)n23)cc1C(=O)[O-] ZINC001184668350 802126738 /nfs/dbraw/zinc/12/67/38/802126738.db2.gz RYPRTJFIEXSKFZ-UHFFFAOYSA-N -2 0 345.380 2.450 20 0 EEADRL O=C([O-])/C=C\c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000324194182 971095170 /nfs/dbraw/zinc/09/51/70/971095170.db2.gz RQXWBUROFWBPOE-TWGQIWQCSA-N -2 0 348.336 2.493 20 0 EEADRL O=C([O-])c1ccc(CNS(=O)(=O)c2cccc(Cl)c2[O-])cc1 ZINC001595232676 949365655 /nfs/dbraw/zinc/36/56/55/949365655.db2.gz UQQHWQXTSNZLFY-UHFFFAOYSA-N -2 0 341.772 2.222 20 0 EEADRL C[C@H](CN(C)C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C(=O)[O-] ZINC001589033205 955536028 /nfs/dbraw/zinc/53/60/28/955536028.db2.gz ZGPQMHLULUFDBG-SECBINFHSA-N -2 0 337.763 2.024 20 0 EEADRL O=C([O-])c1cc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])ccc1Cl ZINC000036081532 957224322 /nfs/dbraw/zinc/22/43/22/957224322.db2.gz SWJMEWAPFKPPKK-BCWBERDBSA-N -2 0 335.743 2.500 20 0 EEADRL CC(C)(C(=O)[O-])n1ccc([N-]S(=O)(=O)c2ccccc2Cl)n1 ZINC001588625912 959576753 /nfs/dbraw/zinc/57/67/53/959576753.db2.gz VEFVFTVTVHEUPL-UHFFFAOYSA-N -2 0 343.792 2.157 20 0 EEADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc2c(c1)COC2 ZINC000313734553 963677988 /nfs/dbraw/zinc/67/79/88/963677988.db2.gz BWHIJOYGHWQALD-UHFFFAOYSA-N -2 0 325.367 2.277 20 0 EEADRL Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000314475143 963757607 /nfs/dbraw/zinc/75/76/07/963757607.db2.gz ODUJSGFIOCUHEP-UHFFFAOYSA-N -2 0 342.354 2.464 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCC23CCCCC3)on1 ZINC000315421087 963898898 /nfs/dbraw/zinc/89/88/98/963898898.db2.gz OBMXMNPXQSWAKE-LLVKDONJSA-N -2 0 328.390 2.154 20 0 EEADRL O=C([O-])[C@H]1COCCN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC001606048004 973154387 /nfs/dbraw/zinc/15/43/87/973154387.db2.gz CWUDHTBHILDCMG-CYBMUJFWSA-N -2 0 335.743 2.124 20 0 EEADRL COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccn1 ZINC001604675101 973867167 /nfs/dbraw/zinc/86/71/67/973867167.db2.gz MKKSJKGZKDAWMJ-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)NC3(C(=O)[O-])CCC3)n2)c1 ZINC001591983743 976604285 /nfs/dbraw/zinc/60/42/85/976604285.db2.gz RHLVSWPHPPVHTA-UHFFFAOYSA-N -2 0 343.383 2.438 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2cnn(Cc3ccccc3)c2)c1 ZINC000694147741 976668104 /nfs/dbraw/zinc/66/81/04/976668104.db2.gz HJCQJFVTTLDUPR-UHFFFAOYSA-N -2 0 347.352 2.023 20 0 EEADRL C[C@H](CCC[C@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])s1)C(=O)[O-] ZINC001592478748 978253632 /nfs/dbraw/zinc/25/36/32/978253632.db2.gz YAHUAZBYSXSKGU-BDAKNGLRSA-N -2 0 349.430 2.004 20 0 EEADRL C[C@](CNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)(C(=O)[O-])c1ccccc1 ZINC001592647740 978628891 /nfs/dbraw/zinc/62/88/91/978628891.db2.gz NOHZIJPXFFYWLT-VEVIJQCQSA-N -2 0 333.384 2.036 20 0 EEADRL CC[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001595036464 979196200 /nfs/dbraw/zinc/19/62/00/979196200.db2.gz UASBTFRGKNRBHS-ZDUSSCGKSA-N -2 0 341.429 2.403 20 0 EEADRL C[C@H](Cc1ccc(NC(=O)C(C)(C)SCC(=O)[O-])cc1)C(=O)[O-] ZINC001592858686 979674684 /nfs/dbraw/zinc/67/46/84/979674684.db2.gz UDUWMUVEXPVUHR-SNVBAGLBSA-N -2 0 339.413 2.485 20 0 EEADRL CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000901574861 980389446 /nfs/dbraw/zinc/38/94/46/980389446.db2.gz JETGBFHSSBJEFR-NSHDSACASA-N -2 0 325.405 2.227 20 0 EEADRL CCN(CC(=O)[N-]OCCCC(=O)[O-])Cc1ccccc1Cl ZINC001596206440 983592365 /nfs/dbraw/zinc/59/23/65/983592365.db2.gz AJRKPGPHNQWYTI-UHFFFAOYSA-N -2 0 328.796 2.075 20 0 EEADRL CCO[C@H]1C[C@@](NC(=O)c2cc(F)cc(F)c2[O-])(C(=O)[O-])C1(C)C ZINC001596828540 985448723 /nfs/dbraw/zinc/44/87/23/985448723.db2.gz OSDGYVPBEDMPKK-MEDUHNTESA-N -2 0 343.326 2.059 20 0 EEADRL CCO[C@H]1C[C@](NC(=O)c2ccc(Cl)c([O-])c2)(C(=O)[O-])C1(C)C ZINC001596829272 985454449 /nfs/dbraw/zinc/45/44/49/985454449.db2.gz YDUPOXRYFDLBFL-LRDDRELGSA-N -2 0 341.791 2.434 20 0 EEADRL CC(C)(C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-])C1CC1 ZINC001589574658 987347600 /nfs/dbraw/zinc/34/76/00/987347600.db2.gz CRQGRMJYJZMFNS-UHFFFAOYSA-N -2 0 345.804 2.279 20 0 EEADRL CC(C)(C(=O)[O-])n1cc([N-]S(=O)(=O)c2ccccc2Cl)cn1 ZINC001589670883 987665878 /nfs/dbraw/zinc/66/58/78/987665878.db2.gz JDKYGEDALRJKNS-UHFFFAOYSA-N -2 0 343.792 2.157 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)n1 ZINC001597604849 988484195 /nfs/dbraw/zinc/48/41/95/988484195.db2.gz UMHBJLVCKHHDJL-CYBMUJFWSA-N -2 0 341.367 2.044 20 0 EEADRL CCc1nc([N-]S(=O)(=O)c2ccc(OC)cc2)sc1C(=O)[O-] ZINC001597685551 988837262 /nfs/dbraw/zinc/83/72/62/988837262.db2.gz QMTSHYPEICQBEN-UHFFFAOYSA-N -2 0 342.398 2.213 20 0 EEADRL CCc1nc([N-]S(=O)(=O)c2cccc(F)c2F)sc1C(=O)[O-] ZINC001597685549 988837338 /nfs/dbraw/zinc/83/73/38/988837338.db2.gz QKKBUKCKXFIAFY-UHFFFAOYSA-N -2 0 348.352 2.483 20 0 EEADRL CN(Cc1csc(-c2cccc(C(=O)[O-])c2)n1)Cc1n[n-]c(=O)o1 ZINC001598534088 992827943 /nfs/dbraw/zinc/82/79/43/992827943.db2.gz SULZELLEQUSSFE-UHFFFAOYSA-N -2 0 346.368 2.229 20 0 EEADRL C[C@@]1(C(=O)[O-])CCCN(C(=O)c2cccc(Br)c2[O-])C1 ZINC001593773150 996470616 /nfs/dbraw/zinc/47/06/16/996470616.db2.gz SCDKNHZVKFDGNJ-CQSZACIVSA-N -2 0 342.189 2.482 20 0 EEADRL COc1ccc(C(=O)[O-])c(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC001599489950 996919978 /nfs/dbraw/zinc/91/99/78/996919978.db2.gz PVFYXJHOLIBTFO-JTQLQIEISA-N -2 0 336.344 2.112 20 0 EEADRL CO[C@H](C)c1cccc([N-]S(=O)(=O)c2occc2C(=O)[O-])c1 ZINC001599041214 999118820 /nfs/dbraw/zinc/11/88/20/999118820.db2.gz OXMDWGZZHXXAJA-SECBINFHSA-N -2 0 325.342 2.486 20 0 EEADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)n[nH]1 ZINC000134961176 539435116 /nfs/dbraw/zinc/43/51/16/539435116.db2.gz GQRQBRBBTFDXJO-UHFFFAOYSA-N -2 0 329.403 2.268 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c(O)c1 ZINC000442845514 539957650 /nfs/dbraw/zinc/95/76/50/539957650.db2.gz IBAQMUBWWGJOFX-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c(O)c1 ZINC000442842517 539957699 /nfs/dbraw/zinc/95/76/99/539957699.db2.gz QDXGPCUGECQNFF-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL Cc1ccc(F)cc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000072292846 216128895 /nfs/dbraw/zinc/12/88/95/216128895.db2.gz VXOOYHWZCZZYGA-UHFFFAOYSA-N -2 0 328.303 2.032 20 0 EEADRL CCc1onc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000270388795 256130704 /nfs/dbraw/zinc/13/07/04/256130704.db2.gz BJLKAOTWUUEWJC-UHFFFAOYSA-N -2 0 342.348 2.492 20 0 EEADRL CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000315149566 160532383 /nfs/dbraw/zinc/53/23/83/160532383.db2.gz CYXHOHUNCWCTKF-UHFFFAOYSA-N -2 0 325.342 2.486 20 0 EEADRL CCn1cnc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000092890081 159227690 /nfs/dbraw/zinc/22/76/90/159227690.db2.gz PPUFQRFXYWMSNM-UHFFFAOYSA-N -2 0 329.765 2.055 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2)ccc1C(=O)[O-] ZINC000285086987 274676288 /nfs/dbraw/zinc/67/62/88/274676288.db2.gz LBPJDDZGRHVFGF-UHFFFAOYSA-N -2 0 337.401 2.347 20 0 EEADRL COc1cccc(C)c1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000436224116 314950990 /nfs/dbraw/zinc/95/09/90/314950990.db2.gz VGYWDESAYANJDJ-UHFFFAOYSA-N -2 0 340.339 2.314 20 0 EEADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)[O-] ZINC000543665651 318165316 /nfs/dbraw/zinc/16/53/16/318165316.db2.gz ASHFGHDVXOQGGV-UHFFFAOYSA-N -2 0 349.364 2.446 20 0 EEADRL CC(=O)Nc1cccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000336852109 465051513 /nfs/dbraw/zinc/05/15/13/465051513.db2.gz JOAIRIGGHHOOIN-UHFFFAOYSA-N -2 0 340.382 2.206 20 0 EEADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)nn(C)c1C ZINC000045945496 462632742 /nfs/dbraw/zinc/63/27/42/462632742.db2.gz KCQSDTZGQRZYGY-UHFFFAOYSA-N -2 0 337.401 2.098 20 0 EEADRL Cc1cc(C(=O)Nc2ccc(Cl)cc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000151432481 463529975 /nfs/dbraw/zinc/52/99/75/463529975.db2.gz MBTIJSBYICBYLG-UHFFFAOYSA-N -2 0 330.731 2.238 20 0 EEADRL CC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1C ZINC000340127900 465791943 /nfs/dbraw/zinc/79/19/43/465791943.db2.gz FXBDOSWHEMFKMI-UHFFFAOYSA-N -2 0 349.364 2.402 20 0 EEADRL CO[C@@H](C)c1nc(=NC(=O)c2c[n-]c3c(C)cccc3c2=O)s[n-]1 ZINC000338926860 466490812 /nfs/dbraw/zinc/49/08/12/466490812.db2.gz SZGFCKMUZBPWOT-VIFPVBQESA-N -2 0 344.396 2.070 20 0 EEADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c1 ZINC000317739733 466583172 /nfs/dbraw/zinc/58/31/72/466583172.db2.gz MZLPPFWIZIRBNN-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000320567114 466611124 /nfs/dbraw/zinc/61/11/24/466611124.db2.gz VEHCQRJBMSBRPT-UHFFFAOYSA-N -3 0 339.325 2.094 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)[nH]n1 ZINC000435717938 467490952 /nfs/dbraw/zinc/49/09/52/467490952.db2.gz AEDPHFUFAQBJAG-UHFFFAOYSA-N -2 0 349.290 2.236 20 0 EEADRL CC[C@@H](C)N(CC(=O)[O-])C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000562462717 468963291 /nfs/dbraw/zinc/96/32/91/468963291.db2.gz RTOXHKXVXLZNKG-SNVBAGLBSA-N -2 0 335.335 2.042 20 0 EEADRL CCOC(=O)c1cnc(NC(=O)c2cc(F)cc(Cl)c2[O-])[n-]1 ZINC000585681681 469014020 /nfs/dbraw/zinc/01/40/20/469014020.db2.gz IWKCGRVAEAJBRB-UHFFFAOYSA-N -2 0 327.699 2.337 20 0 EEADRL Cc1cc(NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)ccc1C(=O)[O-] ZINC000647923246 471017122 /nfs/dbraw/zinc/01/71/22/471017122.db2.gz PJOPLQUXSZJLAC-UHFFFAOYSA-N -2 0 349.364 2.333 20 0 EEADRL CCCCCc1n[n-]c(=NC(=O)NC[C@@H](C(=O)[O-])C(C)C)s1 ZINC000653534689 471654902 /nfs/dbraw/zinc/65/49/02/471654902.db2.gz UVGANUMRIKNJSZ-SNVBAGLBSA-N -2 0 328.438 2.171 20 0 EEADRL CC[C@H](C)[C@H](Nc1cc(N[C@H](C(=O)[O-])[C@@H](C)CC)ncn1)C(=O)[O-] ZINC000662878475 472288258 /nfs/dbraw/zinc/28/82/58/472288258.db2.gz TTYIBMCPGJZCPL-NUZBWSBOSA-N -2 0 338.408 2.299 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c(C(=O)[O-])[nH]1 ZINC000738463861 578016110 /nfs/dbraw/zinc/01/61/10/578016110.db2.gz YGJCYWCONKDZOO-UHFFFAOYSA-N -2 0 334.275 2.239 20 0 EEADRL COc1cccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000738142856 576649557 /nfs/dbraw/zinc/64/95/57/576649557.db2.gz ODGLREHKSJFIKT-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)c(C)c1 ZINC000737211059 578243857 /nfs/dbraw/zinc/24/38/57/578243857.db2.gz UCSGNSYJJZVETI-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)o1 ZINC000324921716 599737325 /nfs/dbraw/zinc/73/73/25/599737325.db2.gz UWIFFWCNRVZZML-UHFFFAOYSA-N -2 0 347.352 2.023 20 0 EEADRL CC(C)CN(CCC(=O)[O-])C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000826876038 600703150 /nfs/dbraw/zinc/70/31/50/600703150.db2.gz OLDNTNJVSKOQPB-UHFFFAOYSA-N -2 0 331.372 2.151 20 0 EEADRL CCC(C)(C)CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000828609033 600801596 /nfs/dbraw/zinc/80/15/96/600801596.db2.gz KGTRVPURPWTYRD-UHFFFAOYSA-N -2 0 327.402 2.157 20 0 EEADRL Cc1sc(NC(=O)C(=O)[N-]OCc2ccccc2)c(C(=O)[O-])c1C ZINC000833034306 600877595 /nfs/dbraw/zinc/87/75/95/600877595.db2.gz SIFNFVWYFGFOKC-UHFFFAOYSA-N -2 0 348.380 2.250 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)cc1C ZINC000321835781 600982511 /nfs/dbraw/zinc/98/25/11/600982511.db2.gz HFKRZQIKJYDISU-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL CC(C)c1noc([N-][C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)n1 ZINC000827180175 601201544 /nfs/dbraw/zinc/20/15/44/601201544.db2.gz MWLATWOBCGPBMK-SECBINFHSA-N -2 0 336.373 2.170 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1F ZINC000832413249 601232096 /nfs/dbraw/zinc/23/20/96/601232096.db2.gz MCTHZLHACOOOAF-UHFFFAOYSA-N -2 0 329.305 2.235 20 0 EEADRL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000827948309 601239889 /nfs/dbraw/zinc/23/98/89/601239889.db2.gz COOVFPZLOSDHRF-XBFCOCLRSA-N -2 0 339.413 2.085 20 0 EEADRL CC(C)(C)n1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cn1 ZINC000065833984 601327043 /nfs/dbraw/zinc/32/70/43/601327043.db2.gz OONUNUPMPIOPRP-UHFFFAOYSA-N -2 0 341.364 2.276 20 0 EEADRL CC(C)c1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)no1 ZINC000827111919 601361909 /nfs/dbraw/zinc/36/19/09/601361909.db2.gz ADFHNSFXFSEZJD-UHFFFAOYSA-N -2 0 340.357 2.062 20 0 EEADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000833345320 601383277 /nfs/dbraw/zinc/38/32/77/601383277.db2.gz UXGULDNONLOFNN-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)[nH]n2)cc1C(=O)[O-] ZINC000322341914 601850866 /nfs/dbraw/zinc/85/08/66/601850866.db2.gz DDCNYXVHXPHLGN-UHFFFAOYSA-N -2 0 339.373 2.041 20 0 EEADRL CCn1nc(C)c([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c1C ZINC000830440549 601863112 /nfs/dbraw/zinc/86/31/12/601863112.db2.gz AEJPUEIVQXWWPU-UHFFFAOYSA-N -2 0 341.364 2.158 20 0 EEADRL O=C([O-])CCc1csc([N-]S(=O)(=O)c2cc(F)cc(F)c2)n1 ZINC000833243194 604625216 /nfs/dbraw/zinc/62/52/16/604625216.db2.gz BPVKBFZPIGWJJE-UHFFFAOYSA-N -2 0 348.352 2.239 20 0 EEADRL CC(C)c1ccc(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cn1 ZINC000827117650 604665306 /nfs/dbraw/zinc/66/53/06/604665306.db2.gz GOGABDLHZFOZLA-UHFFFAOYSA-N -2 0 348.380 2.022 20 0 EEADRL CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)ccc1C ZINC000833398683 605184838 /nfs/dbraw/zinc/18/48/38/605184838.db2.gz QFIPBAFZZZEASR-UHFFFAOYSA-N -2 0 338.341 2.045 20 0 EEADRL COCCN(CCC(=O)[O-])Cc1cccc(O)c1Br ZINC000904270309 694340739 /nfs/dbraw/zinc/34/07/39/694340739.db2.gz ZFDYWPGYDIFRQK-UHFFFAOYSA-N -2 0 332.194 2.078 20 0 EEADRL N#Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000390465902 1180783662 /nfs/dbraw/zinc/78/36/62/1180783662.db2.gz ADWGLMLRGXTQJQ-UHFFFAOYSA-N -2 0 338.291 2.335 20 0 EEADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000863951757 1197935911 /nfs/dbraw/zinc/93/59/11/1197935911.db2.gz RTJCDTGIZIJQCU-QGZVFWFLSA-N -2 0 347.392 2.146 20 0 EEADRL O=Cc1cc(-c2ccccc2[C@@H](O)CC(=O)[O-])ccc1OCC(=O)[O-] ZINC000874969073 1199089345 /nfs/dbraw/zinc/08/93/45/1199089345.db2.gz BGSBUMIMSMBLIP-HNNXBMFYSA-N -2 0 344.319 2.138 20 0 EEADRL CC(C)Cn1cnc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1 ZINC001186150476 1278975260 /nfs/dbraw/zinc/97/52/60/1278975260.db2.gz GEIBXFORXXPMHR-UHFFFAOYSA-N -2 0 341.364 2.177 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3ocnc32)ccc1F ZINC001186183531 1278981748 /nfs/dbraw/zinc/98/17/48/1278981748.db2.gz BTBDWKFEGHLYFL-UHFFFAOYSA-N -2 0 336.300 2.466 20 0 EEADRL CC(C)(C)c1nnc(NC(=O)c2ccccc2OP(=O)([O-])[O-])o1 ZINC001189861614 1280523091 /nfs/dbraw/zinc/52/30/91/1280523091.db2.gz XCEQMQDRLIOQFE-UHFFFAOYSA-N -2 0 341.260 2.091 20 0 EEADRL O=C(Nc1nccc2cnccc21)c1ccccc1OP(=O)([O-])[O-] ZINC001189871285 1280529422 /nfs/dbraw/zinc/52/94/22/1280529422.db2.gz KXPNIAWXLBLYOW-UHFFFAOYSA-N -2 0 345.251 2.354 20 0 EEADRL O=C(NC1C(=O)N=CN=C1[O-])c1cc(Br)ccc1[S-] ZINC001189951800 1280591183 /nfs/dbraw/zinc/59/11/83/1280591183.db2.gz SDSWXDPOABRDLM-UHFFFAOYSA-N -2 0 342.174 2.191 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)ncc1C ZINC001260210766 1319832462 /nfs/dbraw/zinc/83/24/62/1319832462.db2.gz ZARDLBXKDUZACG-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL O=C([O-])C[C@H](Cc1ccccc1)NC(=O)c1c([O-])cc(F)cc1F ZINC001602114480 1350442245 /nfs/dbraw/zinc/44/22/45/1350442245.db2.gz GLUAAJMTLSPVQX-LBPRGKRZSA-N -2 0 335.306 2.486 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCCC[C@@H]3C2)on1 ZINC001602294887 1350487228 /nfs/dbraw/zinc/48/72/28/1350487228.db2.gz RAAFVLXXFVNCST-GMTAPVOTSA-N -2 0 328.390 2.010 20 0 EEADRL O=C([O-])c1ncsc1S(=O)(=O)NCc1ccc2occc2c1 ZINC001602582398 1350551217 /nfs/dbraw/zinc/55/12/17/1350551217.db2.gz DFPHSAZLNFFZJQ-UHFFFAOYSA-N -2 0 338.366 2.066 20 0 EEADRL CCc1onc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1 ZINC001605896151 1351249701 /nfs/dbraw/zinc/24/97/01/1351249701.db2.gz FLUYSIZLEBTGBH-UHFFFAOYSA-N -2 0 340.357 2.053 20 0 EEADRL O=C([O-])[C@@H]1CN(C(=O)c2ccc(F)cc2[O-])C[C@H]1c1ccccc1 ZINC001608808009 1351768474 /nfs/dbraw/zinc/76/84/74/1351768474.db2.gz IGXWLAQAFVNHFM-LSDHHAIUSA-N -2 0 329.327 2.472 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)cn1 ZINC001608913523 1351792409 /nfs/dbraw/zinc/79/24/09/1351792409.db2.gz WXMQCZJDLXKITI-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)c2ccc(Cl)s2)c1 ZINC001608938316 1351798627 /nfs/dbraw/zinc/79/86/27/1351798627.db2.gz YYTPTCPFNACRBP-UHFFFAOYSA-N -2 0 345.785 2.218 20 0 EEADRL O=C([O-])[C@@]1(C(F)(F)F)CCN(C(=O)c2c([O-])cc(F)cc2F)C1 ZINC001609027530 1351818650 /nfs/dbraw/zinc/81/86/50/1351818650.db2.gz ZOFFZAHEVGGWON-GFCCVEGCSA-N -2 0 339.216 2.150 20 0 EEADRL Cc1cc(C2CC2)nc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)n1 ZINC001610457106 1352225632 /nfs/dbraw/zinc/22/56/32/1352225632.db2.gz AFEIHFDDYDOPRP-UHFFFAOYSA-N -2 0 347.396 2.090 20 0 EEADRL Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001610481966 1352230335 /nfs/dbraw/zinc/23/03/35/1352230335.db2.gz GRSBBKPDKONKCJ-UHFFFAOYSA-N -2 0 347.352 2.273 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)C ZINC001610581923 1352248836 /nfs/dbraw/zinc/24/88/36/1352248836.db2.gz XCBVDBOOBPMFQT-VIFPVBQESA-N -2 0 331.390 2.163 20 0 EEADRL O=C([O-])c1c(F)cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1F ZINC001610807370 1352278161 /nfs/dbraw/zinc/27/81/61/1352278161.db2.gz VGJDIUIDBLCKGW-DTWKUNHWSA-N -2 0 325.267 2.269 20 0 EEADRL Cc1cc(C)cc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC001600169363 1349984625 /nfs/dbraw/zinc/98/46/25/1349984625.db2.gz YTZBEEBINQYLBT-UHFFFAOYSA-N -2 0 339.394 2.182 20 0 EEADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cc3[nH]ccc3cc2C)c1C(=O)[O-] ZINC001600309298 1350017318 /nfs/dbraw/zinc/01/73/18/1350017318.db2.gz WMOAFQDIIFGITE-UHFFFAOYSA-N -2 0 334.357 2.007 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001600360306 1350030173 /nfs/dbraw/zinc/03/01/73/1350030173.db2.gz BWFASGMXERKCBT-AAEUAGOBSA-N -2 0 341.385 2.078 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cnn(C3CCC3)c2)cc1C(=O)[O-] ZINC001600464008 1350057818 /nfs/dbraw/zinc/05/78/18/1350057818.db2.gz LWJNUXUSSQOANS-UHFFFAOYSA-N -2 0 335.385 2.416 20 0 EEADRL Cc1cccc(F)c1S(=O)(=O)[N-]c1nc(CC(=O)[O-])cs1 ZINC001600536623 1350076205 /nfs/dbraw/zinc/07/62/05/1350076205.db2.gz UMNHMZKCFBZMCX-UHFFFAOYSA-N -2 0 330.362 2.019 20 0 EEADRL Cc1cccc2cc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])sc21 ZINC001600559082 1350082097 /nfs/dbraw/zinc/08/20/97/1350082097.db2.gz YTJXQOHVQHFSDG-UHFFFAOYSA-N -2 0 341.410 2.134 20 0 EEADRL Cc1cnc(SCc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)[nH]c1=O ZINC001600625358 1350100621 /nfs/dbraw/zinc/10/06/21/1350100621.db2.gz PVUSJRUHYNBNFU-UHFFFAOYSA-N -2 0 344.352 2.130 20 0 EEADRL Cc1nc2ccc([N-]S(=O)(=O)c3cncc(C(=O)[O-])c3)cc2o1 ZINC001600727534 1350122142 /nfs/dbraw/zinc/12/21/42/1350122142.db2.gz SXVHCIXESCLCKE-UHFFFAOYSA-N -2 0 333.325 2.030 20 0 EEADRL Cc1sc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccnn1C1CCC1 ZINC001600872929 1350157279 /nfs/dbraw/zinc/15/72/79/1350157279.db2.gz WLYKVOTYSQSOLY-UHFFFAOYSA-N -2 0 341.414 2.477 20 0 EEADRL O=C([O-])[C@H](CC1CCOCC1)NC(=O)c1ccc(Cl)c([O-])c1 ZINC001601413053 1350279100 /nfs/dbraw/zinc/27/91/00/1350279100.db2.gz PQVJKQGMDVAEOV-LBPRGKRZSA-N -2 0 327.764 2.045 20 0 EEADRL O=C([O-])c1cc(NC(=O)NC[C@@H](C(=O)[O-])C2CCC2)cc2[nH]ccc21 ZINC001601450865 1350286081 /nfs/dbraw/zinc/28/60/81/1350286081.db2.gz WSUZXZNRYBNAFQ-CYBMUJFWSA-N -2 0 345.355 2.489 20 0 EEADRL O=C([O-])[C@@H]1CCN(C(=O)c2cccc(F)c2[O-])[C@H]([C@H]2CCCO2)C1 ZINC001601827590 1350374185 /nfs/dbraw/zinc/37/41/85/1350374185.db2.gz PKLMXHWQEATTTB-DDTOSNHZSA-N -2 0 337.347 2.016 20 0 EEADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccccc2[O-])[C@H]2CCCC[C@@H]12 ZINC001601830527 1350375343 /nfs/dbraw/zinc/37/53/43/1350375343.db2.gz OGPCNIRLLXYIEP-XQQFMLRXSA-N -2 0 339.413 2.046 20 0 EEADRL O=C([O-])CCCc1nnc(NC(=O)c2csc(Cl)n2)s1 ZINC001602003237 1350415746 /nfs/dbraw/zinc/41/57/46/1350415746.db2.gz JWMGEEIDWFKTFB-UHFFFAOYSA-N -2 0 332.794 2.308 20 0 EEADRL O=C([O-])[C@@H]1CN(C(=O)c2ccc(F)cc2[O-])C[C@@H]1c1ccccc1 ZINC001602185756 1350460243 /nfs/dbraw/zinc/46/02/43/1350460243.db2.gz IGXWLAQAFVNHFM-HUUCEWRRSA-N -2 0 329.327 2.472 20 0 EEADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1noc2c1CCCC2 ZINC001602369474 1350505727 /nfs/dbraw/zinc/50/57/27/1350505727.db2.gz HRRKIKFHDMFQKV-UHFFFAOYSA-N -2 0 340.332 2.192 20 0 EEADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC001602483374 1350529816 /nfs/dbraw/zinc/52/98/16/1350529816.db2.gz MEBXMZFGWOWDOO-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])c1ccsc1N1CC[C@@H]([N-]c2nc(C3CCC3)no2)C1=O ZINC001602491225 1350531260 /nfs/dbraw/zinc/53/12/60/1350531260.db2.gz YQVXJSKKQVNADA-SNVBAGLBSA-N -2 0 348.384 2.314 20 0 EEADRL C[C@@H](C(=O)[O-])N(C(=O)c1nn(-c2ccccc2)cc1[O-])C1CCC1 ZINC001603197474 1350660397 /nfs/dbraw/zinc/66/03/97/1350660397.db2.gz LMWMNZLVLOWTHN-NSHDSACASA-N -2 0 329.356 2.046 20 0 EEADRL CC(C)([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)C(F)(F)F ZINC001603685516 1350741695 /nfs/dbraw/zinc/74/16/95/1350741695.db2.gz GUCTUTLLFVUPCM-UHFFFAOYSA-N -2 0 347.261 2.282 20 0 EEADRL C[C@]1(C(=O)[O-])CCN(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001604499206 1350949664 /nfs/dbraw/zinc/94/96/64/1350949664.db2.gz XLJBUPBYZSJIGX-AWEZNQCLSA-N -2 0 326.736 2.367 20 0 EEADRL C[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001604727278 1350992145 /nfs/dbraw/zinc/99/21/45/1350992145.db2.gz YSPQADYUUZOLMV-RKDXNWHRSA-N -2 0 331.415 2.078 20 0 EEADRL CCC[C@H](CC)C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001605207503 1351103187 /nfs/dbraw/zinc/10/31/87/1351103187.db2.gz AWIYZEYLMUASNW-LBPRGKRZSA-N -2 0 327.402 2.157 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc2n[nH]cc21 ZINC001607696751 1351541515 /nfs/dbraw/zinc/54/15/15/1351541515.db2.gz HFQMSHXERGVXKO-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001607717533 1351545498 /nfs/dbraw/zinc/54/54/98/1351545498.db2.gz OOOOIELUVSGXNU-VXGBXAGGSA-N -2 0 344.371 2.315 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2nc3ccccc3s2)cc1C(=O)[O-] ZINC001607985575 1351598474 /nfs/dbraw/zinc/59/84/74/1351598474.db2.gz YCECKIVVISJUGC-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL Cn1nc(C2CC2)cc1S(=O)(=O)[N-]c1ccc(CCC(=O)[O-])cc1 ZINC001608147564 1351635020 /nfs/dbraw/zinc/63/50/20/1351635020.db2.gz WDUYJXALHVYALV-UHFFFAOYSA-N -2 0 349.412 2.116 20 0 EEADRL Cn1cc2c(cccc2[N-]S(=O)(=O)c2ccccc2C(=O)[O-])n1 ZINC001198778540 1368645489 /nfs/dbraw/zinc/64/54/89/1368645489.db2.gz GJZWRZRFUMQWFF-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL C[C@H](O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000321588782 1409861155 /nfs/dbraw/zinc/86/11/55/1409861155.db2.gz PPSQZLFLFXSHES-VIFPVBQESA-N -2 0 339.344 2.378 20 0 EEADRL O=C([O-])[C@@H]1CCCCCN1S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000906787972 784158880 /nfs/dbraw/zinc/15/88/80/784158880.db2.gz HMGJEJIDZMFSMN-JTQLQIEISA-N -2 0 333.793 2.064 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)c1 ZINC000906987473 784302360 /nfs/dbraw/zinc/30/23/60/784302360.db2.gz QVVXMEKQGDDNOB-JTQLQIEISA-N -2 0 341.282 2.143 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)C1 ZINC000910185743 786517826 /nfs/dbraw/zinc/51/78/26/786517826.db2.gz YABSYHQNHFNLIP-UXXRCYHCSA-N -2 0 337.416 2.369 20 0 EEADRL CC(=O)[N-]S(=O)(=O)c1ccc(Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC001174981500 797962862 /nfs/dbraw/zinc/96/28/62/797962862.db2.gz FGSAWABYRAIJJC-UHFFFAOYSA-N -2 0 348.380 2.262 20 0 EEADRL O=C([O-])c1cc(Nc2ccc3c(c2)OCC(=O)N3)cc(C(=O)[O-])c1 ZINC001176241771 798392689 /nfs/dbraw/zinc/39/26/89/798392689.db2.gz WLUIUBBKMIBSRO-UHFFFAOYSA-N -2 0 328.280 2.158 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C3CC3)nn2C)cc1C(=O)[O-] ZINC001184654525 802119870 /nfs/dbraw/zinc/11/98/70/802119870.db2.gz ZEIHWLNYNGQXET-UHFFFAOYSA-N -2 0 335.385 2.105 20 0 EEADRL O=C([O-])c1ccnc(NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])c1 ZINC001602482831 971210436 /nfs/dbraw/zinc/21/04/36/971210436.db2.gz MSOQBXHWZPCSML-UHFFFAOYSA-N -2 0 342.286 2.063 20 0 EEADRL CC(C)(C(=O)[O-])n1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)n1 ZINC001602838695 971668349 /nfs/dbraw/zinc/66/83/49/971668349.db2.gz CPWIZPQWTYSAPI-UHFFFAOYSA-N -2 0 337.376 2.067 20 0 EEADRL C[C@@](CNC(=O)c1cc(F)cc(F)c1[O-])(C(=O)[O-])c1ccccc1 ZINC001589063749 955736271 /nfs/dbraw/zinc/73/62/71/955736271.db2.gz CHHJAZJLGQVPRZ-KRWDZBQOSA-N -2 0 335.306 2.443 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)C2CCC(C3CCC3)CC2)C1 ZINC001552982918 1125465639 /nfs/dbraw/zinc/46/56/39/1125465639.db2.gz RJHFWVQZPUSFIX-CVSAEHQPSA-N -2 0 337.416 2.369 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)s1 ZINC000229618628 960087199 /nfs/dbraw/zinc/08/71/99/960087199.db2.gz MPXRSLWZDIIJPY-UHFFFAOYSA-N -2 0 334.325 2.229 20 0 EEADRL O=C([O-])[C@H](C(=O)Nc1nccc(Br)c1[O-])C1CCCC1 ZINC001574620908 962245658 /nfs/dbraw/zinc/24/56/58/962245658.db2.gz IJGKUVFPAYLRFK-VIFPVBQESA-N -2 0 343.177 2.379 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)s1 ZINC000314773233 963807799 /nfs/dbraw/zinc/80/77/99/963807799.db2.gz SEFQNMVIMRCFKF-UHFFFAOYSA-N -2 0 346.317 2.294 20 0 EEADRL CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-] ZINC000863962608 969312227 /nfs/dbraw/zinc/31/22/27/969312227.db2.gz QJEKIMCOCNDONN-INIZCTEOSA-N -2 0 341.429 2.475 20 0 EEADRL CCC[C@@H]1CCC[C@@H]1C(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001595621556 981700911 /nfs/dbraw/zinc/70/09/11/981700911.db2.gz KURSQXZPVXYVDT-LFAUCBNZSA-N -2 0 337.416 2.227 20 0 EEADRL CCC(C)(C)CCS(=O)(=O)[N-]C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001594800696 981888501 /nfs/dbraw/zinc/88/85/01/981888501.db2.gz DSJLPNHARJLUEN-RYUDHWBXSA-N -2 0 333.450 2.150 20 0 EEADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)c1ccoc1C ZINC001599948061 985562557 /nfs/dbraw/zinc/56/25/57/985562557.db2.gz JVTXKHAVIWKMHW-SNVBAGLBSA-N -2 0 339.369 2.276 20 0 EEADRL CC[C@H]1CC[C@H](C(=O)N2C[C@@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)CC1 ZINC001597356320 987505593 /nfs/dbraw/zinc/50/55/93/987505593.db2.gz VIXKIANXQFOINT-ZLTVLGTPSA-N -2 0 337.416 2.227 20 0 EEADRL CCc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)s1 ZINC001597734905 989072038 /nfs/dbraw/zinc/07/20/38/989072038.db2.gz JPXLUGQZEUPNOY-UHFFFAOYSA-N -2 0 345.377 2.047 20 0 EEADRL CC(C)CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)[nH]n1 ZINC001591266310 992178509 /nfs/dbraw/zinc/17/85/09/992178509.db2.gz BGHSASKOUAOGAL-UHFFFAOYSA-N -2 0 327.362 2.090 20 0 EEADRL COCc1nc([N-]S(=O)(=O)c2ccc(C)cc2)sc1C(=O)[O-] ZINC001599303377 997271862 /nfs/dbraw/zinc/27/18/62/997271862.db2.gz JBBZFLJFGZTSMD-UHFFFAOYSA-N -2 0 342.398 2.097 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c(O)c1 ZINC000356034576 153257000 /nfs/dbraw/zinc/25/70/00/153257000.db2.gz JGRJNLBQTUBRAR-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL CC(C)C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000263552958 279193894 /nfs/dbraw/zinc/19/38/94/279193894.db2.gz MGGOMSXIMGTFPB-VIFPVBQESA-N -2 0 341.763 2.396 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c(C)c1 ZINC000436994576 315021563 /nfs/dbraw/zinc/02/15/63/315021563.db2.gz NIFRUHLTFBQNPG-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)N(C)c1ccc(C(=O)[O-])cc1 ZINC000437656754 315045607 /nfs/dbraw/zinc/04/56/07/315045607.db2.gz SDENCBTXCPNJLQ-UHFFFAOYSA-N -2 0 349.364 2.217 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)sc1C(=O)[O-] ZINC000045774399 462616746 /nfs/dbraw/zinc/61/67/46/462616746.db2.gz JNXPVISMPKCMCI-UHFFFAOYSA-N -2 0 342.354 2.464 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2ccccc2O)cc1C(=O)[O-] ZINC000075106908 462675934 /nfs/dbraw/zinc/67/59/34/462675934.db2.gz VISKQFJXVIKXDQ-UHFFFAOYSA-N -2 0 337.353 2.290 20 0 EEADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cc(Cl)ccc1C(=O)[O-] ZINC000013029765 462883984 /nfs/dbraw/zinc/88/39/84/462883984.db2.gz QFHLXXMKPNKTLY-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL COCCS(=O)(=O)[N-]c1cc(Cl)cc(Br)c1[O-] ZINC000176472004 464782113 /nfs/dbraw/zinc/78/21/13/464782113.db2.gz ZDPAOUAUNOZCNU-UHFFFAOYSA-N -2 0 344.614 2.196 20 0 EEADRL CCCc1nc(C)c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)s1 ZINC000362725635 465975924 /nfs/dbraw/zinc/97/59/24/465975924.db2.gz SLNQOCHQLZCUIA-UHFFFAOYSA-N -2 0 329.403 2.231 20 0 EEADRL CCCSc1nc(=NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])s[n-]1 ZINC000424387954 467037057 /nfs/dbraw/zinc/03/70/57/467037057.db2.gz YEHDCPOBFHPSEZ-SECBINFHSA-N -2 0 346.478 2.331 20 0 EEADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@@H](C)CC(=O)[O-])n2)cc1 ZINC000427715547 467173970 /nfs/dbraw/zinc/17/39/70/467173970.db2.gz QSEACXUZZJMDLY-NSHDSACASA-N -2 0 331.372 2.294 20 0 EEADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1O ZINC000391375784 467420750 /nfs/dbraw/zinc/42/07/50/467420750.db2.gz UNDBQRSWSBPRBS-UHFFFAOYSA-N -2 0 333.365 2.380 20 0 EEADRL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000399562477 467454786 /nfs/dbraw/zinc/45/47/86/467454786.db2.gz FWMWHZBSSOIRTI-WRWORJQWSA-N -2 0 339.335 2.128 20 0 EEADRL Cc1ccc(S(=O)(=O)N[C@@H]2CCCCC[C@@H]2C(=O)[O-])c(F)c1 ZINC000404963371 467479226 /nfs/dbraw/zinc/47/92/26/467479226.db2.gz FNHLGVIUSXPUDC-WCQYABFASA-N -2 0 329.393 2.446 20 0 EEADRL O=C([O-])c1ccc([C@H]([N-]S(=O)(=O)CCCF)C(F)(F)F)cc1 ZINC000584408669 468864545 /nfs/dbraw/zinc/86/45/45/468864545.db2.gz IENNIGPSEQSYIF-JTQLQIEISA-N -2 0 343.298 2.267 20 0 EEADRL Cc1ccc(NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)c(C(=O)[O-])c1 ZINC000647922469 471016743 /nfs/dbraw/zinc/01/67/43/471016743.db2.gz NGSAAUUSTXMWLB-UHFFFAOYSA-N -2 0 349.364 2.333 20 0 EEADRL C[C@H](CCCNS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)[O-] ZINC000654772749 471170378 /nfs/dbraw/zinc/17/03/78/471170378.db2.gz GHOYCIBADCPLGH-SECBINFHSA-N -2 0 329.349 2.351 20 0 EEADRL CC(C)c1nc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c[nH]1 ZINC000673884026 485569919 /nfs/dbraw/zinc/56/99/19/485569919.db2.gz WKFQEGUYYFYIOF-UHFFFAOYSA-N -2 0 327.337 2.171 20 0 EEADRL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1O ZINC000754825508 577814256 /nfs/dbraw/zinc/81/42/56/577814256.db2.gz ACHZJORWHHNGHN-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL O=C([O-])c1ccc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1 ZINC000740155848 578083187 /nfs/dbraw/zinc/08/31/87/578083187.db2.gz XMVXUSKOPZZINP-UHFFFAOYSA-N -2 0 339.300 2.023 20 0 EEADRL CCc1cnc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])s1 ZINC000830299781 600985120 /nfs/dbraw/zinc/98/51/20/600985120.db2.gz WNPKBLFQPIJNHX-UHFFFAOYSA-N -2 0 330.362 2.344 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)Nc2cc(F)ccc2C(=O)[O-])cc1 ZINC000833323334 601188054 /nfs/dbraw/zinc/18/80/54/601188054.db2.gz CUUCZTNJMJPRBK-UHFFFAOYSA-N -2 0 339.300 2.023 20 0 EEADRL CCc1nnc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])s1 ZINC000830335424 601502489 /nfs/dbraw/zinc/50/24/89/601502489.db2.gz PZPHZVJHACGDDG-UHFFFAOYSA-N -2 0 347.805 2.253 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2nnc(C(C)C)s2)c1C(=O)[O-] ZINC000832972667 601503725 /nfs/dbraw/zinc/50/37/25/601503725.db2.gz JJYJDTMKZZWUOK-UHFFFAOYSA-N -2 0 341.414 2.469 20 0 EEADRL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1O ZINC000832972485 601604626 /nfs/dbraw/zinc/60/46/26/601604626.db2.gz CEZFQQFUBCJASC-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL CSc1cccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000832790166 601830332 /nfs/dbraw/zinc/83/03/32/601830332.db2.gz IDBDHCVZBSQVJP-UHFFFAOYSA-N -2 0 330.412 2.364 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)n[nH]c1C1CC1 ZINC000832853422 602103130 /nfs/dbraw/zinc/10/31/30/602103130.db2.gz KXHHHMOOXWNHDW-RUDMXATFSA-N -2 0 347.396 2.494 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)[O-])cs2)c(F)c1 ZINC000832956732 604625162 /nfs/dbraw/zinc/62/51/62/604625162.db2.gz YPFGCFWLAIONEL-UHFFFAOYSA-N -2 0 344.389 2.409 20 0 EEADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833726513 604688281 /nfs/dbraw/zinc/68/82/81/604688281.db2.gz BEPIXDVUNMWWJE-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL Cc1scc(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1C ZINC000833759132 605021621 /nfs/dbraw/zinc/02/16/21/605021621.db2.gz OYEDHMANQJFLQN-UHFFFAOYSA-N -2 0 345.423 2.243 20 0 EEADRL COc1cc(F)ncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185878671 1278847284 /nfs/dbraw/zinc/84/72/84/1278847284.db2.gz AABLTOYJQBCOSI-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL CCOc1ccncc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186144458 1278968579 /nfs/dbraw/zinc/96/85/79/1278968579.db2.gz VAQRYERMPJNUHE-UHFFFAOYSA-N -2 0 340.332 2.118 20 0 EEADRL CC(C)c1nccnc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186153596 1278975051 /nfs/dbraw/zinc/97/50/51/1278975051.db2.gz ZIXFDYZISWNCTK-UHFFFAOYSA-N -2 0 339.348 2.238 20 0 EEADRL O=C(Nc1cc2ccccn2n1)c1ccccc1OP(=O)([O-])[O-] ZINC001189872585 1280530703 /nfs/dbraw/zinc/53/07/03/1280530703.db2.gz WEOLVBFMUYPXKY-UHFFFAOYSA-N -2 0 333.240 2.058 20 0 EEADRL Nc1cc(Cl)cnc1NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189871393 1280531238 /nfs/dbraw/zinc/53/12/38/1280531238.db2.gz NUBCHANKEDZYKP-UHFFFAOYSA-N -2 0 343.663 2.041 20 0 EEADRL O=S(=O)([N-]c1ccc(Br)cc1[S-])c1ncc[nH]1 ZINC001190730466 1281036551 /nfs/dbraw/zinc/03/65/51/1281036551.db2.gz GHAGEZCUDZBTGP-UHFFFAOYSA-N -2 0 334.220 2.262 20 0 EEADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cccn3nccc23)cc1 ZINC001192115860 1281806393 /nfs/dbraw/zinc/80/63/93/1281806393.db2.gz FQNNZIZTWXUFER-UHFFFAOYSA-N -2 0 345.380 2.152 20 0 EEADRL Cc1nccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001193972884 1282799992 /nfs/dbraw/zinc/79/99/92/1282799992.db2.gz KOYYERKSLGXYGD-UHFFFAOYSA-N -2 0 345.739 2.077 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cnc2cccc(O)c2c1 ZINC001198746745 1285317548 /nfs/dbraw/zinc/31/75/48/1285317548.db2.gz KKQFTQPLPSEMIW-UHFFFAOYSA-N -2 0 344.348 2.439 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(OCC2CC2)nc1 ZINC001198746721 1285317653 /nfs/dbraw/zinc/31/76/53/1285317653.db2.gz JYUZKPFPHYZDIY-UHFFFAOYSA-N -2 0 348.380 2.369 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccccc1-n1cccn1 ZINC001198771318 1285351693 /nfs/dbraw/zinc/35/16/93/1285351693.db2.gz GJIQPJVEMKWTHA-UHFFFAOYSA-N -2 0 343.364 2.371 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cnc(OCC(F)(F)F)cn2)c1 ZINC001242163579 1309624397 /nfs/dbraw/zinc/62/43/97/1309624397.db2.gz APPXAUJYWPDPOR-UHFFFAOYSA-N -2 0 342.229 2.481 20 0 EEADRL COC(=O)c1nc2[nH]ccc2cc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242164088 1309625223 /nfs/dbraw/zinc/62/52/23/1309625223.db2.gz BCPBDEUHOFCVTK-UHFFFAOYSA-N -2 0 340.291 2.365 20 0 EEADRL CN1C(=O)NCc2c(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)cccc21 ZINC001242163989 1309625458 /nfs/dbraw/zinc/62/54/58/1309625458.db2.gz VWJJOAAFWMFJHH-UHFFFAOYSA-N -2 0 326.308 2.409 20 0 EEADRL Cc1cn2cccc(C(=O)Nc3ccc4c([O-])[n-]c(=O)nc4c3)c2n1 ZINC001153595794 1316848916 /nfs/dbraw/zinc/84/89/16/1316848916.db2.gz JREMGWWXYIAVGT-UHFFFAOYSA-N -2 0 335.323 2.249 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cnc3c(c2)CCCC3)c1 ZINC001260184318 1319818549 /nfs/dbraw/zinc/81/85/49/1319818549.db2.gz YXVZTRUFHPLBMA-UHFFFAOYSA-N -2 0 332.381 2.459 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cnc3occc3c2)c1 ZINC001260210130 1319833069 /nfs/dbraw/zinc/83/30/69/1319833069.db2.gz BLZZGTDBSLRDOT-UHFFFAOYSA-N -2 0 336.300 2.466 20 0 EEADRL Cn1ncc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)c21 ZINC001260227604 1319837683 /nfs/dbraw/zinc/83/76/83/1319837683.db2.gz FUZFWBIXIKRJNH-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL O=C([O-])c1c(F)ccc(NC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c1F ZINC001608510405 1351707127 /nfs/dbraw/zinc/70/71/27/1351707127.db2.gz PJGGQVTUSWHGHT-NKWVEPMBSA-N -2 0 328.271 2.038 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2O)c(C(=O)[O-])c1 ZINC001600482894 1350062400 /nfs/dbraw/zinc/06/24/00/1350062400.db2.gz LEZJUUGAUVQPJR-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL CC[C@H](CC(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1)C(C)(C)C ZINC001604980278 1351044157 /nfs/dbraw/zinc/04/41/57/1351044157.db2.gz CBRCVRBFWKXMIB-DVAPBTGTSA-N -2 0 339.432 2.473 20 0 EEADRL O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)C1 ZINC001608621328 1351727895 /nfs/dbraw/zinc/72/78/95/1351727895.db2.gz HHGQKMKQYGOMJX-JMSVASOKSA-N -2 0 331.368 2.088 20 0 EEADRL O=C([O-])[C@@H]1CCN(C(=O)c2cc3c(cc2O)OCO3)[C@H]2CCCC[C@H]12 ZINC001608633145 1351730300 /nfs/dbraw/zinc/73/03/00/1351730300.db2.gz RHWRHJMOPZALSM-WZRBSPASSA-N -2 0 347.367 2.226 20 0 EEADRL O=C([O-])CCCO[N-]C(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001608716582 1351748055 /nfs/dbraw/zinc/74/80/55/1351748055.db2.gz VFKHDSUMMSMGBP-ZWNOBZJWSA-N -2 0 347.289 2.081 20 0 EEADRL O=C([O-])c1cccc(C(=O)COC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC001608927706 1351796406 /nfs/dbraw/zinc/79/64/06/1351796406.db2.gz BFPFJBAXFBXMGQ-UHFFFAOYSA-N -2 0 336.246 2.408 20 0 EEADRL O=C([O-])c1cncc([N-]S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC001608982151 1351808035 /nfs/dbraw/zinc/80/80/35/1351808035.db2.gz XSUYLMQLHPSUCC-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)CC1 ZINC001609050058 1351823509 /nfs/dbraw/zinc/82/35/09/1351823509.db2.gz FKOAIUJWXCBETC-MGCOHNPYSA-N -2 0 330.344 2.007 20 0 EEADRL CC(C)(CCNC(=O)Nc1ccc(CC(=O)[O-])c(F)c1)C(=O)[O-] ZINC001609674765 1352056222 /nfs/dbraw/zinc/05/62/22/1352056222.db2.gz GBBAYONIIMACTK-UHFFFAOYSA-N -2 0 326.324 2.075 20 0 EEADRL C[C@H](NC(=O)C[C@H](C(=O)[O-])c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001609758708 1352077794 /nfs/dbraw/zinc/07/77/94/1352077794.db2.gz BWUALDIPMVEDSP-ONGXEEELSA-N -2 0 348.380 2.277 20 0 EEADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)n1 ZINC001610465859 1352227053 /nfs/dbraw/zinc/22/70/53/1352227053.db2.gz XPCKRRPSQJWZMZ-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL Cc1ccc(-c2cnc(CS(=O)(=O)c3ncc(C(=O)[O-])[n-]3)o2)cc1 ZINC001610480424 1352229833 /nfs/dbraw/zinc/22/98/33/1352229833.db2.gz AIDUEDDLHDFDAP-UHFFFAOYSA-N -2 0 347.352 2.045 20 0 EEADRL Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c1C(=O)[O-] ZINC001610526719 1352238785 /nfs/dbraw/zinc/23/87/85/1352238785.db2.gz SVEWFVHBSWZZIF-UHFFFAOYSA-N -2 0 335.337 2.192 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)C[C@H]1CCCC[C@@H]1C ZINC001610581327 1352248934 /nfs/dbraw/zinc/24/89/34/1352248934.db2.gz JZCVDROXPFJHBM-GXSJLCMTSA-N -2 0 343.401 2.308 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C)oc1C(=O)[O-] ZINC001600236502 1349999247 /nfs/dbraw/zinc/99/92/47/1349999247.db2.gz XMPDKFBEENXNLQ-UHFFFAOYSA-N -2 0 338.385 2.461 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)sc1C ZINC001600296849 1350013483 /nfs/dbraw/zinc/01/34/83/1350013483.db2.gz HMVWLTJLDLSYSQ-MNOVXSKESA-N -2 0 345.442 2.061 20 0 EEADRL Cc1ccc(CCC(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC001600405557 1350041689 /nfs/dbraw/zinc/04/16/89/1350041689.db2.gz IONZODGKIOSVLU-UHFFFAOYSA-N -2 0 347.392 2.131 20 0 EEADRL Cc1ccnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c1C1CC1 ZINC001600600640 1350095009 /nfs/dbraw/zinc/09/50/09/1350095009.db2.gz OROLKTSXAIYEMU-UHFFFAOYSA-N -2 0 333.369 2.161 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2cccnc2C2CC2)cc1C(=O)[O-] ZINC001600747627 1350127302 /nfs/dbraw/zinc/12/73/02/1350127302.db2.gz TUOWRLSKAHMCJA-UHFFFAOYSA-N -2 0 333.369 2.161 20 0 EEADRL Cc1nn(C)c([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1C(=O)[O-] ZINC001600773787 1350133352 /nfs/dbraw/zinc/13/33/52/1350133352.db2.gz ANSCLSXCCCQEPV-UHFFFAOYSA-N -2 0 345.327 2.165 20 0 EEADRL O=C([O-])[C@@H]1CCN(C(=O)c2cccc(F)c2[O-])[C@@H]([C@@H]2CCCO2)C1 ZINC001601827592 1350374326 /nfs/dbraw/zinc/37/43/26/1350374326.db2.gz PKLMXHWQEATTTB-HONMWMINSA-N -2 0 337.347 2.016 20 0 EEADRL O=C([O-])CCc1csc(NC(=O)NCc2cccc(C(=O)[O-])c2)n1 ZINC001602046668 1350426254 /nfs/dbraw/zinc/42/62/54/1350426254.db2.gz QCQHJSKRAUHDCP-UHFFFAOYSA-N -2 0 349.368 2.180 20 0 EEADRL O=C([O-])Cc1ccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])cc1 ZINC001602126623 1350445617 /nfs/dbraw/zinc/44/56/17/1350445617.db2.gz HVJBQBHQAYDCKL-UHFFFAOYSA-N -2 0 337.335 2.457 20 0 EEADRL O=C([O-])c1c2c(sc1[N-]S(=O)(=O)c1ccsc1)COCC2 ZINC001602231812 1350471721 /nfs/dbraw/zinc/47/17/21/1350471721.db2.gz BBFAXDOTWVUAJH-UHFFFAOYSA-N -2 0 345.423 2.381 20 0 EEADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)C[C@@H]1CCCCC1(C)C ZINC001603186642 1350658890 /nfs/dbraw/zinc/65/88/90/1350658890.db2.gz AOVQITZKQYTOBM-SRVKXCTJSA-N -2 0 333.450 2.148 20 0 EEADRL CC(C)CCc1nc(CS(=O)(=O)c2ncc(C(=O)[O-])[n-]2)cs1 ZINC001603798903 1350770724 /nfs/dbraw/zinc/77/07/24/1350770724.db2.gz QXOHZGQBLNVRRS-UHFFFAOYSA-N -2 0 343.430 2.127 20 0 EEADRL C[C@@H](CCC[C@H](C)C(=O)[O-])NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC001604132505 1350868456 /nfs/dbraw/zinc/86/84/56/1350868456.db2.gz PKFMMRSVXKRXHL-IUCAKERBSA-N -2 0 349.430 2.004 20 0 EEADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001604518621 1350953981 /nfs/dbraw/zinc/95/39/81/1350953981.db2.gz JHLYFVNNKSYWDY-DJJJIMSYSA-N -2 0 345.395 2.422 20 0 EEADRL CCC[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1ccccc1 ZINC001605191598 1351100272 /nfs/dbraw/zinc/10/02/72/1351100272.db2.gz CAASFJDPADOGRV-CYBMUJFWSA-N -2 0 341.429 2.127 20 0 EEADRL CCOC(=O)c1cnc(/C=C\c2cc(C(=O)[O-])n(C)c2)c(C(=O)[O-])c1 ZINC001605579730 1351193119 /nfs/dbraw/zinc/19/31/19/1351193119.db2.gz JUYANIKFOTXFIF-PLNGDYQASA-N -2 0 344.323 2.164 20 0 EEADRL CCc1ncsc1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC001605864692 1351240368 /nfs/dbraw/zinc/24/03/68/1351240368.db2.gz CUMRVEXYAAYCCZ-UHFFFAOYSA-N -2 0 348.427 2.275 20 0 EEADRL CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-] ZINC001605790778 1351223925 /nfs/dbraw/zinc/22/39/25/1351223925.db2.gz YKOZLIJDHSSXNJ-BDAKNGLRSA-N -2 0 325.386 2.481 20 0 EEADRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001607264813 1351461291 /nfs/dbraw/zinc/46/12/91/1351461291.db2.gz GZJGLBOPKUMHPR-UHFFFAOYSA-N -2 0 331.733 2.441 20 0 EEADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)c1cccs1 ZINC001607488343 1351502664 /nfs/dbraw/zinc/50/26/64/1351502664.db2.gz YOWGTIZZJKTDMT-VIFPVBQESA-N -2 0 341.410 2.436 20 0 EEADRL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c(C)s1 ZINC001607580107 1351519275 /nfs/dbraw/zinc/51/92/75/1351519275.db2.gz RBVBMFJZUCCESN-UHFFFAOYSA-N -2 0 345.423 2.243 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cc(CC(C)(C)C)[nH]n2)oc1C(=O)[O-] ZINC001607708162 1351543239 /nfs/dbraw/zinc/54/32/39/1351543239.db2.gz APLGBCUYGMDNGP-UHFFFAOYSA-N -2 0 341.389 2.399 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2cnc(CC(C)C)nc2)c1C(=O)[O-] ZINC001607863100 1351573880 /nfs/dbraw/zinc/57/38/80/1351573880.db2.gz LCUJGTCYVFZDLX-UHFFFAOYSA-N -2 0 349.412 2.483 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2cc(C3CC3)nc(C)n2)c1C(=O)[O-] ZINC001607966385 1351594755 /nfs/dbraw/zinc/59/47/55/1351594755.db2.gz PCQLEVGITWVWCY-UHFFFAOYSA-N -2 0 347.396 2.470 20 0 EEADRL O=C([O-])c1ccn(CC(=O)Nc2cc(Cl)cc(Cl)c2[O-])n1 ZINC001608377707 1351681998 /nfs/dbraw/zinc/68/19/98/1351681998.db2.gz AXNZFGOAVNUZPD-UHFFFAOYSA-N -2 0 330.127 2.232 20 0 EEADRL O=C([O-])[C@@H](NC(=O)c1cc(F)cc(F)c1[O-])c1ccc2c(c1)CCO2 ZINC001608385246 1351683202 /nfs/dbraw/zinc/68/32/02/1351683202.db2.gz AEALKYONGSNEJS-AWEZNQCLSA-N -2 0 349.289 2.161 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(F)c2O)c(F)cc1F ZINC001195235040 1368508653 /nfs/dbraw/zinc/50/86/53/1368508653.db2.gz XEJSYWLKRJADPG-UHFFFAOYSA-N -2 0 347.270 2.309 20 0 EEADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H]1CCCC[C@H]1CCC(=O)[O-] ZINC000837295459 1372779524 /nfs/dbraw/zinc/77/95/24/1372779524.db2.gz KYKYWCHODBRUQE-UTLUCORTSA-N -2 0 331.356 2.280 20 0 EEADRL CC(C)COC(=O)Nc1ccc(NCCOP(=O)([O-])[O-])cc1 ZINC001168591143 790751428 /nfs/dbraw/zinc/75/14/28/790751428.db2.gz JDJAHGNRGZKXEE-UHFFFAOYSA-N -2 0 332.293 2.412 20 0 EEADRL O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000908990730 785921105 /nfs/dbraw/zinc/92/11/05/785921105.db2.gz XTFROBXMRWFYCA-JTQLQIEISA-N -2 0 345.754 2.281 20 0 EEADRL CSc1ccc(C)c(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1 ZINC000910187183 786519525 /nfs/dbraw/zinc/51/95/25/786519525.db2.gz BLACMGYNRFYAOF-ZWNOBZJWSA-N -2 0 337.397 2.107 20 0 EEADRL COc1cccc2nn(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c(N)c21 ZINC001176236967 798389866 /nfs/dbraw/zinc/38/98/66/798389866.db2.gz QZKHUMYVWMQLFP-UHFFFAOYSA-N -2 0 327.296 2.013 20 0 EEADRL O=C([O-])c1cc(Nc2cccc3c2NC(=O)CO3)cc(C(=O)[O-])c1 ZINC001176242534 798392435 /nfs/dbraw/zinc/39/24/35/798392435.db2.gz ZJISYXVGUJFCMW-UHFFFAOYSA-N -2 0 328.280 2.158 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cccn3nccc23)cc1C(=O)[O-] ZINC001184669603 802104592 /nfs/dbraw/zinc/10/45/92/802104592.db2.gz FOSMYWJWZYXMCL-UHFFFAOYSA-N -2 0 331.353 2.142 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cn(CC3CCC3)cn2)cc1C(=O)[O-] ZINC001184670121 802104623 /nfs/dbraw/zinc/10/46/23/802104623.db2.gz MFQPFIDEUIEKEM-UHFFFAOYSA-N -2 0 349.412 2.491 20 0 EEADRL Cc1ccncc1[N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000321585537 970785255 /nfs/dbraw/zinc/78/52/55/970785255.db2.gz DNKAWEZREJRIGP-UHFFFAOYSA-N -2 0 332.381 2.307 20 0 EEADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000322947807 970950438 /nfs/dbraw/zinc/95/04/38/970950438.db2.gz JSWJBZJFOMLMBJ-UHFFFAOYSA-N -2 0 332.337 2.066 20 0 EEADRL O=C([O-])CN(CC1CC1)C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001595072048 951603048 /nfs/dbraw/zinc/60/30/48/951603048.db2.gz JTNUYWPVPSRAIZ-UHFFFAOYSA-N -2 0 349.774 2.168 20 0 EEADRL C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cccc(Br)c1[O-] ZINC001589303000 953704618 /nfs/dbraw/zinc/70/46/18/953704618.db2.gz NLCLWKNPEQSBAY-DTWKUNHWSA-N -2 0 342.189 2.480 20 0 EEADRL C[C@@H](CN(C)C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C(=O)[O-] ZINC001589033206 955534479 /nfs/dbraw/zinc/53/44/79/955534479.db2.gz ZGPQMHLULUFDBG-VIFPVBQESA-N -2 0 337.763 2.024 20 0 EEADRL CC1(C(=O)[O-])CC[NH+](Cc2ncc(Br)cc2O)CC1 ZINC001589200547 956630708 /nfs/dbraw/zinc/63/07/08/956630708.db2.gz PPRKNLBYQXIHRL-UHFFFAOYSA-N -2 0 329.194 2.236 20 0 EEADRL CC(C)[C@H](NC(=O)c1cc(Br)c(F)cc1[O-])C(=O)[O-] ZINC001573558063 959256194 /nfs/dbraw/zinc/25/61/94/959256194.db2.gz CQLRICOZODUFQI-JTQLQIEISA-N -2 0 334.141 2.133 20 0 EEADRL Cc1cc(C)nc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)n1 ZINC000314134316 963715702 /nfs/dbraw/zinc/71/57/02/963715702.db2.gz GPQLZUUSRAFJAW-UHFFFAOYSA-N -2 0 341.776 2.246 20 0 EEADRL CC(C)c1nnc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])o1 ZINC001592075580 976823827 /nfs/dbraw/zinc/82/38/27/976823827.db2.gz HUKDVYVBSOVEAN-UHFFFAOYSA-N -2 0 345.764 2.345 20 0 EEADRL CC(C)n1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])n1 ZINC001592142495 976987657 /nfs/dbraw/zinc/98/76/57/976987657.db2.gz DBKDZFPHWCFEQZ-UHFFFAOYSA-N -2 0 327.337 2.102 20 0 EEADRL C[C@@H](Cc1ccc(NC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1)C(=O)[O-] ZINC001592861545 979700190 /nfs/dbraw/zinc/70/01/90/979700190.db2.gz UARQBVABSGCNCF-AAEUAGOBSA-N -2 0 334.372 2.278 20 0 EEADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)[C@H](C)C(C)C ZINC001599948564 985569880 /nfs/dbraw/zinc/56/98/80/985569880.db2.gz PYFCEAIUYJOMNG-GHMZBOCLSA-N -2 0 329.418 2.360 20 0 EEADRL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)NC[C@H](C(=O)[O-])C2CCC2)C1 ZINC001589609606 987454974 /nfs/dbraw/zinc/45/49/74/987454974.db2.gz HSBMQPOTEZVBHL-OLZOCXBDSA-N -2 0 340.420 2.020 20 0 EEADRL CC(C)(CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)C1CC1 ZINC001590621597 990302944 /nfs/dbraw/zinc/30/29/44/990302944.db2.gz HGEUFSQNCNXKFI-UHFFFAOYSA-N -2 0 331.415 2.078 20 0 EEADRL COc1cncc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2C)c1 ZINC001599728145 991664299 /nfs/dbraw/zinc/66/42/99/991664299.db2.gz IZYABTUKMUEAEH-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL CC(C)C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001591444861 992544056 /nfs/dbraw/zinc/54/40/56/992544056.db2.gz ZSTGYRLRDPWUQJ-ZIAGYGMSSA-N -2 0 339.413 2.013 20 0 EEADRL C[C@H](NC(=O)N1CCC[C@](C)(C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593064321 993598838 /nfs/dbraw/zinc/59/88/38/993598838.db2.gz RZUDVWDWRMPKPG-PXDYOCJYSA-N -2 0 340.420 2.018 20 0 EEADRL COc1ccc2ccc(OS(=O)(=O)c3cc(C(=O)[O-])n[n-]3)cc2c1 ZINC001599636727 994299263 /nfs/dbraw/zinc/29/92/63/994299263.db2.gz STRZUIQIYXYRTC-UHFFFAOYSA-N -2 0 348.336 2.037 20 0 EEADRL C[C@]1(C(=O)[O-])CCCN(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)C1 ZINC001593768634 996453876 /nfs/dbraw/zinc/45/38/76/996453876.db2.gz ODJUXQLDXJZTCX-DEYYWGMASA-N -2 0 346.383 2.196 20 0 EEADRL Cc1[n-]n(-c2ccc(F)cc2Br)c(=O)c1CC(=O)[O-] ZINC001594113254 998222159 /nfs/dbraw/zinc/22/21/59/998222159.db2.gz GVOHFTDCQHSKSL-MRVPVSSYSA-N -2 0 329.125 2.402 20 0 EEADRL C[C@H]1CC[C@@H](C(=O)[O-])CN1c1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001594297534 999147639 /nfs/dbraw/zinc/14/76/39/999147639.db2.gz XROMBYKBANRSNC-JGVFFNPUSA-N -2 0 332.278 2.488 20 0 EEADRL CCn1nc(C)c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1C ZINC000266061790 248070208 /nfs/dbraw/zinc/07/02/08/248070208.db2.gz VHKKNTFTFHBHKK-UHFFFAOYSA-N -2 0 341.364 2.158 20 0 EEADRL CCc1ncc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)s1 ZINC000359107816 164061007 /nfs/dbraw/zinc/06/10/07/164061007.db2.gz WQQWZGWTSCPBCT-UHFFFAOYSA-N -2 0 330.362 2.344 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cccc2c1OCO2 ZINC000359845032 164183346 /nfs/dbraw/zinc/18/33/46/164183346.db2.gz FJDBRRFSVWQKDQ-UHFFFAOYSA-N -2 0 335.337 2.223 20 0 EEADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccn(C(C)C)n2)c1 ZINC000280956993 274613908 /nfs/dbraw/zinc/61/39/08/274613908.db2.gz KFAIUBBZCUKFPY-UHFFFAOYSA-N -2 0 341.364 2.411 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cn(C)nc2C2CC2)cc1C(=O)[O-] ZINC000291104063 275270751 /nfs/dbraw/zinc/27/07/51/275270751.db2.gz MAPRUILYVCVYRU-UHFFFAOYSA-N -2 0 335.385 2.105 20 0 EEADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2cccc(Cl)c2O)c1 ZINC000437007483 315022741 /nfs/dbraw/zinc/02/27/41/315022741.db2.gz YMIHRWZYJODZGH-UHFFFAOYSA-N -2 0 343.744 2.250 20 0 EEADRL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000516474917 316561180 /nfs/dbraw/zinc/56/11/80/316561180.db2.gz AZQSXONWPLFQMA-SSDOTTSWSA-N -2 0 341.763 2.397 20 0 EEADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1O ZINC000532207168 317848265 /nfs/dbraw/zinc/84/82/65/317848265.db2.gz FWNSICXGLLESNT-UHFFFAOYSA-N -2 0 331.346 2.400 20 0 EEADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cncc(F)c2)ccc1Cl ZINC000044260743 463672388 /nfs/dbraw/zinc/67/23/88/463672388.db2.gz QNFUNBZFISCEBX-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL CC(C)(C)c1ncc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cn1 ZINC000063850117 462676953 /nfs/dbraw/zinc/67/69/53/462676953.db2.gz KOVNGNPMJLTODN-UHFFFAOYSA-N -2 0 335.385 2.273 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c[nH]nc21 ZINC000024425487 463084908 /nfs/dbraw/zinc/08/49/08/463084908.db2.gz OGSLHQLOMFRVGV-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c[nH]nc21 ZINC000031668211 463349471 /nfs/dbraw/zinc/34/94/71/463349471.db2.gz PEQHCWDXVVZGOH-UHFFFAOYSA-N -2 0 347.352 2.076 20 0 EEADRL Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000126768196 463662037 /nfs/dbraw/zinc/66/20/37/463662037.db2.gz ZIJYSUYIEBDOGD-UHFFFAOYSA-N -2 0 340.332 2.499 20 0 EEADRL CC(C)n1cc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cn1 ZINC000356713009 465502721 /nfs/dbraw/zinc/50/27/21/465502721.db2.gz RNJVAHCBDHHLHP-UHFFFAOYSA-N -2 0 327.337 2.102 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])cn1 ZINC000348775980 465782953 /nfs/dbraw/zinc/78/29/53/465782953.db2.gz OIJQWGRLDRZSTI-UHFFFAOYSA-N -2 0 329.765 2.055 20 0 EEADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)s1 ZINC000340235805 465907336 /nfs/dbraw/zinc/90/73/36/465907336.db2.gz MYDBDKAHCYUPBB-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000357418274 466019700 /nfs/dbraw/zinc/01/97/00/466019700.db2.gz WRIXONQGLXREAK-UHFFFAOYSA-N -2 0 335.337 2.192 20 0 EEADRL Cc1cc2cccnc2c([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000350277415 466446573 /nfs/dbraw/zinc/44/65/73/466446573.db2.gz FMNAVPOCHDUZHC-UHFFFAOYSA-N -2 0 345.380 2.381 20 0 EEADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000315109310 466557308 /nfs/dbraw/zinc/55/73/08/466557308.db2.gz YBZAZFCBBVHHFN-UHFFFAOYSA-N -2 0 329.305 2.235 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cn1 ZINC000350730776 466590154 /nfs/dbraw/zinc/59/01/54/466590154.db2.gz VTISGTFBQMAQSE-UHFFFAOYSA-N -2 0 340.332 2.118 20 0 EEADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c1 ZINC000427351611 467152690 /nfs/dbraw/zinc/15/26/90/467152690.db2.gz FTXNXKUYJPNOMU-UHFFFAOYSA-N -3 0 345.329 2.084 20 0 EEADRL COc1cccc(C)c1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000435723931 467491037 /nfs/dbraw/zinc/49/10/37/467491037.db2.gz VTAYJMIFCZXHHQ-UHFFFAOYSA-N -2 0 335.381 2.432 20 0 EEADRL C[C@@H]([C@H](NS(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-])C1CC1 ZINC000548995500 468164450 /nfs/dbraw/zinc/16/44/50/468164450.db2.gz RPPZVSWENINSQR-KRTXAFLBSA-N -2 0 335.784 2.257 20 0 EEADRL CC(C)[C@@H](CNC(=O)N=c1ccc(-c2ccccc2)n[n-]1)C(=O)[O-] ZINC000653540955 471658431 /nfs/dbraw/zinc/65/84/31/471658431.db2.gz ZSSDCHUZJLNCPH-CYBMUJFWSA-N -2 0 328.372 2.044 20 0 EEADRL COc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cnc1Cl ZINC000767474240 577537752 /nfs/dbraw/zinc/53/77/52/577537752.db2.gz WVMGFEZJKKEMFN-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL CCn1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cn1 ZINC000737302418 578249213 /nfs/dbraw/zinc/24/92/13/578249213.db2.gz GPXPLRPBTBNHSH-UHFFFAOYSA-N -2 0 329.765 2.055 20 0 EEADRL COCc1csc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)n1 ZINC000737836349 578270559 /nfs/dbraw/zinc/27/05/59/578270559.db2.gz RIUJHILBQAFISO-UHFFFAOYSA-N -2 0 342.398 2.097 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)o1 ZINC000320070990 599738219 /nfs/dbraw/zinc/73/82/19/599738219.db2.gz NIMMLZQOMGRCSP-UHFFFAOYSA-N -2 0 333.325 2.169 20 0 EEADRL CC(C)n1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000314143288 600053354 /nfs/dbraw/zinc/05/33/54/600053354.db2.gz UHFFOMOFSWYOHJ-UHFFFAOYSA-N -2 0 327.337 2.102 20 0 EEADRL CC(C)Cc1n[n-]c(=NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)s1 ZINC000392206199 600111140 /nfs/dbraw/zinc/11/11/40/600111140.db2.gz UMVSFXPJQYMUHM-UHFFFAOYSA-N -2 0 346.412 2.404 20 0 EEADRL Cc1cn2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)ccc2n1 ZINC000832985618 601230474 /nfs/dbraw/zinc/23/04/74/601230474.db2.gz VKYNHNDGCSBXJS-UHFFFAOYSA-N -2 0 335.341 2.043 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000013059824 601354991 /nfs/dbraw/zinc/35/49/91/601354991.db2.gz MVPOJEGSGXCYND-UHFFFAOYSA-N -2 0 335.337 2.192 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)cc1OC ZINC000314428053 601357138 /nfs/dbraw/zinc/35/71/38/601357138.db2.gz GMIXXBPGUZWJKR-UHFFFAOYSA-N -2 0 343.382 2.264 20 0 EEADRL CCCCC[C@@H](NC(=O)CSc1n[n-]c(=S)s1)C(=O)[O-] ZINC000829320544 601746916 /nfs/dbraw/zinc/74/69/16/601746916.db2.gz BQJYKXYQUALVSV-SSDOTTSWSA-N -2 0 335.476 2.069 20 0 EEADRL Cn1cc([N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1C(=O)[O-] ZINC000833052823 601783945 /nfs/dbraw/zinc/78/39/45/601783945.db2.gz KYGQEQYNYJOKNK-UHFFFAOYSA-N -2 0 332.740 2.317 20 0 EEADRL O=C([O-])CCCCCCCNS(=O)(=O)c1cccnc1Cl ZINC000403188213 601961936 /nfs/dbraw/zinc/96/19/36/601961936.db2.gz IKZLZFLKUAAPHL-UHFFFAOYSA-N -2 0 334.825 2.439 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)n[nH]c1C1CC1 ZINC000832903501 602103713 /nfs/dbraw/zinc/10/37/13/602103713.db2.gz JVIRJCSELNKMHE-UHFFFAOYSA-N -2 0 335.385 2.403 20 0 EEADRL CCc1oc(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1C ZINC000830355274 602240301 /nfs/dbraw/zinc/24/03/01/602240301.db2.gz GUHFGKAJLATOFJ-UHFFFAOYSA-N -2 0 343.382 2.029 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)nc1 ZINC000833733144 604990297 /nfs/dbraw/zinc/99/02/97/604990297.db2.gz JIESRNIEQPZYRU-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL CC1(C)Oc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)cc2O1 ZINC000833565008 605185552 /nfs/dbraw/zinc/18/55/52/605185552.db2.gz ZYIUBRSZCKHISU-UHFFFAOYSA-N -2 0 339.325 2.286 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(CC3CC3)c2)c(C(=O)[O-])c1 ZINC000833751414 605189403 /nfs/dbraw/zinc/18/94/03/605189403.db2.gz WZQYZNLWYLYJOW-UHFFFAOYSA-N -2 0 335.385 2.101 20 0 EEADRL CCS(=O)(CC)=NS(=O)(=O)[N-]c1cccc(Cl)c1[O-] ZINC000872354360 1198154664 /nfs/dbraw/zinc/15/46/64/1198154664.db2.gz SCVVGCIKGSFZPA-UHFFFAOYSA-N -2 0 326.827 2.210 20 0 EEADRL CCCCC(=O)[C@H](C)NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189900219 1280571205 /nfs/dbraw/zinc/57/12/05/1280571205.db2.gz VRWBITKIBPAYLN-JTQLQIEISA-N -2 0 329.289 2.036 20 0 EEADRL O=S(=O)(CC1CCCC1)[N-]c1ncc(Br)cc1[O-] ZINC001191481664 1281409756 /nfs/dbraw/zinc/40/97/56/1281409756.db2.gz XASDAKJZDWOVLC-UHFFFAOYSA-N -2 0 335.223 2.482 20 0 EEADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cn3ccccc3n2)cc1 ZINC001192112746 1281801952 /nfs/dbraw/zinc/80/19/52/1281801952.db2.gz FVULKBRKTAGASJ-UHFFFAOYSA-N -2 0 345.380 2.152 20 0 EEADRL CC(C)c1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)on1 ZINC001192683322 1282102850 /nfs/dbraw/zinc/10/28/50/1282102850.db2.gz MOQHACGREPAAMA-UHFFFAOYSA-N -2 0 340.357 2.062 20 0 EEADRL COC(=O)c1cc2nc[nH]c2c(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242161880 1309623593 /nfs/dbraw/zinc/62/35/93/1309623593.db2.gz MMRJFOQWBTYCRK-UHFFFAOYSA-N -2 0 340.291 2.413 20 0 EEADRL O=P([O-])([O-])OCCNC(F)(F)C1(c2ccc(Cl)nc2)CC1 ZINC001157795504 1318865993 /nfs/dbraw/zinc/86/59/93/1318865993.db2.gz NCAHJNAHJZSSAQ-UHFFFAOYSA-N -2 0 342.666 2.058 20 0 EEADRL COc1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1C ZINC001260209697 1319832391 /nfs/dbraw/zinc/83/23/91/1319832391.db2.gz REYIVZSKCSLKBR-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL CCOc1ccncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260209473 1319832952 /nfs/dbraw/zinc/83/29/52/1319832952.db2.gz HBLVAQUSFZNSJT-UHFFFAOYSA-N -2 0 340.332 2.118 20 0 EEADRL CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc([S-])cc1 ZINC001260520595 1319904668 /nfs/dbraw/zinc/90/46/68/1319904668.db2.gz AAOXHXVOOPDUEY-UHFFFAOYSA-N -2 0 343.451 2.180 20 0 EEADRL O=C([O-])CNC(=O)c1ccc(Nc2cccc(C(=O)[O-])c2F)cc1 ZINC001210246265 1325213385 /nfs/dbraw/zinc/21/33/85/1325213385.db2.gz UIAPSJOULVQTIY-UHFFFAOYSA-N -2 0 332.287 2.082 20 0 EEADRL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2cccc(Cl)n2)c1 ZINC001608788040 1351763546 /nfs/dbraw/zinc/76/35/46/1351763546.db2.gz YRQUUIJOMVHOLJ-UHFFFAOYSA-N -2 0 326.761 2.163 20 0 EEADRL O=C([O-])c1cncc([N-]S(=O)(=O)c2cnc3ccccc3c2)c1 ZINC001608981882 1351807614 /nfs/dbraw/zinc/80/76/14/1351807614.db2.gz JDHMSQPOGWWPLE-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL CC(C)[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC001609684596 1352059012 /nfs/dbraw/zinc/05/90/12/1352059012.db2.gz RVVPHMXMCSHCKN-AAEUAGOBSA-N -2 0 333.450 2.148 20 0 EEADRL CC(C)(CS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21)C(=O)[O-] ZINC001609677147 1352056667 /nfs/dbraw/zinc/05/66/67/1352056667.db2.gz OMPGJHLLXBOTKZ-JHJVBQTASA-N -2 0 345.461 2.150 20 0 EEADRL CC[C@@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001609946248 1352126387 /nfs/dbraw/zinc/12/63/87/1352126387.db2.gz CJZADABGBDZKBB-BXUZGUMPSA-N -2 0 339.413 2.406 20 0 EEADRL Cc1n[nH]c(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)c1[O-] ZINC001610547817 1352242686 /nfs/dbraw/zinc/24/26/86/1352242686.db2.gz ITOXCJZQNDIRRK-ZDUSSCGKSA-N -2 0 325.324 2.133 20 0 EEADRL O=C([O-])c1c(F)ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1F ZINC001610806808 1352278003 /nfs/dbraw/zinc/27/80/03/1352278003.db2.gz TUNXAAVRFJRYFF-SFYZADRCSA-N -2 0 325.267 2.269 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)c2ccccc2Cl)c1 ZINC001610849942 1352285153 /nfs/dbraw/zinc/28/51/53/1352285153.db2.gz QCYPQEABDGOPDX-UHFFFAOYSA-N -2 0 339.756 2.157 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)c1 ZINC001610867992 1352287872 /nfs/dbraw/zinc/28/78/72/1352287872.db2.gz QLCJRVUGFJYXCV-NSHDSACASA-N -2 0 331.296 2.263 20 0 EEADRL O=C([N-]OC1CCC1)C1(c2ccc(-c3nn[nH]n3)cc2)CCCC1 ZINC001593166302 1349743778 /nfs/dbraw/zinc/74/37/78/1349743778.db2.gz HASVYMXFQONMTI-UHFFFAOYSA-N -2 0 327.388 2.279 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n[nH]c1C(C)C ZINC001600009102 1349954481 /nfs/dbraw/zinc/95/44/81/1349954481.db2.gz STLNTHUPOKYHIV-UHFFFAOYSA-N -2 0 341.364 2.480 20 0 EEADRL Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)c(C)s1 ZINC001600079276 1349967133 /nfs/dbraw/zinc/96/71/33/1349967133.db2.gz LDYKYCIQSQNRBM-YWFMTQBDSA-N -2 0 337.397 2.003 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001600360309 1350029900 /nfs/dbraw/zinc/02/99/00/1350029900.db2.gz BWFASGMXERKCBT-YPMHNXCESA-N -2 0 341.385 2.078 20 0 EEADRL Cc1ccc([C@H](CNC(=O)[C@H](C(=O)[O-])C2CCCC2)C(=O)[O-])cc1 ZINC001600375736 1350033454 /nfs/dbraw/zinc/03/34/54/1350033454.db2.gz RPEYGQUCPGOBSF-LSDHHAIUSA-N -2 0 333.384 2.170 20 0 EEADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)CCCC1CCCC1 ZINC001601265471 1350244553 /nfs/dbraw/zinc/24/45/53/1350244553.db2.gz NJULLEFTGIZWTO-UHFFFAOYSA-N -2 0 346.430 2.007 20 0 EEADRL O=C([O-])[C@@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)c1cccc(O)c1 ZINC001601395928 1350273765 /nfs/dbraw/zinc/27/37/65/1350273765.db2.gz CBFWBUMTDGSYGK-ZDUSSCGKSA-N -2 0 344.348 2.378 20 0 EEADRL O=C([O-])[C@@H](CC(F)F)[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC001601639865 1350325802 /nfs/dbraw/zinc/32/58/02/1350325802.db2.gz DNTJIKKRXNJFHH-SSDOTTSWSA-N -2 0 329.196 2.281 20 0 EEADRL O=C([O-])c1cccc(C(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)c1 ZINC001602433340 1350518363 /nfs/dbraw/zinc/51/83/63/1350518363.db2.gz YXKNUEXFADJFCQ-UHFFFAOYSA-N -2 0 340.335 2.285 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c1 ZINC001602559319 1350545950 /nfs/dbraw/zinc/54/59/50/1350545950.db2.gz KTBNAFAXEYSADX-UHFFFAOYSA-N -2 0 337.140 2.480 20 0 EEADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccnn2C2CCC2)c1 ZINC001602564873 1350548164 /nfs/dbraw/zinc/54/81/64/1350548164.db2.gz PFRLUONMOPMDTD-UHFFFAOYSA-N -2 0 327.387 2.169 20 0 EEADRL O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)c2cccc(F)c2[O-])C1 ZINC001602626725 1350560932 /nfs/dbraw/zinc/56/09/32/1350560932.db2.gz MFGSKLFDIJLMCD-GOSISDBHSA-N -2 0 329.327 2.400 20 0 EEADRL C[C@@H](/C=C\C(=O)[O-])NC(=O)c1cc(Br)cc(F)c1[O-] ZINC001604058747 1350842985 /nfs/dbraw/zinc/84/29/85/1350842985.db2.gz FXGHPHGNTJIOFC-GFNSNHMOSA-N -2 0 332.125 2.053 20 0 EEADRL CCC(CC)(CC)C(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001604991508 1351047631 /nfs/dbraw/zinc/04/76/31/1351047631.db2.gz CCQITRZFKGUSOG-UHFFFAOYSA-N -2 0 331.390 2.308 20 0 EEADRL CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-] ZINC001605790781 1351224074 /nfs/dbraw/zinc/22/40/74/1351224074.db2.gz YKOZLIJDHSSXNJ-RKDXNWHRSA-N -2 0 325.386 2.481 20 0 EEADRL CSCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cn1C ZINC001607401631 1351487881 /nfs/dbraw/zinc/48/78/81/1351487881.db2.gz IYUIKRFFPOQNSW-UHFFFAOYSA-N -2 0 340.426 2.387 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(C2CC2)nn1 ZINC001607517585 1351509613 /nfs/dbraw/zinc/50/96/13/1351509613.db2.gz CJXWESMISPKZJG-UHFFFAOYSA-N -2 0 333.369 2.161 20 0 EEADRL Cc1cccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c1C(=O)[O-] ZINC001607863078 1351573798 /nfs/dbraw/zinc/57/37/98/1351573798.db2.gz KQIXHUVVPSTOOB-UHFFFAOYSA-N -2 0 335.337 2.192 20 0 EEADRL Cc1cnc([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])s1 ZINC001607910203 1351584347 /nfs/dbraw/zinc/58/43/47/1351584347.db2.gz NSHRRSFWVPGCIK-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nnc(CCC(C)C)o1 ZINC001608042391 1351612297 /nfs/dbraw/zinc/61/22/97/1351612297.db2.gz SXIAUWIETXELLK-UHFFFAOYSA-N -2 0 343.361 2.059 20 0 EEADRL O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)NCC1(C(=O)[O-])CC1 ZINC001608426822 1351692806 /nfs/dbraw/zinc/69/28/06/1351692806.db2.gz QMUUOJKWGIKQOO-UHFFFAOYSA-N -2 0 346.261 2.390 20 0 EEADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CCC[C@H]3CCC[C@H]32)c1 ZINC000906877666 784205050 /nfs/dbraw/zinc/20/50/50/784205050.db2.gz YCJVUGUHSHSNDT-ZYHUDNBSSA-N -2 0 325.386 2.044 20 0 EEADRL COc1cc(NCCOP(=O)([O-])[O-])c(OC)c2ccccc12 ZINC001168596225 791047926 /nfs/dbraw/zinc/04/79/26/791047926.db2.gz RNMQFZSEYNGEMV-UHFFFAOYSA-N -2 0 327.273 2.378 20 0 EEADRL C[C@@H]1CCN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])[C@@H](C(=O)[O-])C1 ZINC000909780780 786242128 /nfs/dbraw/zinc/24/21/28/786242128.db2.gz SFVITVKTMOHWAL-ZWNOBZJWSA-N -2 0 347.346 2.042 20 0 EEADRL Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1Cl ZINC000910188243 786520321 /nfs/dbraw/zinc/52/03/21/786520321.db2.gz KHYISHLHKPPZKC-JQWIXIFHSA-N -2 0 325.748 2.038 20 0 EEADRL Cc1ccc(CCCCC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1 ZINC000910190270 786521848 /nfs/dbraw/zinc/52/18/48/786521848.db2.gz VSQOXJCHBHSQEP-JKSUJKDBSA-N -2 0 347.411 2.484 20 0 EEADRL Cn1c(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])cc2ccccc21 ZINC001148917503 792784379 /nfs/dbraw/zinc/78/43/79/792784379.db2.gz VAZZHDPDAVPOMI-UHFFFAOYSA-N -2 0 346.364 2.383 20 0 EEADRL O=C([O-])c1cc(Nc2cnc(Br)nc2)cc(C(=O)[O-])c1 ZINC001176239072 798390470 /nfs/dbraw/zinc/39/04/70/798390470.db2.gz NXIBYOZDSUKQMP-UHFFFAOYSA-N -2 0 338.117 2.379 20 0 EEADRL COc1ccc([C@H](C)[N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-])c(F)c1 ZINC001180176744 800286915 /nfs/dbraw/zinc/28/69/15/800286915.db2.gz NAOGEKDXMIANFY-LURJTMIESA-N -2 0 341.232 2.367 20 0 EEADRL O=C([O-])C1(NC(=O)c2cccc(Br)c2[O-])CCCC1 ZINC001601429346 970993472 /nfs/dbraw/zinc/99/34/72/970993472.db2.gz BZRZLPRBOFTVLB-UHFFFAOYSA-N -2 0 328.162 2.282 20 0 EEADRL Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000323537425 971013994 /nfs/dbraw/zinc/01/39/94/971013994.db2.gz YYUISWXBMWQWEP-UHFFFAOYSA-N -2 0 340.313 2.304 20 0 EEADRL O=C([O-])[C@@H]1CCC[N@H+](Cc2cc(=O)oc3cc([O-])c(Cl)cc23)C1 ZINC001595164794 952205371 /nfs/dbraw/zinc/20/53/71/952205371.db2.gz XYMJAEOPPRFROG-SECBINFHSA-N -2 0 337.759 2.449 20 0 EEADRL CCC[C@@](C)([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000037908979 957334855 /nfs/dbraw/zinc/33/48/55/957334855.db2.gz HFYAHSVYAJQPKG-GFCCVEGCSA-N -2 0 325.308 2.026 20 0 EEADRL Cc1nc([N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)sc1C ZINC000049099076 957473730 /nfs/dbraw/zinc/47/37/30/957473730.db2.gz NHPCKEKVYCKAJW-UHFFFAOYSA-N -2 0 326.399 2.400 20 0 EEADRL O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000391017618 972312676 /nfs/dbraw/zinc/31/26/76/972312676.db2.gz WKSLQHJYAGVNEA-QHMRUWFYSA-N -2 0 329.274 2.135 20 0 EEADRL CC(C)(C)c1csc([N-]S(=O)(=O)c2scnc2C(=O)[O-])n1 ZINC000134697522 958851813 /nfs/dbraw/zinc/85/18/13/958851813.db2.gz RMBNRMYRAGJBRQ-UHFFFAOYSA-N -2 0 347.443 2.396 20 0 EEADRL CC(C)n1ccc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)n1 ZINC000392183964 972422263 /nfs/dbraw/zinc/42/22/63/972422263.db2.gz OSPNBIGGBRPPAN-UHFFFAOYSA-N -2 0 349.412 2.381 20 0 EEADRL C[C@](Cc1ccc(F)cc1)(NC(=O)c1cc(F)ccc1O)C(=O)[O-] ZINC001571228436 962606576 /nfs/dbraw/zinc/60/65/76/962606576.db2.gz KSHMVTLVVVTDND-QGZVFWFLSA-N -2 0 335.306 2.486 20 0 EEADRL COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000314515318 963763089 /nfs/dbraw/zinc/76/30/89/963763089.db2.gz QEJLOOLBHLKQDY-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC000863955411 969311708 /nfs/dbraw/zinc/31/17/08/969311708.db2.gz LFSYCKJYEBCSAV-MLGOLLRUSA-N -2 0 337.397 2.005 20 0 EEADRL CC(C)c1ccc2occ(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])c2c1 ZINC001591981694 976599038 /nfs/dbraw/zinc/59/90/38/976599038.db2.gz XLOJRHUATYSTKZ-UHFFFAOYSA-N -2 0 339.369 2.091 20 0 EEADRL CC[C@@H](CC(F)F)C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001595041929 979230613 /nfs/dbraw/zinc/23/06/13/979230613.db2.gz GSNYZOKYXLMOSN-JTQLQIEISA-N -2 0 349.355 2.012 20 0 EEADRL CCCC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001595631395 981838187 /nfs/dbraw/zinc/83/81/87/981838187.db2.gz OEHXVXLUEKOVQV-LLVKDONJSA-N -2 0 327.402 2.157 20 0 EEADRL CCCCc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)nc1 ZINC001595796793 982603433 /nfs/dbraw/zinc/60/34/33/982603433.db2.gz HBPHAMJHPMOIOL-UHFFFAOYSA-N -2 0 339.373 2.220 20 0 EEADRL CCCCc1nnc([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)o1 ZINC001595799573 982614837 /nfs/dbraw/zinc/61/48/37/982614837.db2.gz ZCPJFHHEQAMMQM-UHFFFAOYSA-N -2 0 339.373 2.052 20 0 EEADRL CCCc1c(C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)[nH]c(C)c1C(=O)[O-] ZINC001596030685 983300528 /nfs/dbraw/zinc/30/05/28/983300528.db2.gz MRLXCRLOLBNRKM-KOLCDFICSA-N -2 0 336.388 2.157 20 0 EEADRL CCCc1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)s1 ZINC001596095192 983416496 /nfs/dbraw/zinc/41/64/96/983416496.db2.gz FAODUUIJNDJXQT-UHFFFAOYSA-N -2 0 345.377 2.129 20 0 EEADRL CC(=O)c1cc(F)c([O-])c(NC(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC001589271177 985970747 /nfs/dbraw/zinc/97/07/47/985970747.db2.gz QTXHBFTVOCGJMF-UHFFFAOYSA-N -2 0 347.298 2.450 20 0 EEADRL C[C@H](C(=O)[O-])C(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC001589450974 986843204 /nfs/dbraw/zinc/84/32/04/986843204.db2.gz GRMQUVUTVKXTHW-QMMMGPOBSA-N -2 0 334.353 2.096 20 0 EEADRL CCn1ncc(C)c1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC001597957632 989972552 /nfs/dbraw/zinc/97/25/52/989972552.db2.gz ZOLIQQXEFFYPNJ-UHFFFAOYSA-N -2 0 343.792 2.364 20 0 EEADRL CN(Cc1n[n-]c(=O)o1)[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001598536689 992847068 /nfs/dbraw/zinc/84/70/68/992847068.db2.gz KQUOWMUPLZVNNL-JTQLQIEISA-N -2 0 331.250 2.052 20 0 EEADRL CC1(C)CCC(C(=O)N2C[C@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)CC1 ZINC001593871560 996684546 /nfs/dbraw/zinc/68/45/46/996684546.db2.gz YMLQANQDJUKWGE-YNAXMUEKSA-N -2 0 337.416 2.227 20 0 EEADRL CC1=C(C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2C(=O)[O-])CCC1 ZINC001594093531 998054469 /nfs/dbraw/zinc/05/44/69/998054469.db2.gz CZYJJHKITPVLFB-UHFFFAOYSA-N -2 0 343.788 2.344 20 0 EEADRL Cc1[n-]n(-c2ccc(OCC(F)(F)F)cc2)c(=O)c1CC(=O)[O-] ZINC001594113001 998218077 /nfs/dbraw/zinc/21/80/77/998218077.db2.gz ACRRXTMSGJBTFM-LLVKDONJSA-N -2 0 330.262 2.441 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)cn1 ZINC000266381938 248273877 /nfs/dbraw/zinc/27/38/77/248273877.db2.gz AWHZCOLUDYQRTK-UHFFFAOYSA-N -2 0 337.401 2.066 20 0 EEADRL COc1cncc(S(=O)(=O)[N-]c2cc(C)cc(C)c2C(=O)[O-])c1 ZINC000337191660 160610296 /nfs/dbraw/zinc/61/02/96/160610296.db2.gz SOLFSHXKTODROW-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)oc32)c1 ZINC000357331874 163680200 /nfs/dbraw/zinc/68/02/00/163680200.db2.gz AJVNGAGCKAYDQR-UHFFFAOYSA-N -2 0 334.309 2.032 20 0 EEADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000360511843 164326867 /nfs/dbraw/zinc/32/68/67/164326867.db2.gz NZQXNVWROJZIGX-UHFFFAOYSA-N -2 0 337.353 2.290 20 0 EEADRL Cc1nc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)s1 ZINC000433828372 314797776 /nfs/dbraw/zinc/79/77/76/314797776.db2.gz KOQUZGCETAEJNC-UHFFFAOYSA-N -2 0 342.398 2.024 20 0 EEADRL C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000567638126 319399945 /nfs/dbraw/zinc/39/99/45/319399945.db2.gz NTVDUFVTACYLFW-QWRGUYRKSA-N -2 0 347.346 2.042 20 0 EEADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cccc(F)c2)c1 ZINC000058391795 463589854 /nfs/dbraw/zinc/58/98/54/463589854.db2.gz QWPOIDCFEIKJOZ-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL CCOc1ncccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000042793763 463598295 /nfs/dbraw/zinc/59/82/95/463598295.db2.gz LNQFQLMHWZHBHM-UHFFFAOYSA-N -2 0 340.332 2.118 20 0 EEADRL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000348444236 465610134 /nfs/dbraw/zinc/61/01/34/465610134.db2.gz AVYYMXXTKCNYOQ-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL CCc1oncc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000337880015 465650142 /nfs/dbraw/zinc/65/01/42/465650142.db2.gz XLWJTAGMUBNAQP-UHFFFAOYSA-N -2 0 330.749 2.389 20 0 EEADRL O=C([O-])[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000555128266 468459906 /nfs/dbraw/zinc/45/99/06/468459906.db2.gz CFQREBSPUOWEAF-QMMMGPOBSA-N -2 0 337.275 2.117 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)ccc1Cl ZINC000319064256 466593431 /nfs/dbraw/zinc/59/34/31/466593431.db2.gz OJRRLGUTZLDGPD-UHFFFAOYSA-N -2 0 344.776 2.186 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N(C)CCCC(=O)[O-])n1 ZINC000583024726 468631591 /nfs/dbraw/zinc/63/15/91/468631591.db2.gz HQCXIKYXZOJPNH-UHFFFAOYSA-N -2 0 331.372 2.077 20 0 EEADRL CSc1ccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cn1 ZINC000607049502 469665550 /nfs/dbraw/zinc/66/55/50/469665550.db2.gz LGWNGLBSTXWTLM-UHFFFAOYSA-N -2 0 343.368 2.114 20 0 EEADRL C[C@@H](CNC(=O)c1cc(Br)cc(Cl)c1[O-])C(=O)[O-] ZINC000656231930 471643239 /nfs/dbraw/zinc/64/32/39/471643239.db2.gz RGTCTWPWEYOAGF-YFKPBYRVSA-N -2 0 336.569 2.259 20 0 EEADRL CC(C)C[C@H](Nc1cc(N[C@@H](CC(C)C)C(=O)[O-])ncn1)C(=O)[O-] ZINC000662878233 472287638 /nfs/dbraw/zinc/28/76/38/472287638.db2.gz NHSRLOSRKFIKMY-RYUDHWBXSA-N -2 0 338.408 2.299 20 0 EEADRL CC(C)(CCNc1cc(NCCC(C)(C)C(=O)[O-])ncn1)C(=O)[O-] ZINC000662880959 472288822 /nfs/dbraw/zinc/28/88/22/472288822.db2.gz FBUIOXKGLURJEC-UHFFFAOYSA-N -2 0 338.408 2.302 20 0 EEADRL CC(C)(C)CN(CC(=O)[O-])C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000663137155 472369843 /nfs/dbraw/zinc/36/98/43/472369843.db2.gz UBYKCGUXNFEGRE-UHFFFAOYSA-N -2 0 349.362 2.290 20 0 EEADRL CSc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)nc1 ZINC000738212095 578003948 /nfs/dbraw/zinc/00/39/48/578003948.db2.gz HJUIUKWHNFIQGN-UHFFFAOYSA-N -2 0 330.412 2.364 20 0 EEADRL CCc1onc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000759106640 577637228 /nfs/dbraw/zinc/63/72/28/577637228.db2.gz PAEHXXAWAPLHSG-UHFFFAOYSA-N -2 0 328.321 2.184 20 0 EEADRL O=C([O-])[C@@H]1CCCN(C(=O)c2cccc(Br)c2[O-])C1 ZINC000738537577 578018809 /nfs/dbraw/zinc/01/88/09/578018809.db2.gz IVWUJYBYXOLMRC-MRVPVSSYSA-N -2 0 328.162 2.092 20 0 EEADRL CC(C)Sc1ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1 ZINC000736499565 578207902 /nfs/dbraw/zinc/20/79/02/578207902.db2.gz GRTIPLZEYYCLIZ-UHFFFAOYSA-N -2 0 345.442 2.112 20 0 EEADRL C[C@@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000736541689 578210337 /nfs/dbraw/zinc/21/03/37/578210337.db2.gz YSYIKJVWHFNZMP-NSHDSACASA-N -2 0 349.412 2.282 20 0 EEADRL CC[C@@H](CC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])C(C)C ZINC000736893300 578228351 /nfs/dbraw/zinc/22/83/51/578228351.db2.gz WMNOCHFGZHBYKV-VIFPVBQESA-N -2 0 333.431 2.324 20 0 EEADRL CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)n(C)n1 ZINC000737251768 578246206 /nfs/dbraw/zinc/24/62/06/578246206.db2.gz FIWOUYJWTFLHSZ-UHFFFAOYSA-N -2 0 343.792 2.135 20 0 EEADRL CN(C(=O)c1ccc([O-])c(Cl)c1)c1nc(CC(=O)[O-])cs1 ZINC000737338436 578251290 /nfs/dbraw/zinc/25/12/90/578251290.db2.gz BLJOXFZAOWBGBD-UHFFFAOYSA-N -2 0 326.761 2.406 20 0 EEADRL N#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)nc1 ZINC000314886811 600178498 /nfs/dbraw/zinc/17/84/98/600178498.db2.gz LIUBBLORJZXPJK-UHFFFAOYSA-N -2 0 337.744 2.106 20 0 EEADRL CCc1ccc(O)c([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1 ZINC000830253633 600984339 /nfs/dbraw/zinc/98/43/39/600984339.db2.gz IZAYTJXJYFYKJV-UHFFFAOYSA-N -2 0 337.353 2.159 20 0 EEADRL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)C1CCCC1 ZINC000826008758 601141997 /nfs/dbraw/zinc/14/19/97/601141997.db2.gz MTHIWSICECKKSY-LLVKDONJSA-N -2 0 339.413 2.157 20 0 EEADRL O=C([O-])CC1([N-]S(=O)(=O)c2c(F)cccc2F)CCCCC1 ZINC000315198226 601266005 /nfs/dbraw/zinc/26/60/05/601266005.db2.gz BFCVTLROSJDKHD-UHFFFAOYSA-N -2 0 333.356 2.421 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nnc(C3CC3)s2)ccc1F ZINC000833306159 601502868 /nfs/dbraw/zinc/50/28/68/601502868.db2.gz IBPYWFXGGTVZIO-UHFFFAOYSA-N -2 0 343.361 2.054 20 0 EEADRL CC[C@H](C)c1ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1 ZINC000828764185 601598931 /nfs/dbraw/zinc/59/89/31/601598931.db2.gz HRURLTUGBLJSCY-NSHDSACASA-N -2 0 327.402 2.125 20 0 EEADRL CCC[C@@](C)(NC(=O)c1nn(-c2ccccc2F)cc1[O-])C(=O)[O-] ZINC000829194192 602299322 /nfs/dbraw/zinc/29/93/22/602299322.db2.gz YLLPYYZEAPKYQA-MRXNPFEDSA-N -2 0 335.335 2.090 20 0 EEADRL COc1ccc(O)c([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c1 ZINC000832424796 602309706 /nfs/dbraw/zinc/30/97/06/602309706.db2.gz KLSKCADPIFHHRT-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL C[C@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000828221447 602384763 /nfs/dbraw/zinc/38/47/63/602384763.db2.gz PDKYOCKEDVCQGH-WDEREUQCSA-N -2 0 325.386 2.016 20 0 EEADRL O=C([O-])CCc1csc([N-]S(=O)(=O)c2c(F)cccc2F)n1 ZINC000833244153 604626163 /nfs/dbraw/zinc/62/61/63/604626163.db2.gz UJBRRIPEUGSPMT-UHFFFAOYSA-N -2 0 348.352 2.239 20 0 EEADRL Cc1[nH]nc2ncc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)cc12 ZINC000833750941 605052734 /nfs/dbraw/zinc/05/27/34/605052734.db2.gz IFKUAFNFSUXKEM-UHFFFAOYSA-N -2 0 346.368 2.074 20 0 EEADRL COc1cc(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])cc(Cl)c1O ZINC000909677457 692479129 /nfs/dbraw/zinc/47/91/29/692479129.db2.gz MVTCYKWWTRFHNI-PLMOITTCSA-N -2 0 339.775 2.380 20 0 EEADRL C[C@@H](CCNS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000129264396 1201767533 /nfs/dbraw/zinc/76/75/33/1201767533.db2.gz YQIKRNWVGNGHDT-ZETCQYMHSA-N -2 0 326.201 2.383 20 0 EEADRL C[C@@]1(F)CCN(C(=O)c2ccccc2OP(=O)([O-])[O-])C[C@@H]1F ZINC001189870312 1280529630 /nfs/dbraw/zinc/52/96/30/1280529630.db2.gz DUTPDDZJUFEGIL-WCQYABFASA-N -2 0 335.243 2.070 20 0 EEADRL Cc1ccc([C@@H](C)NC(=O)c2ccccc2OP(=O)([O-])[O-])nc1 ZINC001189900307 1280571265 /nfs/dbraw/zinc/57/12/65/1280571265.db2.gz ZOBDNGHVFMESSX-LLVKDONJSA-N -2 0 336.284 2.353 20 0 EEADRL Cc1cc(=O)n(-c2ccc(-c3cc(C(=O)[O-])cc(F)c3C)nn2)[n-]1 ZINC001242208235 1309635596 /nfs/dbraw/zinc/63/55/96/1309635596.db2.gz FHBNVCDLXTWTKF-UHFFFAOYSA-N -2 0 328.303 2.402 20 0 EEADRL O=c1cc(C2CC(F)(F)C2)[n-]n1-c1ccc(S(=O)(=O)[O-])cc1 ZINC001245925343 1310189088 /nfs/dbraw/zinc/18/90/88/1310189088.db2.gz QQWWJVDQFVQUNK-UHFFFAOYSA-N -2 0 330.312 2.337 20 0 EEADRL O=c1cc(-c2ccc(O)cc2)[n-]n1-c1cccc(S(=O)(=O)[O-])c1 ZINC001245942972 1310193529 /nfs/dbraw/zinc/19/35/29/1310193529.db2.gz BPNXGDIDRJECEI-UHFFFAOYSA-N -2 0 332.337 2.197 20 0 EEADRL Nc1ccccc1-c1cc(=O)n(-c2cccc(S(=O)(=O)[O-])c2)[n-]1 ZINC001245947333 1310195125 /nfs/dbraw/zinc/19/51/25/1310195125.db2.gz WTLJSMFAPQRSBL-UHFFFAOYSA-N -2 0 331.353 2.074 20 0 EEADRL COC(=O)c1ccccc1S(=O)(=O)[N-]c1cc([O-])c(F)c(F)c1 ZINC001254038732 1317988706 /nfs/dbraw/zinc/98/87/06/1317988706.db2.gz ULRNWLFLMIQKHI-UHFFFAOYSA-N -2 0 343.307 2.258 20 0 EEADRL O=P([O-])([O-])OCCNc1nc2cc(F)c(F)cc2nc1Cl ZINC001157786871 1318860401 /nfs/dbraw/zinc/86/04/01/1318860401.db2.gz CWFUFCNIELFYMF-UHFFFAOYSA-N -2 0 339.622 2.083 20 0 EEADRL Nc1ccc(F)cc1S(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1 ZINC001209893415 1325087448 /nfs/dbraw/zinc/08/74/48/1325087448.db2.gz HKFVNCPQECLBDA-UHFFFAOYSA-N -2 0 328.296 2.046 20 0 EEADRL O=C([O-])c1cc2cc(NC(=O)C(=O)[N-]OC3CCC3)ccc2s1 ZINC001608484215 1351702518 /nfs/dbraw/zinc/70/25/18/1351702518.db2.gz HDZUJKMGNFNUEG-UHFFFAOYSA-N -2 0 334.353 2.138 20 0 EEADRL O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1cc(C(=O)[O-])co1 ZINC001608705413 1351745517 /nfs/dbraw/zinc/74/55/17/1351745517.db2.gz LPDIUMYJHXBKML-ZDUSSCGKSA-N -2 0 331.324 2.184 20 0 EEADRL O=C([O-])c1cnc(S(=O)(=O)[C@@H]2CCc3c2cccc3Cl)[n-]1 ZINC001608831516 1351773938 /nfs/dbraw/zinc/77/39/38/1351773938.db2.gz YAFTXJWSSNNMJH-LLVKDONJSA-N -2 0 326.761 2.223 20 0 EEADRL O=C([O-])c1ccc(CNCc2ncc(Br)cc2[O-])o1 ZINC001608887114 1351787230 /nfs/dbraw/zinc/78/72/30/1351787230.db2.gz BOQVUMNUCFLVBA-UHFFFAOYSA-N -2 0 327.134 2.131 20 0 EEADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001609716030 1352066906 /nfs/dbraw/zinc/06/69/06/1352066906.db2.gz PBEAHVWBEAHMBY-QMMMGPOBSA-N -2 0 338.307 2.088 20 0 EEADRL CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(F)(F)F ZINC001609901900 1352115249 /nfs/dbraw/zinc/11/52/49/1352115249.db2.gz VOJLPNKTAPKIRZ-IMTBSYHQSA-N -2 0 329.296 2.233 20 0 EEADRL CCc1ccc(O)c([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)c1 ZINC001610062844 1352153201 /nfs/dbraw/zinc/15/32/01/1352153201.db2.gz ONOASUNORMTDID-UHFFFAOYSA-N -2 0 336.369 2.157 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC001610078032 1352156985 /nfs/dbraw/zinc/15/69/85/1352156985.db2.gz SOMSQWPVNBCSRH-UHFFFAOYSA-N -2 0 339.325 2.070 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3=O)cc1C(=O)[O-] ZINC001610587218 1352249968 /nfs/dbraw/zinc/24/99/68/1352249968.db2.gz GQFZSBBYFUASIZ-UHFFFAOYSA-N -2 0 335.337 2.216 20 0 EEADRL O=C([O-])[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)Nc1nc2ccccc2s1 ZINC001610743853 1352267493 /nfs/dbraw/zinc/26/74/93/1352267493.db2.gz BZGFGSFSDPOCJZ-WCBMZHEXSA-N -2 0 349.368 2.078 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n[nH]c1C(F)(F)F ZINC001600007723 1349954044 /nfs/dbraw/zinc/95/40/44/1349954044.db2.gz MTXMWGDTBJORPT-UHFFFAOYSA-N -2 0 349.290 2.236 20 0 EEADRL Cc1[nH]c(C(=O)[O-])cc1C([O-])=CS(=O)(=O)Cc1ccc(C)cc1C ZINC001600422069 1350047191 /nfs/dbraw/zinc/04/71/91/1350047191.db2.gz SFDQBACFLBPKGB-UHFFFAOYSA-N -2 0 349.408 2.436 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ccnn1C1CC1 ZINC001600654967 1350108791 /nfs/dbraw/zinc/10/87/91/1350108791.db2.gz PCCJMUWTUKKHHX-UHFFFAOYSA-N -2 0 327.387 2.087 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cccc2c1OCO2 ZINC001600655126 1350108804 /nfs/dbraw/zinc/10/88/04/1350108804.db2.gz RNUAUKZVGXQOEB-UHFFFAOYSA-N -2 0 341.366 2.284 20 0 EEADRL O=C([O-])[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[O-])C1CCOCC1 ZINC001601394305 1350273241 /nfs/dbraw/zinc/27/32/41/1350273241.db2.gz KOMPGZKMFLOBEY-LLVKDONJSA-N -2 0 348.182 2.309 20 0 EEADRL O=C([O-])C1CC2(C1)C[C@@H](NC(=O)c1ccc(F)cc1[O-])CCS2 ZINC001601445275 1350285064 /nfs/dbraw/zinc/28/50/64/1350285064.db2.gz GQXPSYNJZIYVOB-UTJYPRCQSA-N -2 0 339.388 2.390 20 0 EEADRL O=C([O-])c1n[nH]c2ccc(NC(=O)c3s[n-]c(=O)c3Cl)cc21 ZINC001601611904 1350319160 /nfs/dbraw/zinc/31/91/60/1350319160.db2.gz LSWODSKKZOBEGD-UHFFFAOYSA-N -2 0 338.732 2.329 20 0 EEADRL O=C([O-])C1CC2(C1)CN(C(=O)C1CC3(C1)CCCCC3)C[C@@H]2C(=O)[O-] ZINC001601783003 1350364017 /nfs/dbraw/zinc/36/40/17/1350364017.db2.gz RKGGSSSUKYJDFV-SHYRYGCCSA-N -2 0 349.427 2.371 20 0 EEADRL O=C([O-])/C=C/c1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)co1 ZINC001601870841 1350386145 /nfs/dbraw/zinc/38/61/45/1350386145.db2.gz DXEATHONMRPLSF-JEFPTHFSSA-N -2 0 347.367 2.483 20 0 EEADRL O=C([O-])c1ccc2c(c1)CCN(C(=O)NC1CCC(C(=O)[O-])CC1)C2 ZINC001602416921 1350514541 /nfs/dbraw/zinc/51/45/41/1350514541.db2.gz YZBKRAJMVGNGPV-UHFFFAOYSA-N -2 0 346.383 2.096 20 0 EEADRL O=C([O-])c1coc(CNC(=O)c2cccc(C(F)(F)F)c2[O-])n1 ZINC001602554331 1350545058 /nfs/dbraw/zinc/54/50/58/1350545058.db2.gz CLFLBRDDLPFDRJ-UHFFFAOYSA-N -2 0 330.218 2.027 20 0 EEADRL O=C([O-])c1coc(CNS(=O)(=O)Cc2c(F)cccc2Cl)c1 ZINC001602556417 1350545404 /nfs/dbraw/zinc/54/54/04/1350545404.db2.gz KTMXVIAAJYZVQY-UHFFFAOYSA-N -2 0 347.751 2.390 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)NC[C@@H]2CCCCC(F)(F)C2)c1 ZINC001602556314 1350545479 /nfs/dbraw/zinc/54/54/79/1350545479.db2.gz HFADMMBJDZSBMS-SECBINFHSA-N -2 0 337.344 2.472 20 0 EEADRL CC(C)c1ccc(NC(=O)C[C@]2(C(=O)[O-])CCOC2)c(C(=O)[O-])c1 ZINC001604002121 1350826583 /nfs/dbraw/zinc/82/65/83/1350826583.db2.gz JCTPTMMLURJPCX-QGZVFWFLSA-N -2 0 335.356 2.328 20 0 EEADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)NC(C)(C)C(=O)[O-])n2)c1 ZINC001604004036 1350827408 /nfs/dbraw/zinc/82/74/08/1350827408.db2.gz FDOSGBGLBOWRFR-UHFFFAOYSA-N -2 0 331.372 2.294 20 0 EEADRL CC(C)c1ccsc1C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001604010373 1350828948 /nfs/dbraw/zinc/82/89/48/1350828948.db2.gz PQFJXIWXRCJECB-UHFFFAOYSA-N -2 0 333.431 2.042 20 0 EEADRL CC(C)c1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)s1 ZINC001604026521 1350833303 /nfs/dbraw/zinc/83/33/03/1350833303.db2.gz GHEBUWRKAGZNDB-UHFFFAOYSA-N -2 0 345.377 2.300 20 0 EEADRL CC1(C(=O)[N-]S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)CCCCC1 ZINC001604487108 1350948333 /nfs/dbraw/zinc/94/83/33/1350948333.db2.gz CVDHTSKSEMZIAW-UHFFFAOYSA-N -2 0 340.401 2.128 20 0 EEADRL C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cc(Br)cc(F)c1[O-] ZINC001604633603 1350973823 /nfs/dbraw/zinc/97/38/23/1350973823.db2.gz BNRQYSPRHZLWHS-HTRCEHHLSA-N -2 0 346.152 2.229 20 0 EEADRL CC[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001604983438 1351045687 /nfs/dbraw/zinc/04/56/87/1351045687.db2.gz PTWWZMCMAIEZPK-VIFPVBQESA-N -2 0 333.431 2.324 20 0 EEADRL CCc1cccc(C(=O)[O-])c1NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC001605826374 1351229608 /nfs/dbraw/zinc/22/96/08/1351229608.db2.gz IQYWFTWNKZKFFF-UHFFFAOYSA-N -2 0 345.399 2.274 20 0 EEADRL CN(CCCC(=O)[O-])C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001606114859 1351272800 /nfs/dbraw/zinc/27/28/00/1351272800.db2.gz OWZVVJQPPPEZLQ-AWEZNQCLSA-N -2 0 336.388 2.345 20 0 EEADRL COCc1cccc(S(=O)(=O)[N-]c2sccc2C(=O)[O-])c1 ZINC001606965397 1351386164 /nfs/dbraw/zinc/38/61/64/1351386164.db2.gz BGHBAENACVEBAE-UHFFFAOYSA-N -2 0 327.383 2.394 20 0 EEADRL Cc1cc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])oc1C(=O)[O-] ZINC001607571333 1351517633 /nfs/dbraw/zinc/51/76/33/1351517633.db2.gz NCXGCWGUEAPCBE-ZDUSSCGKSA-N -2 0 329.308 2.110 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cnn3c2CCCC3)ccc1C(=O)[O-] ZINC001607707835 1351543306 /nfs/dbraw/zinc/54/33/06/1351543306.db2.gz HNFSORNTTWLUIW-UHFFFAOYSA-N -2 0 335.385 2.027 20 0 EEADRL O=P([O-])([O-])OCCNC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC001201169323 1368787896 /nfs/dbraw/zinc/78/78/96/1368787896.db2.gz YNLNLEOUSUMNRY-UHFFFAOYSA-N -2 0 345.144 2.389 20 0 EEADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000906987437 784302874 /nfs/dbraw/zinc/30/28/74/784302874.db2.gz KYKONDPOFFZRCV-CQSZACIVSA-N -2 0 337.397 2.044 20 0 EEADRL Cc1ccc([C@@H]2C[C@H]2C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1C ZINC000910181030 786513751 /nfs/dbraw/zinc/51/37/51/786513751.db2.gz BRSILRMTYMHXCB-JONQDZQNSA-N -2 0 345.395 2.183 20 0 EEADRL CC[C@H](Cc1ccccc1C)C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910182427 786514370 /nfs/dbraw/zinc/51/43/70/786514370.db2.gz HYURQHZYOVPVFX-VNQPRFMTSA-N -2 0 347.411 2.340 20 0 EEADRL CC(C)(C)c1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])s1 ZINC000910184643 786516611 /nfs/dbraw/zinc/51/66/11/786516611.db2.gz QXMBTLGOTCDJKK-NXEZZACHSA-N -2 0 339.413 2.436 20 0 EEADRL Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c(Cl)c1 ZINC000910186020 786517407 /nfs/dbraw/zinc/51/74/07/786517407.db2.gz MDLHJNFOMIDOQO-JOYOIKCWSA-N -2 0 325.748 2.038 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2csc3c2CCCC3)C1 ZINC000910186686 786518653 /nfs/dbraw/zinc/51/86/53/786518653.db2.gz VAQKQGYCFPYAOM-SKDRFNHKSA-N -2 0 337.397 2.017 20 0 EEADRL COc1ccc(Nc2ccc(C(=O)[O-])s2)c(S(=O)(=O)[O-])c1 ZINC001174807551 797897005 /nfs/dbraw/zinc/89/70/05/797897005.db2.gz MDOXICGNZOUTLV-UHFFFAOYSA-N -2 0 329.355 2.445 20 0 EEADRL O=C([O-])c1cc(Nc2cccnc2N2CCOCC2)cc(C(=O)[O-])c1 ZINC001176236076 798389189 /nfs/dbraw/zinc/38/91/89/798389189.db2.gz AFXZRBYTOKDDKG-UHFFFAOYSA-N -2 0 343.339 2.058 20 0 EEADRL COc1ccc2nc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)nnc2c1 ZINC001176236266 798389346 /nfs/dbraw/zinc/38/93/46/798389346.db2.gz KMVVPCOFKHRHKO-UHFFFAOYSA-N -2 0 340.295 2.173 20 0 EEADRL CCOc1ccncc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184664876 802124444 /nfs/dbraw/zinc/12/44/44/802124444.db2.gz WLKNTOXYQKWKTL-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cnc3occc3c2)cc1C(=O)[O-] ZINC001185278708 802434648 /nfs/dbraw/zinc/43/46/48/802434648.db2.gz RBPWABFBBNIMTF-UHFFFAOYSA-N -2 0 348.336 2.335 20 0 EEADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1O ZINC000793412731 810306620 /nfs/dbraw/zinc/30/66/20/810306620.db2.gz SNELBYXVIQPMSK-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000322722294 970923085 /nfs/dbraw/zinc/92/30/85/970923085.db2.gz VXPNTUUYFGHLNB-UHFFFAOYSA-N -2 0 340.313 2.304 20 0 EEADRL O=C([O-])C1(c2ccc(S(=O)(=O)[N-]c3cncc(F)c3)cc2)CC1 ZINC000323827575 971043113 /nfs/dbraw/zinc/04/31/13/971043113.db2.gz SKLATQQHAVZIAV-UHFFFAOYSA-N -2 0 336.344 2.138 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)c2cccnc12 ZINC000325709498 951090149 /nfs/dbraw/zinc/09/01/49/951090149.db2.gz VBOFONUOGZEACJ-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000863951915 955924455 /nfs/dbraw/zinc/92/44/55/955924455.db2.gz XIPWVZXWLIOYTB-AWEZNQCLSA-N -2 0 335.381 2.002 20 0 EEADRL Cc1cccnc1[N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000391198606 972323474 /nfs/dbraw/zinc/32/34/74/972323474.db2.gz OQRAMHXFKQCGEU-UHFFFAOYSA-N -2 0 332.381 2.307 20 0 EEADRL CC(=O)c1ccc([O-])c(NC(=O)c2cccc(OCC(=O)[O-])c2)c1 ZINC001588531639 958900849 /nfs/dbraw/zinc/90/08/49/958900849.db2.gz LGJNYXOJKAYYJI-UHFFFAOYSA-N -2 0 329.308 2.311 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c2cccnc12 ZINC000392094232 972409086 /nfs/dbraw/zinc/40/90/86/972409086.db2.gz DJVBDEIJIYBICW-UHFFFAOYSA-N -2 0 345.380 2.381 20 0 EEADRL O=C([O-])C1(CNC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])CCC1 ZINC001605761146 972425008 /nfs/dbraw/zinc/42/50/08/972425008.db2.gz PORVRFQNNLHYAJ-UHFFFAOYSA-N -2 0 349.774 2.216 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccnn1C1CCC1 ZINC001185879907 960531117 /nfs/dbraw/zinc/53/11/17/960531117.db2.gz VUNRYBPIXCZHLG-UHFFFAOYSA-N -2 0 335.385 2.416 20 0 EEADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@H]3C[C@H](C(=O)[O-])C3)n2)cc1 ZINC001588963160 962633833 /nfs/dbraw/zinc/63/38/33/962633833.db2.gz WIYKNEOWXVWKRE-JOCQHMNTSA-N -2 0 343.383 2.294 20 0 EEADRL CC(C)(CNS(=O)(=O)c1scnc1C(=O)[O-])C1=CCCC1 ZINC000308768032 963301356 /nfs/dbraw/zinc/30/13/56/963301356.db2.gz JIMHMTRSXNTATG-UHFFFAOYSA-N -2 0 330.431 2.256 20 0 EEADRL Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccsc1C(=O)[O-] ZINC000314284279 963736319 /nfs/dbraw/zinc/73/63/19/963736319.db2.gz WKENKFYXACPVHJ-UHFFFAOYSA-N -2 0 342.354 2.464 20 0 EEADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)NCCCCC(=O)[O-] ZINC001591947511 976490658 /nfs/dbraw/zinc/49/06/58/976490658.db2.gz MAMKQPOWHCAFRE-UHFFFAOYSA-N -2 0 343.401 2.041 20 0 EEADRL C[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001592465670 978207624 /nfs/dbraw/zinc/20/76/24/978207624.db2.gz IWGNMNZLWKJTCO-LLVKDONJSA-N -2 0 333.450 2.150 20 0 EEADRL C[C@@](CNC(=O)Cc1ccccc1C(=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001592653701 978634664 /nfs/dbraw/zinc/63/46/64/978634664.db2.gz OHAKPWCCGRGBHU-IBGZPJMESA-N -2 0 341.363 2.086 20 0 EEADRL CCCc1c(C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)[nH]c(C)c1C(=O)[O-] ZINC001596030687 983300609 /nfs/dbraw/zinc/30/06/09/983300609.db2.gz MRLXCRLOLBNRKM-MWLCHTKSSA-N -2 0 336.388 2.157 20 0 EEADRL CC(=O)c1ccc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)cc1C ZINC001589291087 986035322 /nfs/dbraw/zinc/03/53/22/986035322.db2.gz QDXVUNCWENABNZ-UHFFFAOYSA-N -2 0 334.353 2.092 20 0 EEADRL C[C@@H](C(=O)[O-])c1ccc(NC(=O)C(C)(C)SCC(=O)[O-])cc1 ZINC001589502728 987105597 /nfs/dbraw/zinc/10/55/97/987105597.db2.gz IZODZNQNJCADCE-SECBINFHSA-N -2 0 325.386 2.410 20 0 EEADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccns2)cc1 ZINC001589641204 987563750 /nfs/dbraw/zinc/56/37/50/987563750.db2.gz MRLRIALWFMFYIX-UHFFFAOYSA-N -2 0 326.399 2.306 20 0 EEADRL CCc1cnc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)o1 ZINC001597632324 988603410 /nfs/dbraw/zinc/60/34/10/988603410.db2.gz RWQOVOSBIPNMMX-UHFFFAOYSA-N -2 0 330.749 2.389 20 0 EEADRL CC(C)(C)OC(=O)c1cc(C(=O)Nc2ccc(C(=O)[O-])c(O)c2)n[n-]1 ZINC001590362623 989814497 /nfs/dbraw/zinc/81/44/97/989814497.db2.gz BVKHHRFDMNOWBG-UHFFFAOYSA-N -2 0 347.327 2.021 20 0 EEADRL CC(C)C[C@H](C)CC(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001591133646 991834338 /nfs/dbraw/zinc/83/43/38/991834338.db2.gz JLCQULLAMQMPMH-NSHDSACASA-N -2 0 342.417 2.230 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2C(=O)[O-])cn1 ZINC001599598119 993775967 /nfs/dbraw/zinc/77/59/67/993775967.db2.gz KJSFAXBMZCAQPY-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL C[C@H](c1nc(C(=O)[O-])co1)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC001593725511 996279285 /nfs/dbraw/zinc/27/92/85/996279285.db2.gz QVWOFFUDMPJGEV-SSDOTTSWSA-N -2 0 334.357 2.276 20 0 EEADRL CC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)CC(F)(F)C1 ZINC001594027589 997578899 /nfs/dbraw/zinc/57/88/99/997578899.db2.gz LJABRVICOIFARY-UHFFFAOYSA-N -2 0 343.735 2.345 20 0 EEADRL CC1=C(C)C[C@H](C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])CC1 ZINC001594110285 998206926 /nfs/dbraw/zinc/20/69/26/998206926.db2.gz SYSBDXXUOLXXNN-SNVBAGLBSA-N -2 0 343.426 2.388 20 0 EEADRL CCc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])n(CC)c2)c1 ZINC000271057094 539699999 /nfs/dbraw/zinc/69/99/99/539699999.db2.gz JZHXDKGFBWQQBJ-UHFFFAOYSA-N -2 0 338.385 2.275 20 0 EEADRL Cc1cccc([C@H]([N-]S(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-])c1C ZINC000275022789 539703370 /nfs/dbraw/zinc/70/33/70/539703370.db2.gz BFHRPTGAXVKQFF-KOLCDFICSA-N -2 0 339.335 2.299 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C)c1C(=O)[O-] ZINC000343847564 161173936 /nfs/dbraw/zinc/17/39/36/161173936.db2.gz CUEPHLRMDJBGOL-UHFFFAOYSA-N -3 0 339.325 2.094 20 0 EEADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000365019497 165353809 /nfs/dbraw/zinc/35/38/09/165353809.db2.gz QARTZSFKQFPSQN-UHFFFAOYSA-N -2 0 335.385 2.027 20 0 EEADRL COC(=O)c1csc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000532364612 317859838 /nfs/dbraw/zinc/85/98/38/317859838.db2.gz JYBUVSSVOHRKDY-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000547572331 318300459 /nfs/dbraw/zinc/30/04/59/318300459.db2.gz RSDMBDOTLYJGKF-MRVPVSSYSA-N -2 0 339.335 2.416 20 0 EEADRL O=C([O-])CCCC[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000563692750 319037318 /nfs/dbraw/zinc/03/73/18/319037318.db2.gz RXHDBHQHBWLMEM-UHFFFAOYSA-N -2 0 327.736 2.151 20 0 EEADRL CC(C)c1nc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])cn1C ZINC000565877108 319222614 /nfs/dbraw/zinc/22/26/14/319222614.db2.gz QDYGQDXNYVTXAD-UHFFFAOYSA-N -2 0 341.364 2.182 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)nn1C ZINC000336868057 465061082 /nfs/dbraw/zinc/06/10/82/465061082.db2.gz VNHCPOVDVMHLPH-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)s1 ZINC000339071228 465064506 /nfs/dbraw/zinc/06/45/06/465064506.db2.gz BQDDYIYYOLRGCB-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL CCc1noc(C)c1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000339076707 465069606 /nfs/dbraw/zinc/06/96/06/465069606.db2.gz AYMGXWNUXBGXSD-UHFFFAOYSA-N -2 0 328.321 2.184 20 0 EEADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000096744468 463298447 /nfs/dbraw/zinc/29/84/47/463298447.db2.gz BMOMYIJNCRGKKD-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL CCOc1ncc(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000295848112 464983910 /nfs/dbraw/zinc/98/39/10/464983910.db2.gz BTAZFMSKYWWYEP-UHFFFAOYSA-N -2 0 340.357 2.189 20 0 EEADRL Cn1ccc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3O)c21 ZINC000349296683 466054542 /nfs/dbraw/zinc/05/45/42/466054542.db2.gz GWUHPGTURWJYLS-UHFFFAOYSA-N -2 0 346.364 2.383 20 0 EEADRL Cc1oc(CNS(=O)(=O)c2cc(F)cc(F)c2)cc1C(=O)[O-] ZINC000314526463 466550799 /nfs/dbraw/zinc/55/07/99/466550799.db2.gz ZDXUVOSDODZMPK-UHFFFAOYSA-N -2 0 331.296 2.043 20 0 EEADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000315726713 466564295 /nfs/dbraw/zinc/56/42/95/466564295.db2.gz JOWLGYWZZZLVRD-UHFFFAOYSA-N -2 0 327.308 2.393 20 0 EEADRL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000350728306 466589250 /nfs/dbraw/zinc/58/92/50/466589250.db2.gz BIXZXTJUPRDXTN-UHFFFAOYSA-N -2 0 345.327 2.463 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1 ZINC000319578536 466598001 /nfs/dbraw/zinc/59/80/01/466598001.db2.gz IGYMSHMLMMTGHG-UHFFFAOYSA-N -2 0 339.300 2.023 20 0 EEADRL Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@]2(C)C(=O)[O-])c(F)c1 ZINC000404963431 467478857 /nfs/dbraw/zinc/47/88/57/467478857.db2.gz FQCBZFGWZNRZMH-HIFRSBDPSA-N -2 0 329.393 2.446 20 0 EEADRL C[C@@H]([C@H](NS(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-])C1CC1 ZINC000548990287 468164603 /nfs/dbraw/zinc/16/46/03/468164603.db2.gz FRLLSJDWAYLHCZ-KRTXAFLBSA-N -2 0 335.784 2.257 20 0 EEADRL CC[C@H](CC[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000568000928 468253759 /nfs/dbraw/zinc/25/37/59/468253759.db2.gz FRTHGMBBVIMDHZ-SSDOTTSWSA-N -2 0 341.763 2.397 20 0 EEADRL Cc1oc(S(=O)(=O)N[C@@H]2CCc3cc(F)ccc32)cc1C(=O)[O-] ZINC000563074690 469162631 /nfs/dbraw/zinc/16/26/31/469162631.db2.gz AUEKPQWPCAMUOQ-CYBMUJFWSA-N -2 0 339.344 2.391 20 0 EEADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnn(CC3CC3)c2)c1C ZINC000608343567 469805099 /nfs/dbraw/zinc/80/50/99/469805099.db2.gz IKBBKWDGJKTSIA-UHFFFAOYSA-N -2 0 349.412 2.409 20 0 EEADRL C[C@H](NC(=O)N=c1ccc(C2CC2)n[n-]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653540428 471658131 /nfs/dbraw/zinc/65/81/31/471658131.db2.gz HREXJFMHJSPHRW-ZMLRMANQSA-N -2 0 332.404 2.033 20 0 EEADRL O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000663029028 472331423 /nfs/dbraw/zinc/33/14/23/472331423.db2.gz HLOGQEHAHFIERX-CYBMUJFWSA-N -2 0 335.356 2.010 20 0 EEADRL C[C@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])[C@@H]1C(=O)[O-] ZINC000663056915 472343037 /nfs/dbraw/zinc/34/30/37/472343037.db2.gz FAXPETWQFKNOQA-BONVTDFDSA-N -2 0 347.346 2.042 20 0 EEADRL CC(C)c1nc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c[nH]1 ZINC000677234774 486398556 /nfs/dbraw/zinc/39/85/56/486398556.db2.gz JYWXPBRFZDVPGE-UHFFFAOYSA-N -2 0 327.337 2.171 20 0 EEADRL Cc1ccc(CO)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000738604126 577008880 /nfs/dbraw/zinc/00/88/80/577008880.db2.gz XXKZVIZZVBWNTE-UHFFFAOYSA-N -2 0 339.344 2.125 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)C2CCCCCC2)c1 ZINC000740235965 578086792 /nfs/dbraw/zinc/08/67/92/578086792.db2.gz WKADXZIMKZEBSY-UHFFFAOYSA-N -2 0 325.386 2.160 20 0 EEADRL CC(C)c1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)s1 ZINC000827139262 600829195 /nfs/dbraw/zinc/82/91/95/600829195.db2.gz INBAKCAOYSVVSA-UHFFFAOYSA-N -2 0 329.403 2.104 20 0 EEADRL O=C([O-])CCSCCNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000833239717 600952397 /nfs/dbraw/zinc/95/23/97/600952397.db2.gz LHSBBTHLSJMYML-UHFFFAOYSA-N -2 0 326.399 2.054 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cnc3ccccc3n2)ccc1C(=O)[O-] ZINC000832904404 601848026 /nfs/dbraw/zinc/84/80/26/601848026.db2.gz MAGUMRNASLDFBZ-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)cc1F ZINC000832887392 601884969 /nfs/dbraw/zinc/88/49/69/601884969.db2.gz WEHGLOGQQFMWIA-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(CC(C)C)[nH]n1 ZINC000832919649 602212881 /nfs/dbraw/zinc/21/28/81/602212881.db2.gz RZMOMFTUAVLWDD-UHFFFAOYSA-N -2 0 337.401 2.416 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)cc1 ZINC000314278977 683371990 /nfs/dbraw/zinc/37/19/90/683371990.db2.gz CZFBJKOCBMIVCI-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=c1[n-]c(F)c(Cl)c([N-]S(=O)(=O)c2nccs2)c1Cl ZINC001187853646 1279676235 /nfs/dbraw/zinc/67/62/35/1279676235.db2.gz SHXIOHSDPWGOOS-UHFFFAOYSA-N -2 0 344.176 2.490 20 0 EEADRL COc1cc(Br)c(O)c([N-]S(=O)(=O)CC2CC2)c1 ZINC001188964331 1280082541 /nfs/dbraw/zinc/08/25/41/1280082541.db2.gz URTUFGQJVIJPOP-UHFFFAOYSA-N -2 0 336.207 2.315 20 0 EEADRL O=C(Nc1ccc2n[nH]cc2c1)c1ccccc1OP(=O)([O-])[O-] ZINC001189860433 1280523056 /nfs/dbraw/zinc/52/30/56/1280523056.db2.gz HETXONGVCQUAMZ-UHFFFAOYSA-N -2 0 333.240 2.287 20 0 EEADRL CCOC(=O)[C@@H]1CC[C@H](Oc2ccc(OP(=O)([O-])[O-])cc2)C1 ZINC001234337173 1304885383 /nfs/dbraw/zinc/88/53/83/1304885383.db2.gz XYMTVPHEQYJLIS-MFKMUULPSA-N -2 0 330.273 2.269 20 0 EEADRL COC(=O)C1(c2ccc(-c3ccc(P(=O)([O-])[O-])cc3)cc2)CC1 ZINC001241876463 1309570178 /nfs/dbraw/zinc/57/01/78/1309570178.db2.gz YYBOILHCKDROCD-UHFFFAOYSA-N -2 0 332.292 2.361 20 0 EEADRL O=S(=O)([O-])c1ccc([N-]S(=O)(=O)C(F)F)c2ccccc21 ZINC001259957826 1319754907 /nfs/dbraw/zinc/75/49/07/1319754907.db2.gz DCCNWOWETBRWCH-UHFFFAOYSA-N -2 0 337.325 2.051 20 0 EEADRL O=P([O-])([O-])OCCNc1ccc(-c2ccc(Cl)cc2)nn1 ZINC001157787875 1318859912 /nfs/dbraw/zinc/85/99/12/1318859912.db2.gz UHNDIQBCJKROKT-UHFFFAOYSA-N -2 0 329.680 2.318 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)nn1C ZINC001259212183 1319487969 /nfs/dbraw/zinc/48/79/69/1319487969.db2.gz IJNXVCJNAKFWKH-UHFFFAOYSA-N -2 0 347.755 2.020 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cc(Cl)ncc2O)c1 ZINC001260209737 1319833017 /nfs/dbraw/zinc/83/30/17/1319833017.db2.gz FRESGXGMCKDSQU-UHFFFAOYSA-N -2 0 346.723 2.079 20 0 EEADRL Cc1c(=O)[n-]n(-c2ccccc2)c1Nc1nccnc1CC(=O)[O-] ZINC001163117020 1321040007 /nfs/dbraw/zinc/04/00/07/1321040007.db2.gz ZUEWJOKBNINYJK-UHFFFAOYSA-N -2 0 325.328 2.047 20 0 EEADRL O=C([O-])[C@H](NS(=O)(=O)c1cccc(Cl)c1[O-])c1cccs1 ZINC001608554598 1351714926 /nfs/dbraw/zinc/71/49/26/1351714926.db2.gz RHVCFTJTEUZFME-SNVBAGLBSA-N -2 0 347.801 2.211 20 0 EEADRL O=C([O-])CCc1cccc([N-]S(=O)(=O)c2cnc3n2CCCC3)c1 ZINC001608740340 1351753434 /nfs/dbraw/zinc/75/34/34/1351753434.db2.gz SIXHBICBOHHREI-UHFFFAOYSA-N -2 0 349.412 2.037 20 0 EEADRL O=C([O-])Cc1ccccc1-c1cccc(N2CC[C@@H](C(=O)[O-])C2=O)c1 ZINC001608788491 1351763846 /nfs/dbraw/zinc/76/38/46/1351763846.db2.gz REQYILGNCIAUCL-MRXNPFEDSA-N -2 0 339.347 2.418 20 0 EEADRL O=C([O-])Cn1cnc(-c2nc3ccc(-c4ccccc4)cc3c(=O)[n-]2)n1 ZINC001608799307 1351766477 /nfs/dbraw/zinc/76/64/77/1351766477.db2.gz GXLKTKAGLGSVSB-UHFFFAOYSA-N -2 0 347.334 2.346 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nnc(C(F)F)s2)s1 ZINC001608913879 1351792628 /nfs/dbraw/zinc/79/26/28/1351792628.db2.gz KLJAJKPRSLAZME-UHFFFAOYSA-N -2 0 341.342 2.036 20 0 EEADRL O=C([O-])c1cccc(CC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1 ZINC001608929668 1351796696 /nfs/dbraw/zinc/79/66/96/1351796696.db2.gz GRDFRRNYXSRXDI-CFVMTHIKSA-N -2 0 331.368 2.172 20 0 EEADRL O=C([O-])c1cccc(Cc2cnc(NC(=O)C3(C(=O)[O-])CC3)s2)c1 ZINC001608932887 1351797722 /nfs/dbraw/zinc/79/77/22/1351797722.db2.gz JLCSSYFYIFVHQR-UHFFFAOYSA-N -2 0 346.364 2.235 20 0 EEADRL CC(C)[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC001609684598 1352058950 /nfs/dbraw/zinc/05/89/50/1352058950.db2.gz RVVPHMXMCSHCKN-WCQYABFASA-N -2 0 333.450 2.148 20 0 EEADRL CCC/C(C)=C\C(=O)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001609954862 1352129349 /nfs/dbraw/zinc/12/93/49/1352129349.db2.gz UWVGMMJMRLFWOB-YFHOEESVSA-N -2 0 343.376 2.004 20 0 EEADRL CCC[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001609955397 1352129416 /nfs/dbraw/zinc/12/94/16/1352129416.db2.gz RBNRLPWYKRVGIQ-NSHDSACASA-N -2 0 327.402 2.157 20 0 EEADRL CCc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)nn1C ZINC001610059744 1352151959 /nfs/dbraw/zinc/15/19/59/1352151959.db2.gz CIRLMSSEMKCGDL-UHFFFAOYSA-N -2 0 343.792 2.135 20 0 EEADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cnoc1C1CC1 ZINC001610289024 1352200363 /nfs/dbraw/zinc/20/03/63/1352200363.db2.gz HKCKJIQMGUKZSJ-UHFFFAOYSA-N -2 0 338.341 2.060 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c(N(C)C)n1 ZINC001610510173 1352235956 /nfs/dbraw/zinc/23/59/56/1352235956.db2.gz YEVKRHNOVMOYGE-UHFFFAOYSA-N -2 0 349.412 2.263 20 0 EEADRL Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cn3)cc2o1 ZINC001610560064 1352245028 /nfs/dbraw/zinc/24/50/28/1352245028.db2.gz FVFYWWRNPUYEDQ-UHFFFAOYSA-N -2 0 333.325 2.030 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)n[nH]c1C(C)C ZINC001610563471 1352245757 /nfs/dbraw/zinc/24/57/57/1352245757.db2.gz LEHMPZLGZCANTE-UHFFFAOYSA-N -2 0 338.389 2.044 20 0 EEADRL Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)c1Cl ZINC001592235197 1349613245 /nfs/dbraw/zinc/61/32/45/1349613245.db2.gz HEKKVQNEUWVYQQ-UHFFFAOYSA-N -2 0 339.764 2.222 20 0 EEADRL Cc1c(NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)cccc1C(=O)[O-] ZINC001600045644 1349961345 /nfs/dbraw/zinc/96/13/45/1349961345.db2.gz QMNUJDHOHIWMSQ-NSHDSACASA-N -2 0 346.305 2.335 20 0 EEADRL Cc1cc(C([O-])=C[S@@](=O)Cc2ccccc2C(=O)[O-])c(C)n1C ZINC001600076907 1349966676 /nfs/dbraw/zinc/96/66/76/1349966676.db2.gz HDXYVFSMWRUFBN-QHCPKHFHSA-N -2 0 333.409 2.472 20 0 EEADRL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])sc1C ZINC001600096569 1349970154 /nfs/dbraw/zinc/97/01/54/1349970154.db2.gz SPNZKEAUBXSBAK-UHFFFAOYSA-N -2 0 345.423 2.243 20 0 EEADRL Cc1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])c2ccccc12 ZINC001600342366 1350024556 /nfs/dbraw/zinc/02/45/56/1350024556.db2.gz RTPCXJAYWJAMOR-NWDGAFQWSA-N -2 0 349.408 2.317 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC001600360056 1350029483 /nfs/dbraw/zinc/02/94/83/1350029483.db2.gz HZKSSCQVIQTWNA-NSHDSACASA-N -2 0 346.305 2.335 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])cc2)cc1C ZINC001600477896 1350061434 /nfs/dbraw/zinc/06/14/34/1350061434.db2.gz DSPZWUZXGFCUAG-UHFFFAOYSA-N -2 0 333.365 2.120 20 0 EEADRL Cc1[nH]nc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1-c1ccccc1 ZINC001600672022 1350114193 /nfs/dbraw/zinc/11/41/93/1350114193.db2.gz NHNRECFXPVUGQQ-UHFFFAOYSA-N -2 0 346.368 2.212 20 0 EEADRL Cc1noc(C)c1[N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001600810369 1350142047 /nfs/dbraw/zinc/14/20/47/1350142047.db2.gz MLPBQVUSYVFSDD-UHFFFAOYSA-N -2 0 336.369 2.208 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccnn1CCC(C)C ZINC001600837232 1350148034 /nfs/dbraw/zinc/14/80/34/1350148034.db2.gz KJTDLNNWHIEEFG-UHFFFAOYSA-N -2 0 341.389 2.330 20 0 EEADRL Nc1c([N-]S(=O)(=O)c2c(F)cccc2F)cccc1C(=O)[O-] ZINC001601208970 1350231521 /nfs/dbraw/zinc/23/15/21/1350231521.db2.gz KGCLLELZWCLRBW-UHFFFAOYSA-N -2 0 328.296 2.046 20 0 EEADRL O=C([O-])[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccc(O)cc1 ZINC001601396415 1350273816 /nfs/dbraw/zinc/27/38/16/1350273816.db2.gz UUAPWGBCLIALEV-GFCCVEGCSA-N -2 0 341.241 2.071 20 0 EEADRL O=C([O-])C1(CS(=O)(=O)[N-][C@@H](C2CCCCC2)C(F)(F)F)CC1 ZINC001601713259 1350345773 /nfs/dbraw/zinc/34/57/73/1350345773.db2.gz RDVICAHPZUWHPZ-JTQLQIEISA-N -2 0 343.367 2.282 20 0 EEADRL O=C([O-])C1CC2(C1)CN(C(=O)c1coc3ccccc13)C[C@@H]2C(=O)[O-] ZINC001601779204 1350362665 /nfs/dbraw/zinc/36/26/65/1350362665.db2.gz FUFDZNVSKDHBAM-RMHQAKAESA-N -2 0 343.335 2.070 20 0 EEADRL O=C([O-])C1CC2(C1)CN(C(=O)[C@H]1CCC=CCCC1)C[C@@H]2C(=O)[O-] ZINC001601777820 1350362843 /nfs/dbraw/zinc/36/28/43/1350362843.db2.gz AOINQXQNEWJERZ-DWBBHFSCSA-N -2 0 335.400 2.147 20 0 EEADRL O=C([O-])CC[C@@H]1CCCN(C(=O)CCc2ccc(C(=O)[O-])cc2)C1 ZINC001601975665 1350408486 /nfs/dbraw/zinc/40/84/86/1350408486.db2.gz PKRNKRWNTKQKTA-AWEZNQCLSA-N -2 0 333.384 2.421 20 0 EEADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cnc3c(c2)CCCC3)cc1 ZINC001602132327 1350446540 /nfs/dbraw/zinc/44/65/40/1350446540.db2.gz WACYWZGEEAAKDJ-UHFFFAOYSA-N -2 0 346.408 2.388 20 0 EEADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2F)n1 ZINC001602140466 1350449191 /nfs/dbraw/zinc/44/91/91/1350449191.db2.gz AMSXDFCGYGXDKJ-UHFFFAOYSA-N -2 0 344.751 2.302 20 0 EEADRL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ncsc2C2CC2)c1 ZINC001602142482 1350449719 /nfs/dbraw/zinc/44/97/19/1350449719.db2.gz DZTIGHAHSIAMCG-UHFFFAOYSA-N -2 0 338.410 2.448 20 0 EEADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]c2noc3c2CCCC3)c1 ZINC001602441631 1350520561 /nfs/dbraw/zinc/52/05/61/1350520561.db2.gz SIIODBRUYGDXEO-UHFFFAOYSA-N -2 0 336.369 2.194 20 0 EEADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001602599170 1350554522 /nfs/dbraw/zinc/55/45/22/1350554522.db2.gz PMIRNQDBSRJZME-SECBINFHSA-N -2 0 343.426 2.222 20 0 EEADRL CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC001603305429 1350683423 /nfs/dbraw/zinc/68/34/23/1350683423.db2.gz BPQZDARLENFFIY-ZDUSSCGKSA-N -2 0 349.362 2.336 20 0 EEADRL CC(C)c1csc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)n1 ZINC001604012471 1350829002 /nfs/dbraw/zinc/82/90/02/1350829002.db2.gz QMXYRCITTCNNJV-UHFFFAOYSA-N -2 0 327.387 2.161 20 0 EEADRL C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cc(Br)cc(F)c1[O-] ZINC001604633607 1350973849 /nfs/dbraw/zinc/97/38/49/1350973849.db2.gz BNRQYSPRHZLWHS-XPUUQOCRSA-N -2 0 346.152 2.229 20 0 EEADRL CC[C@H](CNC(=O)c1cc(Br)cc(F)c1[O-])C(=O)[O-] ZINC001605035833 1351064255 /nfs/dbraw/zinc/06/42/55/1351064255.db2.gz UAYMOHUEJRUJAN-ZCFIWIBFSA-N -2 0 334.141 2.134 20 0 EEADRL COc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1C ZINC001607148759 1351438293 /nfs/dbraw/zinc/43/82/93/1351438293.db2.gz BWZRKKFPIUJYSG-UHFFFAOYSA-N -2 0 325.342 2.404 20 0 EEADRL Cc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1C ZINC001607732119 1351548390 /nfs/dbraw/zinc/54/83/90/1351548390.db2.gz PPDWWFGBZQQZNE-UHFFFAOYSA-N -2 0 333.365 2.120 20 0 EEADRL Cc1cccc(C[C@@H](CNC(=O)[C@]2(C(=O)[O-])CC=CCC2)C(=O)[O-])c1 ZINC001607848461 1351570978 /nfs/dbraw/zinc/57/09/78/1351570978.db2.gz CEDVQGZYCCSDQR-KXBFYZLASA-N -2 0 345.395 2.166 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3[nH]2)c1C(=O)[O-] ZINC001607863219 1351574022 /nfs/dbraw/zinc/57/40/22/1351574022.db2.gz QACHUGLOLRGQTI-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)C[C@@H]2C=CCCC2)cc1 ZINC001608292095 1351664542 /nfs/dbraw/zinc/66/45/42/1351664542.db2.gz MVUZTVCQZKBACK-GFCCVEGCSA-N -2 0 337.397 2.077 20 0 EEADRL O=P([O-])([O-])OCCNc1nc(Cl)cc(-c2ccccc2)n1 ZINC001168586334 790521502 /nfs/dbraw/zinc/52/15/02/790521502.db2.gz JBARKMXISKGEIC-UHFFFAOYSA-N -2 0 329.680 2.318 20 0 EEADRL COC(=O)c1cc(NCCOP(=O)([O-])[O-])cc(C(C)(C)C)c1 ZINC001168592297 790821152 /nfs/dbraw/zinc/82/11/52/790821152.db2.gz PVSWRFBQZGMSLU-UHFFFAOYSA-N -2 0 331.305 2.292 20 0 EEADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2C3CCCC2CCC3)c1 ZINC000906876537 784203962 /nfs/dbraw/zinc/20/39/62/784203962.db2.gz FKPOONUGVAXYLN-UHFFFAOYSA-N -2 0 325.386 2.186 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)[C@H]2CC[C@H](C3CCC3)CC2)C1 ZINC000910184470 786516391 /nfs/dbraw/zinc/51/63/91/786516391.db2.gz RJHFWVQZPUSFIX-TUVASFSCSA-N -2 0 337.416 2.369 20 0 EEADRL CSc1ccc(C)c(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1 ZINC000910187181 786519279 /nfs/dbraw/zinc/51/92/79/786519279.db2.gz BLACMGYNRFYAOF-GXFFZTMASA-N -2 0 337.397 2.107 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)cc(C(=O)[O-])c1 ZINC000350473270 792509813 /nfs/dbraw/zinc/50/98/13/792509813.db2.gz FHKIZBLPBREKEU-UHFFFAOYSA-N -2 0 335.385 2.027 20 0 EEADRL COC(=O)c1cccc(N)c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176242105 798392326 /nfs/dbraw/zinc/39/23/26/798392326.db2.gz ODEHYVOHQIZNDD-UHFFFAOYSA-N -2 0 330.296 2.195 20 0 EEADRL CC(=O)Nc1ccc(O)c(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176243049 798392575 /nfs/dbraw/zinc/39/25/75/798392575.db2.gz AXGMFUTYLKOLQT-UHFFFAOYSA-N -2 0 330.296 2.491 20 0 EEADRL CC(=O)c1ccncc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184663462 802123653 /nfs/dbraw/zinc/12/36/53/802123653.db2.gz IMBCIIQTPZLMQA-UHFFFAOYSA-N -2 0 334.353 2.092 20 0 EEADRL COc1cc(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000323652205 971026205 /nfs/dbraw/zinc/02/62/05/971026205.db2.gz JTGODNVJOYUNBQ-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL O=C([O-])c1ccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])nc1 ZINC001595236013 949403104 /nfs/dbraw/zinc/40/31/04/949403104.db2.gz MMXAOYHYDZYTAH-UHFFFAOYSA-N -2 0 342.286 2.063 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)cc1C(=O)[O-] ZINC000386077298 972029252 /nfs/dbraw/zinc/02/92/52/972029252.db2.gz ZYXUVMIZCZSMLB-UHFFFAOYSA-N -2 0 339.760 2.049 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cc(C(C)C)[nH]n2)c1C(=O)[O-] ZINC000388416496 972169454 /nfs/dbraw/zinc/16/94/54/972169454.db2.gz PMEJNIQCLHMSDW-UHFFFAOYSA-N -2 0 327.362 2.242 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nnc(CC(C)C)s1 ZINC000389056447 972204901 /nfs/dbraw/zinc/20/49/01/972204901.db2.gz SXLMJAZHXQBNGC-UHFFFAOYSA-N -2 0 345.402 2.137 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2cccc(CCC(=O)[O-])c2)nc1C ZINC000391369600 972331714 /nfs/dbraw/zinc/33/17/14/972331714.db2.gz TZQQGOVTBNPWIJ-UHFFFAOYSA-N -2 0 337.401 2.029 20 0 EEADRL O=C([O-])[C@@]1(C(=O)Nc2nccc(Br)c2[O-])CC=CCC1 ZINC001574641234 962354565 /nfs/dbraw/zinc/35/45/65/962354565.db2.gz PLQWLRMRMASKPA-ZDUSSCGKSA-N -2 0 341.161 2.299 20 0 EEADRL O=C([O-])C1([N-]S(=O)(=O)c2c(F)cc(F)cc2F)CCCCC1 ZINC000315114128 963857333 /nfs/dbraw/zinc/85/73/33/963857333.db2.gz QSKHQUGAKWYIQN-UHFFFAOYSA-N -2 0 337.319 2.170 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cn(C)nc1C(C)C ZINC000319338669 970526549 /nfs/dbraw/zinc/52/65/49/970526549.db2.gz QLDRJTNBXWRZIE-UHFFFAOYSA-N -2 0 343.430 2.412 20 0 EEADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)OCc1cccc(C(=O)[O-])c1 ZINC001591861936 976158557 /nfs/dbraw/zinc/15/85/57/976158557.db2.gz LVKFLKBKONRSPG-NSHDSACASA-N -2 0 347.289 2.131 20 0 EEADRL CCC(CC)(C(=O)[O-])C(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC001595047754 979260268 /nfs/dbraw/zinc/26/02/68/979260268.db2.gz HQRXEULDOJCYJP-UHFFFAOYSA-N -2 0 334.372 2.164 20 0 EEADRL C[C@@H](Cc1ccc(NC(=O)C(C)(C)SCC(=O)[O-])cc1)C(=O)[O-] ZINC001592858685 979674722 /nfs/dbraw/zinc/67/47/22/979674722.db2.gz UDUWMUVEXPVUHR-JTQLQIEISA-N -2 0 339.413 2.485 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2c(C)csc2C(=O)[O-])cn1 ZINC001597138043 986880243 /nfs/dbraw/zinc/88/02/43/986880243.db2.gz ZBTLBWHNLNNFOR-UHFFFAOYSA-N -2 0 342.398 2.349 20 0 EEADRL CCc1ncsc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001597712041 988974825 /nfs/dbraw/zinc/97/48/25/988974825.db2.gz KTKRHFRVCFDJPU-UHFFFAOYSA-N -2 0 344.389 2.273 20 0 EEADRL CC(C)(C)OC(=O)c1cc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)n[n-]1 ZINC001590362709 989815972 /nfs/dbraw/zinc/81/59/72/989815972.db2.gz FQXUMPZVQGWEEP-UHFFFAOYSA-N -2 0 349.318 2.455 20 0 EEADRL CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)C(=O)[N-]OCC2CC2)s1 ZINC001590461205 990027742 /nfs/dbraw/zinc/02/77/42/990027742.db2.gz VGLGRUHNWUEVKW-UHFFFAOYSA-N -2 0 340.401 2.140 20 0 EEADRL CC(C)[C@@H](CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)C(=O)[O-] ZINC001590989643 991202117 /nfs/dbraw/zinc/20/21/17/991202117.db2.gz ZIWOWDONNSPJNF-SSDOTTSWSA-N -2 0 330.287 2.141 20 0 EEADRL CN(C)c1cccc(S(=O)(=O)[N-]c2sccc2C(=O)[O-])c1 ZINC001598342610 991415692 /nfs/dbraw/zinc/41/56/92/991415692.db2.gz UOBXZIZGFVRCMX-UHFFFAOYSA-N -2 0 326.399 2.313 20 0 EEADRL CN(Cc1n[n-]c(=O)o1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598536233 992841467 /nfs/dbraw/zinc/84/14/67/992841467.db2.gz ANNVNEJEYUMMRW-JTQLQIEISA-N -2 0 332.143 2.340 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cc(C)c(C(=O)[O-])cn2)cc1C ZINC001599616715 994024753 /nfs/dbraw/zinc/02/47/53/994024753.db2.gz LXMDOSHDFSNRPJ-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001599427011 997694544 /nfs/dbraw/zinc/69/45/44/997694544.db2.gz VQRLDDQURKEMHM-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)cc1C(=O)[O-] ZINC000130530938 539412070 /nfs/dbraw/zinc/41/20/70/539412070.db2.gz JFQYIMNZGPQWHA-UHFFFAOYSA-N -2 0 333.369 2.488 20 0 EEADRL Cc1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000438714942 242045754 /nfs/dbraw/zinc/04/57/54/242045754.db2.gz FUIVYWBDBTVXPN-UHFFFAOYSA-N -2 0 335.337 2.192 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)c(O)c1 ZINC000343866804 161175866 /nfs/dbraw/zinc/17/58/66/161175866.db2.gz RIJCNBNRPOKQRP-UHFFFAOYSA-N -2 0 344.348 2.439 20 0 EEADRL COCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000360500750 164324681 /nfs/dbraw/zinc/32/46/81/164324681.db2.gz OJQCMDMIZPJUKN-UHFFFAOYSA-N -2 0 337.353 2.038 20 0 EEADRL CCc1ccc(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)cc1C(=O)[O-] ZINC000285091843 274677000 /nfs/dbraw/zinc/67/70/00/274677000.db2.gz NFLFPQQKDOXIMO-UHFFFAOYSA-N -2 0 349.412 2.281 20 0 EEADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cnoc2C2CC2)c1 ZINC000414382057 313007302 /nfs/dbraw/zinc/00/73/02/313007302.db2.gz KCLGOUBNDRFCPN-UHFFFAOYSA-N -2 0 338.341 2.065 20 0 EEADRL O=C([O-])[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000566311254 319273308 /nfs/dbraw/zinc/27/33/08/319273308.db2.gz BWIBSNVNFAHHGO-SSDOTTSWSA-N -2 0 349.689 2.163 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)cc1C(=O)[O-] ZINC000182483701 323376072 /nfs/dbraw/zinc/37/60/72/323376072.db2.gz HOKHJJBYJBWYLC-UHFFFAOYSA-N -2 0 347.352 2.179 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OCCF)c1 ZINC000347629027 465133919 /nfs/dbraw/zinc/13/39/19/465133919.db2.gz KHFYIYLSCHQTEV-UHFFFAOYSA-N -2 0 343.332 2.435 20 0 EEADRL CCOc1ncccc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000042793793 463597768 /nfs/dbraw/zinc/59/77/68/463597768.db2.gz FTGNENMVGSFRHQ-UHFFFAOYSA-N -2 0 342.398 2.349 20 0 EEADRL CO[C@@H](C)CS(=O)(=O)Nc1ccc(S[C@@H](C)C(=O)[O-])cc1 ZINC000285130575 464461503 /nfs/dbraw/zinc/46/15/03/464461503.db2.gz QCMUUPRCDWNLAR-UWVGGRQHSA-N -2 0 333.431 2.028 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c(F)c1 ZINC000358849363 465356372 /nfs/dbraw/zinc/35/63/72/465356372.db2.gz CEXPRZBGUIYNCO-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000338220716 465914238 /nfs/dbraw/zinc/91/42/38/465914238.db2.gz DGYIWCREPWXMLF-UHFFFAOYSA-N -2 0 349.364 2.281 20 0 EEADRL CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000346983521 466296953 /nfs/dbraw/zinc/29/69/53/466296953.db2.gz ODRWIXHNABUZFX-UHFFFAOYSA-N -2 0 334.353 2.009 20 0 EEADRL COC(=O)c1ccccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000315632220 466562799 /nfs/dbraw/zinc/56/27/99/466562799.db2.gz YFPLNUKYKVQLOH-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL CC(C)C[C@@H](CNC(=O)N=c1nc(-c2ccccc2)[n-]s1)C(=O)[O-] ZINC000424472756 467058318 /nfs/dbraw/zinc/05/83/18/467058318.db2.gz PNWHIAZFFOSNNJ-LBPRGKRZSA-N -2 0 348.428 2.495 20 0 EEADRL CC1(C)COc2cc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)ccc21 ZINC000530141860 467953728 /nfs/dbraw/zinc/95/37/28/467953728.db2.gz ODBSIRRXLHIBOS-UHFFFAOYSA-N -2 0 336.369 2.184 20 0 EEADRL COc1cc(C(=O)[O-])ccc1CCN=c1nc(C(F)(F)F)[n-]s1 ZINC000572043685 468877364 /nfs/dbraw/zinc/87/73/64/468877364.db2.gz ONCVTAWOQFVEJF-UHFFFAOYSA-N -2 0 347.318 2.340 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N([C@H](C)C(=O)[O-])C2CC2)n1 ZINC000573489217 469144273 /nfs/dbraw/zinc/14/42/73/469144273.db2.gz QHYGUAZKUUKMIW-LLVKDONJSA-N -2 0 343.383 2.218 20 0 EEADRL O=C([O-])C1([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)CCCC1 ZINC000669443918 471499821 /nfs/dbraw/zinc/49/98/21/471499821.db2.gz IRCAGWSJLAXWTF-UHFFFAOYSA-N -2 0 339.747 2.294 20 0 EEADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC000653284531 471566869 /nfs/dbraw/zinc/56/68/69/471566869.db2.gz KRDRRDFPHHFVFJ-INIZCTEOSA-N -2 0 347.396 2.166 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)sc1C(=O)[O-] ZINC000738241655 578005705 /nfs/dbraw/zinc/00/57/05/578005705.db2.gz YDYGJLSOCYECHZ-UHFFFAOYSA-N -2 0 349.821 2.251 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000777595314 577482705 /nfs/dbraw/zinc/48/27/05/577482705.db2.gz FVCRKJMVJRINAY-UHFFFAOYSA-N -2 0 335.385 2.101 20 0 EEADRL CCc1onc(C)c1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000759103655 577637125 /nfs/dbraw/zinc/63/71/25/577637125.db2.gz BFRXDCBSUXWDBH-UHFFFAOYSA-N -2 0 346.311 2.323 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)nn1C ZINC000759114560 577637336 /nfs/dbraw/zinc/63/73/36/577637336.db2.gz SQBUOOFBYYPKLE-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCCCCCC(=O)[O-] ZINC000748667201 577965540 /nfs/dbraw/zinc/96/55/40/577965540.db2.gz JSYKVACZDVOKAM-UHFFFAOYSA-N -2 0 343.401 2.007 20 0 EEADRL Cn1cnc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)c1Cl ZINC000739048962 578036403 /nfs/dbraw/zinc/03/64/03/578036403.db2.gz SCTYGUYOTROSLC-UHFFFAOYSA-N -2 0 348.743 2.103 20 0 EEADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccnn2C2CCCC2)cc1 ZINC000739886411 578071668 /nfs/dbraw/zinc/07/16/68/578071668.db2.gz LQSAIBVHEDKJER-UHFFFAOYSA-N -2 0 349.412 2.426 20 0 EEADRL CC(C)C[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c1ccccc1 ZINC000736401322 578201640 /nfs/dbraw/zinc/20/16/40/578201640.db2.gz GSJBCSHGWZVRDO-AWEZNQCLSA-N -2 0 341.429 2.127 20 0 EEADRL C[C@@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000736540536 578210237 /nfs/dbraw/zinc/21/02/37/578210237.db2.gz IZYLDUDQBGVLNQ-QMMMGPOBSA-N -2 0 341.414 2.415 20 0 EEADRL CC1=C(C(=O)[O-])[C@H](c2cccs2)NC(=O)N1CCCCC(=O)[O-] ZINC000736749482 578221783 /nfs/dbraw/zinc/22/17/83/578221783.db2.gz CCLNOPIPLHGHTJ-ZDUSSCGKSA-N -2 0 338.385 2.428 20 0 EEADRL Cc1nc(C(C)C)[nH]c(=O)c1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000323998661 597442772 /nfs/dbraw/zinc/44/27/72/597442772.db2.gz FAMDDTWXEJRYHH-UHFFFAOYSA-N -2 0 329.356 2.242 20 0 EEADRL CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000319936262 599737170 /nfs/dbraw/zinc/73/71/70/599737170.db2.gz BAFOHHVWJDXQAF-UHFFFAOYSA-N -2 0 338.341 2.127 20 0 EEADRL Cc1ccc(F)cc1S(=O)(=O)[N-]c1nc(CC(=O)[O-])cs1 ZINC000036961702 600053059 /nfs/dbraw/zinc/05/30/59/600053059.db2.gz SBQCVJMCSXAENB-UHFFFAOYSA-N -2 0 330.362 2.019 20 0 EEADRL Cc1ccc(NS(=O)(=O)c2ccccc2C(=O)[O-])cc1C(=O)[O-] ZINC000832950721 600691366 /nfs/dbraw/zinc/69/13/66/600691366.db2.gz XEMQCILRZVKCKK-UHFFFAOYSA-N -2 0 335.337 2.192 20 0 EEADRL O=C([O-])c1cccc(-c2nc(CS(=O)(=O)c3ncc[n-]3)cs2)c1 ZINC000833326047 600831736 /nfs/dbraw/zinc/83/17/36/600831736.db2.gz DZDWKBWWHCIUNH-UHFFFAOYSA-N -2 0 349.393 2.205 20 0 EEADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(C)c(O)c1 ZINC000831946659 601204959 /nfs/dbraw/zinc/20/49/59/601204959.db2.gz WKBAUVQKGLLVLS-UHFFFAOYSA-N -2 0 343.382 2.270 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2cc(C(C)(C)C)[nH]n2)cc1C(=O)[O-] ZINC000833026422 601230389 /nfs/dbraw/zinc/23/03/89/601230389.db2.gz AXIUTNZAPARMAA-UHFFFAOYSA-N -2 0 327.362 2.108 20 0 EEADRL O=C([O-])C1(CNC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])CCCC1 ZINC000833137130 601758629 /nfs/dbraw/zinc/75/86/29/601758629.db2.gz PLQNRWDFYNJVJF-UHFFFAOYSA-N -2 0 347.346 2.092 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cn2)ccc1Cl ZINC000088248264 601843423 /nfs/dbraw/zinc/84/34/23/601843423.db2.gz GFUPLNXPEBXNDW-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL CC(C)Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n[nH]1 ZINC000826909723 602306109 /nfs/dbraw/zinc/30/61/09/602306109.db2.gz HHDVMSBSGIQJOO-UHFFFAOYSA-N -2 0 341.364 2.246 20 0 EEADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1F ZINC000833663581 605185598 /nfs/dbraw/zinc/18/55/98/605185598.db2.gz XTYQHIMHTPWBDW-UHFFFAOYSA-N -2 0 329.305 2.316 20 0 EEADRL COCc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000314350513 683447882 /nfs/dbraw/zinc/44/78/82/683447882.db2.gz IRVGQHIPASPVDT-UHFFFAOYSA-N -2 0 327.383 2.394 20 0 EEADRL CC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(Cl)cc(Cl)c2[O-])C1=O ZINC000935749770 1208213134 /nfs/dbraw/zinc/21/31/34/1208213134.db2.gz IDNRJMAEMGWCCG-ZDUSSCGKSA-N -2 0 346.170 2.064 20 0 EEADRL CC(C)n1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 ZINC000389198879 1253362112 /nfs/dbraw/zinc/36/21/12/1253362112.db2.gz PKOOBQUUASGHMW-UHFFFAOYSA-N -2 0 327.337 2.102 20 0 EEADRL Cc1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)s1 ZINC001195195297 1283486449 /nfs/dbraw/zinc/48/64/49/1283486449.db2.gz VTFLIALLQIDGEJ-UHFFFAOYSA-N -2 0 334.325 2.229 20 0 EEADRL O=C(NCCOP(=O)([O-])[O-])c1sccc1-c1ccccc1 ZINC001195720945 1283697802 /nfs/dbraw/zinc/69/78/02/1283697802.db2.gz SWBCRQGSKLNRRD-UHFFFAOYSA-N -2 0 327.298 2.254 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1nsc2ncccc12 ZINC001198740554 1285314333 /nfs/dbraw/zinc/31/43/33/1285314333.db2.gz JMDBNORNXICVTP-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL CNC(=O)c1ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c(OC)c1 ZINC001222498114 1299635732 /nfs/dbraw/zinc/63/57/32/1299635732.db2.gz HBFXIXYRZKJDIS-UHFFFAOYSA-N -2 0 329.308 2.118 20 0 EEADRL O=c1cc(Cc2ccccc2)[n-]n1-c1cccc(S(=O)(=O)[O-])c1 ZINC001245925253 1310189617 /nfs/dbraw/zinc/18/96/17/1310189617.db2.gz KOYIWHODLHUHQT-UHFFFAOYSA-N -2 0 330.365 2.415 20 0 EEADRL O=C([O-])c1ccc(-n2[n-]c(COCc3ccccc3)cc2=O)nc1 ZINC001245924530 1310189892 /nfs/dbraw/zinc/18/98/92/1310189892.db2.gz VMLZKDUTAVEDRQ-UHFFFAOYSA-N -2 0 325.324 2.388 20 0 EEADRL Cc1nc2sc3c(c2c(NCCOP(=O)([O-])[O-])n1)CCCC3 ZINC001157796142 1318867524 /nfs/dbraw/zinc/86/75/24/1318867524.db2.gz XWYYBFRFQIQWCX-UHFFFAOYSA-N -2 0 343.345 2.400 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncccc2C2CC2)ccc1O ZINC001260394314 1319883144 /nfs/dbraw/zinc/88/31/44/1319883144.db2.gz ZXVQMGXMQGWRTE-UHFFFAOYSA-N -2 0 334.353 2.164 20 0 EEADRL O=C([O-])c1cnc(CNC(=O)c2ccc3[n-]c(=S)oc3c2)s1 ZINC001608475074 1351702142 /nfs/dbraw/zinc/70/21/42/1351702142.db2.gz BNAFNTJBEVLCSX-UHFFFAOYSA-N -2 0 335.366 2.201 20 0 EEADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccc3ncsc3c2)n1 ZINC001608787045 1351763379 /nfs/dbraw/zinc/76/33/79/1351763379.db2.gz LIXVBOKYAUZKRM-UHFFFAOYSA-N -2 0 349.393 2.119 20 0 EEADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]c1nccc2sccc21 ZINC001609003817 1351812512 /nfs/dbraw/zinc/81/25/12/1351812512.db2.gz DFFBHWXFKVPLBB-UHFFFAOYSA-N -2 0 341.395 2.252 20 0 EEADRL O=C([O-])[C@H](OC(=O)c1nn(-c2ccc(Cl)cc2)cc1O)C1CC1 ZINC001609010906 1351813846 /nfs/dbraw/zinc/81/38/46/1351813846.db2.gz GNARNSDTSIXEQW-CYBMUJFWSA-N -2 0 336.731 2.251 20 0 EEADRL O=C([O-])/C(=C/c1cccc(C(=O)[O-])c1Cl)CN1CCC(=O)CC1 ZINC001609039333 1351821516 /nfs/dbraw/zinc/82/15/16/1351821516.db2.gz WBQSJFCLSKBPGQ-DHZHZOJOSA-N -2 0 337.759 2.171 20 0 EEADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc2sccc2c1 ZINC001609638683 1352047751 /nfs/dbraw/zinc/04/77/51/1352047751.db2.gz JOISHVSGRJMGQM-DTWKUNHWSA-N -2 0 341.410 2.070 20 0 EEADRL CC(C)(CS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12)C(=O)[O-] ZINC001609677149 1352056638 /nfs/dbraw/zinc/05/66/38/1352056638.db2.gz OMPGJHLLXBOTKZ-YNEHKIRRSA-N -2 0 345.461 2.150 20 0 EEADRL CCC(C)(C)c1ccc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1 ZINC001609892174 1352112846 /nfs/dbraw/zinc/11/28/46/1352112846.db2.gz CPZMEDYWKXNWGY-UHFFFAOYSA-N -2 0 341.429 2.299 20 0 EEADRL CCc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cncc(OC)c2)s1 ZINC001610058794 1352152153 /nfs/dbraw/zinc/15/21/53/1352152153.db2.gz MDMBHKFRHVHILJ-UHFFFAOYSA-N -2 0 342.398 2.213 20 0 EEADRL COc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC001610288639 1352200350 /nfs/dbraw/zinc/20/03/50/1352200350.db2.gz VASYSNCEOXHTJL-UHFFFAOYSA-N -2 0 349.364 2.397 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c(C)cc1C ZINC001610304018 1352202496 /nfs/dbraw/zinc/20/24/96/1352202496.db2.gz HFKSAOZFSIJNQQ-UHFFFAOYSA-N -2 0 325.342 2.404 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])ccc1Cl ZINC001610304079 1352202694 /nfs/dbraw/zinc/20/26/94/1352202694.db2.gz OCZLPSPNRFAZNT-UHFFFAOYSA-N -2 0 348.789 2.304 20 0 EEADRL CSc1ccncc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001610388203 1352214790 /nfs/dbraw/zinc/21/47/90/1352214790.db2.gz DIMDNTUJHPSUFC-UHFFFAOYSA-N -2 0 342.373 2.442 20 0 EEADRL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001610405021 1352217771 /nfs/dbraw/zinc/21/77/71/1352217771.db2.gz RORBJBHIXLSYPD-UHFFFAOYSA-N -2 0 331.300 2.155 20 0 EEADRL O=C([O-])CC1(CS(=O)(=O)Nc2c(Cl)cccc2C(=O)[O-])CC1 ZINC001610756264 1352269318 /nfs/dbraw/zinc/26/93/18/1352269318.db2.gz VFIVZEYWSAYQIV-UHFFFAOYSA-N -2 0 347.776 2.035 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)c1 ZINC001610867684 1352287851 /nfs/dbraw/zinc/28/78/51/1352287851.db2.gz OENOPCGKTWLGAM-UHFFFAOYSA-N -2 0 333.325 2.169 20 0 EEADRL Cc1cc2cc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)o3)ccc2[nH]1 ZINC001592071090 1349588839 /nfs/dbraw/zinc/58/88/39/1349588839.db2.gz LDJSJPTVIYXSJY-UHFFFAOYSA-N -2 0 344.356 2.050 20 0 EEADRL O=C([N-]OC1CCCCC1)C1(c2cc(F)cc(-c3nn[nH]n3)c2)CC1 ZINC001593167112 1349743654 /nfs/dbraw/zinc/74/36/54/1349743654.db2.gz QBXRRNADVWGHDV-UHFFFAOYSA-N -2 0 345.378 2.418 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)nnc1C ZINC001600284198 1350010938 /nfs/dbraw/zinc/01/09/38/1350010938.db2.gz WNGHOZCLEZYMTB-UHFFFAOYSA-N -2 0 349.412 2.256 20 0 EEADRL Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001600316589 1350018819 /nfs/dbraw/zinc/01/88/19/1350018819.db2.gz KGIAFRGZALMXMX-UHFFFAOYSA-N -2 0 338.323 2.436 20 0 EEADRL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1C ZINC001600342356 1350024787 /nfs/dbraw/zinc/02/47/87/1350024787.db2.gz RIEWXPNULMMSCR-UHFFFAOYSA-N -2 0 339.394 2.182 20 0 EEADRL Cc1ccc(NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)c(C(=O)[O-])c1 ZINC001600448505 1350054366 /nfs/dbraw/zinc/05/43/66/1350054366.db2.gz RAGFEQCXLWTQLI-UHFFFAOYSA-N -2 0 331.372 2.020 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)oc1C ZINC001600717694 1350120444 /nfs/dbraw/zinc/12/04/44/1350120444.db2.gz LYITXDPUCVCVAL-UHFFFAOYSA-N -2 0 330.749 2.444 20 0 EEADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)s2)n1 ZINC001602140984 1350449165 /nfs/dbraw/zinc/44/91/65/1350449165.db2.gz ZCEWWBDKHUFTLT-UHFFFAOYSA-N -2 0 332.790 2.224 20 0 EEADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cccc2ncccc12 ZINC001602588087 1350552107 /nfs/dbraw/zinc/55/21/07/1350552107.db2.gz KYPBTYPFMOENIR-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL CC(C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)=C1CCCC1 ZINC001603173405 1350655381 /nfs/dbraw/zinc/65/53/81/1350655381.db2.gz KKWYJGJIHNBTPF-UHFFFAOYSA-N -2 0 337.397 2.221 20 0 EEADRL CC(C)c1ncsc1[N-]S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001604019629 1350830988 /nfs/dbraw/zinc/83/09/88/1350830988.db2.gz BWBXOWPTFMPMCW-UHFFFAOYSA-N -2 0 327.387 2.161 20 0 EEADRL C[C@H](CCC[C@H](C)NS(=O)(=O)c1ccsc1C(=O)[O-])C(=O)[O-] ZINC001604132517 1350868256 /nfs/dbraw/zinc/86/82/56/1350868256.db2.gz PRPGVYVNUFXFJX-BDAKNGLRSA-N -2 0 349.430 2.004 20 0 EEADRL C[C@H](CCC[C@H](C)C(=O)[O-])NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC001604132504 1350868280 /nfs/dbraw/zinc/86/82/80/1350868280.db2.gz PKFMMRSVXKRXHL-DTWKUNHWSA-N -2 0 349.430 2.004 20 0 EEADRL CCc1ncc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cn1 ZINC001605861345 1351239873 /nfs/dbraw/zinc/23/98/73/1351239873.db2.gz OILMHOKHUQGWAA-UHFFFAOYSA-N -2 0 341.776 2.191 20 0 EEADRL COc1cc(S(=O)(=O)[N-]c2cc(C)cc(C)n2)ccc1C(=O)[O-] ZINC001607189841 1351446062 /nfs/dbraw/zinc/44/60/62/1351446062.db2.gz JMUMALFPTIQHGX-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cncc(C(=O)[O-])c2)c(F)cc1F ZINC001607707808 1351543355 /nfs/dbraw/zinc/54/33/55/1351543355.db2.gz GHHQYJHCILEMFO-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL Cc1ccn(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)cc2)n1 ZINC001607891081 1351579941 /nfs/dbraw/zinc/57/99/41/1351579941.db2.gz LEBTZAUFWYBUPB-UHFFFAOYSA-N -2 0 347.352 2.273 20 0 EEADRL Cn1nc(NC(=O)c2cccc(C(F)(F)F)c2[O-])cc1C(=O)[O-] ZINC001608151731 1351636270 /nfs/dbraw/zinc/63/62/70/1351636270.db2.gz RXDCTLORFFKXOT-UHFFFAOYSA-N -2 0 329.234 2.095 20 0 EEADRL O=C(C=Cc1cc(C(=O)[O-])co1)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC001608283083 1351662930 /nfs/dbraw/zinc/66/29/30/1351662930.db2.gz BWTXBSJZKLDHGY-PLNGDYQASA-N -2 0 340.295 2.120 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cccc2nccnc12 ZINC001198779201 1368645896 /nfs/dbraw/zinc/64/58/96/1368645896.db2.gz LRAKGDLOGYMPIS-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL O=C([O-])C[C@H]1CCCN(C(=O)NCc2cccc(C(=O)[O-])c2)CC1 ZINC000840993128 1369905567 /nfs/dbraw/zinc/90/55/67/1369905567.db2.gz KFQVKLPWSKTXKV-LBPRGKRZSA-N -2 0 334.372 2.171 20 0 EEADRL O=P([O-])([O-])OCCNc1ncnc2sc3ccccc3c21 ZINC001168590013 790673209 /nfs/dbraw/zinc/67/32/09/790673209.db2.gz SNEVRYNWGOYPOH-UHFFFAOYSA-N -2 0 325.286 2.366 20 0 EEADRL CSc1ccc(Br)c(NCCOP(=O)([O-])[O-])n1 ZINC001168594975 790994453 /nfs/dbraw/zinc/99/44/53/790994453.db2.gz FQVKRHVEZKYKRU-UHFFFAOYSA-N -2 0 343.139 2.087 20 0 EEADRL CCCc1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])s1 ZINC000910182647 786514685 /nfs/dbraw/zinc/51/46/85/786514685.db2.gz JMVKRPNQTQZEIB-ONGXEEELSA-N -2 0 325.386 2.091 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cccc(C(F)F)c1 ZINC000910182435 786514867 /nfs/dbraw/zinc/51/48/67/786514867.db2.gz IDIFFAKLTPYMBR-WDEREUQCSA-N -2 0 327.283 2.014 20 0 EEADRL CC(C)(C)c1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])s1 ZINC000910184644 786516943 /nfs/dbraw/zinc/51/69/43/786516943.db2.gz QXMBTLGOTCDJKK-UWVGGRQHSA-N -2 0 339.413 2.436 20 0 EEADRL CCCN(C(=O)c1nn(-c2ccccc2CC)cc1[O-])[C@H](C)C(=O)[O-] ZINC000911714037 787652567 /nfs/dbraw/zinc/65/25/67/787652567.db2.gz ONQUQMMZOYWSEL-GFCCVEGCSA-N -2 0 345.399 2.466 20 0 EEADRL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)c1 ZINC000324720343 971151565 /nfs/dbraw/zinc/15/15/65/971151565.db2.gz GLEVAZLFHUGIQD-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C)c1C#N ZINC000325873067 971250731 /nfs/dbraw/zinc/25/07/31/971250731.db2.gz KDVDALJAXXUPTF-UHFFFAOYSA-N -2 0 346.364 2.374 20 0 EEADRL CCN(C(=O)c1cc(Br)c(F)cc1[O-])[C@H](C)C(=O)[O-] ZINC001589704556 950265976 /nfs/dbraw/zinc/26/59/76/950265976.db2.gz BKVTWUCBSIVIIQ-ZCFIWIBFSA-N -2 0 334.141 2.229 20 0 EEADRL Cc1n[nH]c(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000218560207 959786978 /nfs/dbraw/zinc/78/69/78/959786978.db2.gz UEYITFMGMNTUSW-UHFFFAOYSA-N -2 0 329.765 2.179 20 0 EEADRL CC(C)(C)OC(=O)c1cc(C(=O)Nc2cccc(CC(=O)[O-])c2)n[n-]1 ZINC001588726634 961062582 /nfs/dbraw/zinc/06/25/82/961062582.db2.gz IKRCZCRECYYHKG-UHFFFAOYSA-N -2 0 345.355 2.244 20 0 EEADRL CC(C)(SCC(=O)[O-])C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001588794884 961372321 /nfs/dbraw/zinc/37/23/21/961372321.db2.gz SJPFTYWKGSHXIB-UHFFFAOYSA-N -2 0 325.386 2.239 20 0 EEADRL O=C([O-])[C@@H]1CN(C(=O)c2cccc(F)c2[O-])C[C@@H]1c1ccccc1 ZINC001571184771 962189590 /nfs/dbraw/zinc/18/95/90/962189590.db2.gz HRCFVLZXYYGVEY-ZIAGYGMSSA-N -2 0 329.327 2.472 20 0 EEADRL O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1cc(F)cc(F)c1[O-] ZINC001571207699 962417200 /nfs/dbraw/zinc/41/72/00/962417200.db2.gz AHNNISNXQKVGPL-AWEZNQCLSA-N -2 0 333.290 2.322 20 0 EEADRL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC000863955412 969311741 /nfs/dbraw/zinc/31/17/41/969311741.db2.gz LFSYCKJYEBCSAV-WBMJQRKESA-N -2 0 337.397 2.005 20 0 EEADRL CCOc1cccc(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1 ZINC000319949992 970593001 /nfs/dbraw/zinc/59/30/01/970593001.db2.gz HHNAUCMFJWIZQR-UHFFFAOYSA-N -2 0 337.353 2.290 20 0 EEADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]c1cncc2ccccc21 ZINC000396509056 972909736 /nfs/dbraw/zinc/90/97/36/972909736.db2.gz DJJFIIHLPLRUPK-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL CC[C@@]1(C(=O)[N-]OCCCC(=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC001595366345 980814567 /nfs/dbraw/zinc/81/45/67/980814567.db2.gz DXKISIHZEWJRHW-INIZCTEOSA-N -2 0 344.408 2.079 20 0 EEADRL CCC/C(C)=C\C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001595564819 981453016 /nfs/dbraw/zinc/45/30/16/981453016.db2.gz ACBYNHRQJMTZNE-LUAWRHEFSA-N -2 0 325.386 2.077 20 0 EEADRL CCCO[N-]C(=O)C(=O)Nc1cc(C(=O)[O-])cc(Cl)c1Cl ZINC001595947201 983114375 /nfs/dbraw/zinc/11/43/75/983114375.db2.gz MIZMCIHDKWQJSH-UHFFFAOYSA-N -2 0 335.143 2.088 20 0 EEADRL CCOC(=O)CCc1c(C)[n-]n(-c2ccc(C(=O)[O-])cc2OC)c1=O ZINC001596600921 984556418 /nfs/dbraw/zinc/55/64/18/984556418.db2.gz DWCJVOPPGMANGO-GFCCVEGCSA-N -2 0 348.355 2.075 20 0 EEADRL CC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)ccc(C(=O)[O-])c2O)cc1 ZINC001589301957 986063331 /nfs/dbraw/zinc/06/33/31/986063331.db2.gz LOHRWNXVTJGAOI-UHFFFAOYSA-N -2 0 349.364 2.402 20 0 EEADRL CC[C@@H](NC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1ccccc1 ZINC001597286084 987365122 /nfs/dbraw/zinc/36/51/22/987365122.db2.gz KLEKEUULTMKYKH-MJBXVCDLSA-N -2 0 334.372 2.097 20 0 EEADRL CCc1cccc(CC)c1S(=O)(=O)[N-]c1cnc(C(=O)[O-])cn1 ZINC001597587347 988411094 /nfs/dbraw/zinc/41/10/94/988411094.db2.gz XRWWMIQBXYSSCP-UHFFFAOYSA-N -2 0 335.385 2.100 20 0 EEADRL CSc1ccccc1C(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001599823539 988556733 /nfs/dbraw/zinc/55/67/33/988556733.db2.gz WGBWKNADFZYAOS-FBWYHRDQSA-N -2 0 349.408 2.046 20 0 EEADRL CCc1ncc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC)s1 ZINC001597703647 988942203 /nfs/dbraw/zinc/94/22/03/988942203.db2.gz SHLAXLPGWCWTIQ-UHFFFAOYSA-N -2 0 342.398 2.213 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC)nc1C ZINC001597792011 989329014 /nfs/dbraw/zinc/32/90/14/989329014.db2.gz VDOUHYRZAKYVCA-UHFFFAOYSA-N -2 0 340.357 2.053 20 0 EEADRL CC(C)C[C@H](CNC(=O)N1CCC[C@H](CCC(=O)[O-])C1)CC(=O)[O-] ZINC001591448446 992551305 /nfs/dbraw/zinc/55/13/05/992551305.db2.gz KHOLEZDWQHBPQZ-KGLIPLIRSA-N -2 0 342.436 2.410 20 0 EEADRL COCc1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC001599294358 997112534 /nfs/dbraw/zinc/11/25/34/997112534.db2.gz ATHXLECOBDAGCS-UHFFFAOYSA-N -2 0 325.342 2.233 20 0 EEADRL CC(C)[C@H]1CC[C@@H](C)C[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001594299329 999155647 /nfs/dbraw/zinc/15/56/47/999155647.db2.gz XRPRVKYMQBLCLL-IJLUTSLNSA-N -2 0 344.433 2.360 20 0 EEADRL C[C@H]1CCC[C@]1(C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001594357364 999351416 /nfs/dbraw/zinc/35/14/16/999351416.db2.gz LXGRBMKSMAIEFD-SDBXPKJASA-N -2 0 331.415 2.078 20 0 EEADRL C[C@H]1CCN(C(=O)NCCCCCCCC(=O)[O-])C[C@H]1C(=O)[O-] ZINC001594403545 999512569 /nfs/dbraw/zinc/51/25/69/999512569.db2.gz UIBJMGGIJGZWFB-QWHCGFSZSA-N -2 0 328.409 2.164 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1OCCO2 ZINC000055685644 214338393 /nfs/dbraw/zinc/33/83/93/214338393.db2.gz KXSBJGSMCWAQEK-UHFFFAOYSA-N -2 0 349.364 2.265 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2cc(C)cc(F)c2)cc1C(=O)[O-] ZINC000316651649 539750462 /nfs/dbraw/zinc/75/04/62/539750462.db2.gz AEWJCIRSXRCBCC-UHFFFAOYSA-N -2 0 326.349 2.455 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)cc1C(=O)[O-] ZINC000037045510 213131007 /nfs/dbraw/zinc/13/10/07/213131007.db2.gz YRBPZTBWTRRTIL-UHFFFAOYSA-N -2 0 332.740 2.317 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)c[nH]1 ZINC000346406879 161370015 /nfs/dbraw/zinc/37/00/15/161370015.db2.gz IHDXXDOSNJPTMH-UHFFFAOYSA-N -2 0 333.325 2.169 20 0 EEADRL C[C@H](C1CC1)n1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cn1 ZINC000187734111 268548786 /nfs/dbraw/zinc/54/87/86/268548786.db2.gz MZTLZHKMBSOVIS-SNVBAGLBSA-N -2 0 335.385 2.353 20 0 EEADRL CCn1nc(C)c([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1C ZINC000266049728 274105534 /nfs/dbraw/zinc/10/55/34/274105534.db2.gz RJPWYTTXJNRUKD-UHFFFAOYSA-N -2 0 343.430 2.389 20 0 EEADRL CCc1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cn1 ZINC000269485236 274115226 /nfs/dbraw/zinc/11/52/26/274115226.db2.gz QIQVFFJRZPIYHV-UHFFFAOYSA-N -2 0 335.385 2.155 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)sc1C(=O)[O-] ZINC000285188905 274691627 /nfs/dbraw/zinc/69/16/27/274691627.db2.gz VFYJVIANLPPSCB-UHFFFAOYSA-N -2 0 341.414 2.088 20 0 EEADRL CC(C)C[C@H](CNC(=O)c1nn(-c2ccccc2)cc1[O-])C(=O)[O-] ZINC000424237442 279162538 /nfs/dbraw/zinc/16/25/38/279162538.db2.gz CVSVGZRSBBOIPP-GFCCVEGCSA-N -2 0 331.372 2.055 20 0 EEADRL C[C@H]1CCCc2nc(S(=O)(=O)[N-]c3ccccc3C(=O)[O-])cn21 ZINC000416405721 313214147 /nfs/dbraw/zinc/21/41/47/313214147.db2.gz CLOJPEOWJUQHLD-JTQLQIEISA-N -2 0 335.385 2.279 20 0 EEADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c1 ZINC000436893120 315009953 /nfs/dbraw/zinc/00/99/53/315009953.db2.gz MPLWUHHKEUHNMH-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL Cc1cnc(N)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000547551161 318299137 /nfs/dbraw/zinc/29/91/37/318299137.db2.gz JQHROYXVJUHCET-UHFFFAOYSA-N -2 0 335.385 2.088 20 0 EEADRL CC[C@@](C)(C[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(=O)[O-] ZINC000565541696 319192393 /nfs/dbraw/zinc/19/23/93/319192393.db2.gz VSNRTFVUHNDKAR-LBPRGKRZSA-N -2 0 343.298 2.022 20 0 EEADRL O=C([O-])[C@@H]1CCN(C(=O)c2cc(Cl)cc(Br)c2[O-])C1 ZINC000567863237 319427497 /nfs/dbraw/zinc/42/74/97/319427497.db2.gz GEQOAAZHLOGCGB-ZCFIWIBFSA-N -2 0 348.580 2.355 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2c[nH]c3ncccc23)ccc1C(=O)[O-] ZINC000326976474 465046329 /nfs/dbraw/zinc/04/63/29/465046329.db2.gz NVZUZNJPAPYJJB-UHFFFAOYSA-N -2 0 347.352 2.071 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)c(C(=O)[O-])c1 ZINC000336871444 465064478 /nfs/dbraw/zinc/06/44/78/465064478.db2.gz MBUWZLZIXTWQHO-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)c1C ZINC000076022388 462788876 /nfs/dbraw/zinc/78/88/76/462788876.db2.gz DGMVQRYHYDUUGS-UHFFFAOYSA-N -2 0 337.401 2.327 20 0 EEADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc3c2OCO3)ccc1F ZINC000337769734 465568205 /nfs/dbraw/zinc/56/82/05/465568205.db2.gz UXFQAQFKUYFFPM-UHFFFAOYSA-N -2 0 339.300 2.053 20 0 EEADRL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000348454475 465615444 /nfs/dbraw/zinc/61/54/44/465615444.db2.gz YDEPTKKUYNNLMT-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL O=C([O-])Cc1ccccc1CS(=O)(=O)[N-]c1cccc2c[nH]nc21 ZINC000357021612 465706380 /nfs/dbraw/zinc/70/63/80/465706380.db2.gz AOTOLABKFNGOMT-UHFFFAOYSA-N -2 0 345.380 2.132 20 0 EEADRL COc1ncc(C)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000357382310 465992204 /nfs/dbraw/zinc/99/22/04/465992204.db2.gz NLWCHFMNFAPMIA-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc2c1OCCO2 ZINC000357514483 466094895 /nfs/dbraw/zinc/09/48/95/466094895.db2.gz DRSBISAECCFCAX-UHFFFAOYSA-N -2 0 349.364 2.265 20 0 EEADRL COc1ccccc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000314562661 466551023 /nfs/dbraw/zinc/55/10/23/466551023.db2.gz MMQBZBFNTJBPGH-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2ccccc2OC)c(C(=O)[O-])c1 ZINC000322043998 466629310 /nfs/dbraw/zinc/62/93/10/466629310.db2.gz HESLUHCPXHSEDC-UHFFFAOYSA-N -2 0 337.353 2.203 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2cc(C)oc2C)ccc1C(=O)[O-] ZINC000408515065 466671625 /nfs/dbraw/zinc/67/16/25/466671625.db2.gz DMSUTZWEFWSNPM-UHFFFAOYSA-N -2 0 325.342 2.404 20 0 EEADRL O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(F)cc(F)cc2F)C1 ZINC000387292150 467392959 /nfs/dbraw/zinc/39/29/59/467392959.db2.gz KVZBYMIOYBUIAS-APPZFPTMSA-N -2 0 337.319 2.026 20 0 EEADRL CC(C)n1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cn1 ZINC000390451968 467409205 /nfs/dbraw/zinc/40/92/05/467409205.db2.gz BQSJMOQWKVQUMS-UHFFFAOYSA-N -2 0 337.401 2.282 20 0 EEADRL O=C([O-])[C@H](CC1CCC1)[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000530367532 467979578 /nfs/dbraw/zinc/97/95/78/467979578.db2.gz DRYPLSLTDQTXPQ-NSHDSACASA-N -2 0 337.319 2.026 20 0 EEADRL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)CCC1CC1 ZINC000515299718 467983376 /nfs/dbraw/zinc/98/33/76/467983376.db2.gz YFARFAOORRXQLG-VIFPVBQESA-N -2 0 345.392 2.390 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N2CC[C@](C)(C(=O)[O-])C2)n1 ZINC000647248002 470866800 /nfs/dbraw/zinc/86/68/00/470866800.db2.gz SSNROJXNMWVVIG-SFHVURJKSA-N -2 0 343.383 2.077 20 0 EEADRL CC(C)(C)CN(CC(=O)[O-])C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000663138615 472370438 /nfs/dbraw/zinc/37/04/38/472370438.db2.gz YDWWZQXCCXOJBO-UHFFFAOYSA-N -2 0 349.362 2.290 20 0 EEADRL CSCc1cccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])c1 ZINC000738147359 578000896 /nfs/dbraw/zinc/00/08/96/578000896.db2.gz VKUGFRNNWXHBNN-UHFFFAOYSA-N -2 0 341.414 2.080 20 0 EEADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000776502362 577461052 /nfs/dbraw/zinc/46/10/52/577461052.db2.gz DAACTKQPZDQIJT-UHFFFAOYSA-N -2 0 349.412 2.335 20 0 EEADRL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc(C)c(C(=O)[O-])c1 ZINC000743266192 577882445 /nfs/dbraw/zinc/88/24/45/577882445.db2.gz KJGOXPJXMACVAW-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])sc1C ZINC000738864756 578029231 /nfs/dbraw/zinc/02/92/31/578029231.db2.gz BRTARMPXLQCOPD-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL O=C([O-])c1ccc(CNC(=O)c2cccc(Br)c2[O-])o1 ZINC000740130717 578082074 /nfs/dbraw/zinc/08/20/74/578082074.db2.gz JFOUKMUWVKHIAI-UHFFFAOYSA-N -2 0 340.129 2.376 20 0 EEADRL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])c1cccs1 ZINC000736214424 578188492 /nfs/dbraw/zinc/18/84/92/578188492.db2.gz GLOICIGPAGOTOJ-SSDOTTSWSA-N -2 0 345.423 2.116 20 0 EEADRL CCn1nc(C)c(S(=O)(=O)[N-]c2cc(C)c(C(=O)[O-])s2)c1C ZINC000737311592 578249655 /nfs/dbraw/zinc/24/96/55/578249655.db2.gz BAAXNMDSUKYKQQ-UHFFFAOYSA-N -2 0 343.430 2.389 20 0 EEADRL Cc1ccc(S(=O)(=O)Nc2ccccc2CC(=O)[O-])cc1C(=O)[O-] ZINC000818922097 597313940 /nfs/dbraw/zinc/31/39/40/597313940.db2.gz BIYNTFYMTFGMAX-UHFFFAOYSA-N -2 0 349.364 2.121 20 0 EEADRL Cc1ccnc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000319665076 599882803 /nfs/dbraw/zinc/88/28/03/599882803.db2.gz HDMZZMOZPLKMRM-UHFFFAOYSA-N -2 0 336.369 2.044 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])cc1Cl ZINC000316201657 600513648 /nfs/dbraw/zinc/51/36/48/600513648.db2.gz MMLKQUPOPZMHHY-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL O=C([O-])c1cccn2cc(COC(=O)c3c(F)cc([O-])cc3F)nc12 ZINC000833353854 601189513 /nfs/dbraw/zinc/18/95/13/601189513.db2.gz VJTOIQFSUPKKSH-UHFFFAOYSA-N -2 0 348.261 2.373 20 0 EEADRL O=C([O-])[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2Cl)C1 ZINC000833184696 601236119 /nfs/dbraw/zinc/23/61/19/601236119.db2.gz SHMGCWDRWGGKPX-UWVGGRQHSA-N -2 0 345.804 2.036 20 0 EEADRL C[C@@H](CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)[O-])C(=O)[O-] ZINC000827570414 601240959 /nfs/dbraw/zinc/24/09/59/601240959.db2.gz DDHTVQNCYBIPGV-VIFPVBQESA-N -2 0 337.353 2.000 20 0 EEADRL CCCCCc1nnc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)s1 ZINC000829373503 601502535 /nfs/dbraw/zinc/50/25/35/601502535.db2.gz ZPOKSAPBMOYNCY-UHFFFAOYSA-N -2 0 344.418 2.098 20 0 EEADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1nnc(C2CC2)s1 ZINC000833318592 601502743 /nfs/dbraw/zinc/50/27/43/601502743.db2.gz RJEKHWYGYPHTDQ-UHFFFAOYSA-N -2 0 343.361 2.054 20 0 EEADRL C[C@H]1CC/C(=C/C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000828201216 601546432 /nfs/dbraw/zinc/54/64/32/601546432.db2.gz QINGMTJAMYXMNE-KWJWQAOWSA-N -2 0 337.397 2.077 20 0 EEADRL CC(C)CC(C)(C)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000826759963 601843140 /nfs/dbraw/zinc/84/31/40/601843140.db2.gz YIQGHJYBOWWMES-UHFFFAOYSA-N -2 0 327.402 2.262 20 0 EEADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(Cl)nc1 ZINC000833295439 601847621 /nfs/dbraw/zinc/84/76/21/601847621.db2.gz WTZPXGALQKFZGN-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL CCCCc1cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])n[nH]1 ZINC000829430553 602103184 /nfs/dbraw/zinc/10/31/84/602103184.db2.gz BROAGHUXTQFDBU-UHFFFAOYSA-N -2 0 341.364 2.390 20 0 EEADRL Cc1[nH]nc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1C ZINC000228328899 602211253 /nfs/dbraw/zinc/21/12/53/602211253.db2.gz YQJXYCBOSTZXJN-UHFFFAOYSA-N -2 0 329.765 2.179 20 0 EEADRL O=C([O-])CCc1csc([N-]S(=O)(=O)c2cc(F)ccc2F)n1 ZINC000833243512 604626340 /nfs/dbraw/zinc/62/63/40/604626340.db2.gz JVBXRIRUYBMFEL-UHFFFAOYSA-N -2 0 348.352 2.239 20 0 EEADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1 ZINC000863955825 1197936201 /nfs/dbraw/zinc/93/62/01/1197936201.db2.gz ZLVCYRZWAXKFNR-LLVKDONJSA-N -2 0 327.402 2.085 20 0 EEADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2noc3cnccc32)cc1 ZINC001192109762 1281802403 /nfs/dbraw/zinc/80/24/03/1281802403.db2.gz KRWIXSQLMCUXKT-UHFFFAOYSA-N -2 0 347.352 2.041 20 0 EEADRL Cc1nocc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001193971740 1282799519 /nfs/dbraw/zinc/79/95/19/1282799519.db2.gz JGTAPTNNPRAYKM-UHFFFAOYSA-N -2 0 334.712 2.275 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)[O-])c2)c(F)c1 ZINC001196380429 1284035428 /nfs/dbraw/zinc/03/54/28/1284035428.db2.gz PXNDJLCVNUGCBI-UHFFFAOYSA-N -2 0 345.373 2.182 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1snc2cccnc21 ZINC001198747284 1285316760 /nfs/dbraw/zinc/31/67/60/1285316760.db2.gz UPBVOLROIFLSQF-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL CC(C)n1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)n1 ZINC000391981102 1286475524 /nfs/dbraw/zinc/47/55/24/1286475524.db2.gz OGMIDWBLEHUFEN-UHFFFAOYSA-N -2 0 345.327 2.241 20 0 EEADRL O=c1nc(O[C@@H](COc2ccccc2)c2ccccc2)[nH]c(=O)[n-]1 ZINC001227569656 1301893585 /nfs/dbraw/zinc/89/35/85/1301893585.db2.gz DSMFYLZUUMIEHT-AWEZNQCLSA-N -2 0 325.324 2.482 20 0 EEADRL O=P([O-])([O-])c1ccc(-c2ccc(OCC(F)(F)F)nc2)cc1 ZINC001239955247 1309218262 /nfs/dbraw/zinc/21/82/62/1309218262.db2.gz IIOVXSRODDEXBP-UHFFFAOYSA-N -2 0 333.202 2.493 20 0 EEADRL COC(=O)c1c[nH]c2nc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)ccc12 ZINC001242159319 1309621366 /nfs/dbraw/zinc/62/13/66/1309621366.db2.gz HRKCTSMPCZQRGU-UHFFFAOYSA-N -2 0 340.291 2.413 20 0 EEADRL CCOC(=O)c1ncnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1C ZINC001242159130 1309622011 /nfs/dbraw/zinc/62/20/11/1309622011.db2.gz HYQPBHJAFSLEJQ-UHFFFAOYSA-N -2 0 330.296 2.025 20 0 EEADRL O=C([O-])c1cc(-c2cccc(S(=O)(=O)[O-])n2)c(F)cc1Cl ZINC001244609935 1309961613 /nfs/dbraw/zinc/96/16/13/1309961613.db2.gz JOEOAZISBUZALW-UHFFFAOYSA-N -2 0 331.708 2.486 20 0 EEADRL O=C([O-])c1cccnc1-n1[n-]c(-c2ccc3c(c2)OCO3)cc1=O ZINC001245930342 1310190659 /nfs/dbraw/zinc/19/06/59/1310190659.db2.gz MKYBFNRNLDQMFU-UHFFFAOYSA-N -2 0 325.280 2.067 20 0 EEADRL Cc1cnn(CC2CCC2)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260222743 1319837282 /nfs/dbraw/zinc/83/72/82/1319837282.db2.gz CMPTZCSTZRXLLY-UHFFFAOYSA-N -2 0 349.412 2.491 20 0 EEADRL Cc1nocc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259213983 1319488811 /nfs/dbraw/zinc/48/88/11/1319488811.db2.gz WSNCQFHVONPRHA-UHFFFAOYSA-N -2 0 334.712 2.275 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cnc1F ZINC001260209419 1319832567 /nfs/dbraw/zinc/83/25/67/1319832567.db2.gz DQQFVJWKBQIYSE-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL Cc1cn2c(cccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC001260220697 1319835676 /nfs/dbraw/zinc/83/56/76/1319835676.db2.gz HZHDELSFEOGGFF-UHFFFAOYSA-N -2 0 331.353 2.142 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc3occc3c2)ccc1O ZINC001260394172 1319882721 /nfs/dbraw/zinc/88/27/21/1319882721.db2.gz UFWAMISPVLDTTF-UHFFFAOYSA-N -2 0 334.309 2.032 20 0 EEADRL O=C([O-])c1cc(NC(=O)C(=O)[N-]OCc2ccccc2)ccc1Cl ZINC001608484741 1351702472 /nfs/dbraw/zinc/70/24/72/1351702472.db2.gz QAXANTNOTGMQTP-UHFFFAOYSA-N -2 0 348.742 2.225 20 0 EEADRL O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC001608599833 1351723130 /nfs/dbraw/zinc/72/31/30/1351723130.db2.gz UBGSWCIBZVKFGN-BREBYQMCSA-N -2 0 332.381 2.442 20 0 EEADRL O=C([O-])CCCNC(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001608714658 1351747598 /nfs/dbraw/zinc/74/75/98/1351747598.db2.gz SVYDQKLNFOHMJD-UHFFFAOYSA-N -2 0 326.374 2.240 20 0 EEADRL O=C([O-])CCSCc1cccc(NC(=O)[C@@H](C(=O)[O-])C2CC2)c1 ZINC001608733601 1351751509 /nfs/dbraw/zinc/75/15/09/1351751509.db2.gz OAALYCPIBCAFRX-AWEZNQCLSA-N -2 0 337.397 2.444 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)C2CCCC2)cc1Cl ZINC001608911095 1351792044 /nfs/dbraw/zinc/79/20/44/1351792044.db2.gz WMPOSOPIPOWILG-UHFFFAOYSA-N -2 0 331.777 2.033 20 0 EEADRL O=C([O-])c1csc([N-]S(=O)(=O)c2cnn(C3CCC3)c2)c1 ZINC001608993449 1351810294 /nfs/dbraw/zinc/81/02/94/1351810294.db2.gz MYBCWDKSHCZFAV-UHFFFAOYSA-N -2 0 327.387 2.169 20 0 EEADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC001609009702 1351813555 /nfs/dbraw/zinc/81/35/55/1351813555.db2.gz DLPTZVCHIRTRRS-NXEZZACHSA-N -2 0 343.426 2.078 20 0 EEADRL C[C@@H](NC(=O)C[C@H](C(=O)[O-])c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001609758705 1352077764 /nfs/dbraw/zinc/07/77/64/1352077764.db2.gz BWUALDIPMVEDSP-KOLCDFICSA-N -2 0 348.380 2.277 20 0 EEADRL C[C@@H](O[C@@H](C)C(=O)[O-])C(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC001609801188 1352088547 /nfs/dbraw/zinc/08/85/47/1352088547.db2.gz WOFGCPQTBLPYNV-ZJUUUORDSA-N -2 0 331.324 2.355 20 0 EEADRL CC[C@@H](C)c1ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cc1 ZINC001609908989 1352117557 /nfs/dbraw/zinc/11/75/57/1352117557.db2.gz HTFJGBORZXFDHM-LLVKDONJSA-N -2 0 341.429 2.371 20 0 EEADRL CCC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-] ZINC001609956280 1352129445 /nfs/dbraw/zinc/12/94/45/1352129445.db2.gz QNBIRCNWJCEBSY-DGCLKSJQSA-N -2 0 333.450 2.292 20 0 EEADRL CCOC(=O)c1cnc(/C=C\c2ccc(C(=O)[O-])[nH]2)c(C(=O)[O-])c1 ZINC001610023993 1352143898 /nfs/dbraw/zinc/14/38/98/1352143898.db2.gz MWXJSXIVLCEPOJ-HYXAFXHYSA-N -2 0 330.296 2.153 20 0 EEADRL CCc1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)s1 ZINC001610069219 1352154836 /nfs/dbraw/zinc/15/48/36/1352154836.db2.gz SBMNWMTUDJQZHE-UHFFFAOYSA-N -2 0 330.362 2.344 20 0 EEADRL CSCc1ccc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)cc1 ZINC001610384046 1352214246 /nfs/dbraw/zinc/21/42/46/1352214246.db2.gz LOSCZTNYSJBTGJ-UHFFFAOYSA-N -2 0 338.410 2.444 20 0 EEADRL Cc1csc([N-]S(=O)(=O)c2cccc3nonc32)c1C(=O)[O-] ZINC001610548950 1352243029 /nfs/dbraw/zinc/24/30/29/1352243029.db2.gz CHJQNISUPDHFSI-UHFFFAOYSA-N -2 0 339.354 2.092 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2cnc3ccccc3c2)sc1C(=O)[O-] ZINC001610558628 1352244655 /nfs/dbraw/zinc/24/46/55/1352244655.db2.gz QDKUDXHAEJCXDU-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001610576678 1352247762 /nfs/dbraw/zinc/24/77/62/1352247762.db2.gz CAHAJNGBAAWMQS-UHFFFAOYSA-N -2 0 338.341 2.065 20 0 EEADRL O=C([O-])c1n[nH]c2ccc(NC(=O)c3cc(=O)c4ccccc4[n-]3)cc21 ZINC001610707655 1352262699 /nfs/dbraw/zinc/26/26/99/1352262699.db2.gz FBEHARDFUJYBDG-UHFFFAOYSA-N -2 0 348.318 2.355 20 0 EEADRL O=C([O-])c1cc(F)cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1F ZINC001610812724 1352279288 /nfs/dbraw/zinc/27/92/88/1352279288.db2.gz VHCPSKFWBDZMJA-IUCAKERBSA-N -2 0 325.267 2.269 20 0 EEADRL CC[C@H](C)[C@H](NC(=O)c1cccc(Br)c1[O-])C(=O)[O-] ZINC001597321566 1349922583 /nfs/dbraw/zinc/92/25/83/1349922583.db2.gz KPCVHMCPJNAGBA-XVKPBYJWSA-N -2 0 330.178 2.384 20 0 EEADRL Cc1c(NS(=O)(=O)CC2(C(=O)[O-])CCCC2)cccc1C(=O)[O-] ZINC001600055278 1349962744 /nfs/dbraw/zinc/96/27/44/1349962744.db2.gz RGSRPZOLHGVXLE-UHFFFAOYSA-N -2 0 341.385 2.080 20 0 EEADRL Cc1ccc(CS(=O)(=O)[N-]c2csnc2C(=O)[O-])c(F)c1 ZINC001600421885 1350047416 /nfs/dbraw/zinc/04/74/16/1350047416.db2.gz JXAQVKVEKUSPFV-UHFFFAOYSA-N -2 0 330.362 2.231 20 0 EEADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)N[C@](C)(C(=O)[O-])C3CC3)n2)c1 ZINC001600426994 1350048593 /nfs/dbraw/zinc/04/85/93/1350048593.db2.gz QVBBEGQUUYTQPX-KRWDZBQOSA-N -2 0 347.346 2.009 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(CC(=O)[O-])c2)c(C)c1 ZINC001600478141 1350061527 /nfs/dbraw/zinc/06/15/27/1350061527.db2.gz MYXKPNDSYVNNJY-UHFFFAOYSA-N -2 0 347.392 2.049 20 0 EEADRL Cc1cccc2nc(N3C[C@H](C(=O)[O-])C4(CC(C(=O)[O-])C4)C3)oc21 ZINC001600561069 1350082958 /nfs/dbraw/zinc/08/29/58/1350082958.db2.gz YDBZHPHSVISADF-VVHFOWEKSA-N -2 0 330.340 2.138 20 0 EEADRL Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1C(=O)[O-] ZINC001600777527 1350134500 /nfs/dbraw/zinc/13/45/00/1350134500.db2.gz JZJXTAQAVRFFPL-UHFFFAOYSA-N -2 0 337.401 2.351 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2O)c1C(=O)[O-] ZINC001600838688 1350148669 /nfs/dbraw/zinc/14/86/69/1350148669.db2.gz NZENAZXQJUIGNT-UHFFFAOYSA-N -2 0 329.305 2.240 20 0 EEADRL O=C([O-])C1(NS(=O)(=O)c2cccc(Cl)c2[O-])CCCCC1 ZINC001601724052 1350347991 /nfs/dbraw/zinc/34/79/91/1350347991.db2.gz VBQGMSIECGFIOS-UHFFFAOYSA-N -2 0 333.793 2.111 20 0 EEADRL O=C([O-])C1CC2(C1)CN(c1nccc3ccc(F)cc31)C[C@@H]2C(=O)[O-] ZINC001601782981 1350363758 /nfs/dbraw/zinc/36/37/58/1350363758.db2.gz VVPFFJDUBDDWLW-NDBLMLTRSA-N -2 0 344.342 2.376 20 0 EEADRL O=C([O-])/C=C\c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2O)cc1 ZINC001601884192 1350390611 /nfs/dbraw/zinc/39/06/11/1350390611.db2.gz INDSDMJKBULOHP-BAQGIRSFSA-N -2 0 337.328 2.430 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)oc1Cl ZINC001602292742 1350486769 /nfs/dbraw/zinc/48/67/69/1350486769.db2.gz FKQXVIVGTNKTOD-UHFFFAOYSA-N -2 0 347.698 2.395 20 0 EEADRL O=C([O-])c1ccc(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c(F)c1 ZINC001602379047 1350507129 /nfs/dbraw/zinc/50/71/29/1350507129.db2.gz FWAFGRLEEUFOSL-WDEREUQCSA-N -2 0 336.319 2.098 20 0 EEADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC001602385581 1350507871 /nfs/dbraw/zinc/50/78/71/1350507871.db2.gz OIWOGKGPWYBYEY-UHFFFAOYSA-N -3 0 345.329 2.084 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ncc(-c3ccccc3)cn2)o1 ZINC001602402734 1350510864 /nfs/dbraw/zinc/51/08/64/1350510864.db2.gz RIAMLGBSIUHWRL-UHFFFAOYSA-N -2 0 345.336 2.236 20 0 EEADRL O=C([O-])c1ccc2[nH]c(CNC(=O)c3cc(F)cc(F)c3[O-])nc2c1 ZINC001602406889 1350512292 /nfs/dbraw/zinc/51/22/92/1350512292.db2.gz SGDBCUXTXZWNHI-UHFFFAOYSA-N -2 0 347.277 2.175 20 0 EEADRL O=C([O-])c1cccc(CS(=O)(=O)Nc2ccccc2C(=O)[O-])c1 ZINC001602441377 1350520345 /nfs/dbraw/zinc/52/03/45/1350520345.db2.gz QDMAAKCGNZYANE-UHFFFAOYSA-N -2 0 335.337 2.025 20 0 EEADRL O=C([O-])c1ccccc1CCOC(=O)c1cc(F)cc2n[nH]nc21 ZINC001602467157 1350525882 /nfs/dbraw/zinc/52/58/82/1350525882.db2.gz QVPSJOXIUPSTRL-UHFFFAOYSA-N -2 0 329.287 2.195 20 0 EEADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc2ncccc2c1 ZINC001602587851 1350552219 /nfs/dbraw/zinc/55/22/19/1350552219.db2.gz GHZOFDMTUOOKPS-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cc2sccc2s1 ZINC001603186891 1350658728 /nfs/dbraw/zinc/65/87/28/1350658728.db2.gz CVFZWXNIOPXPJB-BQBZGAKWSA-N -2 0 347.439 2.132 20 0 EEADRL CC(C)CC(CC(C)C)C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-] ZINC001603769196 1350762577 /nfs/dbraw/zinc/76/25/77/1350762577.db2.gz BPBNFFHWJQPMLI-NWDGAFQWSA-N -2 0 335.466 2.250 20 0 EEADRL CCO[C@H](CS(=O)(=O)[N-]c1c(F)ccc(F)c1C(=O)[O-])C1CC1 ZINC001605592602 1351196682 /nfs/dbraw/zinc/19/66/82/1351196682.db2.gz BUAKCNPOCYGPBX-LLVKDONJSA-N -2 0 349.355 2.220 20 0 EEADRL CCS(=O)(=O)[N-]C(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001605725906 1351219138 /nfs/dbraw/zinc/21/91/38/1351219138.db2.gz LMHDTXVEJILOAW-UHFFFAOYSA-N -2 0 333.365 2.131 20 0 EEADRL CN(Cc1nc(=O)c2sccc2[n-]1)[C@@H](C(=O)[O-])c1cccnc1 ZINC001606177996 1351282459 /nfs/dbraw/zinc/28/24/59/1351282459.db2.gz ZSMWDFZERLSLBT-GFCCVEGCSA-N -2 0 330.369 2.050 20 0 EEADRL CO[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2[O-])[C@](C)(C(=O)[O-])C1 ZINC001606765948 1351353966 /nfs/dbraw/zinc/35/39/66/1351353966.db2.gz WZPDMYPQRDLSPM-RTHLEPHNSA-N -2 0 347.289 2.115 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)oc1C ZINC001607595148 1351521446 /nfs/dbraw/zinc/52/14/46/1351521446.db2.gz QAZKOCONUIKMGH-UHFFFAOYSA-N -2 0 328.321 2.238 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2ccnn2C(C)(C)C)ccc1C(=O)[O-] ZINC001607708074 1351543454 /nfs/dbraw/zinc/54/34/54/1351543454.db2.gz SNDCAMFXENBJAA-UHFFFAOYSA-N -2 0 337.401 2.446 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(C)cc2C)oc1C(=O)[O-] ZINC001607731782 1351548348 /nfs/dbraw/zinc/54/83/48/1351548348.db2.gz GLFSWCMMLXEZFI-UHFFFAOYSA-N -2 0 337.353 2.022 20 0 EEADRL Cc1ccc([C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C(=O)[O-])cc1C ZINC001607757605 1351553290 /nfs/dbraw/zinc/55/32/90/1351553290.db2.gz TZDAITWRRDHFNY-CYBMUJFWSA-N -2 0 341.323 2.101 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2ccnn2C(C)(C)C)cc1C(=O)[O-] ZINC001608056809 1351616025 /nfs/dbraw/zinc/61/60/25/1351616025.db2.gz IKRKRHREJCZQSW-UHFFFAOYSA-N -2 0 327.362 2.039 20 0 EEADRL O=P([O-])([O-])OCCNc1ccc(-c2nc3cc[nH]cc-3n2)cc1 ZINC001168591477 790769416 /nfs/dbraw/zinc/76/94/16/790769416.db2.gz SAUPLDGXMZUVTJ-UHFFFAOYSA-N -2 0 334.272 2.146 20 0 EEADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CCC[C@@H]2C2CCC2)c1 ZINC000906853450 784210184 /nfs/dbraw/zinc/21/01/84/784210184.db2.gz SCAPNXVUBYKPMW-GFCCVEGCSA-N -2 0 325.386 2.044 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)CC/C=C/c2ccccc2)C1 ZINC000910187517 786519668 /nfs/dbraw/zinc/51/96/68/786519668.db2.gz DNNBNZJHKOBOMV-GMLRFVCHSA-N -2 0 331.368 2.256 20 0 EEADRL CC(C)(C)c1ccc(CC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1 ZINC000910187045 786519730 /nfs/dbraw/zinc/51/97/30/786519730.db2.gz YIWDUONFISCENE-DZGCQCFKSA-N -2 0 347.411 2.303 20 0 EEADRL CCc1ccc([C@H](C)C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1 ZINC000910187889 786520279 /nfs/dbraw/zinc/52/02/79/786520279.db2.gz HGUOMIBVAKLJAC-TUKIKUTGSA-N -2 0 333.384 2.129 20 0 EEADRL CCCCc1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1 ZINC000910192773 786524611 /nfs/dbraw/zinc/52/46/11/786524611.db2.gz UZEVGRVSWSWGKU-LSDHHAIUSA-N -2 0 333.384 2.419 20 0 EEADRL O=C([O-])C1CC2(C1)C[C@H](NC(=O)c1ccc([O-])c(Cl)c1)CCO2 ZINC000910615539 786908317 /nfs/dbraw/zinc/90/83/17/786908317.db2.gz KSMJNDNIGCWKRD-NOEPWBJOSA-N -2 0 339.775 2.188 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(Cl)c(C)c1 ZINC000230146093 791526870 /nfs/dbraw/zinc/52/68/70/791526870.db2.gz ZODZWMLJTXHXAG-UHFFFAOYSA-N -2 0 330.749 2.444 20 0 EEADRL CCOC(=O)Cc1cccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001176236785 798390003 /nfs/dbraw/zinc/39/00/03/798390003.db2.gz AKMNFZAOEBWQSI-UHFFFAOYSA-N -2 0 344.323 2.327 20 0 EEADRL O=C(Cc1ccc([S-])cc1)Nc1nc[n-]c(=O)c1Br ZINC001183186343 801503493 /nfs/dbraw/zinc/50/34/93/801503493.db2.gz PHUBAJVJUQOONT-UHFFFAOYSA-N -2 0 340.202 2.415 20 0 EEADRL COc1ccc(S(=O)(=O)Nc2ccc([S-])cc2)cc1C(=O)[O-] ZINC001185307571 802452771 /nfs/dbraw/zinc/45/27/71/802452771.db2.gz TVOFLXMDPYKLSA-UHFFFAOYSA-N -2 0 339.394 2.483 20 0 EEADRL O=P([O-])([O-])OCCNc1cc2nc(Cl)cnc2cc1Cl ZINC001157787504 810349163 /nfs/dbraw/zinc/34/91/63/810349163.db2.gz KWZJAEFRVPNGBG-UHFFFAOYSA-N -2 0 338.087 2.458 20 0 EEADRL O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1c([O-])cc(F)cc1F ZINC001594962188 955022080 /nfs/dbraw/zinc/02/20/80/955022080.db2.gz AEQXXOHCCMVRDV-HNNXBMFYSA-N -2 0 333.290 2.495 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1OC ZINC000386796139 972081360 /nfs/dbraw/zinc/08/13/60/972081360.db2.gz MUUBSQYCWBPCAS-UHFFFAOYSA-N -2 0 343.382 2.264 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2ncccc2C(=O)[O-])c(F)cc1F ZINC001594330332 958211412 /nfs/dbraw/zinc/21/14/12/958211412.db2.gz DZZNFHCSWUMAEL-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000391525018 972343836 /nfs/dbraw/zinc/34/38/36/972343836.db2.gz UVCSLUFNNGXNFX-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)NC3(CC(=O)[O-])CCC3)n2)c1 ZINC001594366523 958494246 /nfs/dbraw/zinc/49/42/46/958494246.db2.gz OZTVHNMASNSNSY-UHFFFAOYSA-N -2 0 347.346 2.153 20 0 EEADRL O=C([O-])C1(CNC(=O)c2cc(Br)cc(F)c2[O-])CCC1 ZINC001605757069 972419044 /nfs/dbraw/zinc/41/90/44/972419044.db2.gz PWDOVMVRTJQMSE-UHFFFAOYSA-N -2 0 346.152 2.279 20 0 EEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccnc(Cl)c1 ZINC000318095336 970409657 /nfs/dbraw/zinc/40/96/57/970409657.db2.gz QBDFZZUIRIEEDC-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)c1C ZINC001595028769 979153115 /nfs/dbraw/zinc/15/31/15/979153115.db2.gz PSYHKZIVTZPIED-VIFPVBQESA-N -2 0 338.389 2.057 20 0 EEADRL CCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC001595631192 981834174 /nfs/dbraw/zinc/83/41/74/981834174.db2.gz GVMBKCJDYOJNMR-JTQLQIEISA-N -2 0 327.402 2.324 20 0 EEADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc(Oc2ccccc2)cc1 ZINC001589490743 987056198 /nfs/dbraw/zinc/05/61/98/987056198.db2.gz FJTVEKRIKYHFMA-NSHDSACASA-N -2 0 349.364 2.012 20 0 EEADRL CCSCc1cccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001597267572 987304273 /nfs/dbraw/zinc/30/42/73/987304273.db2.gz MXWQUDRCKSZBPS-UHFFFAOYSA-N -2 0 342.398 2.427 20 0 EEADRL CCc1ccc(S(=O)(=O)[N-]c2cnc(C(=O)[O-])cn2)cc1CC ZINC001597562433 988308327 /nfs/dbraw/zinc/30/83/27/988308327.db2.gz ZEDLDOXGDUHTJI-UHFFFAOYSA-N -2 0 335.385 2.100 20 0 EEADRL C[C@@]1(C(=O)[O-])CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C1 ZINC001593776318 996476892 /nfs/dbraw/zinc/47/68/92/996476892.db2.gz JWQRIMUGMMYXHI-QGZVFWFLSA-N -2 0 347.346 2.044 20 0 EEADRL CO[C@@H]1CCC[C@@H]([C@H](NC(=O)c2c([O-])cc(F)cc2F)C(=O)[O-])C1 ZINC001599109306 997537139 /nfs/dbraw/zinc/53/71/39/997537139.db2.gz QITDNZNWZMEUTP-PWZJLYFZSA-N -2 0 343.326 2.059 20 0 EEADRL CCC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000263464910 160465505 /nfs/dbraw/zinc/46/55/05/160465505.db2.gz FVSNHNHAUROGST-QMMMGPOBSA-N -2 0 327.736 2.150 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc2n[nH]cc2cc1C ZINC000343845644 161173519 /nfs/dbraw/zinc/17/35/19/161173519.db2.gz YDEINEDIOGWQMA-UHFFFAOYSA-N -2 0 335.341 2.272 20 0 EEADRL Cc1cccc(O)c1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000346414052 161370588 /nfs/dbraw/zinc/37/05/88/161370588.db2.gz USFIJLLEJQSLEH-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c2ccccc21 ZINC000360501917 164325046 /nfs/dbraw/zinc/32/50/46/164325046.db2.gz ZXMQZRYTKRRTRZ-SNVBAGLBSA-N -2 0 333.365 2.403 20 0 EEADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2O)cc1 ZINC000433844354 314799039 /nfs/dbraw/zinc/79/90/39/314799039.db2.gz YZQRRJWEJNQDMZ-UHFFFAOYSA-N -2 0 339.344 2.349 20 0 EEADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)Nc2c(F)cc(F)cc2F)c1 ZINC000436993836 315021502 /nfs/dbraw/zinc/02/15/02/315021502.db2.gz HTPMVDXWCPBMMB-UHFFFAOYSA-N -2 0 347.270 2.309 20 0 EEADRL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000547572333 318300518 /nfs/dbraw/zinc/30/05/18/318300518.db2.gz RSDMBDOTLYJGKF-QMMMGPOBSA-N -2 0 339.335 2.416 20 0 EEADRL COCCc1ccccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000336866427 465060071 /nfs/dbraw/zinc/06/00/71/465060071.db2.gz WLSOWHFHSYOVFN-UHFFFAOYSA-N -2 0 341.410 2.436 20 0 EEADRL Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c(C(=O)[O-])c1 ZINC000067124056 462967294 /nfs/dbraw/zinc/96/72/94/462967294.db2.gz PTDFLTNYFDAGOX-UHFFFAOYSA-N -2 0 335.337 2.192 20 0 EEADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc(C(=O)[O-])s1 ZINC000237257281 464293207 /nfs/dbraw/zinc/29/32/07/464293207.db2.gz PQNLRLIYBFTHRN-UHFFFAOYSA-N -2 0 349.393 2.017 20 0 EEADRL O=C([O-])c1csc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2F)c1 ZINC000362301097 465641798 /nfs/dbraw/zinc/64/17/98/465641798.db2.gz XZSVHTSWEWAUDB-UHFFFAOYSA-N -2 0 345.329 2.084 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)oc32)ccc1C(=O)[O-] ZINC000357345070 465967197 /nfs/dbraw/zinc/96/71/97/465967197.db2.gz XDENEXBBGXBOQJ-UHFFFAOYSA-N -2 0 348.336 2.341 20 0 EEADRL Cc1ccc(O)c(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1 ZINC000340329652 465994384 /nfs/dbraw/zinc/99/43/84/465994384.db2.gz SFIDPAWHWLJTLY-UHFFFAOYSA-N -2 0 326.312 2.011 20 0 EEADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000340329318 465995225 /nfs/dbraw/zinc/99/52/25/465995225.db2.gz LXKVWOGXLOGFAO-UHFFFAOYSA-N -3 0 341.366 2.254 20 0 EEADRL CCc1nc(C)c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)s1 ZINC000489044318 468117659 /nfs/dbraw/zinc/11/76/59/468117659.db2.gz RHAAQGUTQFCFPD-UHFFFAOYSA-N -2 0 340.426 2.442 20 0 EEADRL O=C([O-])CCCCCNC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000519562560 468172788 /nfs/dbraw/zinc/17/27/88/468172788.db2.gz ZDLVZLHBJRFGFX-UHFFFAOYSA-N -2 0 335.335 2.092 20 0 EEADRL C[C@H]1CN(C(=O)N=c2nc(-c3ccccc3)[n-]s2)CC[C@@H]1C(=O)[O-] ZINC000630558349 469898912 /nfs/dbraw/zinc/89/89/12/469898912.db2.gz LKZGOWPZDLOODK-JQWIXIFHSA-N -2 0 346.412 2.202 20 0 EEADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)n[nH]1 ZINC000675549456 486014453 /nfs/dbraw/zinc/01/44/53/486014453.db2.gz LNXGOZZFAJOOHA-UHFFFAOYSA-N -2 0 341.364 2.345 20 0 EEADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2O)c1F ZINC000751203054 577749210 /nfs/dbraw/zinc/74/92/10/577749210.db2.gz OPVCIAKCUFPXFU-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL O=C([O-])CCc1ccc(NC(=O)C[C@@]2(C(=O)[O-])CCSC2)cc1 ZINC000739755978 578066737 /nfs/dbraw/zinc/06/67/37/578066737.db2.gz IJEREDWAKAMWTB-INIZCTEOSA-N -2 0 337.397 2.240 20 0 EEADRL CC(C)(C)CCCC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736250144 578190162 /nfs/dbraw/zinc/19/01/62/578190162.db2.gz FKKPHXBNTHEISU-UHFFFAOYSA-N -2 0 333.431 2.468 20 0 EEADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1C(=O)[O-] ZINC000738828471 578213531 /nfs/dbraw/zinc/21/35/31/578213531.db2.gz XURXJBRWQCUOME-UHFFFAOYSA-N -2 0 349.290 2.236 20 0 EEADRL CC[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)C(C)C ZINC000736892226 578228408 /nfs/dbraw/zinc/22/84/08/578228408.db2.gz LHTVNPAKTOJZLZ-ZDUSSCGKSA-N -2 0 341.429 2.403 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1Cl ZINC000020593397 599734360 /nfs/dbraw/zinc/73/43/60/599734360.db2.gz NNAIVZSNKSYQSW-UHFFFAOYSA-N -2 0 331.733 2.441 20 0 EEADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)c1 ZINC000036981672 600052816 /nfs/dbraw/zinc/05/28/16/600052816.db2.gz COEUPUCCYPQHDO-UHFFFAOYSA-N -2 0 330.362 2.019 20 0 EEADRL Cc1cccc2sc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)nc21 ZINC000832973976 600975448 /nfs/dbraw/zinc/97/54/48/600975448.db2.gz IUKWAVZLYVBMKX-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2n[nH]c3ccc(F)cc32)cc1 ZINC000833324480 601202469 /nfs/dbraw/zinc/20/24/69/601202469.db2.gz SDFZIDQQDIUEKC-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1 ZINC000830104859 601232570 /nfs/dbraw/zinc/23/25/70/601232570.db2.gz WZPQLPCJUZMUKS-UHFFFAOYSA-N -2 0 325.342 2.486 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1C(=O)[O-] ZINC000832898146 601234056 /nfs/dbraw/zinc/23/40/56/601234056.db2.gz CGNZQNYFSPTDBM-UHFFFAOYSA-N -3 0 339.325 2.094 20 0 EEADRL CCOc1cccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000830104901 601836880 /nfs/dbraw/zinc/83/68/80/601836880.db2.gz YWCXAWMGGNAOFV-UHFFFAOYSA-N -2 0 328.371 2.041 20 0 EEADRL CCCCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)[nH]n1 ZINC000829430747 602103132 /nfs/dbraw/zinc/10/31/32/602103132.db2.gz NQIZLQQJSGSMRU-UHFFFAOYSA-N -2 0 327.362 2.153 20 0 EEADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)cc1O ZINC000833318446 602202116 /nfs/dbraw/zinc/20/21/16/602202116.db2.gz PFNYLVPAKGFIIO-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL O=C([O-])c1ccc(NC(=O)C[C@@]2(C(=O)[O-])CCSC2)cc1F ZINC000833095518 602299182 /nfs/dbraw/zinc/29/91/82/602299182.db2.gz PGGTUTPUZNOJAV-AWEZNQCLSA-N -2 0 327.333 2.060 20 0 EEADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1cc(F)ccc1O ZINC000833345230 602308496 /nfs/dbraw/zinc/30/84/96/602308496.db2.gz SZLCUHDDDWYUMO-UHFFFAOYSA-N -2 0 346.723 2.079 20 0 EEADRL Cc1cc(F)ccc1S(=O)(=O)[N-]c1nc(CCC(=O)[O-])cs1 ZINC000832889493 604623052 /nfs/dbraw/zinc/62/30/52/604623052.db2.gz LYPJDXVXEJFAPL-UHFFFAOYSA-N -2 0 344.389 2.409 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC[C@@H]2CC(=O)[O-])n1 ZINC000830269787 604665669 /nfs/dbraw/zinc/66/56/69/604665669.db2.gz HNWFAYOHFNPNAR-CYBMUJFWSA-N -2 0 343.383 2.220 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)c(C(=O)[O-])c1 ZINC000833751016 605188798 /nfs/dbraw/zinc/18/87/98/605188798.db2.gz MHMCTNJGZMFILY-UHFFFAOYSA-N -2 0 333.369 2.161 20 0 EEADRL C[C@@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833610946 605486300 /nfs/dbraw/zinc/48/63/00/605486300.db2.gz YZBHARMWXQHPII-SCZZXKLOSA-N -2 0 345.804 2.279 20 0 EEADRL CC(C)(C)c1nc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])no1 ZINC000833451074 605585233 /nfs/dbraw/zinc/58/52/33/605585233.db2.gz PBGWMJJMFCPCRJ-UHFFFAOYSA-N -2 0 343.336 2.005 20 0 EEADRL C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000318474599 681831465 /nfs/dbraw/zinc/83/14/65/681831465.db2.gz UQSPIHPLLJBBDJ-YFKPBYRVSA-N -2 0 347.261 2.282 20 0 EEADRL CC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)n1 ZINC001185879211 1278846293 /nfs/dbraw/zinc/84/62/93/1278846293.db2.gz KEQGUFMPMVLFMM-UHFFFAOYSA-N -2 0 334.353 2.092 20 0 EEADRL O=C(Nc1cnc2ccccc2n1)c1ccccc1OP(=O)([O-])[O-] ZINC001189872572 1280530638 /nfs/dbraw/zinc/53/06/38/1280530638.db2.gz WBBRODWRGKRXHS-UHFFFAOYSA-N -2 0 345.251 2.354 20 0 EEADRL CCCc1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)on1 ZINC001192106961 1281801350 /nfs/dbraw/zinc/80/13/50/1281801350.db2.gz SCEYTWNHCMUIAF-UHFFFAOYSA-N -2 0 338.385 2.445 20 0 EEADRL Cc1cc(C)nc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC001195184870 1283471267 /nfs/dbraw/zinc/47/12/67/1283471267.db2.gz GHFXWSBAJFXPCH-UHFFFAOYSA-N -2 0 342.323 2.476 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc(-c2ccncc2)no1 ZINC001198740336 1285312233 /nfs/dbraw/zinc/31/22/33/1285312233.db2.gz FNBXVNVAXYTAJP-UHFFFAOYSA-N -2 0 345.336 2.236 20 0 EEADRL COc1cc(Cl)nc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001198747119 1285316859 /nfs/dbraw/zinc/31/68/59/1285316859.db2.gz RTPOXLYDFZOEEH-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL COC(=O)[C@@H]1CCC[C@@H](Oc2ccc(OP(=O)([O-])[O-])cc2)C1 ZINC001234333503 1304880098 /nfs/dbraw/zinc/88/00/98/1304880098.db2.gz WPCCVXQWJXIPGU-ZWNOBZJWSA-N -2 0 330.273 2.269 20 0 EEADRL CCOC(=O)c1cnc(C)nc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242159381 1309622386 /nfs/dbraw/zinc/62/23/86/1309622386.db2.gz IWWMTYAOXYUDHI-UHFFFAOYSA-N -2 0 330.296 2.025 20 0 EEADRL O=C([O-])c1cccnc1-n1[n-]c(-c2ccc3c(c2)OCCO3)cc1=O ZINC001245943697 1310194008 /nfs/dbraw/zinc/19/40/08/1310194008.db2.gz IQINSSJPYOMUDW-UHFFFAOYSA-N -2 0 339.307 2.109 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccnc2)c(F)cc1Cl ZINC001259212243 1319487602 /nfs/dbraw/zinc/48/76/02/1319487602.db2.gz JSUXATVLSQIMFO-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc3c2C(=O)CC3)c1 ZINC001260189851 1319821431 /nfs/dbraw/zinc/82/14/31/1319821431.db2.gz KKCKAYCORKSZFC-UHFFFAOYSA-N -2 0 331.349 2.315 20 0 EEADRL CC(C)c1cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)on1 ZINC001260393303 1319882993 /nfs/dbraw/zinc/88/29/93/1319882993.db2.gz ULYKKQRLYLXARQ-UHFFFAOYSA-N -2 0 326.330 2.003 20 0 EEADRL O=C([O-])c1ccc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)cn1 ZINC001210177158 1325192690 /nfs/dbraw/zinc/19/26/90/1325192690.db2.gz KSDMQJVVFKEHTN-UHFFFAOYSA-N -2 0 328.733 2.424 20 0 EEADRL O=C([O-])c1c(Cl)cccc1NC(=O)C(=O)[N-]OC1CCCCC1 ZINC001608484888 1351702398 /nfs/dbraw/zinc/70/23/98/1351702398.db2.gz TTXMNVZOZYDYLG-UHFFFAOYSA-N -2 0 340.763 2.357 20 0 EEADRL O=C([O-])c1ccc(Cn2[n-]c(=O)c(Cl)c(Cl)c2=O)c(F)c1 ZINC001602362017 1350504044 /nfs/dbraw/zinc/50/40/44/1350504044.db2.gz KKCNPLOBXOOSCJ-UHFFFAOYSA-N -2 0 333.102 2.141 20 0 EEADRL CCCCC[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])C(C)C ZINC001605254354 1351117323 /nfs/dbraw/zinc/11/73/23/1351117323.db2.gz YSQXMLBUQZJJLI-LBPRGKRZSA-N -2 0 335.466 2.396 20 0 EEADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1c(C)cccc1O ZINC001607143462 1351437367 /nfs/dbraw/zinc/43/73/67/1351437367.db2.gz WUMMETJVCJLUCP-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL O=C([O-])[C@H]1CC(F)(F)CN1C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC001608819134 1351771348 /nfs/dbraw/zinc/77/13/48/1351771348.db2.gz PIJFLYXSEOUHTA-MRVPVSSYSA-N -2 0 328.296 2.051 20 0 EEADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1nccc2ccncc21 ZINC001608897032 1351789572 /nfs/dbraw/zinc/78/95/72/1351789572.db2.gz CWCJFAJTJMGZQY-UHFFFAOYSA-N -2 0 347.327 2.268 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nc3ccccc3s2)cn1 ZINC001608913964 1351792759 /nfs/dbraw/zinc/79/27/59/1351792759.db2.gz PSPPHEJSESNIAV-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL O=C([O-])c1nscc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)F ZINC001609005462 1351812577 /nfs/dbraw/zinc/81/25/77/1351812577.db2.gz QEKUCFNFBJZJBE-SECBINFHSA-N -2 0 348.352 2.126 20 0 EEADRL C[C@H](O[C@@H](C)C(=O)Nc1cc2ccccc2cc1C(=O)[O-])C(=O)[O-] ZINC001609801186 1352088715 /nfs/dbraw/zinc/08/87/15/1352088715.db2.gz WOFGCPQTBLPYNV-UWVGGRQHSA-N -2 0 331.324 2.355 20 0 EEADRL CCC[C@@H](C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C)C(C)C ZINC001609951272 1352127529 /nfs/dbraw/zinc/12/75/29/1352127529.db2.gz QDCXMDPYLISWNR-SNVBAGLBSA-N -2 0 331.390 2.163 20 0 EEADRL COC(=O)c1ccc([N-]S(=O)(=O)c2ccsc2)cc1C(=O)[O-] ZINC001610215313 1352187758 /nfs/dbraw/zinc/18/77/58/1352187758.db2.gz AQPFTGRETCOPPG-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL COc1cc(C(=O)[O-])ccc1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001610287435 1352200320 /nfs/dbraw/zinc/20/03/20/1352200320.db2.gz RYRDWRFTQOQCMY-UHFFFAOYSA-N -2 0 338.319 2.487 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2ccc3[nH]nc(C(=O)[O-])c3c2)c(C)o1 ZINC001610477999 1352229448 /nfs/dbraw/zinc/22/94/48/1352229448.db2.gz FIUDQFWWIJEZQW-UHFFFAOYSA-N -2 0 335.341 2.272 20 0 EEADRL Cc1nc([N-]S(=O)(=O)Cc2c(F)cccc2F)sc1C(=O)[O-] ZINC001610558578 1352244436 /nfs/dbraw/zinc/24/44/36/1352244436.db2.gz OOFHJOPUEDDOCO-UHFFFAOYSA-N -2 0 348.352 2.370 20 0 EEADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2noc(C3CC3)n2)c1 ZINC001610832870 1352282290 /nfs/dbraw/zinc/28/22/90/1352282290.db2.gz ZPUWQZHYFADRSV-UHFFFAOYSA-N -2 0 343.748 2.099 20 0 EEADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccnn2C2CC2)c1F ZINC001600115135 1349973715 /nfs/dbraw/zinc/97/37/15/1349973715.db2.gz KTIDFVBCGXYIHI-UHFFFAOYSA-N -2 0 339.348 2.165 20 0 EEADRL Cc1ccc(CS(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)cc1F ZINC001600421873 1350047162 /nfs/dbraw/zinc/04/71/62/1350047162.db2.gz JGTDTTKDEMOHLG-UHFFFAOYSA-N -2 0 344.389 2.160 20 0 EEADRL Cc1cccc(S(=O)(=O)NCCCCCCC(=O)[O-])c1C(=O)[O-] ZINC001600549660 1350079868 /nfs/dbraw/zinc/07/98/68/1350079868.db2.gz SVENDNTVBJZBBS-UHFFFAOYSA-N -2 0 343.401 2.007 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2cnn(C3CCC3)c2)c1C(=O)[O-] ZINC001600551061 1350080613 /nfs/dbraw/zinc/08/06/13/1350080613.db2.gz PEDZWJLBMFDJMU-UHFFFAOYSA-N -2 0 335.385 2.416 20 0 EEADRL Cc1coc(CC(=O)[O-])c1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001600643579 1350106694 /nfs/dbraw/zinc/10/66/94/1350106694.db2.gz UUTIKBNJRSCJID-UHFFFAOYSA-N -2 0 341.323 2.359 20 0 EEADRL O=C([O-])[C@@H]1[C@H](CNC(=O)c2cccc(C(F)(F)F)c2[O-])C1(F)F ZINC001601528972 1350301117 /nfs/dbraw/zinc/30/11/17/1350301117.db2.gz GZLRRPPPGNPTJQ-YUMQZZPRSA-N -2 0 339.216 2.107 20 0 EEADRL O=C([O-])CC1(NC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CCC1 ZINC001601927226 1350398606 /nfs/dbraw/zinc/39/86/06/1350398606.db2.gz BJGNLAAVUJABGY-UHFFFAOYSA-N -2 0 331.328 2.385 20 0 EEADRL O=C([O-])CCCO[N-]C(=O)CSCC(=O)c1ccc(Cl)cc1 ZINC001601995284 1350413321 /nfs/dbraw/zinc/41/33/21/1350413321.db2.gz OCBPNNIWJXOCKY-UHFFFAOYSA-N -2 0 345.804 2.169 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2noc3c2CCCC3)c(F)c1 ZINC001602402897 1350510847 /nfs/dbraw/zinc/51/08/47/1350510847.db2.gz VNOHEPBXTDNWPX-UHFFFAOYSA-N -2 0 340.332 2.192 20 0 EEADRL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H](C(F)F)C1CCCCC1 ZINC001602488055 1350530574 /nfs/dbraw/zinc/53/05/74/1350530574.db2.gz BHNMRMRBKIJTAR-SNVBAGLBSA-N -2 0 337.344 2.470 20 0 EEADRL CC1=C(C)C[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC001604614408 1350970378 /nfs/dbraw/zinc/97/03/78/1350970378.db2.gz FXGIPMDCRJPJRI-LBPRGKRZSA-N -2 0 337.397 2.326 20 0 EEADRL CCC(=O)c1cccc([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)c1 ZINC001604865534 1351022431 /nfs/dbraw/zinc/02/24/31/1351022431.db2.gz YGZMNXHYXYKXMP-UHFFFAOYSA-N -2 0 348.380 2.482 20 0 EEADRL CCC[C@H](C)C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)C(=O)[O-] ZINC001605205697 1351102769 /nfs/dbraw/zinc/10/27/69/1351102769.db2.gz AXDQNWGIDWRHCX-WCBMZHEXSA-N -2 0 349.430 2.004 20 0 EEADRL CCCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cn1 ZINC001605286690 1351125094 /nfs/dbraw/zinc/12/50/94/1351125094.db2.gz GPTSRCLKEKUFEW-UHFFFAOYSA-N -2 0 340.357 2.353 20 0 EEADRL CCCc1csc([N-]S(=O)(=O)c2csnc2C(=O)[O-])n1 ZINC001605378464 1351148838 /nfs/dbraw/zinc/14/88/38/1351148838.db2.gz FVLMBAXKEZFLAR-UHFFFAOYSA-N -2 0 333.416 2.051 20 0 EEADRL CCc1nc(CNCc2ccccc2OCC(=O)[O-])ccc1C(=O)[O-] ZINC001605850091 1351236096 /nfs/dbraw/zinc/23/60/96/1351236096.db2.gz ABCUGVKINUSKAK-UHFFFAOYSA-N -2 0 344.367 2.095 20 0 EEADRL COCc1cc([N-]S(=O)(=O)c2ccc(C)o2)cc(C(=O)[O-])c1 ZINC001606951925 1351382858 /nfs/dbraw/zinc/38/28/58/1351382858.db2.gz BOFTYJCTSSRILB-UHFFFAOYSA-N -2 0 325.342 2.233 20 0 EEADRL Cc1cc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)sc1C ZINC001607580438 1351519320 /nfs/dbraw/zinc/51/93/20/1351519320.db2.gz YIQDGYVOOUKEGV-UHFFFAOYSA-N -2 0 343.382 2.083 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2C)sc1Cl ZINC001607708051 1351543340 /nfs/dbraw/zinc/54/33/40/1351543340.db2.gz RDOQMSYFUYOUJW-UHFFFAOYSA-N -2 0 349.821 2.100 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c(N(C)C)n1 ZINC001607810853 1351563459 /nfs/dbraw/zinc/56/34/59/1351563459.db2.gz SEHXGPZAWZGSDH-UHFFFAOYSA-N -2 0 341.414 2.017 20 0 EEADRL Cc1nc([N-]S(=O)(=O)Cc2ccc(F)cc2F)sc1C(=O)[O-] ZINC001607966536 1351594718 /nfs/dbraw/zinc/59/47/18/1351594718.db2.gz SJNWZVIBFHKKSS-UHFFFAOYSA-N -2 0 348.352 2.370 20 0 EEADRL Cc1nonc1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC001608030285 1351609979 /nfs/dbraw/zinc/60/99/79/1351609979.db2.gz MDTVXGBCWDVJHD-UHFFFAOYSA-N -2 0 339.354 2.092 20 0 EEADRL N#Cc1ccsc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000037464908 1352396235 /nfs/dbraw/zinc/39/62/35/1352396235.db2.gz QGLKEZVWMUYRLY-UHFFFAOYSA-N -2 0 326.330 2.258 20 0 EEADRL CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)CC2CC2)c(O)c1 ZINC001188975946 1368329876 /nfs/dbraw/zinc/32/98/76/1368329876.db2.gz ALUCZRKHWQLHCG-UHFFFAOYSA-N -2 0 327.402 2.499 20 0 EEADRL CCOC(=O)c1cnc(NC(=O)c2c([O-])c(F)c(F)c(F)c2F)[n-]1 ZINC001195278702 1368513836 /nfs/dbraw/zinc/51/38/36/1368513836.db2.gz MJRNISQTGCKURK-UHFFFAOYSA-N -2 0 347.224 2.101 20 0 EEADRL COCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000323672800 780801873 /nfs/dbraw/zinc/80/18/73/780801873.db2.gz FQGQNOBFBWSCGH-UHFFFAOYSA-N -2 0 339.344 2.471 20 0 EEADRL O=C([O-])[C@H]1CCCCCN1S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000906787973 784159384 /nfs/dbraw/zinc/15/93/84/784159384.db2.gz HMGJEJIDZMFSMN-SNVBAGLBSA-N -2 0 333.793 2.064 20 0 EEADRL CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2CC)nn1C ZINC000817352707 784691709 /nfs/dbraw/zinc/69/17/09/784691709.db2.gz KYYZMQOHJPAXCZ-UHFFFAOYSA-N -2 0 337.401 2.044 20 0 EEADRL O=C([O-])[C@H]1CCCCCN1C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000910043801 786415656 /nfs/dbraw/zinc/41/56/56/786415656.db2.gz HBUMAOAVVNHCMG-CYBMUJFWSA-N -2 0 347.346 2.186 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCc1ccccc1Cl ZINC000910185718 786517773 /nfs/dbraw/zinc/51/77/73/786517773.db2.gz KIDYILXNTREAPY-WCQYABFASA-N -2 0 339.775 2.049 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCc2cccc(Cl)c2)C1 ZINC000910187851 786520517 /nfs/dbraw/zinc/52/05/17/786520517.db2.gz HCMZNUHQMUPIHK-AAEUAGOBSA-N -2 0 339.775 2.049 20 0 EEADRL O=C([O-])[C@@H](C[C@H]1CCCOC1)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000910235579 786558424 /nfs/dbraw/zinc/55/84/24/786558424.db2.gz IWUORUJSPXQFRU-BXKDBHETSA-N -2 0 327.764 2.045 20 0 EEADRL O=C([O-])c1cc(Nc2ccc(N3CCOCC3)nc2)cc(C(=O)[O-])c1 ZINC001176236411 798390196 /nfs/dbraw/zinc/39/01/96/798390196.db2.gz MAHPKHXQRASTTP-UHFFFAOYSA-N -2 0 343.339 2.058 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)(F)F ZINC001465108414 804099608 /nfs/dbraw/zinc/09/96/08/804099608.db2.gz RNZXEXCXJVRVNA-VWYCJHECSA-N -2 0 337.319 2.073 20 0 EEADRL O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1s[n-]c(=O)c1Cl ZINC001601869212 971087623 /nfs/dbraw/zinc/08/76/23/971087623.db2.gz BDBIFZLBNOPCEJ-SNVBAGLBSA-N -2 0 338.772 2.326 20 0 EEADRL CC(=O)c1cc(F)c([O-])c(NC(=O)C2(C(=O)[O-])CCSCC2)c1 ZINC001602771689 971501068 /nfs/dbraw/zinc/50/10/68/971501068.db2.gz MXRAXSZTUYHBHA-UHFFFAOYSA-N -2 0 341.360 2.270 20 0 EEADRL CCC(CC)(CNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)C(=O)[O-] ZINC001589500351 955029324 /nfs/dbraw/zinc/02/93/24/955029324.db2.gz LBQOCVICFYLPHU-UHFFFAOYSA-N -2 0 349.412 2.245 20 0 EEADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)NC(C)(C)C(=O)[O-])n2)cc1 ZINC001603100487 972176148 /nfs/dbraw/zinc/17/61/48/972176148.db2.gz LKHAMOGIHOKTPH-UHFFFAOYSA-N -2 0 331.372 2.294 20 0 EEADRL COC(=O)c1sccc1S(=O)(=O)[N-]c1ccsc1C(=O)[O-] ZINC000035306519 957204594 /nfs/dbraw/zinc/20/45/94/957204594.db2.gz ALNURAUHZBBBNR-UHFFFAOYSA-N -2 0 347.395 2.095 20 0 EEADRL Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])n1 ZINC000040975632 957382768 /nfs/dbraw/zinc/38/27/68/957382768.db2.gz TVQWLJCMQLVZEA-UHFFFAOYSA-N -2 0 340.788 2.471 20 0 EEADRL CC(C)n1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)n1 ZINC000392001768 972398217 /nfs/dbraw/zinc/39/82/17/972398217.db2.gz ZPLXLPVMOMFJRM-YVMONPNESA-N -2 0 335.385 2.363 20 0 EEADRL O=Cc1ccc(-c2ccc(C(=O)N(CC(=O)[O-])CC3CC3)c([O-])c2)o1 ZINC000874967979 969403340 /nfs/dbraw/zinc/40/33/40/969403340.db2.gz POUCRHJFYAWDCE-UHFFFAOYSA-N -2 0 343.335 2.402 20 0 EEADRL CC(C)c1nc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])c(F)c2)c[nH]1 ZINC001592030258 976734261 /nfs/dbraw/zinc/73/42/61/976734261.db2.gz GYBGQLDUAOMKDE-UHFFFAOYSA-N -2 0 341.364 2.100 20 0 EEADRL C[C@H]1CC(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C[C@H](C)C1 ZINC000833594565 979207389 /nfs/dbraw/zinc/20/73/89/979207389.db2.gz OFQCKWLVGGXVQQ-GHMZBOCLSA-N -2 0 339.413 2.262 20 0 EEADRL C[C@@H](Cc1ccc(NC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1)C(=O)[O-] ZINC001592871093 979722509 /nfs/dbraw/zinc/72/25/09/979722509.db2.gz AWXLDXXIBFOYGS-VHRBIJSZSA-N -2 0 334.372 2.325 20 0 EEADRL CCCC[C@](C)(F)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001595630593 981823183 /nfs/dbraw/zinc/82/31/83/981823183.db2.gz KUBZFMRHUMXYPZ-ZDUSSCGKSA-N -2 0 335.353 2.010 20 0 EEADRL CCCC[C@H]([N-]S(=O)(=O)c1onc(C2CC2)c1Cl)C(=O)[O-] ZINC001595642143 981970067 /nfs/dbraw/zinc/97/00/67/981970067.db2.gz IIDOGXVOXDAHHI-QMMMGPOBSA-N -2 0 336.797 2.127 20 0 EEADRL CCCCc1cc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)[nH]n1 ZINC001595793772 982596165 /nfs/dbraw/zinc/59/61/65/982596165.db2.gz MGGAUKDLGBPYLT-UHFFFAOYSA-N -2 0 327.362 2.153 20 0 EEADRL CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cnc(C(=O)[O-])cn2)cc1 ZINC001595014622 982954962 /nfs/dbraw/zinc/95/49/62/982954962.db2.gz WLMUKNWFEQMFAK-SNVBAGLBSA-N -2 0 335.385 2.489 20 0 EEADRL CCOCc1cccc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)c1 ZINC001596949487 986102970 /nfs/dbraw/zinc/10/29/70/986102970.db2.gz HNEKKGRFZHCQJV-UHFFFAOYSA-N -2 0 336.369 2.117 20 0 EEADRL C[C@H](C(=O)N(CCC(=O)[O-])CC(=O)[O-])c1ccc2ccccc2c1 ZINC001589342119 986263869 /nfs/dbraw/zinc/26/38/69/986263869.db2.gz UROOQZXTOZHWKJ-LBPRGKRZSA-N -2 0 329.352 2.331 20 0 EEADRL CSc1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1N ZINC001599826801 988610629 /nfs/dbraw/zinc/61/06/29/988610629.db2.gz ZXYXYNBCHNEFNP-UHFFFAOYSA-N -2 0 338.410 2.490 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])sc2C)nc1C ZINC001597898161 989764909 /nfs/dbraw/zinc/76/49/09/989764909.db2.gz JGQNRFVCXZGNOF-UHFFFAOYSA-N -2 0 329.403 2.080 20 0 EEADRL CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)nn1 ZINC001590493727 990098112 /nfs/dbraw/zinc/09/81/12/990098112.db2.gz OILBIRWQVYHXGP-UHFFFAOYSA-N -2 0 349.412 2.202 20 0 EEADRL CN(C(=O)c1cc(F)c([O-])c(F)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001598077939 990385216 /nfs/dbraw/zinc/38/52/16/990385216.db2.gz UZCXHUYSNIYFCS-UHFFFAOYSA-N -2 0 337.278 2.410 20 0 EEADRL COc1cccc([C@H](NC(=O)c2cc(F)cc(F)c2[O-])C(=O)[O-])c1 ZINC001599687362 991008292 /nfs/dbraw/zinc/00/82/92/991008292.db2.gz WVXHHOLMTLHATI-ZDUSSCGKSA-N -2 0 337.278 2.235 20 0 EEADRL CC(C)[C@]1(C(=O)[O-])C[C@@H]1C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001591057467 991467260 /nfs/dbraw/zinc/46/72/60/991467260.db2.gz FRJGDRSXKQIPNB-ANRSDYALSA-N -2 0 327.283 2.348 20 0 EEADRL CC(C)C[C@@H](CNC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)C(=O)[O-] ZINC001591149211 991889022 /nfs/dbraw/zinc/88/90/22/991889022.db2.gz KCHRDMYEAFKIHI-DZGCQCFKSA-N -2 0 348.399 2.127 20 0 EEADRL C[C@H](NC(=O)c1ccc(C(=O)[O-])s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593159877 993989201 /nfs/dbraw/zinc/98/92/01/993989201.db2.gz QPEBWDBUIKDXQC-XHNCKOQMSA-N -2 0 325.386 2.312 20 0 EEADRL C[C@@](O)(C(=O)[O-])c1cccc(-c2ccccc2[C@H](O)CC(=O)[O-])c1 ZINC001593376058 995086348 /nfs/dbraw/zinc/08/63/48/995086348.db2.gz SPQKJJNQFJMUKM-QAPCUYQASA-N -2 0 330.336 2.154 20 0 EEADRL CO[C@@H]1CCC[C@H]([C@@H](NC(=O)c2c([O-])cc(F)cc2F)C(=O)[O-])C1 ZINC001599109304 997536773 /nfs/dbraw/zinc/53/67/73/997536773.db2.gz QITDNZNWZMEUTP-LLHLLMPMSA-N -2 0 343.326 2.059 20 0 EEADRL COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001599421435 997602083 /nfs/dbraw/zinc/60/20/83/997602083.db2.gz ZKPALSPRZBPURH-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL COC(=O)c1cc(NC(=O)CC2(CC(=O)[O-])CCC2)cc(C(=O)[O-])c1 ZINC001598938205 997910380 /nfs/dbraw/zinc/91/03/80/997910380.db2.gz PVMTZQJLAXQZAW-UHFFFAOYSA-N -2 0 349.339 2.145 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c(C)c(OC)c1 ZINC001599444908 997992031 /nfs/dbraw/zinc/99/20/31/997992031.db2.gz LVJPDSVZIJDXSM-UHFFFAOYSA-N -2 0 341.341 2.104 20 0 EEADRL COc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001599371676 998420516 /nfs/dbraw/zinc/42/05/16/998420516.db2.gz UJOAYAOPHBQKJT-JTQLQIEISA-N -2 0 336.344 2.112 20 0 EEADRL COCCc1ccccc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001599264090 998438553 /nfs/dbraw/zinc/43/85/53/998438553.db2.gz DTAYSLLOQKYHFX-UHFFFAOYSA-N -2 0 339.369 2.276 20 0 EEADRL COc1cc(C(=O)[O-])ccc1NC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC001599373426 998447830 /nfs/dbraw/zinc/44/78/30/998447830.db2.gz NJHKTEYXTCZIFL-LLVKDONJSA-N -2 0 338.360 2.262 20 0 EEADRL C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001594162570 998608682 /nfs/dbraw/zinc/60/86/82/998608682.db2.gz QXOWVUULRTZOGS-JOYOIKCWSA-N -2 0 349.774 2.167 20 0 EEADRL CO[C@H](C(=O)[N-]OCCCC(=O)[O-])c1ccccc1Br ZINC001599028200 999031404 /nfs/dbraw/zinc/03/14/04/999031404.db2.gz KIZZJQPCHSSHBE-LBPRGKRZSA-N -2 0 346.177 2.049 20 0 EEADRL C[C@@H]1CCC[C@]1(C)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001594357085 999350122 /nfs/dbraw/zinc/35/01/22/999350122.db2.gz IVHSLEIJPVKGGU-OQPBUACISA-N -2 0 331.415 2.078 20 0 EEADRL Cc1cc(C(=O)Nc2nc(C(C)C)co2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001449905429 1105034900 /nfs/dbraw/zinc/03/49/00/1105034900.db2.gz SVZLGIZCHQOUJN-UHFFFAOYSA-N -2 0 329.316 2.108 20 0 EEADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)C[C@@H](CC)OC ZINC000421159840 314056862 /nfs/dbraw/zinc/05/68/62/314056862.db2.gz UQKPZRHEZKIJLD-GFCCVEGCSA-N -2 0 345.417 2.340 20 0 EEADRL O=C([O-])[C@@H](CC1CCC1)[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000530367531 317715852 /nfs/dbraw/zinc/71/58/52/317715852.db2.gz DRYPLSLTDQTXPQ-LLVKDONJSA-N -2 0 337.319 2.026 20 0 EEADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc3nccnc3c2)c1 ZINC000336851484 465051273 /nfs/dbraw/zinc/05/12/73/465051273.db2.gz SUPNCPIAQNKCGM-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(-c2ccccc2)n1 ZINC000072758582 463541009 /nfs/dbraw/zinc/54/10/09/463541009.db2.gz YQCUYXVENKPBTE-UHFFFAOYSA-N -2 0 347.352 2.273 20 0 EEADRL COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000338222215 465915110 /nfs/dbraw/zinc/91/51/10/465915110.db2.gz YOZIEQPUGQOXQC-UHFFFAOYSA-N -2 0 349.364 2.281 20 0 EEADRL Cc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)ccc1C(=O)[O-] ZINC000349944473 466320014 /nfs/dbraw/zinc/32/00/14/466320014.db2.gz GYCGNELYIGIQAT-UHFFFAOYSA-N -2 0 335.337 2.192 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c(O)c1 ZINC000314440454 466550078 /nfs/dbraw/zinc/55/00/78/466550078.db2.gz HWNPJMBWKIQKML-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL CCc1ccc(S(=O)(=O)[N-]c2cccnc2OC)cc1C(=O)[O-] ZINC000322968771 466634831 /nfs/dbraw/zinc/63/48/31/466634831.db2.gz XVOKJGFOFTWKKM-UHFFFAOYSA-N -2 0 336.369 2.152 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2cc[nH]n2)c1 ZINC000325090439 466653878 /nfs/dbraw/zinc/65/38/78/466653878.db2.gz KYTYBOOIDRRLSA-UHFFFAOYSA-N -2 0 347.352 2.477 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cn3c(n2)CCCC3)cccc1C(=O)[O-] ZINC000378610037 467353674 /nfs/dbraw/zinc/35/36/74/467353674.db2.gz QRUVXDIHXDQGAH-UHFFFAOYSA-N -2 0 335.385 2.027 20 0 EEADRL O=C([O-])CN(C(=O)c1nn(-c2ccccc2)cc1[O-])c1ccccc1 ZINC000548832805 468144821 /nfs/dbraw/zinc/14/48/21/468144821.db2.gz APEUAIQMZUJPBY-UHFFFAOYSA-N -2 0 337.335 2.309 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C2CC2)n(C)n1 ZINC000571132764 468742746 /nfs/dbraw/zinc/74/27/46/468742746.db2.gz OSRDQGWOEADEFE-UHFFFAOYSA-N -2 0 335.385 2.105 20 0 EEADRL COc1cc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c(F)c1 ZINC000588627371 469147347 /nfs/dbraw/zinc/14/73/47/469147347.db2.gz TYQMWACFOFCXNV-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](NC(=O)N=c2nc(-c3ccccc3)[n-]s2)C1 ZINC000647693749 470960737 /nfs/dbraw/zinc/96/07/37/470960737.db2.gz GULAIVLHPNPJGJ-MNOVXSKESA-N -2 0 332.385 2.002 20 0 EEADRL CC(C)[C@H](CNC(=O)N=c1ccc(-c2ccccc2)n[n-]1)C(=O)[O-] ZINC000653540956 471657891 /nfs/dbraw/zinc/65/78/91/471657891.db2.gz ZSSDCHUZJLNCPH-ZDUSSCGKSA-N -2 0 328.372 2.044 20 0 EEADRL COc1ccccc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000751142792 577748550 /nfs/dbraw/zinc/74/85/50/577748550.db2.gz QHFJJECMEFYNPG-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL CCc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000754760697 577812292 /nfs/dbraw/zinc/81/22/92/577812292.db2.gz QTVGPBUEQQAMHD-UHFFFAOYSA-N -2 0 342.348 2.492 20 0 EEADRL Cc1ccccc1-n1nccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000738755594 578025810 /nfs/dbraw/zinc/02/58/10/578025810.db2.gz YWDOQVJVQKWZFW-UHFFFAOYSA-N -2 0 347.352 2.273 20 0 EEADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)n1 ZINC000739919624 578073420 /nfs/dbraw/zinc/07/34/20/578073420.db2.gz COGXLWPYTWJNRI-SOFGYWHQSA-N -2 0 341.776 2.034 20 0 EEADRL C[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736561465 578211380 /nfs/dbraw/zinc/21/13/80/578211380.db2.gz HYUQNJQKUOAXQW-SECBINFHSA-N -2 0 345.442 2.468 20 0 EEADRL O=C([O-])Cc1csc([N-]S(=O)(=O)c2cccc(Cl)c2)n1 ZINC000034955816 600050938 /nfs/dbraw/zinc/05/09/38/600050938.db2.gz CVQWDOASSNCXMB-UHFFFAOYSA-N -2 0 332.790 2.224 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)cnc1Cl ZINC000185568322 600298868 /nfs/dbraw/zinc/29/88/68/600298868.db2.gz LGZMIMYQWCNEPT-UHFFFAOYSA-N -2 0 340.788 2.471 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n(-c2ccccc2)n1 ZINC000832898477 600974873 /nfs/dbraw/zinc/97/48/73/600974873.db2.gz MEIRXOFEZUDHKK-UHFFFAOYSA-N -2 0 346.368 2.008 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)cc1C(=O)[O-] ZINC000832918130 601231174 /nfs/dbraw/zinc/23/11/74/601231174.db2.gz AETRXPAZBLLLJJ-UHFFFAOYSA-N -3 0 339.325 2.094 20 0 EEADRL O=C([O-])[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000833183842 601235085 /nfs/dbraw/zinc/23/50/85/601235085.db2.gz KVTKTOHHJLCODQ-UWVGGRQHSA-N -2 0 345.804 2.036 20 0 EEADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000833346414 601604248 /nfs/dbraw/zinc/60/42/48/601604248.db2.gz JVPHDNAQBJFKFS-UHFFFAOYSA-N -2 0 336.753 2.435 20 0 EEADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)C[C@H](C)C(=O)[O-])n2)c1 ZINC000827442149 601756463 /nfs/dbraw/zinc/75/64/63/601756463.db2.gz BKYJNRYVCVPBGI-LBPRGKRZSA-N -2 0 345.399 2.494 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])cn1 ZINC000833733257 605168708 /nfs/dbraw/zinc/16/87/08/605168708.db2.gz JUVBMZTZHMONLE-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL C[C@@]1(C(=O)[O-])CCCN1C(=O)c1cc(Br)ccc1O ZINC000235421179 679833078 /nfs/dbraw/zinc/83/30/78/679833078.db2.gz FFKNZPBNYUBPRY-ZDUSSCGKSA-N -2 0 328.162 2.234 20 0 EEADRL O=C([O-])[C@H](NC(=O)c1cc(O)c2ccccc2c1)[C@@H]1CCCOC1 ZINC000909535299 685261232 /nfs/dbraw/zinc/26/12/32/685261232.db2.gz KRUQAUVNKHSBOW-MLGOLLRUSA-N -2 0 329.352 2.155 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1F ZINC000319555973 682050103 /nfs/dbraw/zinc/05/01/03/682050103.db2.gz FCWTTYFYWQDYTN-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n[nH]1 ZINC000322448047 692060119 /nfs/dbraw/zinc/06/01/19/692060119.db2.gz CPFIDSSGEXFVEW-UHFFFAOYSA-N -2 0 341.364 2.345 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nccnc1C(C)C ZINC001185878684 1278846556 /nfs/dbraw/zinc/84/65/56/1278846556.db2.gz ARJRHGNIPMKBNT-UHFFFAOYSA-N -2 0 335.385 2.407 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cn(CC2CCC2)cn1 ZINC001185880008 1278847970 /nfs/dbraw/zinc/84/79/70/1278847970.db2.gz YLIJDEZIQWWNCI-UHFFFAOYSA-N -2 0 349.412 2.491 20 0 EEADRL CC(C)(C)[C@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2c[nH]cn2)cc1 ZINC001187762591 1279645920 /nfs/dbraw/zinc/64/59/20/1279645920.db2.gz QKGGRXUBCZJNTI-ZDUSSCGKSA-N -2 0 337.401 2.425 20 0 EEADRL O=C(NCCOP(=O)([O-])[O-])Nc1cc(Cl)ccc1Cl ZINC001189007581 1280101552 /nfs/dbraw/zinc/10/15/52/1280101552.db2.gz VRAZEAWJNORMQZ-UHFFFAOYSA-N -2 0 329.076 2.224 20 0 EEADRL CC(=O)c1cccnc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192106678 1281800979 /nfs/dbraw/zinc/80/09/79/1281800979.db2.gz NROXGJLBAWKUKE-UHFFFAOYSA-N -2 0 348.380 2.102 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnnc2)c(Cl)cc1Cl ZINC001192402711 1281974100 /nfs/dbraw/zinc/97/41/00/1281974100.db2.gz VHCUEEAAUCZIRW-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL O=C([N-]c1noc2nccnc12)c1c([O-])c(F)c(F)c(F)c1F ZINC001195280105 1283510624 /nfs/dbraw/zinc/51/06/24/1283510624.db2.gz YFXQKTSQEMZAAZ-UHFFFAOYSA-N -2 0 328.181 2.132 20 0 EEADRL COC(=O)c1ccc(N)cc1S(=O)(=O)[N-]c1cccc([S-])c1 ZINC001210948568 1295593889 /nfs/dbraw/zinc/59/38/89/1295593889.db2.gz WNOPDHNPPMNMMS-UHFFFAOYSA-N -2 0 338.410 2.145 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccn(CC(F)(F)F)c(=O)c2)c1 ZINC001242163937 1309625128 /nfs/dbraw/zinc/62/51/28/1309625128.db2.gz SRKPLYFAHBZNNN-UHFFFAOYSA-N -2 0 341.241 2.474 20 0 EEADRL Cn1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)nc2ccccc21 ZINC001260209308 1319832718 /nfs/dbraw/zinc/83/27/18/1319832718.db2.gz WWKQGFICLCLBBH-UHFFFAOYSA-N -2 0 349.343 2.211 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc3cnoc3c2)c1 ZINC001260215923 1319833700 /nfs/dbraw/zinc/83/37/00/1319833700.db2.gz HPPOZAWVAQKOLA-UHFFFAOYSA-N -2 0 336.300 2.466 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc(C3CC3)s2)ccc1O ZINC001260393280 1319883468 /nfs/dbraw/zinc/88/34/68/1319883468.db2.gz FBTMSPKGWTZKGX-UHFFFAOYSA-N -2 0 340.382 2.225 20 0 EEADRL O=C([O-])C[C@H](Cc1ccccc1)NC(=O)c1s[n-]c(=O)c1Cl ZINC001602114340 1350442174 /nfs/dbraw/zinc/44/21/74/1350442174.db2.gz XCNXRGUGTBCRAO-VIFPVBQESA-N -2 0 340.788 2.318 20 0 EEADRL O=C([O-])c1ccc(O)cc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC001602389349 1350508660 /nfs/dbraw/zinc/50/86/60/1350508660.db2.gz XABGFMXHPMMNOJ-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001608040392 1351611883 /nfs/dbraw/zinc/61/18/83/1351611883.db2.gz KFVNHQDEUADDOU-SNVBAGLBSA-N -2 0 341.385 2.062 20 0 EEADRL O=C([O-])Cc1cccc(NC(=O)c2cc(F)c(F)c([O-])c2F)n1 ZINC001608786424 1351763132 /nfs/dbraw/zinc/76/31/32/1351763132.db2.gz DXNPCGJKLKPRDF-UHFFFAOYSA-N -2 0 326.230 2.084 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1nc(C(F)(F)F)c[nH]1 ZINC001610441520 1352222911 /nfs/dbraw/zinc/22/29/11/1352222911.db2.gz FVRJSKYKQANTCT-UHFFFAOYSA-N -2 0 349.290 2.236 20 0 EEADRL Cc1c(NC(=O)CCC(=O)[O-])ccc(Br)c1C(=O)[O-] ZINC001610419660 1352219624 /nfs/dbraw/zinc/21/96/24/1352219624.db2.gz NXDIYWHTJLFWNV-UHFFFAOYSA-N -2 0 330.134 2.259 20 0 EEADRL O=C([O-])C[C@@H]1CSCCN1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC001610765128 1352270838 /nfs/dbraw/zinc/27/08/38/1352270838.db2.gz HYEMQNRYEIPIPZ-MRVPVSSYSA-N -2 0 333.768 2.217 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cnn1C1CCCC1 ZINC001600055174 1349962548 /nfs/dbraw/zinc/96/25/48/1349962548.db2.gz ZAASDLDYLMWVRU-UHFFFAOYSA-N -2 0 339.373 2.399 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cnc(C(=O)[O-])cn2)c(Cl)cc1F ZINC001600301309 1350014481 /nfs/dbraw/zinc/01/44/81/1350014481.db2.gz BKLBPJJDIDQZCS-UHFFFAOYSA-N -2 0 345.739 2.077 20 0 EEADRL Cc1ccc(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c(Cl)c1C ZINC001600342288 1350024627 /nfs/dbraw/zinc/02/46/27/1350024627.db2.gz NNXPGGODCQOJPN-UHFFFAOYSA-N -2 0 347.820 2.127 20 0 EEADRL Cc1csc(C(=O)[O-])c1[N-]S(=O)(=O)c1cnn(CC2CC2)c1 ZINC001600648651 1350107347 /nfs/dbraw/zinc/10/73/47/1350107347.db2.gz BHLLGCJRVIYBEV-UHFFFAOYSA-N -2 0 341.414 2.162 20 0 EEADRL O=C([O-])c1c(F)ccc(NC(=O)C[C@]2(C(=O)[O-])CCSC2)c1F ZINC001601243382 1350240122 /nfs/dbraw/zinc/24/01/22/1350240122.db2.gz FDDKJSAGZXYSOZ-CQSZACIVSA-N -2 0 345.323 2.200 20 0 EEADRL O=C([O-])C1(CS(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)CCC1 ZINC001601711832 1350345273 /nfs/dbraw/zinc/34/52/73/1350345273.db2.gz ARRAOCKDXQDSPO-NSHDSACASA-N -2 0 333.356 2.167 20 0 EEADRL O=C([O-])C1(c2ccc(S(=O)(=O)[N-]c3cc(C4CC4)[nH]n3)cc2)CC1 ZINC001601726785 1350348725 /nfs/dbraw/zinc/34/87/25/1350348725.db2.gz DOHYKISIHPOVAN-UHFFFAOYSA-N -2 0 347.396 2.204 20 0 EEADRL O=C([O-])[C@@H]1CN(C(=O)c2cc(F)cc(F)c2[O-])Cc2ccccc21 ZINC001601846079 1350379654 /nfs/dbraw/zinc/37/96/54/1350379654.db2.gz VZFGMBAQLYCKMT-CYBMUJFWSA-N -2 0 333.290 2.495 20 0 EEADRL O=C([O-])CCSc1ncccc1[N-]C(=O)c1nnc(C2CC2)o1 ZINC001602033623 1350422512 /nfs/dbraw/zinc/42/25/12/1350422512.db2.gz BAOIBYJQXMISLP-UHFFFAOYSA-N -2 0 334.357 2.161 20 0 EEADRL O=C([O-])CCc1csc(NC(=O)c2cc(F)cc(F)c2[O-])n1 ZINC001602047856 1350426669 /nfs/dbraw/zinc/42/66/69/1350426669.db2.gz ZOILUOGNRSRYHZ-UHFFFAOYSA-N -2 0 328.296 2.396 20 0 EEADRL O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C1 ZINC001602112868 1350441575 /nfs/dbraw/zinc/44/15/75/1350441575.db2.gz NUHQXDYIYUOKLC-PWSUYJOCSA-N -2 0 347.346 2.090 20 0 EEADRL O=C([O-])Cn1ncc2ccc(NC(=O)c3cccc(F)c3[O-])cc21 ZINC001602169350 1350456385 /nfs/dbraw/zinc/45/63/85/1350456385.db2.gz WXXSUDINGYSTHP-UHFFFAOYSA-N -2 0 329.287 2.218 20 0 EEADRL O=C([O-])c1ccc(CNC(=O)c2ccc3oc(=S)[n-]c3c2)nc1 ZINC001602342716 1350499360 /nfs/dbraw/zinc/49/93/60/1350499360.db2.gz RRBROMKMOBKRAB-UHFFFAOYSA-N -2 0 329.337 2.140 20 0 EEADRL O=C([O-])c1ccc2c(c1)OCCN(C(=O)c1cc(F)c([O-])c(F)c1)C2 ZINC001602423845 1350516202 /nfs/dbraw/zinc/51/62/02/1350516202.db2.gz KVKDBTWAVLKCQC-UHFFFAOYSA-N -2 0 349.289 2.403 20 0 EEADRL CC(C)(C)C(F)(F)C[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001603307728 1350684586 /nfs/dbraw/zinc/68/45/86/1350684586.db2.gz RNYHUNSCJMYLHI-UHFFFAOYSA-N -2 0 335.372 2.486 20 0 EEADRL C[C@]1(C(=O)[O-])CCN(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C1 ZINC001604499121 1350949598 /nfs/dbraw/zinc/94/95/98/1350949598.db2.gz QIQAGKYUZXVTAU-INIZCTEOSA-N -2 0 331.328 2.195 20 0 EEADRL CCC(=CC(=O)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1)CC ZINC001604852972 1351019586 /nfs/dbraw/zinc/01/95/86/1351019586.db2.gz WWJXJKLCYSUDCZ-UHFFFAOYSA-N -2 0 343.376 2.004 20 0 EEADRL COc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1c[nH]c2ncccc12 ZINC001607140353 1351437004 /nfs/dbraw/zinc/43/70/04/1351437004.db2.gz AWKFWBSYHDJDSZ-UHFFFAOYSA-N -2 0 347.352 2.071 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)nnc1C ZINC001607696726 1351541512 /nfs/dbraw/zinc/54/15/12/1351541512.db2.gz DDFDBSVBLDTHGG-UHFFFAOYSA-N -2 0 341.776 2.246 20 0 EEADRL O=S(=O)(Nc1cc(Br)ccc1O)C1CCOCC1 ZINC000094573799 1357701511 /nfs/dbraw/zinc/70/15/11/1357701511.db2.gz MMVIHUNHNZVKDJ-UHFFFAOYSA-N -2 0 336.207 2.075 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1 ZINC000918062496 768877086 /nfs/dbraw/zinc/87/70/86/768877086.db2.gz WJUKMCWUNKJHJA-UHFFFAOYSA-N -3 0 339.300 2.023 20 0 EEADRL C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000318474597 778110075 /nfs/dbraw/zinc/11/00/75/778110075.db2.gz UQSPIHPLLJBBDJ-RXMQYKEDSA-N -2 0 347.261 2.282 20 0 EEADRL Cc1cc(Cl)ccc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910181883 786514438 /nfs/dbraw/zinc/51/44/38/786514438.db2.gz DVOJHBZADLZMKX-CABZTGNLSA-N -2 0 325.748 2.038 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)/C=C/c2ccc(Cl)s2)C1 ZINC000910183268 786515840 /nfs/dbraw/zinc/51/58/40/786515840.db2.gz MMALQUMNYFACCF-RWCXLWIKSA-N -2 0 343.788 2.191 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2ccc(C(F)F)cc2)C1 ZINC000910186257 786518810 /nfs/dbraw/zinc/51/88/10/786518810.db2.gz PDEIMXQLFOPQIV-GHMZBOCLSA-N -2 0 327.283 2.014 20 0 EEADRL O=C(Nc1cccc2c1OCCC2)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148926136 792815083 /nfs/dbraw/zinc/81/50/83/792815083.db2.gz FSGULWADUVHEJV-UHFFFAOYSA-N -2 0 349.364 2.216 20 0 EEADRL CC(C)(C)CC=Nc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-] ZINC001175570674 798164284 /nfs/dbraw/zinc/16/42/84/798164284.db2.gz AECUGDRDQLKOOU-VOTSOKGWSA-N -2 0 335.403 2.152 20 0 EEADRL COC(=O)NC(=S)N(c1cncc(C(=O)[O-])c1)c1ccccc1N ZINC001175846413 798245887 /nfs/dbraw/zinc/24/58/87/798245887.db2.gz CFPWCVSMDCTLEL-UHFFFAOYSA-N -2 0 346.368 2.141 20 0 EEADRL Cn1ncc(Br)c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176236278 798389513 /nfs/dbraw/zinc/38/95/13/798389513.db2.gz KYLGFPVZOVOJQZ-UHFFFAOYSA-N -2 0 340.133 2.323 20 0 EEADRL COCCCN(c1cc(C(=O)[O-])cc(C(=O)[O-])c1)c1ncccc1N ZINC001176237029 798389910 /nfs/dbraw/zinc/38/99/10/798389910.db2.gz SQFDZLAZHQTHES-UHFFFAOYSA-N -2 0 345.355 2.235 20 0 EEADRL COC(=O)/C=C/c1cccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001176240146 798391035 /nfs/dbraw/zinc/39/10/35/798391035.db2.gz VCPUYBFVIXBFCI-AATRIKPKSA-N -2 0 342.307 2.408 20 0 EEADRL COc1ccc(NCCO)cc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176241838 798392340 /nfs/dbraw/zinc/39/23/40/798392340.db2.gz AMDOPMDDDSMIMS-UHFFFAOYSA-N -2 0 346.339 2.239 20 0 EEADRL COC(=O)c1cc(O)cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176244638 798393103 /nfs/dbraw/zinc/39/31/03/798393103.db2.gz NHLVHYOUOOIMFQ-UHFFFAOYSA-N -2 0 331.280 2.319 20 0 EEADRL CC(C)(C)OC(=O)c1cc(NC(=O)Cc2ccccc2C(=O)[O-])[nH]n1 ZINC001602915608 971866982 /nfs/dbraw/zinc/86/69/82/971866982.db2.gz GWOJTNFNTKWMNS-UHFFFAOYSA-N -2 0 345.355 2.244 20 0 EEADRL C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cccc(Br)c1[O-] ZINC001589303001 953705095 /nfs/dbraw/zinc/70/50/95/953705095.db2.gz NLCLWKNPEQSBAY-IUCAKERBSA-N -2 0 342.189 2.480 20 0 EEADRL CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC001589206614 956669316 /nfs/dbraw/zinc/66/93/16/956669316.db2.gz FWEREFFOIWZQKF-UHFFFAOYSA-N -2 0 345.355 2.105 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cn1 ZINC000128273885 958652890 /nfs/dbraw/zinc/65/28/90/958652890.db2.gz GIBGECIATBLDJT-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])c1ncsc1S(=O)(=O)NCc1ccc(Cl)s1 ZINC000134713733 958856670 /nfs/dbraw/zinc/85/66/70/958856670.db2.gz BCDZLCRUYBKTAL-UHFFFAOYSA-N -2 0 338.819 2.035 20 0 EEADRL C[C@@H]1CCC[C@@H](CCNS(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000134713543 958856788 /nfs/dbraw/zinc/85/67/88/958856788.db2.gz VZZJXUPTHDDIFS-ZJUUUORDSA-N -2 0 332.447 2.336 20 0 EEADRL O=C([O-])[C@@H](C(=O)Nc1nccc(Br)c1[O-])C1CCCC1 ZINC001574620906 962244795 /nfs/dbraw/zinc/24/47/95/962244795.db2.gz IJGKUVFPAYLRFK-SECBINFHSA-N -2 0 343.177 2.379 20 0 EEADRL O=C([O-])c1sccc1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000317274877 970344168 /nfs/dbraw/zinc/34/41/68/970344168.db2.gz OGLFJUBEGBKEFR-UHFFFAOYSA-N -2 0 346.317 2.294 20 0 EEADRL Cc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c(C)c1O ZINC000319656237 970558331 /nfs/dbraw/zinc/55/83/31/970558331.db2.gz RZMWHBYBWWMMPA-UHFFFAOYSA-N -2 0 337.353 2.214 20 0 EEADRL O=C([O-])COc1cccc([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000321311448 970759976 /nfs/dbraw/zinc/75/99/76/970759976.db2.gz OQDWQMZIINOICL-UHFFFAOYSA-N -2 0 343.307 2.229 20 0 EEADRL O=C([O-])C1(C(=O)[N-]OCc2ccc(F)cc2Br)CCC1 ZINC001605935536 972875696 /nfs/dbraw/zinc/87/56/96/972875696.db2.gz NDDMIZZLMLMCCE-UHFFFAOYSA-N -2 0 346.152 2.391 20 0 EEADRL O=C([O-])c1ccccc1CNC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC001606523363 974029316 /nfs/dbraw/zinc/02/93/16/974029316.db2.gz MQWXYTOITAYNHI-UHFFFAOYSA-N -2 0 337.335 2.206 20 0 EEADRL CCC(CC)[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001595105147 979419571 /nfs/dbraw/zinc/41/95/71/979419571.db2.gz BEHITPIPCGAUBN-MRVPVSSYSA-N -2 0 331.390 2.163 20 0 EEADRL CC[C@](C)([N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)C(F)(F)F ZINC001594852979 982104533 /nfs/dbraw/zinc/10/45/33/982104533.db2.gz BISGCBVJAWJIED-JTQLQIEISA-N -2 0 329.296 2.296 20 0 EEADRL CC[C@H](C)[C@H]([N-]S(=O)(=O)CC1(CC(=O)[O-])CC1)C(F)(F)F ZINC001594921466 982469691 /nfs/dbraw/zinc/46/96/91/982469691.db2.gz QCMSOODKAQMJES-WPRPVWTQSA-N -2 0 331.356 2.138 20 0 EEADRL CC[C@H](C)C[C@@H](NC(=O)c1ncc(Br)cc1[O-])C(=O)[O-] ZINC001594949526 982649808 /nfs/dbraw/zinc/64/98/08/982649808.db2.gz CQPHRFACTYKMJI-IONNQARKSA-N -2 0 345.193 2.169 20 0 EEADRL O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC001594963709 982716033 /nfs/dbraw/zinc/71/60/33/982716033.db2.gz VLXIBOBLBKAWFD-AWEZNQCLSA-N -2 0 333.290 2.495 20 0 EEADRL Cc1[nH]c(C([O-])=CS(=O)(=O)c2ccc(F)cc2)c(C)c1C(=O)[O-] ZINC001599947751 985557306 /nfs/dbraw/zinc/55/73/06/985557306.db2.gz OIJZNICIMXXZLJ-UHFFFAOYSA-N -2 0 339.344 2.125 20 0 EEADRL CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001589291107 986035420 /nfs/dbraw/zinc/03/54/20/986035420.db2.gz RMXDRQQLRMWCLX-UHFFFAOYSA-N -2 0 335.337 2.094 20 0 EEADRL CC(C)(C(=O)[O-])n1cc(NC(=O)c2ccc3oc(=S)[n-]c3c2)cn1 ZINC001589670162 987664271 /nfs/dbraw/zinc/66/42/71/987664271.db2.gz XCACOAHJZKJATB-UHFFFAOYSA-N -2 0 346.368 2.385 20 0 EEADRL CCc1cnc([N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)s1 ZINC001597632044 988601048 /nfs/dbraw/zinc/60/10/48/988601048.db2.gz MRBVAWDBBZOABA-UHFFFAOYSA-N -2 0 326.399 2.346 20 0 EEADRL C[C@H](NC(=O)c1ccc(/C=C/C(=O)[O-])o1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593161600 993993912 /nfs/dbraw/zinc/99/39/12/993993912.db2.gz FCDQBRYFHVBJQV-OGJUJBACSA-N -2 0 335.356 2.243 20 0 EEADRL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cccc(CC(=O)[O-])c1 ZINC001593713902 996225502 /nfs/dbraw/zinc/22/55/02/996225502.db2.gz QBBCYDYIOCLFQJ-GFCCVEGCSA-N -2 0 347.392 2.135 20 0 EEADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1sc(C)nc1C ZINC001599383765 996906033 /nfs/dbraw/zinc/90/60/33/996906033.db2.gz KZXDDYUXCBBSKH-UHFFFAOYSA-N -2 0 342.398 2.268 20 0 EEADRL CO[C@@H]1CCOc2c([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cccc21 ZINC001599127178 997873325 /nfs/dbraw/zinc/87/33/25/997873325.db2.gz GOEHRRMNUFWJBA-GFCCVEGCSA-N -2 0 343.401 2.009 20 0 EEADRL Cc1[n-]n(-c2cc(Br)ccc2F)c(=O)c1CC(=O)[O-] ZINC001594114766 998240467 /nfs/dbraw/zinc/24/04/67/998240467.db2.gz IGLAIWAAOAEZCX-MRVPVSSYSA-N -2 0 329.125 2.402 20 0 EEADRL C[C@@H]1CCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001594357773 999352608 /nfs/dbraw/zinc/35/26/08/999352608.db2.gz OTUKMUZXSTWDKV-GHMZBOCLSA-N -2 0 325.386 2.016 20 0 EEADRL Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000022154470 212280058 /nfs/dbraw/zinc/28/00/58/212280058.db2.gz HHRWYSJRDYHVJE-UHFFFAOYSA-N -2 0 328.777 2.486 20 0 EEADRL CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c1C ZINC000266086256 248087404 /nfs/dbraw/zinc/08/74/04/248087404.db2.gz OWDWYBXHODBVRS-UHFFFAOYSA-N -2 0 341.364 2.158 20 0 EEADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000013299853 255746704 /nfs/dbraw/zinc/74/67/04/255746704.db2.gz BGNAVZFOJQHZHU-UHFFFAOYSA-N -2 0 340.382 2.206 20 0 EEADRL Cc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1C(=O)[O-] ZINC000342286305 161053718 /nfs/dbraw/zinc/05/37/18/161053718.db2.gz SEAYHCRYFQVEGZ-UHFFFAOYSA-N -2 0 335.337 2.192 20 0 EEADRL CC(C)(C)c1ncc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cn1 ZINC000360861208 164392396 /nfs/dbraw/zinc/39/23/96/164392396.db2.gz RHYFLHGNRLJIDM-UHFFFAOYSA-N -2 0 349.412 2.202 20 0 EEADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)cc1 ZINC000361773931 164500528 /nfs/dbraw/zinc/50/05/28/164500528.db2.gz VIQLCJACLACKBB-UHFFFAOYSA-N -2 0 345.327 2.096 20 0 EEADRL CC(C)Oc1c([N-]S(=O)(=O)C[C@H]2CCCO2)cccc1C(=O)[O-] ZINC000282035475 292805410 /nfs/dbraw/zinc/80/54/10/292805410.db2.gz QLMLHODVWKHPIA-LLVKDONJSA-N -2 0 343.401 2.093 20 0 EEADRL CC[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000297122896 294157594 /nfs/dbraw/zinc/15/75/94/294157594.db2.gz GOMABGBGQQLLPC-ZETCQYMHSA-N -2 0 341.216 2.310 20 0 EEADRL CC(C)Cc1ncc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cn1 ZINC000527246842 317172923 /nfs/dbraw/zinc/17/29/23/317172923.db2.gz UQDRWNDKACGDGM-UHFFFAOYSA-N -2 0 341.414 2.236 20 0 EEADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1O ZINC000532092899 317841167 /nfs/dbraw/zinc/84/11/67/317841167.db2.gz GMJIMEMAIVLZQS-UHFFFAOYSA-N -2 0 331.346 2.400 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc2c1OCCO2 ZINC000547869875 318330982 /nfs/dbraw/zinc/33/09/82/318330982.db2.gz NNMIJBFGHZMHAV-UHFFFAOYSA-N -2 0 349.364 2.265 20 0 EEADRL O=C([O-])[C@@H](NC(=O)c1ccc2n[nH]nc2c1)c1ccc(Cl)c(F)c1 ZINC000181891395 323358969 /nfs/dbraw/zinc/35/89/69/323358969.db2.gz JSFCNRWDVPBWER-ZDUSSCGKSA-N -2 0 348.721 2.306 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000336864548 465058694 /nfs/dbraw/zinc/05/86/94/465058694.db2.gz HAERHDURSMXIKW-UHFFFAOYSA-N -2 0 339.300 2.023 20 0 EEADRL COC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000042792631 463597475 /nfs/dbraw/zinc/59/74/75/463597475.db2.gz JEYAMJZLCJMXRF-UHFFFAOYSA-N -2 0 349.364 2.281 20 0 EEADRL CC(C)(C)n1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cn1 ZINC000342972822 465426274 /nfs/dbraw/zinc/42/62/74/465426274.db2.gz SNTGEYSJWRBRHO-UHFFFAOYSA-N -2 0 329.403 2.199 20 0 EEADRL Cc1cccc(N(C)S(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC000339752049 465488821 /nfs/dbraw/zinc/48/88/21/465488821.db2.gz ILPDUUYCSPSKDQ-UHFFFAOYSA-N -2 0 349.364 2.217 20 0 EEADRL CC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)ccc1F ZINC000350484920 466511909 /nfs/dbraw/zinc/51/19/09/466511909.db2.gz XNBJGBSMPVGIAZ-UHFFFAOYSA-N -2 0 341.316 2.429 20 0 EEADRL COC(=O)[C@H](CS(=O)(=O)[N-]c1c(C)cccc1O)c1ccccc1 ZINC000582477473 468546391 /nfs/dbraw/zinc/54/63/91/468546391.db2.gz DJUPYGAEQCNUBF-CQSZACIVSA-N -2 0 349.408 2.399 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N(CC(=O)[O-])CC2CC2)n1 ZINC000653462039 471628819 /nfs/dbraw/zinc/62/88/19/471628819.db2.gz QCXRBOFHQQNOMZ-UHFFFAOYSA-N -2 0 343.383 2.077 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)cc(C(=O)[O-])c1C ZINC000675441021 485983610 /nfs/dbraw/zinc/98/36/10/485983610.db2.gz PEXYXNQREWEJQI-UHFFFAOYSA-N -2 0 347.396 2.470 20 0 EEADRL CSc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cn1 ZINC000738212775 578003388 /nfs/dbraw/zinc/00/33/88/578003388.db2.gz PHCCFUZOSKAOIH-UHFFFAOYSA-N -2 0 330.412 2.364 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2ccc(F)cc2F)sc1C(=O)[O-] ZINC000738363918 578010767 /nfs/dbraw/zinc/01/07/67/578010767.db2.gz PXGLAJIIUTXDQJ-UHFFFAOYSA-N -2 0 334.325 2.229 20 0 EEADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)cc2O)c1F ZINC000765103646 577495006 /nfs/dbraw/zinc/49/50/06/577495006.db2.gz ZJECYNCRUSRVBM-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2ccc(C)cc2F)sc1C(=O)[O-] ZINC000738660107 578023070 /nfs/dbraw/zinc/02/30/70/578023070.db2.gz HIBNPZMRGJHWHS-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)/C=C\C2CCCCC2)c1 ZINC000739211408 578044119 /nfs/dbraw/zinc/04/41/19/578044119.db2.gz YNOQUDFYTYYWSC-KTKRTIGZSA-N -2 0 337.397 2.326 20 0 EEADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Cl)nc1 ZINC000740145380 578082720 /nfs/dbraw/zinc/08/27/20/578082720.db2.gz QQZZFFBXTXAAQV-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000736196216 578186496 /nfs/dbraw/zinc/18/64/96/578186496.db2.gz KSISYUHEZJBLKQ-UHFFFAOYSA-N -2 0 333.365 2.317 20 0 EEADRL Cc1nc(S(=O)(=O)[N-]c2cc3ccccc3cc2C(=O)[O-])c[nH]1 ZINC000321559594 600095018 /nfs/dbraw/zinc/09/50/18/600095018.db2.gz BAXFOJYSCAGVHV-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)c1 ZINC000390391466 600246403 /nfs/dbraw/zinc/24/64/03/600246403.db2.gz DCQVYZIHQBXLBN-UHFFFAOYSA-N -2 0 349.393 2.433 20 0 EEADRL COC(=O)c1cc(NC(=O)CC(C)(C)CC(=O)[O-])ccc1C(=O)[O-] ZINC000831265129 600669601 /nfs/dbraw/zinc/66/96/01/600669601.db2.gz ZPNCKMSGLPGMTO-UHFFFAOYSA-N -2 0 337.328 2.001 20 0 EEADRL C[C@H](CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)[O-])C(=O)[O-] ZINC000827570412 601240897 /nfs/dbraw/zinc/24/08/97/601240897.db2.gz DDHTVQNCYBIPGV-SECBINFHSA-N -2 0 337.353 2.000 20 0 EEADRL O=C([O-])Cc1ccc(NC(=O)CSc2n[n-]c(=S)s2)cc1 ZINC000833265698 601274261 /nfs/dbraw/zinc/27/42/61/601274261.db2.gz DQZWSJIJUKLWFA-UHFFFAOYSA-N -2 0 341.439 2.185 20 0 EEADRL CCc1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)n1 ZINC000830299452 601359793 /nfs/dbraw/zinc/35/97/93/601359793.db2.gz QASVCFCCXWKMRK-UHFFFAOYSA-N -2 0 342.398 2.213 20 0 EEADRL COc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000832628792 601854548 /nfs/dbraw/zinc/85/45/48/601854548.db2.gz UQFQMEMGOYBGMJ-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL CCn1nc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)c1C ZINC000830440903 602114698 /nfs/dbraw/zinc/11/46/98/602114698.db2.gz KXZKXCCPIVISAG-UHFFFAOYSA-N -2 0 329.403 2.080 20 0 EEADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000833347330 602156639 /nfs/dbraw/zinc/15/66/39/602156639.db2.gz YTKGEAXCACUKHU-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL O=C([O-])c1csc(NC(=O)CSc2n[n-]c(=S)s2)c1 ZINC000833116344 604313748 /nfs/dbraw/zinc/31/37/48/604313748.db2.gz RJDDTYSITPUTJD-UHFFFAOYSA-N -2 0 333.441 2.317 20 0 EEADRL CC(C)c1csc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)n1 ZINC000833511495 604699216 /nfs/dbraw/zinc/69/92/16/604699216.db2.gz VPNBFZDASXUWRU-UHFFFAOYSA-N -2 0 327.387 2.161 20 0 EEADRL C/C(=C/C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)C1CC1 ZINC000833381808 605118094 /nfs/dbraw/zinc/11/80/94/605118094.db2.gz JMMSIRFQGXTPJO-VURMDHGXSA-N -2 0 343.788 2.199 20 0 EEADRL Cc1nnc(NNC(=O)c2cc(Cl)c3ccccc3c2[O-])[n-]c1=O ZINC000080001302 675452187 /nfs/dbraw/zinc/45/21/87/675452187.db2.gz OOASVFNPSYDMEN-UHFFFAOYSA-N -2 0 345.746 2.155 20 0 EEADRL CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC000863961829 1197938368 /nfs/dbraw/zinc/93/83/68/1197938368.db2.gz BLPSKENMUSQKEB-WBMJQRKESA-N -2 0 339.413 2.085 20 0 EEADRL CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000863962023 1197939105 /nfs/dbraw/zinc/93/91/05/1197939105.db2.gz DNCXRZVQGFXMBZ-STQMWFEESA-N -2 0 341.429 2.331 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ncnc2sccc21 ZINC001185870896 1278809467 /nfs/dbraw/zinc/80/94/67/1278809467.db2.gz HWGBMRSBRQELEK-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL CC(=O)c1cccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185875938 1278813000 /nfs/dbraw/zinc/81/30/00/1278813000.db2.gz GKYFYMJZAYHCNN-UHFFFAOYSA-N -2 0 334.353 2.092 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccn2ccnc12 ZINC001185876591 1278844826 /nfs/dbraw/zinc/84/48/26/1278844826.db2.gz WTJAQHHGEFRULD-UHFFFAOYSA-N -2 0 331.353 2.142 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nsc2ncccc12 ZINC001185877524 1278845126 /nfs/dbraw/zinc/84/51/26/1278845126.db2.gz MHHNSYBNFBSMEN-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1snc2cccnc21 ZINC001185879958 1278848699 /nfs/dbraw/zinc/84/86/99/1278848699.db2.gz WYAMRGGUMCMTEM-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)NC2=CC=C[CH]2)c1 ZINC001196059511 1283875192 /nfs/dbraw/zinc/87/51/92/1283875192.db2.gz DSMXTYSQXVWEQH-UHFFFAOYSA-N -2 0 343.178 2.084 20 0 EEADRL COc1c(Nc2nc[n-]c(=O)c2Br)cccc1C(=O)[O-] ZINC001211033957 1295641142 /nfs/dbraw/zinc/64/11/42/1295641142.db2.gz WGANWZVHZAFGIP-UHFFFAOYSA-N -2 0 340.133 2.395 20 0 EEADRL Cc1ccncc1-c1noc(-c2cc(S(=O)(=O)[O-])ccc2[O-])n1 ZINC001215454072 1296909313 /nfs/dbraw/zinc/90/93/13/1296909313.db2.gz GWFZNEDKWLWEKD-UHFFFAOYSA-N -2 0 333.325 2.059 20 0 EEADRL N#Cc1ccsc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000314563313 1298257462 /nfs/dbraw/zinc/25/74/62/1298257462.db2.gz XALVZAPDOUDHPN-UHFFFAOYSA-N -2 0 336.394 2.438 20 0 EEADRL O=P([O-])([O-])Oc1ccc(OC[C@@H]2COc3cscc3O2)cc1 ZINC001234337093 1304884940 /nfs/dbraw/zinc/88/49/40/1304884940.db2.gz XILWVBDWBALVMP-LLVKDONJSA-N -2 0 344.281 2.438 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccc([C@H]3CNC(=O)C3)c2)c1 ZINC001242161689 1309624027 /nfs/dbraw/zinc/62/40/27/1309624027.db2.gz IGLUBMQBESVWFZ-OAHLLOKOSA-N -2 0 325.320 2.354 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cncc(C(=O)N3CCCC3)c2)c1 ZINC001242163410 1309624305 /nfs/dbraw/zinc/62/43/05/1309624305.db2.gz XFSJXOZRRVDCFR-UHFFFAOYSA-N -2 0 340.335 2.381 20 0 EEADRL O=C([O-])CCc1ccc(-c2cccc3c2NC(=O)[N-]S3(=O)=O)cc1 ZINC001244190619 1309921199 /nfs/dbraw/zinc/92/11/99/1309921199.db2.gz HMZXLTZIZURKCM-UHFFFAOYSA-N -2 0 346.364 2.195 20 0 EEADRL COc1cccc(Cc2cc(=O)n(-c3ncccc3C(=O)[O-])[n-]2)c1 ZINC001245940360 1310192259 /nfs/dbraw/zinc/19/22/59/1310192259.db2.gz RBSBPRRSZQMAFO-UHFFFAOYSA-N -2 0 325.324 2.271 20 0 EEADRL Cc1cnn(CC2CC2)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260223219 1319836937 /nfs/dbraw/zinc/83/69/37/1319836937.db2.gz ISOBBCHXCDDCKF-UHFFFAOYSA-N -2 0 335.385 2.101 20 0 EEADRL O=C([O-])c1cc(-c2nnc(-c3ccccc3)o2)cc(S(=O)(=O)[O-])c1 ZINC001253130630 1317776924 /nfs/dbraw/zinc/77/69/24/1317776924.db2.gz FXWZLIICCDXIGI-UHFFFAOYSA-N -2 0 346.320 2.349 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc3nccnc23)c1 ZINC001260189890 1319821923 /nfs/dbraw/zinc/82/19/23/1319821923.db2.gz NLIDXZQOZIVVTO-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL COc1cc(CCNc2ccc(P(=O)([O-])[O-])cc2)cc(OC)c1 ZINC001163722964 1321202671 /nfs/dbraw/zinc/20/26/71/1321202671.db2.gz GAAJCXWBYOYSBY-UHFFFAOYSA-N -2 0 337.312 2.161 20 0 EEADRL O=C([O-])CCOc1ccc(NC(=O)c2cc(F)cc3n[nH]nc32)cc1 ZINC001608731333 1351751354 /nfs/dbraw/zinc/75/13/54/1351751354.db2.gz MUERSGACMFESJS-UHFFFAOYSA-N -2 0 344.302 2.203 20 0 EEADRL O=C([O-])CC[C@@H]1CC[C@H](C(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)O1 ZINC001608736642 1351752166 /nfs/dbraw/zinc/75/21/66/1351752166.db2.gz NKUHAGPBEFQSKP-NWDGAFQWSA-N -2 0 345.355 2.133 20 0 EEADRL O=C([O-])c1cccc(CS(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)c1 ZINC001608932516 1351797663 /nfs/dbraw/zinc/79/76/63/1351797663.db2.gz NIPHQNMTLALQQP-NSHDSACASA-N -2 0 337.319 2.145 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-][C@H](C2CCCC2)C(F)(F)F)c1 ZINC001608990919 1351809552 /nfs/dbraw/zinc/80/95/52/1351809552.db2.gz VUXZWPKSOYIAFS-SNVBAGLBSA-N -2 0 341.307 2.377 20 0 EEADRL O=C([O-])c1n[nH]c2ccc(NC(=O)[C@@H](C(=O)[O-])C3CCCC3)cc21 ZINC001608994024 1351810040 /nfs/dbraw/zinc/81/00/40/1351810040.db2.gz IHSJGCYWDWYXGA-LBPRGKRZSA-N -2 0 331.328 2.091 20 0 EEADRL CC(C)(C)Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n[nH]1 ZINC001609657611 1352052019 /nfs/dbraw/zinc/05/20/19/1352052019.db2.gz WSJGPXSTFGCRDE-UHFFFAOYSA-N -2 0 337.401 2.497 20 0 EEADRL CC(C)c1cccc(S(=O)(=O)[N-]C(=O)c2cncc(C(=O)[O-])c2)c1 ZINC001609720857 1352068277 /nfs/dbraw/zinc/06/82/77/1352068277.db2.gz QRBRBNYIYICZOZ-UHFFFAOYSA-N -2 0 348.380 2.022 20 0 EEADRL COc1cc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])cnc1Cl ZINC001610307948 1352203270 /nfs/dbraw/zinc/20/32/70/1352203270.db2.gz NBXANCZYBXZOHM-UHFFFAOYSA-N -2 0 348.789 2.304 20 0 EEADRL COc1cc(S(=O)(=O)[N-]c2nc3ccccc3[nH]2)ccc1C(=O)[O-] ZINC001610307585 1352203345 /nfs/dbraw/zinc/20/33/45/1352203345.db2.gz LDIOWJSQWIQFJZ-UHFFFAOYSA-N -2 0 347.352 2.071 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c(O)c1 ZINC001610343009 1352208443 /nfs/dbraw/zinc/20/84/43/1352208443.db2.gz GTDAIHVMLHMMHK-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL Cc1c(Cl)c(C(=O)[O-])sc1S(=O)(=O)[N-]c1cnn(C)c1C ZINC001610427418 1352220913 /nfs/dbraw/zinc/22/09/13/1352220913.db2.gz GDWCTQOHKREONC-UHFFFAOYSA-N -2 0 349.821 2.251 20 0 EEADRL O=C([O-])CCCC(=O)NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001610766969 1352271296 /nfs/dbraw/zinc/27/12/96/1352271296.db2.gz GKUJZVJLBKPVCN-MRXNPFEDSA-N -2 0 343.379 2.454 20 0 EEADRL Cc1c(C(=O)[O-])cc(CNC(=O)CC2(CC(=O)[O-])CCCC2)n1C ZINC001599991279 1349950825 /nfs/dbraw/zinc/95/08/25/1349950825.db2.gz OWLYJWAHYLXVOT-UHFFFAOYSA-N -2 0 336.388 2.073 20 0 EEADRL Cc1c(NC(=O)C[C@]2(C(=O)[O-])CCSC2)ccc(F)c1C(=O)[O-] ZINC001600032634 1349958473 /nfs/dbraw/zinc/95/84/73/1349958473.db2.gz DRYPHULXZLUBGF-OAHLLOKOSA-N -2 0 341.360 2.369 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cnn1-c1ccccc1 ZINC001600054592 1349962535 /nfs/dbraw/zinc/96/25/35/1349962535.db2.gz LFBCLXVRICMGDK-UHFFFAOYSA-N -2 0 347.352 2.273 20 0 EEADRL Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001600185282 1349987811 /nfs/dbraw/zinc/98/78/11/1349987811.db2.gz ICWJYQSMZOEIIU-UHFFFAOYSA-N -2 0 345.355 2.053 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)c2cccc(C)c2C)oc1C(=O)[O-] ZINC001600296335 1350013673 /nfs/dbraw/zinc/01/36/73/1350013673.db2.gz APRIWRMGSTYFTA-UHFFFAOYSA-N -2 0 337.353 2.022 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)ccc1C(=O)[O-] ZINC001600301608 1350015256 /nfs/dbraw/zinc/01/52/56/1350015256.db2.gz JYXHJBOTEWOZOW-UHFFFAOYSA-N -3 0 341.366 2.254 20 0 EEADRL Cc1cc2c(cc1[N-]S(=O)(=O)c1ccsc1C(=O)[O-])OCO2 ZINC001600307569 1350016559 /nfs/dbraw/zinc/01/65/59/1350016559.db2.gz QYHXKJRZGJKEBR-UHFFFAOYSA-N -2 0 341.366 2.284 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001600358790 1350029604 /nfs/dbraw/zinc/02/96/04/1350029604.db2.gz AFCRVOHAZCEFDC-QWHCGFSZSA-N -2 0 332.356 2.268 20 0 EEADRL Cc1ccc(CS(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC001600421577 1350047308 /nfs/dbraw/zinc/04/73/08/1350047308.db2.gz BEBYVMQCVQYYDC-UHFFFAOYSA-N -2 0 339.394 2.015 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cc(O)ccc2C)c1C(=O)[O-] ZINC001600467495 1350058858 /nfs/dbraw/zinc/05/88/58/1350058858.db2.gz WTQFBGPJLCCTAY-UHFFFAOYSA-N -2 0 325.342 2.409 20 0 EEADRL Cc1csc(NC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1C(=O)[O-] ZINC001600664277 1350112818 /nfs/dbraw/zinc/11/28/18/1350112818.db2.gz WNIGAIYBZXIQNS-CBAPKCEASA-N -2 0 326.374 2.329 20 0 EEADRL Cc1csc(S(=O)(=O)[N-]c2nnc(CCCC(=O)[O-])s2)c1 ZINC001600664712 1350112999 /nfs/dbraw/zinc/11/29/99/1350112999.db2.gz MKIAAGQPHMHZPW-UHFFFAOYSA-N -2 0 347.443 2.116 20 0 EEADRL O=C([O-])c1sccc1C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC001601612861 1350319870 /nfs/dbraw/zinc/31/98/70/1350319870.db2.gz BKVOIVMRUSSCGL-UHFFFAOYSA-N -2 0 330.325 2.189 20 0 EEADRL O=C([O-])C[C@@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)c1ccncc1 ZINC001601905169 1350394413 /nfs/dbraw/zinc/39/44/13/1350394413.db2.gz ROHDAAVXTVYWCL-GFCCVEGCSA-N -2 0 343.364 2.457 20 0 EEADRL O=C([O-])CC1CC(NC(=O)c2cc(Br)c(F)cc2[O-])C1 ZINC001601944642 1350402871 /nfs/dbraw/zinc/40/28/71/1350402871.db2.gz RDLONRFNNOFYFA-UHFFFAOYSA-N -2 0 346.152 2.277 20 0 EEADRL O=C([O-])COc1cccc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)c1 ZINC001602092486 1350435651 /nfs/dbraw/zinc/43/56/51/1350435651.db2.gz DTHJJVXMJBHOLA-HNNXBMFYSA-N -2 0 343.335 2.347 20 0 EEADRL CC(C)c1oncc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001604029874 1350834133 /nfs/dbraw/zinc/83/41/33/1350834133.db2.gz SXTBGPJQUYKEIH-UHFFFAOYSA-N -2 0 328.321 2.436 20 0 EEADRL C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C[C@@H]1C ZINC001604692361 1350986280 /nfs/dbraw/zinc/98/62/80/1350986280.db2.gz JCCJBDSHZAGBII-UTLUCORTSA-N -2 0 345.442 2.324 20 0 EEADRL CC[C@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001605163290 1351092354 /nfs/dbraw/zinc/09/23/54/1351092354.db2.gz KESYMVCRSSHZDH-JSGCOSHPSA-N -2 0 339.413 2.157 20 0 EEADRL CCC[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1ccccc1 ZINC001605191599 1351100118 /nfs/dbraw/zinc/10/01/18/1351100118.db2.gz CAASFJDPADOGRV-ZDUSSCGKSA-N -2 0 341.429 2.127 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]C(=O)/C=C\C(C)(C)C ZINC001607598532 1351521933 /nfs/dbraw/zinc/52/19/33/1351521933.db2.gz BEWYRIRGDUJKGC-FPLPWBNLSA-N -2 0 325.386 2.100 20 0 EEADRL Cc1cc(S(=O)(=O)N[C@H](C)CCCCC(=O)[O-])ccc1C(=O)[O-] ZINC001607705186 1351543351 /nfs/dbraw/zinc/54/33/51/1351543351.db2.gz GSKUMTVLHKKQJZ-LLVKDONJSA-N -2 0 343.401 2.005 20 0 EEADRL Cc1ccc(NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)c(C(=O)[O-])c1 ZINC001607805560 1351563131 /nfs/dbraw/zinc/56/31/31/1351563131.db2.gz ULVSOUZLLYQKKS-NSHDSACASA-N -2 0 346.305 2.335 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2cnc3ccccc3c2)cc1C(=O)[O-] ZINC001607984885 1351597874 /nfs/dbraw/zinc/59/78/74/1351597874.db2.gz NWGHONZJJBAIAU-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cccc3c[nH]nc32)c1 ZINC000073883294 1354351382 /nfs/dbraw/zinc/35/13/82/1354351382.db2.gz TUGQLMPOPRRULU-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198780033 1368645571 /nfs/dbraw/zinc/64/55/71/1368645571.db2.gz YJLNABVSTSPSOE-UHFFFAOYSA-N -2 0 334.353 2.144 20 0 EEADRL O=C([O-])C[C@@H]1CCCN(C(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC000840992021 1369906134 /nfs/dbraw/zinc/90/61/34/1369906134.db2.gz WYBIGZMDUDYIDS-GFCCVEGCSA-N -2 0 334.372 2.171 20 0 EEADRL C[C@@H](Oc1cccc(/C=C2\C(=O)NC(=O)c3ccccc32)c1)C(=O)[O-] ZINC000069621635 777131681 /nfs/dbraw/zinc/13/16/81/777131681.db2.gz LAMNVWIHVYSONR-FFCYNSPCSA-N -2 0 337.331 2.349 20 0 EEADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)c1 ZINC000906985329 784300550 /nfs/dbraw/zinc/30/05/50/784300550.db2.gz CWCNJLKFMRJFPN-LURJTMIESA-N -2 0 329.271 2.061 20 0 EEADRL O=C([O-])CC1(CNC(=O)c2ccc([O-])c(Cl)c2)CCOCC1 ZINC000910121312 786479660 /nfs/dbraw/zinc/47/96/60/786479660.db2.gz SQZDDWBIGZTHRT-UHFFFAOYSA-N -2 0 327.764 2.047 20 0 EEADRL C[C@H](C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1ccc(Cl)s1 ZINC000910182342 786514535 /nfs/dbraw/zinc/51/45/35/786514535.db2.gz HFEIALNRERQERS-DJLDLDEBSA-N -2 0 345.804 2.281 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000910185324 786516735 /nfs/dbraw/zinc/51/67/35/786516735.db2.gz HKQYHEQIWLJODU-KWQFWETISA-N -2 0 346.166 2.383 20 0 EEADRL Cc1cccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1Cl ZINC000910192730 786524472 /nfs/dbraw/zinc/52/44/72/786524472.db2.gz TUZUVAZHERNPER-ONGXEEELSA-N -2 0 325.748 2.038 20 0 EEADRL CCCN(C(=O)c1nn(-c2cc(C)ccc2F)cc1[O-])[C@@H](C)C(=O)[O-] ZINC000911711326 787650734 /nfs/dbraw/zinc/65/07/34/787650734.db2.gz IDAQQNFKYXCJRY-NSHDSACASA-N -2 0 349.362 2.351 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cccc3nccn32)cc1C(=O)[O-] ZINC001184653804 802119141 /nfs/dbraw/zinc/11/91/41/802119141.db2.gz RKSOGKRQULXDHA-UHFFFAOYSA-N -2 0 331.353 2.142 20 0 EEADRL CCOc1cncc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC001184668707 802126927 /nfs/dbraw/zinc/12/69/27/802126927.db2.gz YOJLSFVCRNNERZ-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL Cn1nc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1C(=O)[O-] ZINC000790004993 808329605 /nfs/dbraw/zinc/32/96/05/808329605.db2.gz IGGVKRMJXLGYLR-UHFFFAOYSA-N -2 0 337.401 2.217 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc(Cl)cn2)ccc1Cl ZINC001188276798 960551757 /nfs/dbraw/zinc/55/17/57/960551757.db2.gz KCTJHCYLCLIOMO-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)C(F)(F)F ZINC001260219499 960708929 /nfs/dbraw/zinc/70/89/29/960708929.db2.gz MEHOUPWBMHYYGY-SECBINFHSA-N -2 0 329.271 2.143 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cccc(CCO)c1 ZINC000313205055 963623243 /nfs/dbraw/zinc/62/32/43/963623243.db2.gz PYNMDICPJOENDS-UHFFFAOYSA-N -2 0 341.410 2.090 20 0 EEADRL CCOc1ncccc1[N-]S(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC000318817307 970476003 /nfs/dbraw/zinc/47/60/03/970476003.db2.gz ZBNZBSAWAMEBKE-UHFFFAOYSA-N -2 0 342.398 2.349 20 0 EEADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)NC[C@H]3C[C@H]3C(=O)[O-])n2)c1 ZINC001591983581 976604078 /nfs/dbraw/zinc/60/40/78/976604078.db2.gz PFQKYGFFRTYSPY-TZMCWYRMSA-N -2 0 343.383 2.152 20 0 EEADRL CC(C)n1c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)nc2ccccc21 ZINC001592121646 976931064 /nfs/dbraw/zinc/93/10/64/976931064.db2.gz ZDBOIFJBVVDFDW-UHFFFAOYSA-N -2 0 348.384 2.444 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1 ZINC000833324566 979158455 /nfs/dbraw/zinc/15/84/55/979158455.db2.gz VQLVWFGPUHSBOI-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL CC(C)(C)OC(=O)N=c1[nH]cc(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)s1 ZINC001573779114 983112436 /nfs/dbraw/zinc/11/24/36/983112436.db2.gz ZKSSTFRVMYQYAQ-ZKCHVHJHSA-N -2 0 341.389 2.083 20 0 EEADRL CCCc1cnc([N-]S(=O)(=O)c2scnc2C(=O)[O-])s1 ZINC001596081963 983397116 /nfs/dbraw/zinc/39/71/16/983397116.db2.gz HPBMBJJERUTSCP-UHFFFAOYSA-N -2 0 333.416 2.051 20 0 EEADRL CCCc1occc1C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001596102846 983429046 /nfs/dbraw/zinc/42/90/46/983429046.db2.gz YUDNQQWXARYFTK-UHFFFAOYSA-N -2 0 343.382 2.111 20 0 EEADRL CCS(=O)(=O)[N-]c1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC001597231259 987188809 /nfs/dbraw/zinc/18/88/09/987188809.db2.gz IOFNKIYYHJWHPI-UHFFFAOYSA-N -2 0 326.399 2.199 20 0 EEADRL C[C@H](NC(=O)N1CCC[C@@](C)(C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593064320 993598863 /nfs/dbraw/zinc/59/88/63/993598863.db2.gz RZUDVWDWRMPKPG-KVFJLYFUSA-N -2 0 340.420 2.018 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])cn1 ZINC001599598170 993776724 /nfs/dbraw/zinc/77/67/24/993776724.db2.gz NFWFWGOYEMWLLS-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL CO[C@@H](CS(=O)(=O)[N-]c1csnc1C(=O)[O-])C1CCCCC1 ZINC001599056811 999236027 /nfs/dbraw/zinc/23/60/27/999236027.db2.gz DWWQMBBEXRPMMC-NSHDSACASA-N -2 0 348.446 2.178 20 0 EEADRL C[C@@H]1CCC[C@@]1(C)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001594357083 999350073 /nfs/dbraw/zinc/35/00/73/999350073.db2.gz IVHSLEIJPVKGGU-AMIZOPFISA-N -2 0 331.415 2.078 20 0 EEADRL O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000184632559 304270556 /nfs/dbraw/zinc/27/05/56/304270556.db2.gz MGGSMDAWOCEYSY-UHFFFAOYSA-N -2 0 343.364 2.371 20 0 EEADRL CCc1onc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000270462524 256137993 /nfs/dbraw/zinc/13/79/93/256137993.db2.gz XIJITVMISPTGRG-UHFFFAOYSA-N -2 0 342.348 2.492 20 0 EEADRL CCc1onc(C)c1[N-]S(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000270386443 256129913 /nfs/dbraw/zinc/12/99/13/256129913.db2.gz APRGQVMLOALCMH-UHFFFAOYSA-N -2 0 342.348 2.492 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc2n[nH]cc21 ZINC000346492069 161376812 /nfs/dbraw/zinc/37/68/12/161376812.db2.gz UZPYKKANOLCWIK-UHFFFAOYSA-N -3 0 347.352 2.076 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N(C)c1ccccc1C(=O)[O-] ZINC000359654868 164146256 /nfs/dbraw/zinc/14/62/56/164146256.db2.gz XABAIHYELQDKGT-UHFFFAOYSA-N -2 0 349.364 2.217 20 0 EEADRL Cc1noc2ncc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3C)cc12 ZINC000360238305 164264361 /nfs/dbraw/zinc/26/43/61/164264361.db2.gz MPHZSASNDFOZDM-UHFFFAOYSA-N -2 0 347.352 2.339 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2O)c(F)c1 ZINC000360617025 164352013 /nfs/dbraw/zinc/35/20/13/164352013.db2.gz DMAXOZFTDZJFOQ-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2cc(C)n(C(C)C)n2)cc1C(=O)[O-] ZINC000421169080 314059458 /nfs/dbraw/zinc/05/94/58/314059458.db2.gz ADLJOMDCCYINGO-UHFFFAOYSA-N -2 0 340.405 2.093 20 0 EEADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000548591733 318397174 /nfs/dbraw/zinc/39/71/74/318397174.db2.gz MOPJXBRIDPDXLJ-LBPRGKRZSA-N -2 0 343.401 2.094 20 0 EEADRL O=C([O-])c1ccc(NS(=O)(=O)CCC2CCC2)cc1C(=O)[O-] ZINC000581014590 324170168 /nfs/dbraw/zinc/17/01/68/324170168.db2.gz NIIISCWSMYAYTF-UHFFFAOYSA-N -2 0 327.358 2.015 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2c[nH]c3ncccc23)ccc1C(=O)[O-] ZINC000066290259 462871396 /nfs/dbraw/zinc/87/13/96/462871396.db2.gz UFNFTOVQOWMGEL-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000066586133 462907914 /nfs/dbraw/zinc/90/79/14/462907914.db2.gz VDAFYHPXLGUVGF-UHFFFAOYSA-N -2 0 342.348 2.440 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)cc1C(=O)[O-] ZINC000150752644 463420123 /nfs/dbraw/zinc/42/01/23/463420123.db2.gz ZBKCKXOTLVJHMC-UHFFFAOYSA-N -2 0 332.740 2.317 20 0 EEADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)c1C ZINC000285204175 464484877 /nfs/dbraw/zinc/48/48/77/464484877.db2.gz WHPIWRLBDKNYBJ-UHFFFAOYSA-N -2 0 349.412 2.335 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1 ZINC000357412143 466014368 /nfs/dbraw/zinc/01/43/68/466014368.db2.gz KFGRBUYGFYSQCP-UHFFFAOYSA-N -2 0 335.337 2.192 20 0 EEADRL COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000350730481 466590938 /nfs/dbraw/zinc/59/09/38/466590938.db2.gz SLKFKFXREZGFFW-UHFFFAOYSA-N -2 0 349.364 2.281 20 0 EEADRL Cc1nc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)s1 ZINC000427344005 467151997 /nfs/dbraw/zinc/15/19/97/467151997.db2.gz FJKDBELZYLNGEV-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL CC(C)(CCC(=O)[O-])NC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000516375689 468025316 /nfs/dbraw/zinc/02/53/16/468025316.db2.gz BSSRYURKBKYSHX-UHFFFAOYSA-N -2 0 335.335 2.090 20 0 EEADRL C[C@@H](CCCNS(=O)(=O)c1cc2cc(F)ccc2o1)C(=O)[O-] ZINC000654772750 471170696 /nfs/dbraw/zinc/17/06/96/471170696.db2.gz GHOYCIBADCPLGH-VIFPVBQESA-N -2 0 329.349 2.351 20 0 EEADRL C[C@H](CNC(=O)c1cc(Cl)cc(Br)c1[O-])C(=O)[O-] ZINC000656231707 471643191 /nfs/dbraw/zinc/64/31/91/471643191.db2.gz NBSFVEMJOCKTBT-RXMQYKEDSA-N -2 0 336.569 2.259 20 0 EEADRL CCCn1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cn1 ZINC000743261363 577882368 /nfs/dbraw/zinc/88/23/68/577882368.db2.gz AZDFTJDOHVABGP-UHFFFAOYSA-N -2 0 337.401 2.111 20 0 EEADRL O=C(/C=C/C1CCCCC1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000739210308 578044086 /nfs/dbraw/zinc/04/40/86/578044086.db2.gz OWKJOOQAOFOBJB-SOFGYWHQSA-N -2 0 343.426 2.388 20 0 EEADRL O=C([O-])Nc1cccc(NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)c1 ZINC000740041833 578078356 /nfs/dbraw/zinc/07/83/56/578078356.db2.gz VOHAZZGRRKTOQO-UHFFFAOYSA-N -2 0 340.295 2.372 20 0 EEADRL O=C([O-])Nc1ccccc1C(=O)OCC(=O)[N-]OCc1ccccc1 ZINC000740055317 578078931 /nfs/dbraw/zinc/07/89/31/578078931.db2.gz BQYGVSLALALHHI-UHFFFAOYSA-N -2 0 344.323 2.181 20 0 EEADRL O=C([O-])c1cccc(CS(=O)(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000740225405 578086282 /nfs/dbraw/zinc/08/62/82/578086282.db2.gz KFANTLXIKBWCAX-UHFFFAOYSA-N -2 0 335.337 2.025 20 0 EEADRL Cc1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)n1 ZINC000738821436 578194814 /nfs/dbraw/zinc/19/48/14/578194814.db2.gz QACROLRUWXMUAP-UHFFFAOYSA-N -2 0 334.325 2.229 20 0 EEADRL N#Cc1ccc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])cc1Cl ZINC000317360520 600514184 /nfs/dbraw/zinc/51/41/84/600514184.db2.gz HJAOOVRMORCMBO-UHFFFAOYSA-N -2 0 337.744 2.106 20 0 EEADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000321892014 600982476 /nfs/dbraw/zinc/98/24/76/600982476.db2.gz SAYZDZYJWVBCMX-UHFFFAOYSA-N -2 0 332.381 2.459 20 0 EEADRL C[C@H](C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)C1CCCC1 ZINC000826009029 601142054 /nfs/dbraw/zinc/14/20/54/601142054.db2.gz PICQFQLCIGDOCB-JTQLQIEISA-N -2 0 325.386 2.016 20 0 EEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccn1 ZINC000318802806 601768951 /nfs/dbraw/zinc/76/89/51/601768951.db2.gz BJRDOVHDXIJRND-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL CCOc1cccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])n1 ZINC000830104814 601847867 /nfs/dbraw/zinc/84/78/67/601847867.db2.gz VAAPIJSRLPKDIN-UHFFFAOYSA-N -2 0 340.332 2.118 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccsc1C(=O)[O-] ZINC000832868366 601856841 /nfs/dbraw/zinc/85/68/41/601856841.db2.gz KKGGXLGUKLQCCU-UHFFFAOYSA-N -2 0 341.366 2.254 20 0 EEADRL CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)n[nH]1 ZINC000829216207 601861982 /nfs/dbraw/zinc/86/19/82/601861982.db2.gz KEYALTMXBOHLHT-MRVPVSSYSA-N -2 0 327.362 2.405 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)c(C(=O)[O-])[nH]1 ZINC000832899055 601881769 /nfs/dbraw/zinc/88/17/69/601881769.db2.gz BXHKUKZQWKYHIJ-UHFFFAOYSA-N -2 0 330.312 2.409 20 0 EEADRL O=C([O-])C[C@H]1CCCN1C(=O)c1cccc(Br)c1[O-] ZINC000833212393 604669816 /nfs/dbraw/zinc/66/98/16/604669816.db2.gz XZUULGZUNHJNMP-MRVPVSSYSA-N -2 0 328.162 2.234 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])c(F)c2)s1 ZINC000313321278 686921951 /nfs/dbraw/zinc/92/19/51/686921951.db2.gz PIASZDGWXIWQFV-UHFFFAOYSA-N -2 0 334.325 2.229 20 0 EEADRL CCCc1ccccc1S(=O)(=O)[N-]C(=O)C(CC)(CC)C(=O)[O-] ZINC000863963937 1197938960 /nfs/dbraw/zinc/93/89/60/1197938960.db2.gz KRLYDJOLQAFDTB-UHFFFAOYSA-N -2 0 341.429 2.335 20 0 EEADRL CCc1cc(CC)c(S(=O)(=O)[N-]C(=O)CCC(=O)[O-])c(CC)c1 ZINC000863963116 1197939122 /nfs/dbraw/zinc/93/91/22/1197939122.db2.gz KLUBQTMDBIHKNO-UHFFFAOYSA-N -2 0 341.429 2.044 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)nc(C)n1 ZINC001185871623 1278809624 /nfs/dbraw/zinc/80/96/24/1278809624.db2.gz RRYKHJKASBUQOP-UHFFFAOYSA-N -2 0 341.776 2.246 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cn(CC2CC2)cn1 ZINC001185878772 1278847336 /nfs/dbraw/zinc/84/73/36/1278847336.db2.gz DAKDGWQYCDBSBH-UHFFFAOYSA-N -2 0 335.385 2.101 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3cnoc32)ccc1F ZINC001186191349 1278984075 /nfs/dbraw/zinc/98/40/75/1278984075.db2.gz TVUZVYFWRBBJGJ-UHFFFAOYSA-N -2 0 336.300 2.466 20 0 EEADRL O=C(Nc1cccc2nccnc21)c1ccccc1OP(=O)([O-])[O-] ZINC001189889555 1280564646 /nfs/dbraw/zinc/56/46/46/1280564646.db2.gz XBNVZKLEHJAZNB-UHFFFAOYSA-N -2 0 345.251 2.354 20 0 EEADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2nccnc2C2CC2)cc1 ZINC001192106348 1281800690 /nfs/dbraw/zinc/80/06/90/1281800690.db2.gz BTYWJRSRPXRVRS-UHFFFAOYSA-N -2 0 347.396 2.172 20 0 EEADRL CC(C)c1nccnc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192115883 1281806301 /nfs/dbraw/zinc/80/63/01/1281806301.db2.gz HGQXWDQZPITIGJ-UHFFFAOYSA-N -2 0 349.412 2.418 20 0 EEADRL Cc1cc(F)nc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1 ZINC001192116796 1281807799 /nfs/dbraw/zinc/80/77/99/1281807799.db2.gz ZOESBRIVTFBZLU-UHFFFAOYSA-N -2 0 338.360 2.347 20 0 EEADRL COc1ccc([N-]S(=O)(=O)Cc2noc3ccccc32)c(O)c1 ZINC001194094638 1282904896 /nfs/dbraw/zinc/90/48/96/1282904896.db2.gz JCLQXZGWKFUHDX-UHFFFAOYSA-N -2 0 334.353 2.484 20 0 EEADRL O=S(=O)([N-]c1ccc(F)c(O)c1)c1cccc(Br)n1 ZINC001196314963 1283980826 /nfs/dbraw/zinc/98/08/26/1283980826.db2.gz QPNDMBUVDBBJEA-UHFFFAOYSA-N -2 0 347.165 2.490 20 0 EEADRL O=P([O-])([O-])OCCNC(=S)Nc1ccccc1C(F)(F)F ZINC001197280651 1284545488 /nfs/dbraw/zinc/54/54/88/1284545488.db2.gz XKCFANWHKAZYFK-UHFFFAOYSA-N -2 0 344.251 2.101 20 0 EEADRL COC(=O)c1cscc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198738621 1285312635 /nfs/dbraw/zinc/31/26/35/1285312635.db2.gz BKCWLRAUWMTIBJ-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL O=P([O-])([O-])OCCNc1ncccc1OCc1ccc(F)cc1 ZINC001157795997 1318867528 /nfs/dbraw/zinc/86/75/28/1318867528.db2.gz QAHZUPDEIZMVOG-UHFFFAOYSA-N -2 0 342.263 2.321 20 0 EEADRL Cc1ccnnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259213657 1319488732 /nfs/dbraw/zinc/48/87/32/1319488732.db2.gz FUHZUNVQERQLRW-UHFFFAOYSA-N -2 0 345.739 2.077 20 0 EEADRL Cc1cccc(CO)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260216636 1319834213 /nfs/dbraw/zinc/83/42/13/1319834213.db2.gz SBNMGJCDYOGEEF-UHFFFAOYSA-N -2 0 339.344 2.125 20 0 EEADRL CCc1ccc(C)nc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260391472 1319881771 /nfs/dbraw/zinc/88/17/71/1319881771.db2.gz KABVLOWPVOKVPL-UHFFFAOYSA-N -2 0 336.369 2.157 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccc(C)nc2Cl)c(C(=O)[O-])[nH]1 ZINC001600482994 1350062382 /nfs/dbraw/zinc/06/23/82/1350062382.db2.gz SZDDBGLBEHJECS-UHFFFAOYSA-N -2 0 329.765 2.179 20 0 EEADRL O=C([O-])c1cnc(S(=O)(=O)[C@H]2CCc3c2cccc3Cl)[n-]1 ZINC001608831517 1351774068 /nfs/dbraw/zinc/77/40/68/1351774068.db2.gz YAFTXJWSSNNMJH-NSHDSACASA-N -2 0 326.761 2.223 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)nn1 ZINC001608905334 1351790986 /nfs/dbraw/zinc/79/09/86/1351790986.db2.gz QXSKQRBKBXCXHE-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL O=Cc1ccc(-c2ccc(C(=O)N3C[C@@H](F)C[C@H]3C(=O)[O-])c([O-])c2)o1 ZINC001609048618 1351823238 /nfs/dbraw/zinc/82/32/38/1351823238.db2.gz HUVOCJUSJNJYRD-GWCFXTLKSA-N -2 0 347.298 2.102 20 0 EEADRL CC(C)(C)c1coc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)n1 ZINC001609670916 1352055129 /nfs/dbraw/zinc/05/51/29/1352055129.db2.gz HGSRQOKFJMPJHV-UHFFFAOYSA-N -2 0 338.385 2.400 20 0 EEADRL Cc1ccc(O)cc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC001587309394 1343516551 /nfs/dbraw/zinc/51/65/51/1343516551.db2.gz NUGLERUYWFWSHI-UHFFFAOYSA-N -2 0 326.312 2.011 20 0 EEADRL Cc1noc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c1C ZINC001600225474 1349997094 /nfs/dbraw/zinc/99/70/94/1349997094.db2.gz KTWICBYRVPVEJD-UHFFFAOYSA-N -2 0 328.321 2.238 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cnn(CC3CC3)c2)c(C(=O)[O-])s1 ZINC001600284061 1350010401 /nfs/dbraw/zinc/01/04/01/1350010401.db2.gz SLTNGHJONJIFMR-UHFFFAOYSA-N -2 0 341.414 2.162 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])n2)c(F)cc1F ZINC001600301234 1350014794 /nfs/dbraw/zinc/01/47/94/1350014794.db2.gz TXUPGLBTLZAKKC-UHFFFAOYSA-N -2 0 342.323 2.096 20 0 EEADRL Cc1ccccc1CS(=O)(=O)[N-]c1nc(CC(=O)[O-])cs1 ZINC001600582826 1350089956 /nfs/dbraw/zinc/08/99/56/1350089956.db2.gz ORTDNRBAIQKDPF-UHFFFAOYSA-N -2 0 326.399 2.021 20 0 EEADRL Cc1noc(C2CC2)c1[N-]S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001600811458 1350142114 /nfs/dbraw/zinc/14/21/14/1350142114.db2.gz KMHMYJAQXSQZKC-UHFFFAOYSA-N -2 0 328.390 2.247 20 0 EEADRL O=C([O-])[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccc(O)cc1 ZINC001601396103 1350273808 /nfs/dbraw/zinc/27/38/08/1350273808.db2.gz RAWNMNUZVMJFAR-LBPRGKRZSA-N -2 0 339.706 2.446 20 0 EEADRL O=C([O-])[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc(Cl)c(F)c1 ZINC001601664056 1350331977 /nfs/dbraw/zinc/33/19/77/1350331977.db2.gz BFYDXUZEZKNJOS-VDDIYKPWSA-N -2 0 343.738 2.222 20 0 EEADRL O=C([O-])C1CC2(C1)CN(c1ccnc3c(F)cccc13)C[C@H]2C(=O)[O-] ZINC001601782150 1350363883 /nfs/dbraw/zinc/36/38/83/1350363883.db2.gz RWXXETKDCTUGAM-WESRAFIDSA-N -2 0 344.342 2.376 20 0 EEADRL O=C([O-])CC1(CS(=O)(=O)Nc2ccc(C(=O)[O-])cc2Cl)CC1 ZINC001601923910 1350398262 /nfs/dbraw/zinc/39/82/62/1350398262.db2.gz UKLIKFMTVRCHHS-UHFFFAOYSA-N -2 0 347.776 2.035 20 0 EEADRL O=C([O-])CC[C@H]1CCCCN1C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001601975087 1350408494 /nfs/dbraw/zinc/40/84/94/1350408494.db2.gz TUCITVGYLOGVBZ-SNVBAGLBSA-N -2 0 340.401 2.375 20 0 EEADRL O=C([O-])CCCCC[N-]S(=O)(=O)c1onc(C2CC2)c1Cl ZINC001601985553 1350411255 /nfs/dbraw/zinc/41/12/55/1350411255.db2.gz HUEDZWOEMAREEN-UHFFFAOYSA-N -2 0 336.797 2.129 20 0 EEADRL O=C([O-])c1ccc2c(c1)NC(=O)CN2C(=O)c1cccc(Cl)c1[O-] ZINC001602649459 1350565819 /nfs/dbraw/zinc/56/58/19/1350565819.db2.gz RJYHZVORAIYPOY-UHFFFAOYSA-N -2 0 346.726 2.343 20 0 EEADRL CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])nc1 ZINC001603112448 1350642692 /nfs/dbraw/zinc/64/26/92/1350642692.db2.gz QOOPLRWZMRCXOA-UHFFFAOYSA-N -2 0 334.353 2.092 20 0 EEADRL CC(C)(CS(=O)(=O)[N-]C(=O)CC/C=C/c1ccccc1)C(=O)[O-] ZINC001603659946 1350736389 /nfs/dbraw/zinc/73/63/89/1350736389.db2.gz IXFCXOVKAGJHBR-UXBLZVDNSA-N -2 0 339.413 2.037 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC001605885865 1351246841 /nfs/dbraw/zinc/24/68/41/1351246841.db2.gz YZGKGSZVIQMJCV-UHFFFAOYSA-N -3 0 339.325 2.039 20 0 EEADRL COCc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnc(C)s2)c1 ZINC001606940639 1351380827 /nfs/dbraw/zinc/38/08/27/1351380827.db2.gz GAZADVFAJSOFQH-UHFFFAOYSA-N -2 0 342.398 2.097 20 0 EEADRL COc1c([N-]S(=O)(=O)C[C@@H](CC(C)C)OC)cccc1C(=O)[O-] ZINC001607049797 1351403596 /nfs/dbraw/zinc/40/35/96/1351403596.db2.gz JEZHMPDSMNYUMZ-LLVKDONJSA-N -2 0 345.417 2.196 20 0 EEADRL C[C@]1(C(=O)[O-])[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001607482801 1351501480 /nfs/dbraw/zinc/50/14/80/1351501480.db2.gz HSMYZRKJVFSAKI-UAWULEBASA-N -2 0 333.315 2.375 20 0 EEADRL Cc1[nH]c(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c(C)c1C(=O)[O-] ZINC001607488495 1351503150 /nfs/dbraw/zinc/50/31/50/1351503150.db2.gz FFVDKYPUZXREGS-UTUOFQBUSA-N -2 0 334.372 2.188 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2cc3c(cc2C)OCO3)cc1C(=O)[O-] ZINC001607711882 1351544450 /nfs/dbraw/zinc/54/44/50/1351544450.db2.gz OSLPNOJIJWSBRC-UHFFFAOYSA-N -2 0 339.325 2.124 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001607742548 1351550658 /nfs/dbraw/zinc/55/06/58/1351550658.db2.gz JENZFURNVSJSRN-UHFFFAOYSA-N -2 0 339.307 2.289 20 0 EEADRL Cc1[nH]nc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)c1C ZINC001607937399 1351589729 /nfs/dbraw/zinc/58/97/29/1351589729.db2.gz UMIRZUAOUGUJBI-UHFFFAOYSA-N -2 0 347.755 2.318 20 0 EEADRL O=C([O-])c1ccc(NS(=O)(=O)[N-]C(=O)CC2=CCCCC2)cc1 ZINC001608292812 1351664994 /nfs/dbraw/zinc/66/49/94/1351664994.db2.gz WHBOEWGJMYUQMF-UHFFFAOYSA-N -2 0 338.385 2.048 20 0 EEADRL Cc1cc(O)cnc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188272469 1368292776 /nfs/dbraw/zinc/29/27/76/1368292776.db2.gz JCIFLJCSNQOCTG-UHFFFAOYSA-N -2 0 342.760 2.248 20 0 EEADRL Cn1cc(-c2ccnc(NCCOP(=O)([O-])[O-])n2)c2ccccc21 ZINC001168587634 790552201 /nfs/dbraw/zinc/55/22/01/790552201.db2.gz TVCALCULKCHSCX-UHFFFAOYSA-N -2 0 348.299 2.157 20 0 EEADRL CC(C)Oc1ncc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)cn1 ZINC001167939443 781029147 /nfs/dbraw/zinc/02/91/47/781029147.db2.gz VBZGAKZGOPIDPW-UHFFFAOYSA-N -2 0 349.327 2.349 20 0 EEADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)N3CCC[C@H]3CC(=O)[O-])n2)c1 ZINC000909740592 786212705 /nfs/dbraw/zinc/21/27/05/786212705.db2.gz PQZAUQYGZLQQKW-NSHDSACASA-N -2 0 347.346 2.105 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000910185682 786517566 /nfs/dbraw/zinc/51/75/66/786517566.db2.gz JNHPCRVHVQJEIR-MWLCHTKSSA-N -2 0 345.273 2.095 20 0 EEADRL Cc1cc(C)cc(CCC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1 ZINC000910192991 786524572 /nfs/dbraw/zinc/52/45/72/786524572.db2.gz ZRMCCKOXOYVIPD-HUUCEWRRSA-N -2 0 333.384 2.012 20 0 EEADRL CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(F)c(F)c1[O-] ZINC000844664042 789298095 /nfs/dbraw/zinc/29/80/95/789298095.db2.gz OMWGOJWZFDHSPT-SNVBAGLBSA-N -2 0 337.344 2.144 20 0 EEADRL C/C=C/n1cnc2c1ncnc2Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176237801 798390744 /nfs/dbraw/zinc/39/07/44/798390744.db2.gz BTEYLRYJZSQKBM-NSCUHMNNSA-N -2 0 339.311 2.457 20 0 EEADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-]Cc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000793990464 810626742 /nfs/dbraw/zinc/62/67/42/810626742.db2.gz YXXGVDQYJKDDOP-YFKPBYRVSA-N -2 0 347.261 2.033 20 0 EEADRL Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1cccc(C(=O)[O-])c1 ZINC001611162573 970919011 /nfs/dbraw/zinc/91/90/11/970919011.db2.gz MKRSMXIXIIQXLD-UHFFFAOYSA-N -2 0 338.323 2.436 20 0 EEADRL CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000324057291 971078850 /nfs/dbraw/zinc/07/88/50/971078850.db2.gz ZJNPFFQOZHWGNM-UHFFFAOYSA-N -2 0 340.313 2.249 20 0 EEADRL C[C@@]1(C(=O)[O-])CCCN1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001589189047 956586677 /nfs/dbraw/zinc/58/66/77/956586677.db2.gz PSLSCBHQQYNEMY-INIZCTEOSA-N -2 0 349.774 2.311 20 0 EEADRL O=C([O-])C1(NC(=O)c2cc(Br)c(F)cc2[O-])CCCC1 ZINC001594719784 956965883 /nfs/dbraw/zinc/96/58/83/956965883.db2.gz BGHYEGDOISZIBG-UHFFFAOYSA-N -2 0 346.152 2.421 20 0 EEADRL Cc1csc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000389692375 972241057 /nfs/dbraw/zinc/24/10/57/972241057.db2.gz BESINQUYLQTYLZ-UHFFFAOYSA-N -2 0 342.354 2.464 20 0 EEADRL Cc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)o1 ZINC001259212536 960662612 /nfs/dbraw/zinc/66/26/12/960662612.db2.gz QTHRKEXULPJPME-UHFFFAOYSA-N -2 0 334.712 2.275 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1nc2ccccc2[nH]1 ZINC000320409232 970661074 /nfs/dbraw/zinc/66/10/74/970661074.db2.gz HMBQBYVXIYEEGR-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N(C)C)cc1C ZINC000321205726 970751432 /nfs/dbraw/zinc/75/14/32/970751432.db2.gz HTNLVJOPGIEOGC-UHFFFAOYSA-N -2 0 338.385 2.461 20 0 EEADRL C[C@H](CCC[C@H](C)C(=O)[O-])NS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001592478749 978253416 /nfs/dbraw/zinc/25/34/16/978253416.db2.gz YAHUAZBYSXSKGU-DTWKUNHWSA-N -2 0 349.430 2.004 20 0 EEADRL CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-] ZINC001595126248 979516227 /nfs/dbraw/zinc/51/62/27/979516227.db2.gz SYVIRZFLBNXYJC-GMXVVIOVSA-N -2 0 333.450 2.148 20 0 EEADRL CC(C)[C@@H](CNC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1)C(=O)[O-] ZINC001592866991 979713480 /nfs/dbraw/zinc/71/34/80/979713480.db2.gz NIGHKAVQZGLFSD-SMDDNHRTSA-N -2 0 336.388 2.428 20 0 EEADRL C[C@H](NC(=O)CC1(CC(=O)[O-])CCC1)c1ncc(C(=O)[O-])s1 ZINC001593014135 980252683 /nfs/dbraw/zinc/25/26/83/980252683.db2.gz FFJVYCOPYIVHOH-QMMMGPOBSA-N -2 0 326.374 2.054 20 0 EEADRL CC[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]OCCCC(=O)[O-] ZINC001594945183 982631106 /nfs/dbraw/zinc/63/11/06/982631106.db2.gz OIQMNSRQNFCBHO-VXGBXAGGSA-N -2 0 346.424 2.229 20 0 EEADRL CCCN(CC(=O)[O-])C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001595854390 982782551 /nfs/dbraw/zinc/78/25/51/982782551.db2.gz VGWUSJMLRLTXJE-UHFFFAOYSA-N -2 0 337.763 2.168 20 0 EEADRL CCCc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])o1 ZINC001596081938 983396401 /nfs/dbraw/zinc/39/64/01/983396401.db2.gz GCTPLHRHUIHGFC-UHFFFAOYSA-N -2 0 337.353 2.049 20 0 EEADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CC(C1CCC1)C1CCC1 ZINC001589455106 986890100 /nfs/dbraw/zinc/89/01/00/986890100.db2.gz ZQILXRJOQYALIP-MNOVXSKESA-N -2 0 345.461 2.148 20 0 EEADRL C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)c1ccccc1 ZINC001589462373 986916979 /nfs/dbraw/zinc/91/69/79/986916979.db2.gz OJJQUVYLKXEBSU-RNCFNFMXSA-N -2 0 341.323 2.120 20 0 EEADRL CSCc1cccc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)c1 ZINC001599803406 988214955 /nfs/dbraw/zinc/21/49/55/988214955.db2.gz XOJQDLAVQWBGEU-UHFFFAOYSA-N -2 0 338.410 2.444 20 0 EEADRL CC(C)CN(CC(=O)[O-])C(=O)c1cccc(Br)c1[O-] ZINC001591298147 992247766 /nfs/dbraw/zinc/24/77/66/992247766.db2.gz PMBNUOIXWHMPSE-UHFFFAOYSA-N -2 0 330.178 2.338 20 0 EEADRL COc1cccc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])c1O ZINC001599680215 994967485 /nfs/dbraw/zinc/96/74/85/994967485.db2.gz GOPCRICRBZTQGB-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL C[C@H](OC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-])C(=O)[O-] ZINC001593601392 995757291 /nfs/dbraw/zinc/75/72/91/995757291.db2.gz NPMKLAGXDCTKJN-ZETCQYMHSA-N -2 0 344.245 2.227 20 0 EEADRL COc1c(NC(=O)c2cc(C)cc(C=O)c2[O-])cccc1C(=O)[O-] ZINC001599343382 997959082 /nfs/dbraw/zinc/95/90/82/997959082.db2.gz ZUPLMBVDDLKACZ-UHFFFAOYSA-N -2 0 329.308 2.472 20 0 EEADRL COc1cc(NC(=O)c2s[n-]c(=O)c2Cl)ccc1C(=O)[O-] ZINC001599444731 997989894 /nfs/dbraw/zinc/98/98/94/997989894.db2.gz WSPYOVZALJHOTH-UHFFFAOYSA-N -2 0 328.733 2.461 20 0 EEADRL COc1cc(C(=O)[O-])ccc1NC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC001599371286 998414339 /nfs/dbraw/zinc/41/43/39/998414339.db2.gz OGXNQYLUXJSJQI-UHFFFAOYSA-N -2 0 336.344 2.112 20 0 EEADRL C[C@@H]1CCCC[C@H]1CC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001594364319 999376778 /nfs/dbraw/zinc/37/67/78/999376778.db2.gz YHNRALVTTHIZEM-ZJUUUORDSA-N -2 0 345.442 2.468 20 0 EEADRL Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000048807628 204356444 /nfs/dbraw/zinc/35/64/44/204356444.db2.gz NYIVRLRPOXSXOK-UHFFFAOYSA-N -2 0 330.749 2.444 20 0 EEADRL Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000111278922 142355726 /nfs/dbraw/zinc/35/57/26/142355726.db2.gz RKHBAIZOOSRSPZ-UHFFFAOYSA-N -2 0 330.749 2.444 20 0 EEADRL COc1ccc(O)c(S(=O)(=O)[N-]c2cnc(CC(C)C)nc2)c1 ZINC000355891269 153189232 /nfs/dbraw/zinc/18/92/32/153189232.db2.gz XULMCNIVFNPZFG-UHFFFAOYSA-N -2 0 337.401 2.190 20 0 EEADRL COc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000362303943 164636122 /nfs/dbraw/zinc/63/61/22/164636122.db2.gz BZXKIBGCODZWIW-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL COc1ccsc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1CCC(=O)[O-] ZINC000297353144 294219850 /nfs/dbraw/zinc/21/98/50/294219850.db2.gz ZGXSNZCTZPBPQV-GHMZBOCLSA-N -2 0 347.458 2.459 20 0 EEADRL COc1ccc(O)c(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])c1 ZINC000342774716 295166249 /nfs/dbraw/zinc/16/62/49/295166249.db2.gz FBTZFRYUVRGYCG-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL Cc1nc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])CCCC3)cn1C ZINC000332121623 311953272 /nfs/dbraw/zinc/95/32/72/311953272.db2.gz DSKCSAQHZVKSFP-UHFFFAOYSA-N -2 0 349.412 2.106 20 0 EEADRL O=C(c1cc(F)c([O-])c(Cl)c1)N1CCCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000333596281 312171127 /nfs/dbraw/zinc/17/11/27/312171127.db2.gz VWKGIUZBYSUVHX-JTQLQIEISA-N -2 0 340.742 2.376 20 0 EEADRL COc1cc(/C=C/c2cc(C(=O)[O-])ncn2)ccc1OCCC(=O)[O-] ZINC000546596143 318253744 /nfs/dbraw/zinc/25/37/44/318253744.db2.gz GHAQWFPLDDEFBT-DUXPYHPUSA-N -2 0 344.323 2.207 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)NCCC(C)(C)C(=O)[O-])n1 ZINC000582964165 324566330 /nfs/dbraw/zinc/56/63/30/324566330.db2.gz JMRRYQLQLDFIKU-UHFFFAOYSA-N -2 0 345.399 2.371 20 0 EEADRL COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C)c1 ZINC000066290387 462870856 /nfs/dbraw/zinc/87/08/56/462870856.db2.gz FBCXWWYZHBYMOA-UHFFFAOYSA-N -2 0 349.364 2.281 20 0 EEADRL COc1cc(F)cc(F)c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000170633016 463686317 /nfs/dbraw/zinc/68/63/17/463686317.db2.gz KVTWDLBHUGHEHJ-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2O)c1 ZINC000357080508 465751905 /nfs/dbraw/zinc/75/19/05/465751905.db2.gz UKJSNQAXKNRRTH-UHFFFAOYSA-N -2 0 341.772 2.474 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000357896915 466300382 /nfs/dbraw/zinc/30/03/82/466300382.db2.gz UPTFSPMNWIAZBP-UHFFFAOYSA-N -2 0 349.364 2.121 20 0 EEADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1O ZINC000322509060 466632965 /nfs/dbraw/zinc/63/29/65/466632965.db2.gz FCHGNIVLHLXKCI-UHFFFAOYSA-N -2 0 347.270 2.309 20 0 EEADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccn1C ZINC000414174943 467386475 /nfs/dbraw/zinc/38/64/75/467386475.db2.gz YOGPNJZDYPLPDV-UHFFFAOYSA-N -2 0 338.385 2.313 20 0 EEADRL C[C@@H]([C@H](NS(=O)(=O)c1c(F)cccc1Cl)C(=O)[O-])C1CC1 ZINC000548990802 468164787 /nfs/dbraw/zinc/16/47/87/468164787.db2.gz USXXDVIGZJHPNZ-HQJQHLMTSA-N -2 0 335.784 2.257 20 0 EEADRL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000568001043 468253601 /nfs/dbraw/zinc/25/36/01/468253601.db2.gz JVOLWIRCWPWZTO-ZCFIWIBFSA-N -2 0 343.298 2.165 20 0 EEADRL CC1(C)C[C@H](S(=O)(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)CO1 ZINC000630423582 469841198 /nfs/dbraw/zinc/84/11/98/469841198.db2.gz GIXLHUCNCOJSJG-MELADBBJSA-N -2 0 339.413 2.184 20 0 EEADRL CC[C@@](C)(C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000650413102 470873969 /nfs/dbraw/zinc/87/39/69/470873969.db2.gz ISVRWMXRFIJVHV-LBPRGKRZSA-N -2 0 341.763 2.397 20 0 EEADRL CC(C)C[C@H](CNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(=O)[O-] ZINC000663058410 472343770 /nfs/dbraw/zinc/34/37/70/472343770.db2.gz OJVVMEFKTWBLFP-LLVKDONJSA-N -2 0 349.362 2.194 20 0 EEADRL CC(C)c1nc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c[nH]1 ZINC000673884009 485569424 /nfs/dbraw/zinc/56/94/24/485569424.db2.gz GPBCZUXQNTWTRG-UHFFFAOYSA-N -2 0 327.337 2.171 20 0 EEADRL Cc1cccc2c1CCN2S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000674335010 485700385 /nfs/dbraw/zinc/70/03/85/485700385.db2.gz DICKQSWSXUTCDE-UHFFFAOYSA-N -2 0 333.365 2.150 20 0 EEADRL CCc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c(C(=O)[O-])c1 ZINC000496067434 536190013 /nfs/dbraw/zinc/19/00/13/536190013.db2.gz CTICUNVFOGJWDY-UHFFFAOYSA-N -2 0 349.364 2.446 20 0 EEADRL Cc1ccc(/C=C/S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)cc1 ZINC000738267032 578007033 /nfs/dbraw/zinc/00/70/33/578007033.db2.gz BVVRLXBGOUGBTM-VOTSOKGWSA-N -2 0 338.410 2.491 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)c(C)c1C ZINC000738063756 576355837 /nfs/dbraw/zinc/35/58/37/576355837.db2.gz JQGVRWQDSAAJCV-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)c1F ZINC000766371365 577518055 /nfs/dbraw/zinc/51/80/55/577518055.db2.gz XBQSWXXOJKZVIM-UHFFFAOYSA-N -2 0 349.290 2.225 20 0 EEADRL CCn1nc(C)c(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])c1C ZINC000737311677 578249681 /nfs/dbraw/zinc/24/96/81/578249681.db2.gz DPMPZOUVYCLXLR-UHFFFAOYSA-N -2 0 329.403 2.080 20 0 EEADRL CC(=O)c1ccccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000825964040 600671881 /nfs/dbraw/zinc/67/18/81/600671881.db2.gz MNFZNGNIZFTIPU-UHFFFAOYSA-N -2 0 325.367 2.450 20 0 EEADRL CC(C)Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cn1 ZINC000072760850 600687490 /nfs/dbraw/zinc/68/74/90/600687490.db2.gz HELMLLNEQHOVCI-UHFFFAOYSA-N -2 0 329.403 2.100 20 0 EEADRL O=C([O-])[C@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)c1ccccn1 ZINC000833126913 600973983 /nfs/dbraw/zinc/97/39/83/600973983.db2.gz SAGGPNXSCXOMSE-GFCCVEGCSA-N -2 0 329.337 2.067 20 0 EEADRL CCCn1c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)nc2ccccc21 ZINC000829579260 600979234 /nfs/dbraw/zinc/97/92/34/600979234.db2.gz GMMWWEHEQZGQLW-UHFFFAOYSA-N -2 0 348.384 2.273 20 0 EEADRL O=C([O-])C[C@@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2[O-])CCO1 ZINC000833218138 601760496 /nfs/dbraw/zinc/76/04/96/601760496.db2.gz SMKOXVYMSYGEDO-SSDOTTSWSA-N -2 0 334.155 2.015 20 0 EEADRL CCC(CC)(CC)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000828810805 602240231 /nfs/dbraw/zinc/24/02/31/602240231.db2.gz RRZPSASTRQTRJV-UHFFFAOYSA-N -2 0 333.431 2.468 20 0 EEADRL CC(=O)c1ccc(S(=O)(=O)[N-]c2sccc2C(=O)[O-])cc1 ZINC000833401346 605022332 /nfs/dbraw/zinc/02/23/32/605022332.db2.gz IUMBEIUVOSSZGI-UHFFFAOYSA-N -2 0 325.367 2.450 20 0 EEADRL COCc1ccc(S(=O)(=O)[N-]c2nc(C)c(C(=O)[O-])s2)cc1 ZINC000833726078 605050114 /nfs/dbraw/zinc/05/01/14/605050114.db2.gz QOISVMXLXVMGCE-UHFFFAOYSA-N -2 0 342.398 2.097 20 0 EEADRL CC(C)n1nccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000833513682 605166804 /nfs/dbraw/zinc/16/68/04/605166804.db2.gz JLHSXSSKGPYZBW-UHFFFAOYSA-N -2 0 327.337 2.102 20 0 EEADRL CCC(=O)[N-][N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000007409853 685445685 /nfs/dbraw/zinc/44/56/85/685445685.db2.gz PLGUOLPRRBNWCO-UHFFFAOYSA-N -2 0 330.715 2.078 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cn(CC(C)C)cn1 ZINC001185879357 1278846394 /nfs/dbraw/zinc/84/63/94/1278846394.db2.gz ODISNUNZQTUSBM-UHFFFAOYSA-N -2 0 337.401 2.347 20 0 EEADRL O=C(NCCOP(=O)([O-])[O-])Nc1cc(Cl)cc(Cl)c1 ZINC001187156018 1279416638 /nfs/dbraw/zinc/41/66/38/1279416638.db2.gz GOTPCMARYDKANN-UHFFFAOYSA-N -2 0 329.076 2.224 20 0 EEADRL CCOCCS(=O)(=O)[N-]c1ccc(F)c(Br)c1[O-] ZINC001187287170 1279477734 /nfs/dbraw/zinc/47/77/34/1279477734.db2.gz VHKACQBIBSJMJD-UHFFFAOYSA-N -2 0 342.186 2.072 20 0 EEADRL CCOc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)no1 ZINC001187552913 1279580135 /nfs/dbraw/zinc/58/01/35/1279580135.db2.gz FZTDGQWWXPWUBI-UHFFFAOYSA-N -2 0 346.748 2.226 20 0 EEADRL COc1cncc(NC(=O)c2ccccc2OP(=O)([O-])[O-])c1C ZINC001189860918 1280523384 /nfs/dbraw/zinc/52/33/84/1280523384.db2.gz PEQIOOBKNWIJBL-UHFFFAOYSA-N -2 0 338.256 2.122 20 0 EEADRL O=C([O-])Cc1ccc(-c2cc(C(F)(F)F)c(C(=O)[O-])nn2)cc1 ZINC001240973990 1309438056 /nfs/dbraw/zinc/43/80/56/1309438056.db2.gz UKJVZRPHPOQRGP-UHFFFAOYSA-N -2 0 326.230 2.488 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cnc3c(c2)NC(=O)CS3)c1 ZINC001242162836 1309623737 /nfs/dbraw/zinc/62/37/37/1309623737.db2.gz KLNBLXGNQRCNIV-UHFFFAOYSA-N -2 0 330.321 2.189 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cnn(CC3CCC3)c(=O)c2)c1 ZINC001242163597 1309624408 /nfs/dbraw/zinc/62/44/08/1309624408.db2.gz BIOOEMPUGIFNTA-UHFFFAOYSA-N -2 0 328.324 2.107 20 0 EEADRL Cc1cc(=O)n(-c2ccc(-c3ccc(C(=O)[O-])c(F)c3F)nn2)[n-]1 ZINC001243511259 1309815238 /nfs/dbraw/zinc/81/52/38/1309815238.db2.gz AOQJGKOCWQRMCF-UHFFFAOYSA-N -2 0 332.266 2.233 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n(CC2CCC2)n1 ZINC001260222373 1319837259 /nfs/dbraw/zinc/83/72/59/1319837259.db2.gz YTNTXOBILXPEKK-UHFFFAOYSA-N -2 0 349.412 2.491 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc(Cl)n1 ZINC001260184189 1319817674 /nfs/dbraw/zinc/81/76/74/1319817674.db2.gz WVQDDBCQJIRAEK-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL CCOc1cccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260209441 1319832895 /nfs/dbraw/zinc/83/28/95/1319832895.db2.gz FTYOVFOIMORHBG-UHFFFAOYSA-N -2 0 340.332 2.118 20 0 EEADRL Cc1cc(C)c(O)c([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1 ZINC001260399107 1319884573 /nfs/dbraw/zinc/88/45/73/1319884573.db2.gz ULQCDZMXKBEMBI-UHFFFAOYSA-N -2 0 337.353 2.214 20 0 EEADRL COc1cccc(CCNc2ccc(P(=O)([O-])[O-])cc2)c1OC ZINC001163693110 1321194295 /nfs/dbraw/zinc/19/42/95/1321194295.db2.gz HHVWCUXWZZOUFK-UHFFFAOYSA-N -2 0 337.312 2.161 20 0 EEADRL Nc1c([N-]S(=O)(=O)c2cnc3ccsc3c2)cccc1C(=O)[O-] ZINC001601210002 1350231779 /nfs/dbraw/zinc/23/17/79/1350231779.db2.gz WZWGXAWSDOGMBP-UHFFFAOYSA-N -2 0 349.393 2.378 20 0 EEADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C2(C(F)(F)F)CCC2)cc1 ZINC001602354796 1350502722 /nfs/dbraw/zinc/50/27/22/1350502722.db2.gz GMDYSHRWWZSREG-UHFFFAOYSA-N -2 0 337.319 2.289 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC001608038899 1351611927 /nfs/dbraw/zinc/61/19/27/1351611927.db2.gz WVIRTFGVWBYFBP-RKDXNWHRSA-N -2 0 343.401 2.163 20 0 EEADRL O=C([O-])C1(CS(=O)(=O)[N-]c2cccc3nccnc23)CCCC1 ZINC001608574568 1351718799 /nfs/dbraw/zinc/71/87/99/1351718799.db2.gz HKBBXUIYUFESLY-UHFFFAOYSA-N -2 0 335.385 2.017 20 0 EEADRL O=C([O-])CCOc1ccc(NC(=O)c2cc(=O)[nH]c(C3CC3)n2)cc1 ZINC001608731251 1351751106 /nfs/dbraw/zinc/75/11/06/1351751106.db2.gz HRJHUKWABYZRAI-UHFFFAOYSA-N -2 0 343.339 2.165 20 0 EEADRL O=C([O-])CCc1cccc([N-]S(=O)(=O)c2cnn(CC3CC3)c2)c1 ZINC001608740084 1351752940 /nfs/dbraw/zinc/75/29/40/1351752940.db2.gz DLPFWLCAPSSRAV-UHFFFAOYSA-N -2 0 349.412 2.111 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cncc3c2CCCC3)c1 ZINC001608938419 1351798528 /nfs/dbraw/zinc/79/85/28/1351798528.db2.gz KHQDLGMWVFPEEP-UHFFFAOYSA-N -2 0 332.381 2.459 20 0 EEADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1sc2ccccc2c1Cl ZINC001609644457 1352049301 /nfs/dbraw/zinc/04/93/01/1352049301.db2.gz YFWRGZNHOKENDI-ZCFIWIBFSA-N -2 0 347.801 2.087 20 0 EEADRL COc1ccccc1C[C@@H](CNC(=O)c1cc(F)ccc1O)C(=O)[O-] ZINC001610367046 1352211718 /nfs/dbraw/zinc/21/17/18/1352211718.db2.gz KBYMGTUIYQBUOO-LBPRGKRZSA-N -2 0 347.342 2.213 20 0 EEADRL Cc1ccc2c(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])csc2c1 ZINC001610517379 1352237027 /nfs/dbraw/zinc/23/70/27/1352237027.db2.gz RLURVDSTUOXVKL-UHFFFAOYSA-N -2 0 341.410 2.134 20 0 EEADRL Cc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)nc1 ZINC001610539972 1352241654 /nfs/dbraw/zinc/24/16/54/1352241654.db2.gz PDNNVGRAPOVIKZ-UHFFFAOYSA-N -2 0 345.739 2.077 20 0 EEADRL Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1-c1ccccc1 ZINC001610550135 1352243032 /nfs/dbraw/zinc/24/30/32/1352243032.db2.gz BTHVXVCAMJWPDL-UHFFFAOYSA-N -2 0 347.352 2.477 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C2CC2)nc(C)n1 ZINC001610558349 1352244620 /nfs/dbraw/zinc/24/46/20/1352244620.db2.gz IBTRQSSSRUMSGF-UHFFFAOYSA-N -2 0 347.396 2.470 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2cc(C3CC3)nc(C)n2)cc1C(=O)[O-] ZINC001610558741 1352244627 /nfs/dbraw/zinc/24/46/27/1352244627.db2.gz ZCDIIOSKCNPYLM-UHFFFAOYSA-N -2 0 337.357 2.063 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)C[C@H]1CCC[C@@H](C)C1 ZINC001610581953 1352248883 /nfs/dbraw/zinc/24/88/83/1352248883.db2.gz XIIKKNIULMPIFM-KOLCDFICSA-N -2 0 343.401 2.308 20 0 EEADRL O=C([O-])c1ccc(CN2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)cc1Cl ZINC001610826996 1352281490 /nfs/dbraw/zinc/28/14/90/1352281490.db2.gz KZQCMGKGVKBICE-SNVBAGLBSA-N -2 0 336.779 2.242 20 0 EEADRL Cc1cc(/C=C/c2cc(C(=O)[O-])ncn2)cc(C)c1OCC(=O)[O-] ZINC001600186492 1349988104 /nfs/dbraw/zinc/98/81/04/1349988104.db2.gz ONPKIEUSDBYYKG-ONEGZZNKSA-N -2 0 328.324 2.425 20 0 EEADRL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC001600342646 1350024683 /nfs/dbraw/zinc/02/46/83/1350024683.db2.gz WHBNNTZQYSJUFQ-UHFFFAOYSA-N -2 0 343.744 2.058 20 0 EEADRL Cc1ccnc([N-]S(=O)(=O)c2cc(C(=O)[O-])cn2C)c1C1CC1 ZINC001600600322 1350094535 /nfs/dbraw/zinc/09/45/35/1350094535.db2.gz DDARGKRSQXOZQD-UHFFFAOYSA-N -2 0 335.385 2.105 20 0 EEADRL Cc1sc(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)c(C(=O)[O-])c1C ZINC001600887342 1350160536 /nfs/dbraw/zinc/16/05/36/1350160536.db2.gz PGMXPHUFOTZIIA-SECBINFHSA-N -2 0 326.374 2.392 20 0 EEADRL O=C(/C=C/c1ccsc1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001601245003 1350240296 /nfs/dbraw/zinc/24/02/96/1350240296.db2.gz UAIJGPSKZPADMQ-HNQUOIGGSA-N -2 0 343.407 2.026 20 0 EEADRL O=C([O-])[C@@H](NC(=O)c1s[n-]c(=O)c1Cl)c1ccccc1F ZINC001601402091 1350275511 /nfs/dbraw/zinc/27/55/11/1350275511.db2.gz PBENFQVUZYDUMT-QMMMGPOBSA-N -2 0 330.724 2.197 20 0 EEADRL O=C([O-])[C@H](CC1CCCCC1)NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001601415627 1350279715 /nfs/dbraw/zinc/27/97/15/1350279715.db2.gz OACPOTWYLXTALK-NSHDSACASA-N -2 0 333.344 2.082 20 0 EEADRL O=C([O-])[C@@H](CNC(=O)C1(C(=O)[O-])CC1)Cc1ccc2ccccc2c1 ZINC001601649811 1350328789 /nfs/dbraw/zinc/32/87/89/1350328789.db2.gz YAWSSBGMOQZRAD-OAHLLOKOSA-N -2 0 341.363 2.064 20 0 EEADRL O=C([O-])CCCCCNC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001601984753 1350411308 /nfs/dbraw/zinc/41/13/08/1350411308.db2.gz PUPRENQHDOVCDD-AWEZNQCLSA-N -2 0 334.372 2.025 20 0 EEADRL O=C([O-])CCS(=O)(=O)[N-]c1cccc(Cl)c1OCC(F)F ZINC001602028360 1350421495 /nfs/dbraw/zinc/42/14/95/1350421495.db2.gz ABEBLSIJZURWIF-UHFFFAOYSA-N -2 0 343.735 2.200 20 0 EEADRL O=C([O-])CCSc1cccc(NC(=O)NCC2(C(=O)[O-])CC2)c1 ZINC001602034449 1350422408 /nfs/dbraw/zinc/42/24/08/1350422408.db2.gz YGUKAWBZYMVBBV-UHFFFAOYSA-N -2 0 338.385 2.240 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cn1 ZINC001602386010 1350508099 /nfs/dbraw/zinc/50/80/99/1350508099.db2.gz VUKYDQALHHOTPJ-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])C(=O)[N-]OC1CCCCC1 ZINC001603485638 1350711322 /nfs/dbraw/zinc/71/13/22/1350711322.db2.gz XPKMPZDFCZSGMF-GFCCVEGCSA-N -2 0 344.408 2.125 20 0 EEADRL C[C@](CNC(=O)Cc1cccc(C(=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC001604174653 1350883616 /nfs/dbraw/zinc/88/36/16/1350883616.db2.gz SUPCATDQBJAELH-LJQANCHMSA-N -2 0 341.363 2.086 20 0 EEADRL C[C@@H]1CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CC[C@@H]1C(=O)[O-] ZINC001604778189 1351001130 /nfs/dbraw/zinc/00/11/30/1351001130.db2.gz SMHKPIBQXWCURQ-SFYZADRCSA-N -2 0 342.298 2.238 20 0 EEADRL CCCc1c(C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)[nH]c(C)c1C(=O)[O-] ZINC001605363714 1351144437 /nfs/dbraw/zinc/14/44/37/1351144437.db2.gz BOYJQXVTPQLDPS-KOLCDFICSA-N -2 0 336.388 2.157 20 0 EEADRL CCOC(=O)c1cnc(/C=C/c2cc(C(=O)[O-])n(C)c2)c(C(=O)[O-])c1 ZINC001605579732 1351193437 /nfs/dbraw/zinc/19/34/37/1351193437.db2.gz JUYANIKFOTXFIF-SNAWJCMRSA-N -2 0 344.323 2.164 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N[C@H](CC2CC2)C(=O)[O-])n1 ZINC001605832209 1351231342 /nfs/dbraw/zinc/23/13/42/1351231342.db2.gz HZTYMTBXBAPILG-CYBMUJFWSA-N -2 0 343.383 2.123 20 0 EEADRL COCc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C)n2)c1 ZINC001606940895 1351380333 /nfs/dbraw/zinc/38/03/33/1351380333.db2.gz NYXHZYGSLWMLBV-UHFFFAOYSA-N -2 0 336.369 2.035 20 0 EEADRL Cc1[nH]c(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c(C)c1C(=O)[O-] ZINC001607488494 1351502979 /nfs/dbraw/zinc/50/29/79/1351502979.db2.gz FFVDKYPUZXREGS-TUAOUCFPSA-N -2 0 334.372 2.188 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nccc2ccncc21 ZINC001607748451 1351551559 /nfs/dbraw/zinc/55/15/59/1351551559.db2.gz DLJAGRDWQBMJFK-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL Cc1ccc(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)cc1C(=O)[O-] ZINC001607798192 1351561159 /nfs/dbraw/zinc/56/11/59/1351561159.db2.gz QEDRYVCOXBYQIA-UHFFFAOYSA-N -2 0 332.278 2.089 20 0 EEADRL Cc1csc(C(=O)[O-])c1[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC001607922749 1351586659 /nfs/dbraw/zinc/58/66/59/1351586659.db2.gz FFPQKHWOJOHUQC-UHFFFAOYSA-N -2 0 341.414 2.088 20 0 EEADRL Nc1noc2cc(NC3([P@@](=O)([O-])O)Cc4ccccc4C3)ccc12 ZINC001167940619 781038543 /nfs/dbraw/zinc/03/85/43/781038543.db2.gz ZTKQUTUENAWBHL-UHFFFAOYSA-N -2 0 345.295 2.495 20 0 EEADRL CCN(CCC(F)(F)F)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000906846471 784191319 /nfs/dbraw/zinc/19/13/19/784191319.db2.gz YLEYYPSYXLBUMX-UHFFFAOYSA-N -2 0 341.307 2.053 20 0 EEADRL CC[C@@H](C)N(CC(=O)[O-])C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000909311499 786172634 /nfs/dbraw/zinc/17/26/34/786172634.db2.gz LIYBMBREMOFHSI-SNVBAGLBSA-N -2 0 335.335 2.042 20 0 EEADRL Cc1c(Cl)cccc1C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910182743 786515511 /nfs/dbraw/zinc/51/55/11/786515511.db2.gz JGTVEDIHKFUEHX-JOYOIKCWSA-N -2 0 325.748 2.038 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cc3ccccc3s2)C1 ZINC000910186613 786518498 /nfs/dbraw/zinc/51/84/98/786518498.db2.gz SJSIYYMDVLOOBD-MNOVXSKESA-N -2 0 333.365 2.291 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCc2cccc(Cl)c2)C1 ZINC000910187860 786520349 /nfs/dbraw/zinc/52/03/49/786520349.db2.gz HCMZNUHQMUPIHK-YPMHNXCESA-N -2 0 339.775 2.049 20 0 EEADRL CC1(C)COc2c(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)cnn2C1 ZINC001176239405 798391342 /nfs/dbraw/zinc/39/13/42/798391342.db2.gz WJOLILYIAZPXSN-UHFFFAOYSA-N -2 0 331.328 2.442 20 0 EEADRL CS(=O)(=O)c1ccccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176241266 798391751 /nfs/dbraw/zinc/39/17/51/798391751.db2.gz CYRFXIAGALSRRE-UHFFFAOYSA-N -2 0 335.337 2.230 20 0 EEADRL O=C([O-])c1cc(Nc2ccc3nc[nH]c(=O)c3c2)cc(C(=O)[O-])c1 ZINC001176241708 798392625 /nfs/dbraw/zinc/39/26/25/798392625.db2.gz SJLIDMNNTUXZHY-UHFFFAOYSA-N -2 0 325.280 2.475 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2ncc(Cl)cc2O)cc1C(=O)[O-] ZINC001184662728 802123513 /nfs/dbraw/zinc/12/35/13/802123513.db2.gz BSZHJHVWBXSMIK-UHFFFAOYSA-N -2 0 342.760 2.248 20 0 EEADRL O=P([O-])([O-])c1ccc(NCc2cccnc2N2CCCC2)cc1 ZINC001169859904 804151329 /nfs/dbraw/zinc/15/13/29/804151329.db2.gz TVJVIMQFRBLPHN-UHFFFAOYSA-N -2 0 333.328 2.097 20 0 EEADRL O=C([O-])COCC(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC001595108116 951896435 /nfs/dbraw/zinc/89/64/35/951896435.db2.gz JHXPWFPHNSNLFD-UHFFFAOYSA-N -2 0 328.535 2.392 20 0 EEADRL Cc1ccc(CSc2nc(NC(=O)[C@@H]3CC[C@H]3C(=O)[O-])n[nH]2)cc1 ZINC001574368407 961055046 /nfs/dbraw/zinc/05/50/46/961055046.db2.gz YDAVVCKPPMHSKG-VXGBXAGGSA-N -2 0 346.412 2.455 20 0 EEADRL CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1onc(C2CC2)c1Cl ZINC001588768291 961256153 /nfs/dbraw/zinc/25/61/53/961256153.db2.gz LZDAONUDDPTSNV-UHFFFAOYSA-N -2 0 336.797 2.127 20 0 EEADRL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cn2)cc1Cl ZINC000317160447 970333547 /nfs/dbraw/zinc/33/35/47/970333547.db2.gz SJVKAFWHMOGVBF-UHFFFAOYSA-N -2 0 337.744 2.106 20 0 EEADRL O=C([O-])CC[C@@H]1C[C@H](C(=O)Nc2ccc3[n-]c(=S)oc3c2)CO1 ZINC001606112082 973330136 /nfs/dbraw/zinc/33/01/36/973330136.db2.gz SPJPYMCEVSLIRL-WCBMZHEXSA-N -2 0 336.369 2.325 20 0 EEADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CC[C@@H]3C(=O)[O-])n2)cc1 ZINC001591943680 976482190 /nfs/dbraw/zinc/48/21/90/976482190.db2.gz POKUZZLZNQCEMD-CYBMUJFWSA-N -2 0 329.356 2.000 20 0 EEADRL CCC(CC)(CNC(=O)Nc1ccc(OCC(=O)[O-])cc1)C(=O)[O-] ZINC001595071308 979341581 /nfs/dbraw/zinc/34/15/81/979341581.db2.gz RIDNXHAWHQCEJJ-UHFFFAOYSA-N -2 0 338.360 2.163 20 0 EEADRL CCOc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C)n1 ZINC001597076890 986611850 /nfs/dbraw/zinc/61/18/50/986611850.db2.gz VBIZKSZNZVTVQX-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL CCc1csc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)n1 ZINC001597638571 988625257 /nfs/dbraw/zinc/62/52/57/988625257.db2.gz KRBHPTAYLXTAOZ-UHFFFAOYSA-N -2 0 330.362 2.344 20 0 EEADRL CC(C)(CS(=O)(=O)[N-][C@H](c1ccccc1)C(F)(F)F)C(=O)[O-] ZINC001590799327 990627707 /nfs/dbraw/zinc/62/77/07/990627707.db2.gz QETXACRNBOJCAY-SNVBAGLBSA-N -2 0 339.335 2.320 20 0 EEADRL C[C@@H]1CCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001594358055 999353951 /nfs/dbraw/zinc/35/39/51/999353951.db2.gz TYGROVBZXUGQMT-RKDXNWHRSA-N -2 0 331.415 2.078 20 0 EEADRL C[C@@H]1CCc2nc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)sc2C1 ZINC001594450282 999646713 /nfs/dbraw/zinc/64/67/13/999646713.db2.gz CZWKKCOCHRIRKD-SSDOTTSWSA-N -2 0 341.414 2.095 20 0 EEADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000274984056 539703155 /nfs/dbraw/zinc/70/31/55/539703155.db2.gz JYYORAJMOPICOM-IQJOONFLSA-N -2 0 339.335 2.319 20 0 EEADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000438808346 242051031 /nfs/dbraw/zinc/05/10/31/242051031.db2.gz UPIMTFSZKSOSRB-UHFFFAOYSA-N -3 0 339.300 2.023 20 0 EEADRL O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1ccc2n[nH]nc2c1 ZINC000191527551 256006266 /nfs/dbraw/zinc/00/62/66/256006266.db2.gz OVFSLLMQTUVJLK-AWEZNQCLSA-N -2 0 338.367 2.164 20 0 EEADRL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000111278852 142355789 /nfs/dbraw/zinc/35/57/89/142355789.db2.gz FTPNUPRJIQRXEZ-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL Cc1cc2c(cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)OCO2 ZINC000357700284 153295876 /nfs/dbraw/zinc/29/58/76/153295876.db2.gz WLWWRYRPFLDXOV-UHFFFAOYSA-N -2 0 341.366 2.284 20 0 EEADRL COC(=O)c1csc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c1 ZINC000355069675 163071015 /nfs/dbraw/zinc/07/10/15/163071015.db2.gz ZXFHBFBSWWBODJ-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2C(=O)[O-])cn1 ZINC000350894062 465033744 /nfs/dbraw/zinc/03/37/44/465033744.db2.gz HBCXZACCLUNHAY-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000336852377 465051866 /nfs/dbraw/zinc/05/18/66/465051866.db2.gz PGCUHGFPJJMFAT-UHFFFAOYSA-N -2 0 325.342 2.486 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(Cl)cnc1N ZINC000339073244 465066649 /nfs/dbraw/zinc/06/66/49/465066649.db2.gz VGJYLXQLWGYXBA-UHFFFAOYSA-N -2 0 341.776 2.125 20 0 EEADRL COc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC)c1 ZINC000096744475 463298260 /nfs/dbraw/zinc/29/82/60/463298260.db2.gz COOVTZPBLOUTQR-UHFFFAOYSA-N -2 0 337.353 2.203 20 0 EEADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000032596966 463383569 /nfs/dbraw/zinc/38/35/69/463383569.db2.gz RLLADJLIFJAVPP-UHFFFAOYSA-N -3 0 341.366 2.254 20 0 EEADRL CC(C)c1nn(C)cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000280996634 464293113 /nfs/dbraw/zinc/29/31/13/464293113.db2.gz NINNCQPOLNXFAD-UHFFFAOYSA-N -2 0 329.403 2.104 20 0 EEADRL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n[nH]1 ZINC000362591930 465860564 /nfs/dbraw/zinc/86/05/64/465860564.db2.gz LXAVBYDGHMBUHN-UHFFFAOYSA-N -2 0 346.368 2.212 20 0 EEADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2cncc(F)c2)cc1)C(=O)[O-] ZINC000350728689 466590721 /nfs/dbraw/zinc/59/07/21/466590721.db2.gz DVQHMPCCWAAVLY-SNVBAGLBSA-N -2 0 338.360 2.285 20 0 EEADRL Cc1noc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000489695681 468160728 /nfs/dbraw/zinc/16/07/28/468160728.db2.gz GMWLWMURZOIEOX-UHFFFAOYSA-N -2 0 330.749 2.444 20 0 EEADRL CC(C)[C@@H](CNC(=O)N=c1nc(-c2ccccc2)[n-]s1)C(=O)[O-] ZINC000653536076 471656258 /nfs/dbraw/zinc/65/62/58/471656258.db2.gz LYXPKYIEQCFURE-LLVKDONJSA-N -2 0 334.401 2.105 20 0 EEADRL O=C([O-])CCC1CCN(C(=O)c2nn(-c3ccccc3)cc2[O-])CC1 ZINC000663129132 472367799 /nfs/dbraw/zinc/36/77/99/472367799.db2.gz PEEKPAMSIGDPFF-UHFFFAOYSA-N -2 0 343.383 2.295 20 0 EEADRL Cc1cc(C(=O)Nc2ncc(Cl)s2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000674932352 485870571 /nfs/dbraw/zinc/87/05/71/485870571.db2.gz KKCGHJCWUJPJJY-UHFFFAOYSA-N -2 0 337.748 2.107 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000738038941 576254677 /nfs/dbraw/zinc/25/46/77/576254677.db2.gz KHFXZOJOPCKYCS-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL Cc1cccc(O)c1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000776747352 577467035 /nfs/dbraw/zinc/46/70/35/577467035.db2.gz CFEYGKVKPJFLNN-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL CCC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000736971139 578231844 /nfs/dbraw/zinc/23/18/44/578231844.db2.gz QZSOHGULEYOYMP-ZDUSSCGKSA-N -2 0 333.450 2.294 20 0 EEADRL COc1c(F)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1F ZINC000737840336 578270719 /nfs/dbraw/zinc/27/07/19/578270719.db2.gz SDKHEIVDGZQFJG-UHFFFAOYSA-N -2 0 333.268 2.065 20 0 EEADRL C[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000828233219 600943480 /nfs/dbraw/zinc/94/34/80/600943480.db2.gz MPWHYSMFWDBRIF-FZMZJTMJSA-N -2 0 339.413 2.157 20 0 EEADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000831945531 601149993 /nfs/dbraw/zinc/14/99/93/601149993.db2.gz JUHRLXNZXNFJBC-UHFFFAOYSA-N -2 0 331.346 2.395 20 0 EEADRL CCc1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)sc1C ZINC000830319093 601229074 /nfs/dbraw/zinc/22/90/74/601229074.db2.gz ZQCOAGAEHCOFNP-UHFFFAOYSA-N -2 0 330.387 2.414 20 0 EEADRL CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1 ZINC000825917822 601230808 /nfs/dbraw/zinc/23/08/08/601230808.db2.gz XNNKTSIAAFDMFV-UHFFFAOYSA-N -2 0 338.341 2.045 20 0 EEADRL COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000832265827 601231243 /nfs/dbraw/zinc/23/12/43/601231243.db2.gz SXZFLPDPGXRBNA-UHFFFAOYSA-N -2 0 325.342 2.404 20 0 EEADRL CCc1cccc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)c1 ZINC000830270702 601338522 /nfs/dbraw/zinc/33/85/22/601338522.db2.gz YJDFVETUXXVEEF-UHFFFAOYSA-N -2 0 326.399 2.133 20 0 EEADRL COc1ccc(C)nc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000832266368 601362754 /nfs/dbraw/zinc/36/27/54/601362754.db2.gz ZTVVPRVTDROOPR-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(Cl)nc1 ZINC000833345550 601385320 /nfs/dbraw/zinc/38/53/20/601385320.db2.gz YQSFMWSGJAZJSJ-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1nnc(C2CC2)s1 ZINC000832852642 601502781 /nfs/dbraw/zinc/50/27/81/601502781.db2.gz DJOOCBGYKCBCIQ-UHFFFAOYSA-N -2 0 339.398 2.223 20 0 EEADRL CSc1ccncc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000832790622 601577424 /nfs/dbraw/zinc/57/74/24/601577424.db2.gz OZTQOLIFYFMUQA-UHFFFAOYSA-N -2 0 330.412 2.364 20 0 EEADRL C[C@@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000828221659 602384911 /nfs/dbraw/zinc/38/49/11/602384911.db2.gz UYNCPFMJOMYYAY-RKDXNWHRSA-N -2 0 331.415 2.078 20 0 EEADRL C[C@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000828221446 602384877 /nfs/dbraw/zinc/38/48/77/602384877.db2.gz PDKYOCKEDVCQGH-QWRGUYRKSA-N -2 0 325.386 2.016 20 0 EEADRL COc1ccsc1S(=O)(=O)[N-]c1nc(CCC(=O)[O-])cs1 ZINC000832643246 604625142 /nfs/dbraw/zinc/62/51/42/604625142.db2.gz XMQAIFAQOLERLS-UHFFFAOYSA-N -2 0 348.427 2.031 20 0 EEADRL CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC000833636704 604690098 /nfs/dbraw/zinc/69/00/98/604690098.db2.gz ZTKPCPHYFCSPKF-UHFFFAOYSA-N -2 0 334.353 2.173 20 0 EEADRL CCC[C@@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])C(C)C ZINC000833648413 605053522 /nfs/dbraw/zinc/05/35/22/605053522.db2.gz SDUCDLLHHAQLHI-SECBINFHSA-N -2 0 333.431 2.324 20 0 EEADRL CCO[C@@H]1C[C@@](NC(=O)c2ccc([O-])c(Cl)c2)(C(=O)[O-])C1(C)C ZINC000909599102 686952185 /nfs/dbraw/zinc/95/21/85/686952185.db2.gz BYEIIWVXQGBBIQ-MLGOLLRUSA-N -2 0 341.791 2.434 20 0 EEADRL Cc1cc(C(=O)[O-])cc(C(=O)[N-]S(=O)(=O)CC2CCCCC2)c1 ZINC000863954303 1197936726 /nfs/dbraw/zinc/93/67/26/1197936726.db2.gz VNGXPRQFQVFTEP-UHFFFAOYSA-N -2 0 339.413 2.333 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cn(C2CCC2)cn1 ZINC001185879994 1278848278 /nfs/dbraw/zinc/84/82/78/1278848278.db2.gz YBHANHKCAVIPBA-UHFFFAOYSA-N -2 0 335.385 2.416 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ncc2O)ccc1F ZINC001186151091 1278975399 /nfs/dbraw/zinc/97/53/99/1278975399.db2.gz SUKXAMYBENNFPZ-UHFFFAOYSA-N -2 0 346.723 2.079 20 0 EEADRL COc1cc(Br)c(O)c(NS(=O)(=O)C2CCC2)c1 ZINC001188136892 1279773413 /nfs/dbraw/zinc/77/34/13/1279773413.db2.gz IMQXFJQSGAIEPK-UHFFFAOYSA-N -2 0 336.207 2.458 20 0 EEADRL Cc1cnc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(C)n1 ZINC001188276776 1279825396 /nfs/dbraw/zinc/82/53/96/1279825396.db2.gz IWRNYEPDFYLTKR-UHFFFAOYSA-N -2 0 341.776 2.246 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2cc(CC)no2)cc1C(=O)[O-] ZINC001192609256 1282076208 /nfs/dbraw/zinc/07/62/08/1282076208.db2.gz YSYAENHWZXWFMU-UHFFFAOYSA-N -2 0 340.357 2.135 20 0 EEADRL CC(C)Oc1cc(S(=O)(=O)[O-])cc2cccc(S(=O)(=O)[O-])c21 ZINC001227552168 1301882458 /nfs/dbraw/zinc/88/24/58/1301882458.db2.gz ZWMGBFQJMQXNOS-UHFFFAOYSA-N -2 0 346.382 2.120 20 0 EEADRL COCc1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc(SC)n1 ZINC001242159126 1309621123 /nfs/dbraw/zinc/62/11/23/1309621123.db2.gz HSZWAPMCFHAIFS-UHFFFAOYSA-N -2 0 334.353 2.408 20 0 EEADRL O=P([O-])([O-])OCCNc1nc2c(Cl)cccc2nc1Cl ZINC001157796155 1318867382 /nfs/dbraw/zinc/86/73/82/1318867382.db2.gz YLMFETJKCCBXTD-UHFFFAOYSA-N -2 0 338.087 2.458 20 0 EEADRL COC(=O)c1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cs1 ZINC001260183606 1319817763 /nfs/dbraw/zinc/81/77/63/1319817763.db2.gz WCIWYDWIPXXPAL-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL COc1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)ccc1[S-] ZINC001260190738 1319821785 /nfs/dbraw/zinc/82/17/85/1319821785.db2.gz CGGRNMDBZFKBQQ-UHFFFAOYSA-N -2 0 339.394 2.483 20 0 EEADRL Cc1nc2sccc2c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC001260221600 1319835805 /nfs/dbraw/zinc/83/58/05/1319835805.db2.gz YHSAHEUAFUWSRZ-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL O=C([O-])[C@H](CC1CCCCC1)NS(=O)(=O)c1ccccc1[O-] ZINC001608530990 1351710880 /nfs/dbraw/zinc/71/08/80/1351710880.db2.gz AJRMERHAPCJUIA-LBPRGKRZSA-N -2 0 327.402 2.094 20 0 EEADRL CC(C)(CCC(=O)[O-])NC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001603593167 1350726078 /nfs/dbraw/zinc/72/60/78/1350726078.db2.gz PJJMDFKRTOLTNB-UHFFFAOYSA-N -2 0 330.287 2.428 20 0 EEADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001605209163 1351104556 /nfs/dbraw/zinc/10/45/56/1351104556.db2.gz ZWYDMWJWIWDJTL-JQRITLKVSA-N -2 0 345.461 2.294 20 0 EEADRL O=C([O-])/C=C\c1ccc(S(=O)(=O)[N-]c2ccnn2C2CC2)cc1 ZINC001608662988 1351737124 /nfs/dbraw/zinc/73/71/24/1351737124.db2.gz NRQANUWLUXBEBN-BAQGIRSFSA-N -2 0 333.369 2.117 20 0 EEADRL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1cnn(C2CCC2)c1 ZINC001608851185 1351778624 /nfs/dbraw/zinc/77/86/24/1351778624.db2.gz NJXNPKNGMWDFRB-UHFFFAOYSA-N -2 0 339.348 2.246 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1F ZINC001608913648 1351793020 /nfs/dbraw/zinc/79/30/20/1351793020.db2.gz OQNGIOXEFPYINH-UHFFFAOYSA-N -2 0 347.327 2.268 20 0 EEADRL O=C([O-])c1cccnc1N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001608950242 1351801442 /nfs/dbraw/zinc/80/14/42/1351801442.db2.gz FASGMLUJCDOAEK-QWHCGFSZSA-N -2 0 348.305 2.363 20 0 EEADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C2CCC2)cc1 ZINC001609638376 1352047803 /nfs/dbraw/zinc/04/78/03/1352047803.db2.gz DZLDOPYRKSEVDX-QWRGUYRKSA-N -2 0 339.413 2.123 20 0 EEADRL CCc1onc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001610080216 1352158112 /nfs/dbraw/zinc/15/81/12/1352158112.db2.gz SBGFZYAJUWWBSQ-UHFFFAOYSA-N -2 0 346.311 2.323 20 0 EEADRL Cc1c(NC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)ccc(F)c1C(=O)[O-] ZINC001610421041 1352220028 /nfs/dbraw/zinc/22/00/28/1352220028.db2.gz LLZWMROTYNAUMJ-WPRPVWTQSA-N -2 0 338.335 2.407 20 0 EEADRL Cc1cc(C)c(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)s1 ZINC001610452101 1352224481 /nfs/dbraw/zinc/22/44/81/1352224481.db2.gz ALVCGJUZJAIAPU-WDEREUQCSA-N -2 0 345.442 2.061 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)c1cccc(C)c1C ZINC001610519340 1352237277 /nfs/dbraw/zinc/23/72/77/1352237277.db2.gz WYYAMNLNBGKBRH-UHFFFAOYSA-N -2 0 337.353 2.022 20 0 EEADRL Cc1ccccc1S(=O)(=O)[N-]c1nc2c(cccc2C(=O)[O-])[nH]1 ZINC001610533567 1352240224 /nfs/dbraw/zinc/24/02/24/1352240224.db2.gz XPGUDDYOGHMQEU-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)NCCC(=O)[O-] ZINC001600067805 1349965005 /nfs/dbraw/zinc/96/50/05/1349965005.db2.gz HVBKQUWYEZVEAM-UHFFFAOYSA-N -2 0 345.149 2.052 20 0 EEADRL Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cnn(C3CCC3)c2)s1 ZINC001600104338 1349971800 /nfs/dbraw/zinc/97/18/00/1349971800.db2.gz OUHRIPGIMVUYAF-UHFFFAOYSA-N -2 0 341.414 2.477 20 0 EEADRL Cc1cc(OCC(=O)[O-])ccc1NC(=O)CC1(C(=O)[O-])CCCC1 ZINC001600289161 1350012229 /nfs/dbraw/zinc/01/22/29/1350012229.db2.gz OXTLPUZDCWCAFI-UHFFFAOYSA-N -2 0 335.356 2.432 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])s2)sc1C ZINC001600296896 1350013368 /nfs/dbraw/zinc/01/33/68/1350013368.db2.gz IAHZVVVNFZTWGR-UHFFFAOYSA-N -2 0 345.423 2.243 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cccnc2OC(C)C)oc1C(=O)[O-] ZINC001600301454 1350015397 /nfs/dbraw/zinc/01/53/97/1350015397.db2.gz JHHKCEADNRHZNG-UHFFFAOYSA-N -2 0 340.357 2.269 20 0 EEADRL Cc1ccc(N(C)Cc2nc(=O)c3sccc3[n-]2)nc1C(=O)[O-] ZINC001600432801 1350049762 /nfs/dbraw/zinc/04/97/62/1350049762.db2.gz NSCIHAJMCYOFCS-UHFFFAOYSA-N -2 0 330.369 2.435 20 0 EEADRL Cc1nc(N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)ccc1C(=O)[O-] ZINC001600710888 1350119419 /nfs/dbraw/zinc/11/94/19/1350119419.db2.gz UQVQQKNSDGLCOH-CABCVRRESA-N -2 0 326.352 2.393 20 0 EEADRL O=C([O-])[C@H](NC(=O)c1cccc(C(F)(F)F)c1[O-])C1CCOCC1 ZINC001601394103 1350272834 /nfs/dbraw/zinc/27/28/34/1350272834.db2.gz GQDYYRUGKCWYQW-LLVKDONJSA-N -2 0 347.289 2.021 20 0 EEADRL O=C([O-])C1CC2(C1)CN(C(=O)c1coc3ccccc13)C[C@H]2C(=O)[O-] ZINC001601779203 1350362707 /nfs/dbraw/zinc/36/27/07/1350362707.db2.gz FUFDZNVSKDHBAM-GHIVCGBISA-N -2 0 343.335 2.070 20 0 EEADRL O=C([O-])C1CC2(C1)CN(C(=O)C1CC3(C1)CCCCC3)C[C@H]2C(=O)[O-] ZINC001601783001 1350363877 /nfs/dbraw/zinc/36/38/77/1350363877.db2.gz RKGGSSSUKYJDFV-BIWSTMPVSA-N -2 0 349.427 2.371 20 0 EEADRL O=C([O-])[C@@H]1CCc2sc([N-]S(=O)(=O)c3cccs3)nc2C1 ZINC001601840163 1350377576 /nfs/dbraw/zinc/37/75/76/1350377576.db2.gz KRZVXGXQHHJMKB-SSDOTTSWSA-N -2 0 344.439 2.195 20 0 EEADRL O=C([O-])/C=C\c1ccc(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)cc1 ZINC001601884868 1350390456 /nfs/dbraw/zinc/39/04/56/1350390456.db2.gz NPCRFNPWBTULCH-TWGQIWQCSA-N -2 0 347.396 2.118 20 0 EEADRL O=C([O-])CC[C@@H]1CCCCN1C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001601975086 1350408679 /nfs/dbraw/zinc/40/86/79/1350408679.db2.gz TUCITVGYLOGVBZ-JTQLQIEISA-N -2 0 340.401 2.375 20 0 EEADRL O=C([O-])CCN(CC(=O)[O-])Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC001602004654 1350416417 /nfs/dbraw/zinc/41/64/17/1350416417.db2.gz KLGRKUGWJWAGKI-UHFFFAOYSA-N -2 0 338.747 2.356 20 0 EEADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cc3c(cn2)CCC3)c1 ZINC001602273950 1350483123 /nfs/dbraw/zinc/48/31/23/1350483123.db2.gz DRBKFNICXZEHRL-UHFFFAOYSA-N -2 0 336.344 2.208 20 0 EEADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2cnc3ccccc3c2)c1 ZINC001602483224 1350529724 /nfs/dbraw/zinc/52/97/24/1350529724.db2.gz IMTDSKJNSUOJNI-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL O=C([O-])/C(=C/c1cc(C(=O)[O-])c(Cl)s1)CN1CCC(=O)CC1 ZINC001602647247 1350565183 /nfs/dbraw/zinc/56/51/83/1350565183.db2.gz YSGDNOGGUUXDIL-VMPITWQZSA-N -2 0 343.788 2.233 20 0 EEADRL CC(C)n1cc(S(=O)(=O)[N-]c2ccc([C@@H](C)C(=O)[O-])cc2)cn1 ZINC001603212702 1350663339 /nfs/dbraw/zinc/66/33/39/1350663339.db2.gz CCEWPWZJASLHBT-LLVKDONJSA-N -2 0 337.401 2.453 20 0 EEADRL CC(C)(C(=O)[O-])c1ccc(S(=O)(=O)[N-]c2cccc(F)n2)cc1 ZINC001603273694 1350677384 /nfs/dbraw/zinc/67/73/84/1350677384.db2.gz AQTIILGZHGZURY-UHFFFAOYSA-N -2 0 338.360 2.384 20 0 EEADRL CC(C)(C)n1nccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC001603568934 1350721457 /nfs/dbraw/zinc/72/14/57/1350721457.db2.gz OIKAFJMDUYLIIU-UHFFFAOYSA-N -2 0 337.401 2.066 20 0 EEADRL C[C@H](Cc1ccc(NC(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1)C(=O)[O-] ZINC001604225330 1350897646 /nfs/dbraw/zinc/89/76/46/1350897646.db2.gz UVTQSLVLLHECQZ-DIFFPNOSSA-N -2 0 334.372 2.278 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2n[nH]cc2c1 ZINC001605885477 1351246816 /nfs/dbraw/zinc/24/68/16/1351246816.db2.gz SFQXIBYPHWCJKC-UHFFFAOYSA-N -2 0 335.341 2.217 20 0 EEADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1cc(C2CC2)nn1C ZINC001607522689 1351510143 /nfs/dbraw/zinc/51/01/43/1351510143.db2.gz JZZDJQYGLRQQMN-UHFFFAOYSA-N -2 0 341.414 2.166 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2cc3[nH]ccc3c(C(=O)[O-])c2)s1 ZINC001607984583 1351597837 /nfs/dbraw/zinc/59/78/37/1351597837.db2.gz FFLHYKXHZGUULZ-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2ccc3scnc3c2)cc1C(=O)[O-] ZINC001607984986 1351597922 /nfs/dbraw/zinc/59/79/22/1351597922.db2.gz KXQPRZGIBTYZKL-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL Cc1oc(CN(C)Cc2c([O-])nnn2-c2ccccc2)cc1C(=O)[O-] ZINC001608046194 1351613119 /nfs/dbraw/zinc/61/31/19/1351613119.db2.gz RYAZXQMPYNINHB-UHFFFAOYSA-N -2 0 342.355 2.205 20 0 EEADRL CSCC[C@H](NC(=O)c1ccc2ccccc2c1O)c1nnn[n-]1 ZINC001629931659 1352560529 /nfs/dbraw/zinc/56/05/29/1352560529.db2.gz NPGPGJRHZZTWBW-ZDUSSCGKSA-N -2 0 343.412 2.283 20 0 EEADRL O=C(Nc1ccc2ccc(S(=O)(=O)[O-])cc2c1)c1ccncc1[O-] ZINC001188637306 1368309939 /nfs/dbraw/zinc/30/99/39/1368309939.db2.gz VULKVYABVPTUCD-UHFFFAOYSA-N -2 0 344.348 2.439 20 0 EEADRL CC(C)(C)c1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])s1 ZINC000910184646 786516896 /nfs/dbraw/zinc/51/68/96/786516896.db2.gz QXMBTLGOTCDJKK-ZJUUUORDSA-N -2 0 339.413 2.436 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c(O)c1 ZINC000785491409 806501373 /nfs/dbraw/zinc/50/13/73/806501373.db2.gz WTIFBNKWUDKHBE-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL Nc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)cc1Cl ZINC001174807860 797896418 /nfs/dbraw/zinc/89/64/18/797896418.db2.gz PKMNGZLLBZWZFC-UHFFFAOYSA-N -2 0 332.790 2.483 20 0 EEADRL O=C([O-])C=Cc1ccc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)cc1 ZINC000324437723 971120591 /nfs/dbraw/zinc/12/05/91/971120591.db2.gz DNPCGBMESDFMER-TWGQIWQCSA-N -2 0 343.364 2.462 20 0 EEADRL O=C([O-])CC[C@@H]1C[C@@H](C(=O)Nc2cc(F)cc(Cl)c2[O-])CO1 ZINC001595003590 951168420 /nfs/dbraw/zinc/16/84/20/951168420.db2.gz FOSHARJNFRGSAZ-VXNVDRBHSA-N -2 0 331.727 2.393 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC000389250278 972214472 /nfs/dbraw/zinc/21/44/72/972214472.db2.gz BJKBSGKEOXBVBF-UHFFFAOYSA-N -2 0 341.366 2.284 20 0 EEADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(OCC(=O)[O-])c2)c1 ZINC000321292027 970758585 /nfs/dbraw/zinc/75/85/85/970758585.db2.gz KLUZBVUJHITYIC-UHFFFAOYSA-N -2 0 339.344 2.398 20 0 EEADRL C[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(Br)cc(F)c2[O-])C1 ZINC001603301390 972578603 /nfs/dbraw/zinc/57/86/03/972578603.db2.gz UBJWWAJPKFVMLH-CYBMUJFWSA-N -2 0 346.152 2.231 20 0 EEADRL O=C([O-])[C@@H](C(=O)[N-]OCc1ccc(F)cc1Br)C1CC1 ZINC001605901003 972730312 /nfs/dbraw/zinc/73/03/12/972730312.db2.gz LSSHMCDMDLJCCA-LLVKDONJSA-N -2 0 346.152 2.247 20 0 EEADRL C[C@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2c(Cl)cnn2C)cc1 ZINC000396342592 972855519 /nfs/dbraw/zinc/85/55/19/972855519.db2.gz ABHIFLQZFSRFLO-QMMMGPOBSA-N -2 0 343.792 2.062 20 0 EEADRL C[C@H](CC(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1)c1ccccc1 ZINC001592227002 977422676 /nfs/dbraw/zinc/42/26/76/977422676.db2.gz KIWKIGJZVUYSLR-SDCIJKEOSA-N -2 0 345.395 2.204 20 0 EEADRL CC(C)[C@H](CNC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1)C(=O)[O-] ZINC001592866988 979713186 /nfs/dbraw/zinc/71/31/86/979713186.db2.gz NIGHKAVQZGLFSD-FZMZJTMJSA-N -2 0 336.388 2.428 20 0 EEADRL CCO[C@H]1C[C@@](NC(=O)c2cccc(Cl)c2[O-])(C(=O)[O-])C1(C)C ZINC001596826819 985435720 /nfs/dbraw/zinc/43/57/20/985435720.db2.gz FNIXYZKYKSQTBO-MEDUHNTESA-N -2 0 341.791 2.434 20 0 EEADRL CCOc1ccncc1S(=O)(=O)[N-]c1cc(C(=O)[O-])sc1C ZINC001597185586 987049004 /nfs/dbraw/zinc/04/90/04/987049004.db2.gz BGKOUMVQOVRKOD-UHFFFAOYSA-N -2 0 342.398 2.349 20 0 EEADRL CCc1cc([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])no1 ZINC001597482736 987982422 /nfs/dbraw/zinc/98/24/22/987982422.db2.gz XFJFMAUKSLNAPO-UHFFFAOYSA-N -2 0 347.352 2.284 20 0 EEADRL CCc1nc([N-]S(=O)(=O)c2cc(C)oc2C)sc1C(=O)[O-] ZINC001597685578 988837991 /nfs/dbraw/zinc/83/79/91/988837991.db2.gz RVWDCNUZZRJJKI-UHFFFAOYSA-N -2 0 330.387 2.414 20 0 EEADRL CC(C)C[C@H](CNC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)C(=O)[O-] ZINC001591149144 991887279 /nfs/dbraw/zinc/88/72/79/991887279.db2.gz CBNHMPQGAMUSKY-CQSZACIVSA-N -2 0 336.388 2.273 20 0 EEADRL CC1(C(=O)[O-])CCN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1 ZINC001593790225 996506315 /nfs/dbraw/zinc/50/63/15/996506315.db2.gz VHOJZZZEZUTTSV-UHFFFAOYSA-N -2 0 334.372 2.422 20 0 EEADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C)ccc1O ZINC001599383246 996896172 /nfs/dbraw/zinc/89/61/72/996896172.db2.gz WYMMXBVAGDCMKU-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL Cc1cc(C(=O)N(C)CCC2CCCCC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000155610432 206020717 /nfs/dbraw/zinc/02/07/17/206020717.db2.gz GHLHJUJVELEQTI-UHFFFAOYSA-N -2 0 344.415 2.375 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000267309004 256047654 /nfs/dbraw/zinc/04/76/54/256047654.db2.gz AEDPDDBTGJBQEA-UHFFFAOYSA-N -2 0 337.401 2.347 20 0 EEADRL Cc1nc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c[nH]1 ZINC000120314084 142385040 /nfs/dbraw/zinc/38/50/40/142385040.db2.gz IZZYVAMYXGPOOW-UHFFFAOYSA-N -2 0 349.290 2.236 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2O)cc1C(=O)[O-] ZINC000356039855 153257879 /nfs/dbraw/zinc/25/78/79/153257879.db2.gz WBZJVGSHYGKAPR-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c2n[nH]cc21 ZINC000345505651 161306810 /nfs/dbraw/zinc/30/68/10/161306810.db2.gz NBBKKFGHKIBJOF-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL CCCc1ccc([N-]S(=O)(=O)c2cn(C)nc2C)c(C(=O)[O-])c1 ZINC000352440136 162136620 /nfs/dbraw/zinc/13/66/20/162136620.db2.gz ZTKZXRFAKFZASI-UHFFFAOYSA-N -2 0 337.401 2.180 20 0 EEADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cc(C)cc(C)c1C(=O)[O-] ZINC000359031602 164041698 /nfs/dbraw/zinc/04/16/98/164041698.db2.gz AMLCBYRRZNPEDY-UHFFFAOYSA-N -2 0 337.401 2.153 20 0 EEADRL CCc1ncc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)s1 ZINC000359085509 164054790 /nfs/dbraw/zinc/05/47/90/164054790.db2.gz KWAFIZBDTHFMOH-UHFFFAOYSA-N -2 0 330.362 2.344 20 0 EEADRL CCc1ncc(S(=O)(=O)[N-]c2cc(OC)ccc2C(=O)[O-])s1 ZINC000359109797 164061868 /nfs/dbraw/zinc/06/18/68/164061868.db2.gz XIAPTLFTFFCYJV-UHFFFAOYSA-N -2 0 342.398 2.213 20 0 EEADRL C[C@H]1Cc2ccccc2N(S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])C1 ZINC000433524779 314780392 /nfs/dbraw/zinc/78/03/92/314780392.db2.gz LIZIWLBKRVCZTH-NSHDSACASA-N -2 0 347.392 2.478 20 0 EEADRL Cc1cscc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1 ZINC000439038195 315064947 /nfs/dbraw/zinc/06/49/47/315064947.db2.gz CXWCSXHYDWBEMG-UHFFFAOYSA-N -2 0 345.373 2.460 20 0 EEADRL Cc1cc(C)cc([C@@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-])c1 ZINC000547585551 318301248 /nfs/dbraw/zinc/30/12/48/318301248.db2.gz SBYRQIYYXLZOSA-GXSJLCMTSA-N -2 0 339.335 2.299 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)[O-])cn1 ZINC000548198401 318364466 /nfs/dbraw/zinc/36/44/66/318364466.db2.gz NUQTZVLMXUNMEC-UHFFFAOYSA-N -2 0 329.765 2.055 20 0 EEADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1OC ZINC000096744474 463298388 /nfs/dbraw/zinc/29/83/88/463298388.db2.gz MZFYKEVYULMQTD-UHFFFAOYSA-N -2 0 337.353 2.203 20 0 EEADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@@H]3C(=O)[O-])n2)cc1 ZINC000236859069 464231613 /nfs/dbraw/zinc/23/16/13/464231613.db2.gz IAGRXZPFQACNBL-CQSZACIVSA-N -2 0 343.383 2.391 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc2c1OCO2 ZINC000359862065 465497187 /nfs/dbraw/zinc/49/71/87/465497187.db2.gz ZPGFATPEMJBNLY-UHFFFAOYSA-N -2 0 335.337 2.223 20 0 EEADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1cccc2c1OCO2 ZINC000337776733 465572730 /nfs/dbraw/zinc/57/27/30/465572730.db2.gz YCKOAJBGZFQUKL-UHFFFAOYSA-N -2 0 339.300 2.053 20 0 EEADRL COc1ccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cc1F ZINC000353810437 466167361 /nfs/dbraw/zinc/16/73/61/466167361.db2.gz NRXFOWOWWHZLJB-UHFFFAOYSA-N -2 0 344.302 2.144 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)cc1C ZINC000319677337 466598760 /nfs/dbraw/zinc/59/87/60/466598760.db2.gz ACVNDOYLCFGRJC-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c(O)c1 ZINC000319842762 466600294 /nfs/dbraw/zinc/60/02/94/466600294.db2.gz SCVXWUFGBJVXSK-UHFFFAOYSA-N -2 0 347.270 2.309 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC3=O)cc1C(=O)[O-] ZINC000451078205 467242078 /nfs/dbraw/zinc/24/20/78/467242078.db2.gz LWSIEJUFOITOHR-UHFFFAOYSA-N -2 0 348.380 2.043 20 0 EEADRL COC(C)(C)c1nc(=NC(=O)c2ccc([O-])c(Cl)c2)s[n-]1 ZINC000634154112 470226000 /nfs/dbraw/zinc/22/60/00/470226000.db2.gz ZJMJXOWAWKSEMP-UHFFFAOYSA-N -2 0 327.793 2.453 20 0 EEADRL O=C([O-])C1CCN(C(=O)c2cccc(Br)c2[O-])CC1 ZINC000738545154 576567694 /nfs/dbraw/zinc/56/76/94/576567694.db2.gz UBGJWJMYOMPUOA-UHFFFAOYSA-N -2 0 328.162 2.092 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccnn2C2CCCC2)cc1 ZINC000738690312 578023930 /nfs/dbraw/zinc/02/39/30/578023930.db2.gz WLZNXXDGWMJZQC-UHFFFAOYSA-N -2 0 335.385 2.497 20 0 EEADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc3ccccc3c2)c1C(=O)[O-] ZINC000738827002 578027976 /nfs/dbraw/zinc/02/79/76/578027976.db2.gz DDEVFFKNKSKFQG-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL O=C([O-])c1ccc(N2CCCC2)c([N-]S(=O)(=O)c2cccnc2)c1 ZINC000740143155 578082653 /nfs/dbraw/zinc/08/26/53/578082653.db2.gz FFZTWKFIJLXUGE-UHFFFAOYSA-N -2 0 347.396 2.181 20 0 EEADRL CC[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)C(C)C ZINC000736892295 578228383 /nfs/dbraw/zinc/22/83/83/578228383.db2.gz NNLIDEHMKMBTCR-SECBINFHSA-N -2 0 333.431 2.324 20 0 EEADRL CCCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)cc1 ZINC000321830501 600982320 /nfs/dbraw/zinc/98/23/20/600982320.db2.gz GHSCENRCTJNBHR-UHFFFAOYSA-N -2 0 336.369 2.369 20 0 EEADRL CCc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)n(C)n1 ZINC000830224917 600982603 /nfs/dbraw/zinc/98/26/03/600982603.db2.gz XRMSYCFUSPSGOD-UHFFFAOYSA-N -2 0 343.792 2.135 20 0 EEADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1nc(C)cs1 ZINC000831950854 601200919 /nfs/dbraw/zinc/20/09/19/601200919.db2.gz XSEZOWWEKRGRNL-UHFFFAOYSA-N -2 0 334.400 2.021 20 0 EEADRL Cn1cc(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])cc1C(=O)[O-] ZINC000833050076 601761015 /nfs/dbraw/zinc/76/10/15/601761015.db2.gz FHMYCVKQRMYGJI-UHFFFAOYSA-N -2 0 344.302 2.006 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c2cccnc12 ZINC000832419566 604621743 /nfs/dbraw/zinc/62/17/43/604621743.db2.gz NDEKTFZQAOGRLE-UHFFFAOYSA-N -2 0 348.336 2.335 20 0 EEADRL CCCCn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1C ZINC000829446755 604793045 /nfs/dbraw/zinc/79/30/45/604793045.db2.gz FMNIUQQOQPEKBR-UHFFFAOYSA-N -2 0 341.389 2.392 20 0 EEADRL CC1(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)CCCC1 ZINC000833553832 605118932 /nfs/dbraw/zinc/11/89/32/605118932.db2.gz ZVDGUJYQJWWDAC-UHFFFAOYSA-N -2 0 345.804 2.423 20 0 EEADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000833741214 605126441 /nfs/dbraw/zinc/12/64/41/605126441.db2.gz BWUPCSQENIZFHP-UHFFFAOYSA-N -3 0 347.395 2.315 20 0 EEADRL CC(C)n1cnc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000833513204 605185587 /nfs/dbraw/zinc/18/55/87/605185587.db2.gz DIGUXLJBQSNCNI-UHFFFAOYSA-N -2 0 345.327 2.241 20 0 EEADRL C[C@@H](CC(F)(F)F)NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000235071614 678494504 /nfs/dbraw/zinc/49/45/04/678494504.db2.gz YSXDUXNOVCCUAW-LURJTMIESA-N -2 0 329.271 2.143 20 0 EEADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000863957009 1197936665 /nfs/dbraw/zinc/93/66/65/1197936665.db2.gz RGEFGOFOMCGSLQ-NSHDSACASA-N -2 0 347.820 2.033 20 0 EEADRL CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc(Cl)cc(Cl)c2[O-])C1=O ZINC000935749769 1208213031 /nfs/dbraw/zinc/21/30/31/1208213031.db2.gz IDNRJMAEMGWCCG-CYBMUJFWSA-N -2 0 346.170 2.064 20 0 EEADRL O=C(N=c1cn[n-]s1)N[N-]C(=O)c1c(Cl)cccc1Cl ZINC000192346895 1210507519 /nfs/dbraw/zinc/50/75/19/1210507519.db2.gz ISBGHTANSYDUQA-UHFFFAOYSA-N -2 0 332.172 2.311 20 0 EEADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H](CC1CCCCC1)C(=O)[O-] ZINC000800920540 1234810621 /nfs/dbraw/zinc/81/06/21/1234810621.db2.gz MZRGSPVHCFNMBS-WCBMZHEXSA-N -2 0 331.356 2.280 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cn2ccccc2n1 ZINC001185878822 1278846883 /nfs/dbraw/zinc/84/68/83/1278846883.db2.gz FFXRULHAZMEZON-UHFFFAOYSA-N -2 0 331.353 2.142 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnc(Cl)c2O)ccc1F ZINC001186150258 1278973552 /nfs/dbraw/zinc/97/35/52/1278973552.db2.gz AMVMACXALACRNN-UHFFFAOYSA-N -2 0 346.723 2.079 20 0 EEADRL C[C@@]1(F)CCN(C(=O)c2ccccc2OP(=O)([O-])[O-])C[C@H]1F ZINC001189870310 1280529938 /nfs/dbraw/zinc/52/99/38/1280529938.db2.gz DUTPDDZJUFEGIL-DGCLKSJQSA-N -2 0 335.243 2.070 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)sn1 ZINC001192110171 1281802554 /nfs/dbraw/zinc/80/25/54/1281802554.db2.gz RUIOJEMKMUDYNQ-UHFFFAOYSA-N -2 0 326.399 2.270 20 0 EEADRL COc1ccc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c1 ZINC001196762943 1284231210 /nfs/dbraw/zinc/23/12/10/1284231210.db2.gz JFTSIWFSRTWVDJ-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cnc1Cl ZINC001198746746 1285317063 /nfs/dbraw/zinc/31/70/63/1285317063.db2.gz KKUYHBDPBHTSNE-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL Cn1cnc2cccc([N-]S(=O)(=O)c3ccccc3C(=O)[O-])c21 ZINC001198782396 1285328334 /nfs/dbraw/zinc/32/83/34/1285328334.db2.gz HTSRGTOHLXEVTI-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL Cc1cc(F)cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1O ZINC001198782896 1285330010 /nfs/dbraw/zinc/33/00/10/1285330010.db2.gz QCRLSGASBKABNQ-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c(C(C)=O)c1 ZINC001198790347 1285336622 /nfs/dbraw/zinc/33/66/22/1285336622.db2.gz SWQSXZSNMNEENK-UHFFFAOYSA-N -2 0 349.364 2.397 20 0 EEADRL COC(=O)c1nc2ccc(-c3ccc(C(=O)[O-])c(OC)c3)nc2[nH]1 ZINC001240745866 1309390405 /nfs/dbraw/zinc/39/04/05/1309390405.db2.gz MCUVAIDTYJXBTN-UHFFFAOYSA-N -2 0 327.296 2.118 20 0 EEADRL Cn1cc(C(F)(F)F)cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1=O ZINC001242163277 1309623697 /nfs/dbraw/zinc/62/36/97/1309623697.db2.gz STXSQLXPTAJHJB-UHFFFAOYSA-N -2 0 341.241 2.468 20 0 EEADRL COc1ccc(F)cc1-c1cc(=O)n(-c2ncccc2C(=O)[O-])[n-]1 ZINC001245953248 1310195972 /nfs/dbraw/zinc/19/59/72/1310195972.db2.gz KMKOWSDRWRBCCI-UHFFFAOYSA-N -2 0 329.287 2.486 20 0 EEADRL O=C([O-])[C@H](CNS(=O)(=O)c1cc([O-])cc(F)c1)C1CCCCC1 ZINC001608539140 1351712563 /nfs/dbraw/zinc/71/25/63/1351712563.db2.gz VLHUVUIJFLRIIF-CQSZACIVSA-N -2 0 345.392 2.091 20 0 EEADRL CCc1onc(C)c1[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC001605896917 1351249735 /nfs/dbraw/zinc/24/97/35/1351249735.db2.gz TVXQKSYIICJVIX-UHFFFAOYSA-N -2 0 328.346 2.254 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001608038898 1351611708 /nfs/dbraw/zinc/61/17/08/1351611708.db2.gz WVIRTFGVWBYFBP-JZYVYDRUSA-N -2 0 343.401 2.163 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)C1CC(C(C)(C)C)C1 ZINC001608038369 1351611905 /nfs/dbraw/zinc/61/19/05/1351611905.db2.gz MLALPUXFBUBYHC-UHFFFAOYSA-N -2 0 343.401 2.163 20 0 EEADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)n1 ZINC001608786923 1351763590 /nfs/dbraw/zinc/76/35/90/1351763590.db2.gz BEUKSTLJQQXFIF-UHFFFAOYSA-N -2 0 348.380 2.051 20 0 EEADRL O=C([O-])c1cccc(CC(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])c1 ZINC001608930430 1351797084 /nfs/dbraw/zinc/79/70/84/1351797084.db2.gz ZPZYWRLQFJMRJU-KRWDZBQOSA-N -2 0 339.347 2.138 20 0 EEADRL O=C([O-])[C@@H](OC(=O)c1nn(-c2ccc(Cl)cc2)cc1O)C1CC1 ZINC001609010907 1351813765 /nfs/dbraw/zinc/81/37/65/1351813765.db2.gz GNARNSDTSIXEQW-ZDUSSCGKSA-N -2 0 336.731 2.251 20 0 EEADRL O=Cc1ccc(-c2ccc(C(=O)N3CC[C@@](F)(C(=O)[O-])C3)c([O-])c2)o1 ZINC001609048872 1351823392 /nfs/dbraw/zinc/82/33/92/1351823392.db2.gz UPXLBNXSQFEURS-KRWDZBQOSA-N -2 0 347.298 2.104 20 0 EEADRL CCc1nc([N-]S(=O)(=O)c2cccnc2Cl)sc1C(=O)[O-] ZINC001610072696 1352155565 /nfs/dbraw/zinc/15/55/65/1352155565.db2.gz KERWZFUNQPFQGY-UHFFFAOYSA-N -2 0 347.805 2.253 20 0 EEADRL Cc1cc([N-]S(=O)(=O)CC2(C(=O)[O-])CCCC2)nn1C(C)C ZINC001610475442 1352229126 /nfs/dbraw/zinc/22/91/26/1352229126.db2.gz KYMOROLSAGOUMB-UHFFFAOYSA-N -2 0 329.422 2.159 20 0 EEADRL O=C([O-])[C@H]1CN(C(=O)c2cc(F)c([O-])c(F)c2)c2ccccc2O1 ZINC001610745568 1352267630 /nfs/dbraw/zinc/26/76/30/1352267630.db2.gz JEXOCCVPFCGVMP-CYBMUJFWSA-N -2 0 335.262 2.163 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c1 ZINC001610866684 1352287842 /nfs/dbraw/zinc/28/78/42/1352287842.db2.gz BWFMKZTZLPGBEX-UHFFFAOYSA-N -3 0 345.716 2.130 20 0 EEADRL Cc1cc(F)cc(C)c1C(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001600229554 1349997406 /nfs/dbraw/zinc/99/74/06/1349997406.db2.gz OHSPRPNLGPAZEH-NOBQPIJMSA-N -2 0 349.358 2.080 20 0 EEADRL Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001600317502 1350018675 /nfs/dbraw/zinc/01/86/75/1350018675.db2.gz YBSOFCSKQLPMGP-XYPYZODXSA-N -2 0 344.371 2.315 20 0 EEADRL Cc1[nH]c(C(=O)[O-])cc1C([O-])=CS(=O)(=O)Cc1ccc(C)cc1 ZINC001600422297 1350047871 /nfs/dbraw/zinc/04/78/71/1350047871.db2.gz XPEKDIUUYNLZLQ-UHFFFAOYSA-N -2 0 335.381 2.127 20 0 EEADRL Cc1[nH]c(C([O-])=CS(=O)(=O)c2ccccc2C)c(C)c1C(=O)[O-] ZINC001600586510 1350090787 /nfs/dbraw/zinc/09/07/87/1350090787.db2.gz CQUCDAGWNKHLGV-UHFFFAOYSA-N -2 0 335.381 2.295 20 0 EEADRL Cc1ccnc([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)c1C1CC1 ZINC001600600652 1350094806 /nfs/dbraw/zinc/09/48/06/1350094806.db2.gz PLDISXWNFFIMKN-UHFFFAOYSA-N -2 0 347.396 2.470 20 0 EEADRL Cc1ccsc1S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cc1F ZINC001600610354 1350096876 /nfs/dbraw/zinc/09/68/76/1350096876.db2.gz JBMRRSCOAJSQER-UHFFFAOYSA-N -2 0 343.357 2.013 20 0 EEADRL Cc1occc1-c1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)no1 ZINC001600859939 1350154597 /nfs/dbraw/zinc/15/45/97/1350154597.db2.gz XSTYJIQKQREQCB-UHFFFAOYSA-N -2 0 337.313 2.070 20 0 EEADRL Cn1ccc(S(=O)(=O)[N-]c2c(C(=O)[O-])ccc3ccccc32)n1 ZINC001600977714 1350181173 /nfs/dbraw/zinc/18/11/73/1350181173.db2.gz JAFQKSXYZUTRKZ-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)/C=C/c2ccccc2)c1 ZINC001601239974 1350239624 /nfs/dbraw/zinc/23/96/24/1350239624.db2.gz MPJPDPLJLXLQTJ-MDZDMXLPSA-N -2 0 345.376 2.044 20 0 EEADRL O=C([O-])[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1cccc(O)c1 ZINC001601396241 1350273738 /nfs/dbraw/zinc/27/37/38/1350273738.db2.gz CLWUECGENKTOSL-GFCCVEGCSA-N -2 0 341.241 2.071 20 0 EEADRL O=C([O-])C1CC2(C1)CN(C(=O)/C=C/C1CCCCC1)C[C@H]2C(=O)[O-] ZINC001601784619 1350363787 /nfs/dbraw/zinc/36/37/87/1350363787.db2.gz VRAAFHHFOZGKPX-BOKNDDAPSA-N -2 0 335.400 2.147 20 0 EEADRL O=C([O-])C[C@H](NC(=O)c1ccc2oc(=S)[n-]c2c1)c1ccncc1 ZINC001601905284 1350394402 /nfs/dbraw/zinc/39/44/02/1350394402.db2.gz XMRCXQFVXHJXTM-NSHDSACASA-N -2 0 343.364 2.457 20 0 EEADRL O=C([O-])C[C@@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)c2ccccc21 ZINC001601962239 1350406630 /nfs/dbraw/zinc/40/66/30/1350406630.db2.gz QZRSTFIXYKRPOR-SECBINFHSA-N -2 0 339.307 2.147 20 0 EEADRL O=C([O-])CN(Cc1c([O-])nnn1-c1ccccc1)Cc1ccccc1 ZINC001602060116 1350430425 /nfs/dbraw/zinc/43/04/25/1350430425.db2.gz PDFIMUPXQQSJFJ-UHFFFAOYSA-N -2 0 338.367 2.060 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2noc3ccccc32)cc1F ZINC001602402464 1350511172 /nfs/dbraw/zinc/51/11/72/1350511172.db2.gz GJGUPSHZNQLHJL-UHFFFAOYSA-N -2 0 336.300 2.466 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccn2)c1 ZINC001602559254 1350546519 /nfs/dbraw/zinc/54/65/19/1350546519.db2.gz NWRSDZRKXZTYOZ-UHFFFAOYSA-N -2 0 336.247 2.192 20 0 EEADRL CC(C)(CS(=O)(=O)[N-]C(=O)CC/C=C\c1ccccc1)C(=O)[O-] ZINC001603659945 1350736523 /nfs/dbraw/zinc/73/65/23/1350736523.db2.gz IXFCXOVKAGJHBR-POHAHGRESA-N -2 0 339.413 2.037 20 0 EEADRL CC(C)CC(CC(C)C)C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-] ZINC001603769198 1350762299 /nfs/dbraw/zinc/76/22/99/1350762299.db2.gz BPBNFFHWJQPMLI-VXGBXAGGSA-N -2 0 335.466 2.250 20 0 EEADRL CC(C)c1scnc1[N-]S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001604032244 1350834600 /nfs/dbraw/zinc/83/46/00/1350834600.db2.gz XRMGPAJBAVQUNM-UHFFFAOYSA-N -2 0 327.387 2.161 20 0 EEADRL CN(CCC(=O)[O-])C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001606104968 1351271452 /nfs/dbraw/zinc/27/14/52/1351271452.db2.gz VUKQZHOZLONPPQ-UHFFFAOYSA-N -2 0 326.374 2.192 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])n2)sc1C ZINC001607707765 1351543244 /nfs/dbraw/zinc/54/32/44/1351543244.db2.gz BUBYCKJFUDJGKX-UHFFFAOYSA-N -2 0 326.399 2.188 20 0 EEADRL Cc1ccc(CN(CCC(=O)[O-])CC(=O)[O-])c(Br)c1 ZINC001607778143 1351556659 /nfs/dbraw/zinc/55/66/59/1351556659.db2.gz KGYZFBKNQDOIFO-UHFFFAOYSA-N -2 0 330.178 2.119 20 0 EEADRL O=C([O-])c1ccc(CNC(=O)c2ccc3[n-]c(=S)oc3c2)cn1 ZINC001608466541 1351700785 /nfs/dbraw/zinc/70/07/85/1351700785.db2.gz ISGTUWAQYUQOSP-UHFFFAOYSA-N -2 0 329.337 2.140 20 0 EEADRL O=[P@@]([O-])(O)C1(Nc2ccc3[nH]cnc3n2)Cc2ccccc2C1 ZINC001167931287 780962281 /nfs/dbraw/zinc/96/22/81/780962281.db2.gz BENCXMWQGVVMKT-UHFFFAOYSA-N -2 0 330.284 2.043 20 0 EEADRL CC(C)Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])s1 ZINC000907732239 784833065 /nfs/dbraw/zinc/83/30/65/784833065.db2.gz UFKXEVARYPGXMX-PWSUYJOCSA-N -2 0 339.413 2.337 20 0 EEADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)N3CCC[C@@H]3CC(=O)[O-])n2)c1 ZINC000909740591 786212553 /nfs/dbraw/zinc/21/25/53/786212553.db2.gz PQZAUQYGZLQQKW-LLVKDONJSA-N -2 0 347.346 2.105 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc3c(c2)CCC=C3)C1 ZINC000910181654 786513149 /nfs/dbraw/zinc/51/31/49/786513149.db2.gz DAJWOAHEUMFJKX-GJZGRUSLSA-N -2 0 329.352 2.036 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(F)c2ccccc12 ZINC000910183345 786515692 /nfs/dbraw/zinc/51/56/92/786515692.db2.gz AURFTVUTPOETBX-ZUZCIYMTSA-N -2 0 345.326 2.369 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cccc(C3CCC3)c2)C1 ZINC000910183167 786515866 /nfs/dbraw/zinc/51/58/66/786515866.db2.gz LMFOWGJNAZJWPI-CABCVRRESA-N -2 0 331.368 2.344 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000910184471 786516495 /nfs/dbraw/zinc/51/64/95/786516495.db2.gz RJHFWVQZPUSFIX-ZQDZILKHSA-N -2 0 337.416 2.369 20 0 EEADRL CC(C)Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1 ZINC000910186241 786518825 /nfs/dbraw/zinc/51/88/25/786518825.db2.gz OVXOXEWYPSGPKM-HUUCEWRRSA-N -2 0 333.384 2.275 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCc2ccc(Cl)cc2)C1 ZINC000910189871 786521872 /nfs/dbraw/zinc/52/18/72/786521872.db2.gz VPDFRCAWZQHBCZ-AAEUAGOBSA-N -2 0 339.775 2.049 20 0 EEADRL O=C([O-])c1cn(CC(=O)[N-]OCCC(F)(F)F)c2ccccc12 ZINC000911805870 787735013 /nfs/dbraw/zinc/73/50/13/787735013.db2.gz PLYAUEGGSPIRBM-UHFFFAOYSA-N -2 0 330.262 2.340 20 0 EEADRL COC(=O)c1cc(O)ccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176241861 798392663 /nfs/dbraw/zinc/39/26/63/798392663.db2.gz BMIDZXXQXAFHPN-UHFFFAOYSA-N -2 0 331.280 2.319 20 0 EEADRL O=C([O-])c1cc(Nc2ccc3c(c2)NC(=O)NC3)cc(C(=O)[O-])c1 ZINC001176245453 798393207 /nfs/dbraw/zinc/39/32/07/798393207.db2.gz ZSYKVOAGCUSFMM-UHFFFAOYSA-N -2 0 327.296 2.462 20 0 EEADRL O=C([O-])c1cccc(CNC(=O)c2cc(F)c(F)c([O-])c2F)c1 ZINC000319683184 950966116 /nfs/dbraw/zinc/96/61/16/950966116.db2.gz AWZYBPVABGEJJQ-UHFFFAOYSA-N -2 0 325.242 2.438 20 0 EEADRL O=C([O-])[C@H](CNC(=O)c1cc(F)c(F)c([O-])c1F)c1ccccc1 ZINC000392184611 972422547 /nfs/dbraw/zinc/42/25/47/972422547.db2.gz KUFGTEAYMQCINE-SNVBAGLBSA-N -2 0 339.269 2.408 20 0 EEADRL Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])s1 ZINC000314494505 963761588 /nfs/dbraw/zinc/76/15/88/963761588.db2.gz PMBGGBUXYXHHSI-UHFFFAOYSA-N -2 0 342.354 2.464 20 0 EEADRL COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000314515134 963763352 /nfs/dbraw/zinc/76/33/52/963763352.db2.gz WWASAYVBUCZXOC-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL CC(C)Oc1ccccc1[N-]S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001591804687 976031731 /nfs/dbraw/zinc/03/17/31/976031731.db2.gz PXAWCSIDECQJPH-UHFFFAOYSA-N -2 0 336.369 2.368 20 0 EEADRL CC(C)c1ccc(N2CC[C@@H](C(=O)[N-]OCCCC(=O)[O-])C2=O)cc1 ZINC001591960358 976543844 /nfs/dbraw/zinc/54/38/44/976543844.db2.gz WHVYTXRLMSVRBT-HNNXBMFYSA-N -2 0 348.399 2.076 20 0 EEADRL C[C@@H](/C=C\C(=O)[O-])NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC001592206827 977246916 /nfs/dbraw/zinc/24/69/16/977246916.db2.gz WMYCMWCLYRKIFF-ATRZURONSA-N -2 0 329.308 2.224 20 0 EEADRL CCC(C)(C)CCNC(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001594800952 981892763 /nfs/dbraw/zinc/89/27/63/981892763.db2.gz SBNQQFOEGYEDPU-JKGQDXBKSA-N -2 0 340.420 2.020 20 0 EEADRL CCOC(=O)CCc1c(C)[n-]n(-c2cccc(C(=O)[O-])c2F)c1=O ZINC001596602687 984562840 /nfs/dbraw/zinc/56/28/40/984562840.db2.gz YVTQUBJJBJATIA-JTQLQIEISA-N -2 0 336.319 2.206 20 0 EEADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1cccc(SCCC(=O)[O-])c1 ZINC001599969533 985979729 /nfs/dbraw/zinc/97/97/29/985979729.db2.gz IWTBYLZTMQAOCW-UHFFFAOYSA-N -2 0 341.414 2.086 20 0 EEADRL C[C@@H](C(=O)[O-])N(C(=O)c1nn(-c2ccccc2F)cc1[O-])C1CCC1 ZINC001589478455 986995671 /nfs/dbraw/zinc/99/56/71/986995671.db2.gz JZXDIBRFLNAVSS-JTQLQIEISA-N -2 0 347.346 2.185 20 0 EEADRL C[C@H](C(=O)[O-])N(C(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C1CCC1 ZINC001589479865 987014584 /nfs/dbraw/zinc/01/45/84/987014584.db2.gz YLHCTSDIHZZRKE-SNVBAGLBSA-N -2 0 347.346 2.185 20 0 EEADRL CSc1cccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])n1 ZINC001599823156 988550463 /nfs/dbraw/zinc/55/04/63/988550463.db2.gz AEEYKYOHYIJGQC-UHFFFAOYSA-N -2 0 342.373 2.442 20 0 EEADRL COc1ccc(C(=O)[O-])c(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])c1 ZINC001599490330 996927869 /nfs/dbraw/zinc/92/78/69/996927869.db2.gz XYWAQCWIRQQBNY-JTQLQIEISA-N -2 0 338.360 2.262 20 0 EEADRL COCc1ccnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC001599296551 997153177 /nfs/dbraw/zinc/15/31/77/997153177.db2.gz MDLUYMWLDGPKSY-UHFFFAOYSA-N -2 0 336.369 2.035 20 0 EEADRL CO[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2[O-])[C@H](C(=O)[O-])C1 ZINC001599123878 997797730 /nfs/dbraw/zinc/79/77/30/997797730.db2.gz WWVQOHZJLUJKMJ-KCJUWKMLSA-N -2 0 347.289 2.115 20 0 EEADRL CC(C)OCCS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C ZINC000267884853 256093848 /nfs/dbraw/zinc/09/38/48/256093848.db2.gz RGPBVRCYGQYLHU-UHFFFAOYSA-N -2 0 345.417 2.339 20 0 EEADRL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1C(=O)[O-] ZINC000342277736 161053324 /nfs/dbraw/zinc/05/33/24/161053324.db2.gz KYQQZDNYQJELDZ-UHFFFAOYSA-N -3 0 341.366 2.254 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2ncon2)cc1 ZINC000343865160 161175758 /nfs/dbraw/zinc/17/57/58/161175758.db2.gz QBJVAMHGOHJYNH-UHFFFAOYSA-N -2 0 349.324 2.137 20 0 EEADRL CCc1ccc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)c(C(=O)[O-])c1 ZINC000355442507 163191262 /nfs/dbraw/zinc/19/12/62/163191262.db2.gz VJWHBRNTXFOBLS-UHFFFAOYSA-N -2 0 349.412 2.281 20 0 EEADRL Cc1cc(C)c([N-]S(=O)(=O)c2cn3c(n2)CCCC3)c(C(=O)[O-])c1 ZINC000374835510 167047928 /nfs/dbraw/zinc/04/79/28/167047928.db2.gz LIOIQJNPPIMGRK-UHFFFAOYSA-N -2 0 349.412 2.335 20 0 EEADRL CCn1nccc1-c1cccc(-n2[n-]c(C)c(CC(=O)[O-])c2=O)c1 ZINC000571226435 319736379 /nfs/dbraw/zinc/73/63/79/319736379.db2.gz PQJDRVMCFTYYAJ-AWEZNQCLSA-N -2 0 326.356 2.383 20 0 EEADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(Cl)cnc1N ZINC000339070887 465065123 /nfs/dbraw/zinc/06/51/23/465065123.db2.gz KLMZOVRROBOQAO-UHFFFAOYSA-N -2 0 341.776 2.125 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])cc1 ZINC000046171469 462656339 /nfs/dbraw/zinc/65/63/39/462656339.db2.gz FSVNWZNOZSJFFW-UHFFFAOYSA-N -2 0 339.300 2.023 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc(F)c2)c1 ZINC000054795421 463262049 /nfs/dbraw/zinc/26/20/49/463262049.db2.gz LXSJKBZSUOWAOF-UHFFFAOYSA-N -2 0 339.300 2.023 20 0 EEADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000055548575 463330965 /nfs/dbraw/zinc/33/09/65/463330965.db2.gz DKHMCHNZGRSAQH-UHFFFAOYSA-N -2 0 349.364 2.446 20 0 EEADRL COCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000037018570 463441141 /nfs/dbraw/zinc/44/11/41/463441141.db2.gz YBWYPJMXGBGLQI-UHFFFAOYSA-N -2 0 327.383 2.394 20 0 EEADRL Cc1cc(C(=O)Nc2cnc3ccccc3c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000151597150 463560028 /nfs/dbraw/zinc/56/00/28/463560028.db2.gz WFNKIXVHWSOTNV-UHFFFAOYSA-N -2 0 347.334 2.133 20 0 EEADRL COc1ncccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000042794487 463597582 /nfs/dbraw/zinc/59/75/82/463597582.db2.gz RDRJAOSRGUIELY-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)C[C@@H](C)C(=O)[O-])n2)cc1 ZINC000263234633 464068263 /nfs/dbraw/zinc/06/82/63/464068263.db2.gz QVYRYYWHDGVZAC-GFCCVEGCSA-N -2 0 345.399 2.494 20 0 EEADRL CC(C)C[C@@H](CNC(=O)c1nn(-c2ccccc2F)cc1[O-])C(=O)[O-] ZINC000579825835 468417346 /nfs/dbraw/zinc/41/73/46/468417346.db2.gz DCPCXJJESLNXFO-NSHDSACASA-N -2 0 349.362 2.194 20 0 EEADRL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000354243068 466411481 /nfs/dbraw/zinc/41/14/81/466411481.db2.gz YWTNMYWAORFHDR-UHFFFAOYSA-N -2 0 337.329 2.216 20 0 EEADRL Cn1cc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)cc1C(=O)[O-] ZINC000319931128 466601665 /nfs/dbraw/zinc/60/16/65/466601665.db2.gz GAJHQCWPICYKHA-UHFFFAOYSA-N -2 0 346.311 2.126 20 0 EEADRL CC1(S(=O)(=O)[N-][C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)CC1 ZINC000563080472 469164331 /nfs/dbraw/zinc/16/43/31/469164331.db2.gz QHONWPKCKHHGEV-SNVBAGLBSA-N -2 0 337.319 2.460 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](NC(=O)N=c2nc(-c3ccsc3)[n-]s2)C1 ZINC000647698983 470962248 /nfs/dbraw/zinc/96/22/48/470962248.db2.gz MLISISVAXBUOGB-APPZFPTMSA-N -2 0 338.414 2.063 20 0 EEADRL C[C@](CN=c1nc(C(F)(F)F)[n-]s1)(C(=O)[O-])c1ccccc1 ZINC000650776988 470964553 /nfs/dbraw/zinc/96/45/53/470964553.db2.gz PIYHAXHPVQCPJS-GFCCVEGCSA-N -2 0 331.319 2.433 20 0 EEADRL O=C([O-])[C@H](C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)C1CCCC1 ZINC000663120371 472365598 /nfs/dbraw/zinc/36/55/98/472365598.db2.gz QCROHKZWZALNEG-KFWWJZLASA-N -2 0 331.368 2.307 20 0 EEADRL CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000683330536 485482160 /nfs/dbraw/zinc/48/21/60/485482160.db2.gz PWWPPBUBLSRALI-UHFFFAOYSA-N -2 0 340.382 2.070 20 0 EEADRL Cc1cccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1O ZINC000674754821 485796653 /nfs/dbraw/zinc/79/66/53/485796653.db2.gz MEAZDSSBMJAWSI-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL O=C([O-])c1c(F)cccc1NC(=O)C[C@]1(C(=O)[O-])CCSC1 ZINC000739216084 576172775 /nfs/dbraw/zinc/17/27/75/576172775.db2.gz IHKZJPJLJXYBRM-CQSZACIVSA-N -2 0 327.333 2.060 20 0 EEADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cnc(Cl)n1C ZINC000776504920 577461070 /nfs/dbraw/zinc/46/10/70/577461070.db2.gz WYIKOKIVSYXSNU-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1O ZINC000754826424 577814195 /nfs/dbraw/zinc/81/41/95/577814195.db2.gz IYFQATXWOYLQAD-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1O ZINC000756935751 577853470 /nfs/dbraw/zinc/85/34/70/577853470.db2.gz CUMLQGSXHVPIOR-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL O=C(N[C@@H](c1nnn[n-]1)c1ccccc1)c1ccc([O-])c(Cl)c1 ZINC000747472161 577945054 /nfs/dbraw/zinc/94/50/54/577945054.db2.gz VXKPDHWXOJFYBU-CYBMUJFWSA-N -2 0 329.747 2.078 20 0 EEADRL O=C([O-])CCc1nnc([N-]C(=O)c2coc(-c3ccccc3)n2)s1 ZINC000739781017 578067647 /nfs/dbraw/zinc/06/76/47/578067647.db2.gz AXNSEVLRIBZGAY-UHFFFAOYSA-N -2 0 344.352 2.463 20 0 EEADRL Cc1cccnc1[N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000319620565 600101911 /nfs/dbraw/zinc/10/19/11/600101911.db2.gz ALPKGOHIBJGHKQ-UHFFFAOYSA-N -2 0 336.369 2.044 20 0 EEADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)n1 ZINC000832889745 601289932 /nfs/dbraw/zinc/28/99/32/601289932.db2.gz NQXCXGZEXQHRCL-CQSZACIVSA-N -2 0 349.362 2.255 20 0 EEADRL O=C([O-])CCc1nnc([N-]C(=O)c2c(F)c(F)cc(F)c2F)s1 ZINC000833243129 601452389 /nfs/dbraw/zinc/45/23/89/601452389.db2.gz ZWHZCGATVCWSMQ-UHFFFAOYSA-N -2 0 349.265 2.364 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nnc(C2CC2)s1 ZINC000832919206 601502914 /nfs/dbraw/zinc/50/29/14/601502914.db2.gz XQKLLJLNYSFFET-UHFFFAOYSA-N -2 0 339.398 2.223 20 0 EEADRL CCC1(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)CCCC1 ZINC000829033053 601769945 /nfs/dbraw/zinc/76/99/45/601769945.db2.gz HYIDJRKHSPVICS-UHFFFAOYSA-N -2 0 331.415 2.222 20 0 EEADRL CCCOc1ccccc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000829541912 601831133 /nfs/dbraw/zinc/83/11/33/601831133.db2.gz VRHGPQDIBOUEMG-UHFFFAOYSA-N -2 0 342.398 2.431 20 0 EEADRL CCCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n[nH]1 ZINC000317654858 602305681 /nfs/dbraw/zinc/30/56/81/602305681.db2.gz SMOCDVWALWPSFX-UHFFFAOYSA-N -2 0 327.337 2.000 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cccc3c2OCO3)c(C(=O)[O-])c1 ZINC000833751123 605167986 /nfs/dbraw/zinc/16/79/86/605167986.db2.gz OWUBMIYTKWSNQD-UHFFFAOYSA-N -2 0 335.337 2.223 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c2cccnc12 ZINC000833733544 605184647 /nfs/dbraw/zinc/18/46/47/605184647.db2.gz UCDNUSMTQBFQDA-UHFFFAOYSA-N -2 0 348.336 2.335 20 0 EEADRL COc1ccc(O)c(S(=O)(=O)[N-]c2cccc(NC(=O)[O-])c2)c1 ZINC000833733761 605240711 /nfs/dbraw/zinc/24/07/11/605240711.db2.gz PEKIDIMVUOEFCY-UHFFFAOYSA-N -2 0 338.341 2.292 20 0 EEADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000833741490 605290420 /nfs/dbraw/zinc/29/04/20/605290420.db2.gz PEFBZKOGDZGGAT-UHFFFAOYSA-N -2 0 341.366 2.284 20 0 EEADRL COc1ncccc1[N-]S(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000321831636 690638474 /nfs/dbraw/zinc/63/84/74/690638474.db2.gz QDHKSYQEIOCQIK-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL CC(C)c1cccc(S(=O)(=O)[N-]C(=O)[C@]2(C(=O)[O-])CC2(C)C)c1 ZINC000863956762 1197935880 /nfs/dbraw/zinc/93/58/80/1197935880.db2.gz SRSSYKLDBMRIJX-INIZCTEOSA-N -2 0 339.413 2.116 20 0 EEADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000863956039 1197936255 /nfs/dbraw/zinc/93/62/55/1197936255.db2.gz HRBQPVBBZRZBNE-LLVKDONJSA-N -2 0 347.458 2.207 20 0 EEADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2F)c1 ZINC000871973618 1197998934 /nfs/dbraw/zinc/99/89/34/1197998934.db2.gz CGCVAMZGKQLQJP-PSASIEDQSA-N -2 0 337.319 2.222 20 0 EEADRL CSc1nccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)n1 ZINC001185871278 1278809494 /nfs/dbraw/zinc/80/94/94/1278809494.db2.gz OCOODINTCZJXAZ-UHFFFAOYSA-N -2 0 339.398 2.006 20 0 EEADRL Cc1cc2c(cn1)[C@H](NC(=O)c1ccccc1OP(=O)([O-])[O-])CC2 ZINC001189899943 1280571298 /nfs/dbraw/zinc/57/12/98/1280571298.db2.gz YHYWGOKUMFMTRJ-CQSZACIVSA-N -2 0 348.295 2.279 20 0 EEADRL Cc1cc(F)ncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195189074 1283472842 /nfs/dbraw/zinc/47/28/42/1283472842.db2.gz DCVHWGYZSFELFP-UHFFFAOYSA-N -2 0 346.286 2.306 20 0 EEADRL O=C([O-])CCc1ccc(Nc2ccc(C(=O)NCC(=O)[O-])cc2)cc1 ZINC001213635575 1296120162 /nfs/dbraw/zinc/12/01/62/1296120162.db2.gz RCRMCVMKGGSLPB-UHFFFAOYSA-N -2 0 342.351 2.262 20 0 EEADRL CCOC([O-])=NC(=S)N=c1[nH]cccc1-c1cncc(C(=O)[O-])c1 ZINC001241801849 1309556319 /nfs/dbraw/zinc/55/63/19/1309556319.db2.gz DEPJPMAMUSXREK-UHFFFAOYSA-N -2 0 346.368 2.285 20 0 EEADRL Cc1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc(-c2ncccn2)n1 ZINC001242161083 1309622907 /nfs/dbraw/zinc/62/29/07/1309622907.db2.gz USIILEMPZJSTBG-UHFFFAOYSA-N -2 0 336.307 2.305 20 0 EEADRL O=P([O-])([O-])OCCNc1nccc(-c2c[nH]c3ccccc32)n1 ZINC001157790715 1318863371 /nfs/dbraw/zinc/86/33/71/1318863371.db2.gz DWRBBSRLCWLZCE-UHFFFAOYSA-N -2 0 334.272 2.146 20 0 EEADRL COc1c(F)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260220692 1319835423 /nfs/dbraw/zinc/83/54/23/1319835423.db2.gz HSLTXABXMANHEO-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(N[C@@H]2SC(=O)[N-]C2=O)cc1 ZINC001163673698 1321189441 /nfs/dbraw/zinc/18/94/41/1321189441.db2.gz DOGWTKXJMAEPFT-QUBYGPBYSA-N -2 0 347.318 2.147 20 0 EEADRL Cc1nn(CCC(=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC001600482956 1350062444 /nfs/dbraw/zinc/06/24/44/1350062444.db2.gz PZCZAXZDMJEBMQ-UHFFFAOYSA-N -2 0 337.401 2.084 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)C[C@H]2CCC[C@@H](C)C2)oc1C(=O)[O-] ZINC001600298014 1350014270 /nfs/dbraw/zinc/01/42/70/1350014270.db2.gz XXWUKPZNQDEJNN-KOLCDFICSA-N -2 0 343.401 2.308 20 0 EEADRL O=C([O-])c1ccc(O)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC001602388945 1350508843 /nfs/dbraw/zinc/50/88/43/1350508843.db2.gz QXAFBGVABRDGQS-UHFFFAOYSA-N -2 0 347.270 2.309 20 0 EEADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)OC1CCC(CC(=O)[O-])CC1 ZINC001603669392 1350739099 /nfs/dbraw/zinc/73/90/99/1350739099.db2.gz YTGAEGZFOWSINX-UHFFFAOYSA-N -2 0 339.310 2.020 20 0 EEADRL O=C([O-])[C@@H](CS(=O)(=O)[N-]c1cnoc1C1CC1)c1ccccc1 ZINC001608539627 1351712710 /nfs/dbraw/zinc/71/27/10/1351712710.db2.gz GORFMFGDDCCFPT-LBPRGKRZSA-N -2 0 336.369 2.162 20 0 EEADRL O=C([O-])[C@@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1ccc2ccccc2c1 ZINC001608544058 1351713493 /nfs/dbraw/zinc/71/34/93/1351713493.db2.gz FPFGMHYVBCSMKD-KFWWJZLASA-N -2 0 327.336 2.193 20 0 EEADRL O=C([O-])[C@H](OC(=O)c1cc(Br)c(F)cc1O)C1CC1 ZINC001609010691 1351813735 /nfs/dbraw/zinc/81/37/35/1351813735.db2.gz AGNDDWZNUJVDHK-SNVBAGLBSA-N -2 0 333.109 2.314 20 0 EEADRL CC(C)(C)Cc1nnc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)o1 ZINC001609657006 1352052309 /nfs/dbraw/zinc/05/23/09/1352052309.db2.gz CNAUGAJAOVCNBH-UHFFFAOYSA-N -2 0 339.373 2.157 20 0 EEADRL CC(C)c1nc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)no1 ZINC001609722027 1352068742 /nfs/dbraw/zinc/06/87/42/1352068742.db2.gz ZHIYLOVHQXCJAS-UHFFFAOYSA-N -2 0 345.764 2.345 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2scc(C(=O)[O-])c2C)cn1 ZINC001610044607 1352148714 /nfs/dbraw/zinc/14/87/14/1352148714.db2.gz MMECRGMATSHCML-UHFFFAOYSA-N -2 0 342.398 2.349 20 0 EEADRL Cc1ccc(Cl)cc1NC(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)[O-] ZINC001610502977 1352234672 /nfs/dbraw/zinc/23/46/72/1352234672.db2.gz VMYGCCUPQBRNMG-BXKDBHETSA-N -2 0 340.763 2.430 20 0 EEADRL Cc1n[nH]c(C(=O)N[C@@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])c1[O-] ZINC001610548276 1352243021 /nfs/dbraw/zinc/24/30/21/1352243021.db2.gz OQURFPVAQOZROR-OCCSQVGLSA-N -2 0 343.383 2.117 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2cnc(C(C)C)nc2)cc1C(=O)[O-] ZINC001610587364 1352249834 /nfs/dbraw/zinc/24/98/34/1352249834.db2.gz IYATZXIZLNRVSY-UHFFFAOYSA-N -2 0 325.346 2.000 20 0 EEADRL O=C([O-])c1cc(NC(=O)C(=O)[N-]OC2CCCCC2)cc2[nH]ccc21 ZINC001610700474 1352261573 /nfs/dbraw/zinc/26/15/73/1352261573.db2.gz SONOVAAQXDQOGO-UHFFFAOYSA-N -2 0 345.355 2.185 20 0 EEADRL O=C([O-])[C@@H]([N-]C(=O)C(F)(F)F)c1ccc(Br)cc1 ZINC001610717131 1352264194 /nfs/dbraw/zinc/26/41/94/1352264194.db2.gz DDAORDMPMHTYDV-ZETCQYMHSA-N -2 0 326.068 2.253 20 0 EEADRL O=C([O-])c1cnc(S(=O)(=O)CCCc2ccccc2Cl)[n-]1 ZINC001610807601 1352278232 /nfs/dbraw/zinc/27/82/32/1352278232.db2.gz BKKYTFORHAAIOM-UHFFFAOYSA-N -2 0 328.777 2.168 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2cccnc2C(F)(F)F)c1 ZINC001610868180 1352288052 /nfs/dbraw/zinc/28/80/52/1352288052.db2.gz VMLAVGRLQFVEEW-UHFFFAOYSA-N -2 0 336.247 2.192 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC001610868143 1352288123 /nfs/dbraw/zinc/28/81/23/1352288123.db2.gz VJLUSUWDIJSAAB-UHFFFAOYSA-N -3 0 345.716 2.130 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc2ccccn2n1 ZINC001599999572 1349952892 /nfs/dbraw/zinc/95/28/92/1349952892.db2.gz IZXAQKZRPLGMBV-UHFFFAOYSA-N -2 0 331.353 2.142 20 0 EEADRL Cc1cc(CNS(=O)(=O)c2cc(F)ccc2F)oc1C(=O)[O-] ZINC001600210566 1349993912 /nfs/dbraw/zinc/99/39/12/1349993912.db2.gz RJQZKARFCTVIFO-UHFFFAOYSA-N -2 0 331.296 2.043 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2N(C)C)sn1 ZINC001600301029 1350014769 /nfs/dbraw/zinc/01/47/69/1350014769.db2.gz CPVHWIHRAKQATI-UHFFFAOYSA-N -2 0 341.414 2.017 20 0 EEADRL Cc1ccc(-n2[n-]c(C(=O)N[C@H](CC(=O)[O-])C(C)(C)C)cc2=O)cc1 ZINC001600321496 1350019810 /nfs/dbraw/zinc/01/98/10/1350019810.db2.gz LBAHKUZMTSRXTG-CQSZACIVSA-N -2 0 345.399 2.093 20 0 EEADRL Cc1ccc(NS(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c(C(=O)[O-])c1 ZINC001600463711 1350058017 /nfs/dbraw/zinc/05/80/17/1350058017.db2.gz IQQXAERUASJQST-GWCFXTLKSA-N -2 0 341.385 2.078 20 0 EEADRL Cc1cccc(F)c1S(=O)(=O)[N-]c1cccc(OCC(=O)[O-])c1 ZINC001600536566 1350076282 /nfs/dbraw/zinc/07/62/82/1350076282.db2.gz QRIHXPNJRLUWPP-UHFFFAOYSA-N -2 0 339.344 2.398 20 0 EEADRL Cc1noc(C)c1[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001600808330 1350141277 /nfs/dbraw/zinc/14/12/77/1350141277.db2.gz MTPPORMUUSDNMW-ZCFIWIBFSA-N -2 0 348.764 2.276 20 0 EEADRL O=C([O-])[C@H](NC(=O)c1cccc(F)c1[O-])c1ccc2c(c1)CCO2 ZINC001601397586 1350274014 /nfs/dbraw/zinc/27/40/14/1350274014.db2.gz DZLKRTMNFIXFNR-CQSZACIVSA-N -2 0 331.299 2.022 20 0 EEADRL O=C([O-])CC[C@H]1Cc2ccccc2N(Cc2cc(C(=O)[O-])no2)C1 ZINC001601979457 1350410083 /nfs/dbraw/zinc/41/00/83/1350410083.db2.gz SERGYNBWWZSEDV-NSHDSACASA-N -2 0 330.340 2.417 20 0 EEADRL O=C([O-])CCCO[N-]C(=O)C1(c2ccccc2Cl)CCOCC1 ZINC001601995600 1350413095 /nfs/dbraw/zinc/41/30/95/1350413095.db2.gz VOKULICZBYUMOT-UHFFFAOYSA-N -2 0 341.791 2.301 20 0 EEADRL O=C([O-])CCc1cccc([N-]S(=O)(=O)c2ccnn2C2CCC2)c1 ZINC001602043951 1350425247 /nfs/dbraw/zinc/42/52/47/1350425247.db2.gz AHQVIOADQADZBT-UHFFFAOYSA-N -2 0 349.412 2.426 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cnn(C3CCC3)c2)c1 ZINC001602366227 1350504841 /nfs/dbraw/zinc/50/48/41/1350504841.db2.gz UIGOGKWMRLRKNZ-UHFFFAOYSA-N -2 0 339.348 2.246 20 0 EEADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001602486883 1350530903 /nfs/dbraw/zinc/53/09/03/1350530903.db2.gz VRVOHYYRARCPOE-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)NC[C@H]2CCCCC(F)(F)C2)c1 ZINC001602556315 1350545289 /nfs/dbraw/zinc/54/52/89/1350545289.db2.gz HFADMMBJDZSBMS-VIFPVBQESA-N -2 0 337.344 2.472 20 0 EEADRL CC1(C)CCc2sc([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)nc21 ZINC001604537474 1350957171 /nfs/dbraw/zinc/95/71/71/1350957171.db2.gz GKYUURQCOYOAFI-UHFFFAOYSA-N -2 0 342.398 2.459 20 0 EEADRL CO[C@@H](CC(C)C)CS(=O)(=O)Nc1c(F)cccc1C(=O)[O-] ZINC001606669300 1351339527 /nfs/dbraw/zinc/33/95/27/1351339527.db2.gz WQTXQCUJPULHFL-JTQLQIEISA-N -2 0 333.381 2.327 20 0 EEADRL CO[C@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[O-])[C@](C)(C(=O)[O-])C1 ZINC001606766104 1351353964 /nfs/dbraw/zinc/35/39/64/1351353964.db2.gz YUGJBLZDQPMOIE-CLAHSXSESA-N -2 0 348.182 2.403 20 0 EEADRL COCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc(C)cs1 ZINC001606956592 1351384159 /nfs/dbraw/zinc/38/41/59/1351384159.db2.gz QNDAMONPCOZYCP-UHFFFAOYSA-N -2 0 342.398 2.097 20 0 EEADRL COc1nc(N(C)Cc2nc(=O)c3sccc3[n-]2)ccc1C(=O)[O-] ZINC001607357578 1351481880 /nfs/dbraw/zinc/48/18/80/1351481880.db2.gz AUKBRZSVEUPLLG-UHFFFAOYSA-N -2 0 346.368 2.135 20 0 EEADRL Cc1cc(Cl)cc(C)c1S(=O)(=O)[N-]c1cnn(CC(=O)[O-])c1 ZINC001607655810 1351534365 /nfs/dbraw/zinc/53/43/65/1351534365.db2.gz KEYVTUAPGJWCAU-UHFFFAOYSA-N -2 0 343.792 2.039 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cnc(C(C)C)nc2)oc1C(=O)[O-] ZINC001607708104 1351543463 /nfs/dbraw/zinc/54/34/63/1351543463.db2.gz WFVJKRGCXPRYCL-UHFFFAOYSA-N -2 0 325.346 2.000 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2nnco2)c1 ZINC001608042455 1351612349 /nfs/dbraw/zinc/61/23/49/1351612349.db2.gz UAESCYHWVNCCQS-UHFFFAOYSA-N -2 0 349.324 2.137 20 0 EEADRL C[C@H]1CCC[C@@H](CC(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000828240522 761234343 /nfs/dbraw/zinc/23/43/43/761234343.db2.gz XBZMJNWBDNKPPO-VHSXEESVSA-N -2 0 345.442 2.468 20 0 EEADRL CC1(C)CCc2nc(Cl)nc(NCCOP(=O)([O-])[O-])c2C1 ZINC001168589750 790656977 /nfs/dbraw/zinc/65/69/77/790656977.db2.gz ODVMUSSEJBEGND-UHFFFAOYSA-N -2 0 335.728 2.166 20 0 EEADRL COC(=O)Nc1cc(F)c(Cl)cc1NCCOP(=O)([O-])[O-] ZINC001168591501 790770010 /nfs/dbraw/zinc/77/00/10/790770010.db2.gz TYQMZCKMMHHBKT-UHFFFAOYSA-N -2 0 342.647 2.179 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)CCCCc2ccccc2)C1 ZINC000910181006 786513454 /nfs/dbraw/zinc/51/34/54/786513454.db2.gz BRISCCAWZLVIGY-CABCVRRESA-N -2 0 333.384 2.176 20 0 EEADRL Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c(C)n1C(C)C ZINC000910187594 786520306 /nfs/dbraw/zinc/52/03/06/786520306.db2.gz FSOMMJJYTGYOCB-JSGCOSHPSA-N -2 0 336.388 2.076 20 0 EEADRL CC1(C)CCC(CC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])CC1 ZINC000910192108 786523728 /nfs/dbraw/zinc/52/37/28/786523728.db2.gz MQGSGVUGNKKDIB-STQMWFEESA-N -2 0 325.405 2.369 20 0 EEADRL O=P([O-])([O-])c1ccc(NCCC2CCC3(CC2)OCCO3)cc1 ZINC001171224916 790159249 /nfs/dbraw/zinc/15/92/49/790159249.db2.gz PDFOUACPFZRLRH-UHFFFAOYSA-N -2 0 341.344 2.225 20 0 EEADRL CN1Cc2ccc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)cc2C1=O ZINC001176242190 798392229 /nfs/dbraw/zinc/39/22/29/798392229.db2.gz PVQUZJBBVQCAEN-UHFFFAOYSA-N -2 0 326.308 2.412 20 0 EEADRL O=C(Cc1cccc(-c2ccccc2)c1)NCCOP(=O)([O-])[O-] ZINC001181109834 800669041 /nfs/dbraw/zinc/66/90/41/800669041.db2.gz RLYPBQXSCUTSOU-UHFFFAOYSA-N -2 0 335.296 2.122 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3n2C)cc1C(=O)[O-] ZINC001184659952 802122222 /nfs/dbraw/zinc/12/22/22/802122222.db2.gz OLEOPEPTUQVVNX-UHFFFAOYSA-N -2 0 345.380 2.381 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCC3)nn2C)cc1C(=O)[O-] ZINC001184668030 802126991 /nfs/dbraw/zinc/12/69/91/802126991.db2.gz PYYCQPVUHDCLKP-UHFFFAOYSA-N -2 0 349.412 2.495 20 0 EEADRL O=C([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cn1 ZINC000322725215 970923031 /nfs/dbraw/zinc/92/30/31/970923031.db2.gz RXURPQGIDOTJPA-UHFFFAOYSA-N -2 0 332.381 2.459 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000386770614 972079055 /nfs/dbraw/zinc/07/90/55/972079055.db2.gz HPWAGEIGJPWEEG-UHFFFAOYSA-N -3 0 341.366 2.254 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(N(C)C)cc2)c1C(=O)[O-] ZINC000390755318 972303040 /nfs/dbraw/zinc/30/30/40/972303040.db2.gz WYLMTCZPYONRHT-UHFFFAOYSA-N -2 0 338.385 2.461 20 0 EEADRL O=C([O-])CNC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000391775155 972369862 /nfs/dbraw/zinc/36/98/62/972369862.db2.gz SYWBHBRAXFHOQU-UHFFFAOYSA-N -2 0 348.742 2.112 20 0 EEADRL CC(C)c1nn(C)cc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000392318511 972469983 /nfs/dbraw/zinc/46/99/83/972469983.db2.gz RVBVETJHNVMMPZ-TWGQIWQCSA-N -2 0 349.412 2.442 20 0 EEADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccnc(Cl)c1 ZINC000318174926 970416163 /nfs/dbraw/zinc/41/61/63/970416163.db2.gz CKLBGTNRARZNQQ-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(C(=O)[O-])[nH]1 ZINC000318542573 970444072 /nfs/dbraw/zinc/44/40/72/970444072.db2.gz GONZOOSWTUFDQW-UHFFFAOYSA-N -2 0 339.760 2.347 20 0 EEADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)n1 ZINC000320430357 970663862 /nfs/dbraw/zinc/66/38/62/970663862.db2.gz RKVXKSCUXMHHHS-UHFFFAOYSA-N -2 0 332.381 2.459 20 0 EEADRL C[C@H](CCC[C@@H](C)C(=O)[O-])NS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001592478753 978253830 /nfs/dbraw/zinc/25/38/30/978253830.db2.gz YAHUAZBYSXSKGU-RKDXNWHRSA-N -2 0 349.430 2.004 20 0 EEADRL CC[C@H](C)n1nc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)cc1C ZINC001595024344 979127434 /nfs/dbraw/zinc/12/74/34/979127434.db2.gz VBWNRKADPYGAOU-VIFPVBQESA-N -2 0 338.389 2.057 20 0 EEADRL CC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC001594828457 981995507 /nfs/dbraw/zinc/99/55/07/981995507.db2.gz DXANTNGRIGMPQQ-GFCCVEGCSA-N -2 0 343.298 2.165 20 0 EEADRL CC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001594930936 982557607 /nfs/dbraw/zinc/55/76/07/982557607.db2.gz CPAVAQAIIVDETK-QMMMGPOBSA-N -2 0 333.793 2.279 20 0 EEADRL CCCCc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)nc1 ZINC001595797303 982605871 /nfs/dbraw/zinc/60/58/71/982605871.db2.gz MACOZGPZUCWPLJ-UHFFFAOYSA-N -2 0 339.373 2.220 20 0 EEADRL CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC001594964459 982718010 /nfs/dbraw/zinc/71/80/10/982718010.db2.gz IPAMOBYTHXVLPB-MRVPVSSYSA-N -2 0 328.752 2.071 20 0 EEADRL CCCn1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC001596126076 983464704 /nfs/dbraw/zinc/46/47/04/983464704.db2.gz USSZSFVPUCZWGK-UHFFFAOYSA-N -2 0 341.364 2.240 20 0 EEADRL CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001589315593 986108667 /nfs/dbraw/zinc/10/86/67/986108667.db2.gz CDOFLJKCLGHPQD-UHFFFAOYSA-N -2 0 325.367 2.450 20 0 EEADRL CCc1ccccc1NC(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001597615214 988532576 /nfs/dbraw/zinc/53/25/76/988532576.db2.gz WIAWLJOCBHCXAP-XYEKJYRLSA-N -2 0 346.383 2.278 20 0 EEADRL CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)nn1 ZINC001590492855 990092636 /nfs/dbraw/zinc/09/26/36/990092636.db2.gz CRKOMKOLIAPKLA-UHFFFAOYSA-N -2 0 341.414 2.335 20 0 EEADRL CC(C)(C)c1nsc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)n1 ZINC001590589344 990240883 /nfs/dbraw/zinc/24/08/83/990240883.db2.gz VITZVXXIBAQSOP-UHFFFAOYSA-N -2 0 347.443 2.396 20 0 EEADRL CN(C(=O)c1ccc([O-])c(Cl)c1)[C@H](COC1CCC1)C(=O)[O-] ZINC001598087863 990419535 /nfs/dbraw/zinc/41/95/35/990419535.db2.gz LTYFNUWJXLJMBX-GFCCVEGCSA-N -2 0 327.764 2.140 20 0 EEADRL CN(C1(C(=O)[O-])CCCC1)S(=O)(=O)c1cccc(Cl)c1[O-] ZINC001598366216 991521411 /nfs/dbraw/zinc/52/14/11/991521411.db2.gz IUEKBCHEEGSVAS-UHFFFAOYSA-N -2 0 333.793 2.064 20 0 EEADRL COc1ccsc1S(=O)(=O)[N-]c1ncc(C(=O)[O-])cc1Cl ZINC001599722575 991564456 /nfs/dbraw/zinc/56/44/56/991564456.db2.gz QOTDIOHXXKNQHT-UHFFFAOYSA-N -2 0 348.789 2.304 20 0 EEADRL CC(C)CC(C)(C)CNC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC001591124663 991817259 /nfs/dbraw/zinc/81/72/59/991817259.db2.gz XRIJMLLJPQGDJM-VXGBXAGGSA-N -2 0 328.409 2.018 20 0 EEADRL CC(C)CCc1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)s1 ZINC001591269734 992185942 /nfs/dbraw/zinc/18/59/42/992185942.db2.gz GJSSESCETTZREM-UHFFFAOYSA-N -2 0 345.402 2.219 20 0 EEADRL CN(Cc1n[n-]c(=O)o1)[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC001598536744 992848334 /nfs/dbraw/zinc/84/83/34/992848334.db2.gz LQIILHDXSIKLTO-JTQLQIEISA-N -2 0 331.250 2.052 20 0 EEADRL C[C@@](O)(C(=O)[O-])c1cccc(-c2ccccc2[C@@H](O)CC(=O)[O-])c1 ZINC001593376059 995086213 /nfs/dbraw/zinc/08/62/13/995086213.db2.gz SPQKJJNQFJMUKM-YJBOKZPZSA-N -2 0 330.336 2.154 20 0 EEADRL CC1(C)CCC(C)(C[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CC1 ZINC001593874028 996687095 /nfs/dbraw/zinc/68/70/95/996687095.db2.gz JSCGOPOQLIZIHP-UHFFFAOYSA-N -2 0 330.406 2.258 20 0 EEADRL CC1(CC(=O)N2C[C@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)CCCCC1 ZINC001593996357 997305223 /nfs/dbraw/zinc/30/52/23/997305223.db2.gz RIFVEPZJWZUXKK-YNAXMUEKSA-N -2 0 337.416 2.371 20 0 EEADRL COC[C@](C)(CC(=O)[O-])NC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001599148035 998246294 /nfs/dbraw/zinc/24/62/94/998246294.db2.gz WAYXWJVPLFOGTD-ZDUSSCGKSA-N -2 0 336.171 2.309 20 0 EEADRL C[C@@H]1CC[C@@H](C(=O)[O-])CN1c1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001594297533 999147584 /nfs/dbraw/zinc/14/75/84/999147584.db2.gz XROMBYKBANRSNC-HTQZYQBOSA-N -2 0 332.278 2.488 20 0 EEADRL O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])C1 ZINC001550906903 1124169745 /nfs/dbraw/zinc/16/97/45/1124169745.db2.gz PGSFNDIUPLNFOC-BNOWGMLFSA-N -2 0 331.368 2.168 20 0 EEADRL CCCSc1nc(=NC(=O)NCC(CC)(CC)C(=O)[O-])s[n-]1 ZINC000424386272 240922308 /nfs/dbraw/zinc/92/23/08/240922308.db2.gz VDAJJEBWYGPNIN-UHFFFAOYSA-N -2 0 346.478 2.475 20 0 EEADRL Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000357710070 153300390 /nfs/dbraw/zinc/30/03/90/153300390.db2.gz UFLSPTZSGYUWQE-UHFFFAOYSA-N -2 0 346.368 2.008 20 0 EEADRL COc1ncc(C)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000356479617 163464642 /nfs/dbraw/zinc/46/46/42/163464642.db2.gz ABEIELXYXQUEBN-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)Cc1ccon1 ZINC000274958993 269079573 /nfs/dbraw/zinc/07/95/73/269079573.db2.gz HLFDUZZSOKEPDI-UHFFFAOYSA-N -2 0 340.357 2.104 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1O ZINC000314242870 311588444 /nfs/dbraw/zinc/58/84/44/311588444.db2.gz FRBBXMSAZUNDSJ-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL O=C(c1cc(F)c([O-])c(Cl)c1)N1CCCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000333596283 312171103 /nfs/dbraw/zinc/17/11/03/312171103.db2.gz VWKGIUZBYSUVHX-SNVBAGLBSA-N -2 0 340.742 2.376 20 0 EEADRL Cc1cccc(F)c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O ZINC000436995275 315021656 /nfs/dbraw/zinc/02/16/56/315021656.db2.gz QJUPABKVPYETJS-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC000436998948 315022107 /nfs/dbraw/zinc/02/21/07/315022107.db2.gz CLVZBNRIDJXBFO-UHFFFAOYSA-N -2 0 349.364 2.402 20 0 EEADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cscc1C ZINC000439054145 315065496 /nfs/dbraw/zinc/06/54/96/315065496.db2.gz DVZCVMSGNRRMTJ-UHFFFAOYSA-N -2 0 341.410 2.493 20 0 EEADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000096744469 463298298 /nfs/dbraw/zinc/29/82/98/463298298.db2.gz AYQHBBYXORCFRW-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL Cc1cc(C(=O)Nc2ccsc2Cl)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000186955966 464085329 /nfs/dbraw/zinc/08/53/29/464085329.db2.gz ROOBEXZLWVUJTO-UHFFFAOYSA-N -2 0 336.760 2.299 20 0 EEADRL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000263565510 464130608 /nfs/dbraw/zinc/13/06/08/464130608.db2.gz VSERONCXQBWSSX-WKEGUHRASA-N -2 0 341.763 2.396 20 0 EEADRL Cc1nc(C)c([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)s1 ZINC000357172796 465830483 /nfs/dbraw/zinc/83/04/83/465830483.db2.gz NZCBMCGQPDZFPP-UHFFFAOYSA-N -2 0 326.399 2.188 20 0 EEADRL O=C([O-])CCC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000338200506 465894580 /nfs/dbraw/zinc/89/45/80/465894580.db2.gz UIVCIBHKXBREEH-UHFFFAOYSA-N -2 0 348.380 2.291 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)c(O)c1 ZINC000436695728 467550943 /nfs/dbraw/zinc/55/09/43/467550943.db2.gz GRVSGIDAQFMUTD-UHFFFAOYSA-N -2 0 337.353 2.214 20 0 EEADRL COc1ncc(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000489578991 468152229 /nfs/dbraw/zinc/15/22/29/468152229.db2.gz CFKAUQBPPUBVFV-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL C[C@@H](NC(=O)NCc1cccc(C(=O)[O-])c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655879952 471518079 /nfs/dbraw/zinc/51/80/79/471518079.db2.gz SXIOPAJQJRBWRO-DDTOSNHZSA-N -2 0 348.399 2.319 20 0 EEADRL O=C([O-])COc1cccc(C(=O)NC2(CC(=O)[O-])CCCCC2)c1 ZINC000663120582 472365635 /nfs/dbraw/zinc/36/56/35/472365635.db2.gz ZELPONWIPYMLMG-UHFFFAOYSA-N -2 0 335.356 2.057 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cnn(C)c1C(F)F ZINC000677551214 486455007 /nfs/dbraw/zinc/45/50/07/486455007.db2.gz ZIEWWZXZADMFCR-UHFFFAOYSA-N -2 0 345.327 2.165 20 0 EEADRL Cc1noc2ncc(S(=O)(=O)[N-]c3ccc(NC(=O)[O-])cc3)cc12 ZINC000738390335 578012429 /nfs/dbraw/zinc/01/24/29/578012429.db2.gz HBXFUJFVJFZUFJ-UHFFFAOYSA-N -2 0 348.340 2.422 20 0 EEADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)c1C(=O)[O-] ZINC000738337309 576323636 /nfs/dbraw/zinc/32/36/36/576323636.db2.gz JDOVSTKWXQJGHB-UHFFFAOYSA-N -2 0 346.368 2.008 20 0 EEADRL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C)c1 ZINC000728266735 576486579 /nfs/dbraw/zinc/48/65/79/576486579.db2.gz XMEOXAJGWPQGLR-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL CCCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cn1 ZINC000743264899 577882466 /nfs/dbraw/zinc/88/24/66/577882466.db2.gz ZZAHTGFXQALYPT-UHFFFAOYSA-N -2 0 343.792 2.446 20 0 EEADRL O=C([O-])c1ccc2c(c1)CN(Cc1c([O-])nnn1-c1ccccc1)C2 ZINC000740203553 578085496 /nfs/dbraw/zinc/08/54/96/578085496.db2.gz RFMAPWHKVGDKEH-UHFFFAOYSA-N -2 0 336.351 2.187 20 0 EEADRL C[C@](CC(=O)NC1CCC(C(=O)[O-])CC1)(C(=O)[O-])c1ccccc1 ZINC000820071707 598133056 /nfs/dbraw/zinc/13/30/56/598133056.db2.gz FEHICTFFEVEEFH-OOKWDQIISA-N -2 0 333.384 2.179 20 0 EEADRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000020593421 599734441 /nfs/dbraw/zinc/73/44/41/599734441.db2.gz YYYMPERBXCGBRS-UHFFFAOYSA-N -2 0 331.733 2.441 20 0 EEADRL Cc1cc(NC(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)c(C(=O)[O-])[nH]1 ZINC000832909736 600838347 /nfs/dbraw/zinc/83/83/47/600838347.db2.gz ISVAYKPUGBELNU-UHFFFAOYSA-N -2 0 340.339 2.061 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])cc1C(=O)[O-] ZINC000832972699 601234049 /nfs/dbraw/zinc/23/40/49/601234049.db2.gz HHWWWDWFGHRQEH-UHFFFAOYSA-N -3 0 339.325 2.094 20 0 EEADRL CC(C)n1cc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cn1 ZINC000320173569 601328270 /nfs/dbraw/zinc/32/82/70/601328270.db2.gz QYYKVWDCPKGPOQ-YVMONPNESA-N -2 0 335.385 2.363 20 0 EEADRL CCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)n1 ZINC000830104831 601362252 /nfs/dbraw/zinc/36/22/52/601362252.db2.gz VPGMZLOQDRTZQO-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL CCn1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1C1CC1 ZINC000830445209 601388654 /nfs/dbraw/zinc/38/86/54/601388654.db2.gz HIKZUQQWFUXATE-UHFFFAOYSA-N -2 0 341.414 2.341 20 0 EEADRL CC(C)(C)c1nnc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)s1 ZINC000826528163 601503023 /nfs/dbraw/zinc/50/30/23/601503023.db2.gz MWOURFMMQXGJSV-UHFFFAOYSA-N -2 0 347.443 2.396 20 0 EEADRL CSc1ccncc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000832790749 601577476 /nfs/dbraw/zinc/57/74/76/601577476.db2.gz QGLVEJJXKWQFJE-UHFFFAOYSA-N -2 0 330.412 2.364 20 0 EEADRL O=C([O-])C[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(Cl)cc1 ZINC000833264625 601621025 /nfs/dbraw/zinc/62/10/25/601621025.db2.gz DYOUQWYYUSFHFI-ZDUSSCGKSA-N -2 0 348.742 2.379 20 0 EEADRL O=C([O-])Cc1ccccc1NC(=O)CSc1n[n-]c(=S)s1 ZINC000819603116 601729416 /nfs/dbraw/zinc/72/94/16/601729416.db2.gz ZDAJAHPPGCRWAU-UHFFFAOYSA-N -2 0 341.439 2.185 20 0 EEADRL CC[C@H](NC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-])C(=O)[O-] ZINC000828982691 601761827 /nfs/dbraw/zinc/76/18/27/601761827.db2.gz HADHSWPWUOWGOO-ZDUSSCGKSA-N -2 0 331.372 2.294 20 0 EEADRL O=C([O-])c1csc([N-]S(=O)(=O)c2cccc3c2OCCO3)c1 ZINC000833343754 602116570 /nfs/dbraw/zinc/11/65/70/602116570.db2.gz MZNHDKJWBVAPHZ-UHFFFAOYSA-N -2 0 341.366 2.018 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)[O-])cs2)cc1 ZINC000026423686 604620509 /nfs/dbraw/zinc/62/05/09/604620509.db2.gz YGIXTKQPCDUMKX-UHFFFAOYSA-N -2 0 326.399 2.270 20 0 EEADRL CCc1nn(C)cc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000833678067 605007268 /nfs/dbraw/zinc/00/72/68/605007268.db2.gz KICUEMUJQLBAIC-UHFFFAOYSA-N -2 0 343.792 2.135 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])no1 ZINC000833746480 605183656 /nfs/dbraw/zinc/18/36/56/605183656.db2.gz AOZVJWOCJMLQFA-UHFFFAOYSA-N -2 0 333.325 2.030 20 0 EEADRL COc1cc(O)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000779847018 605598365 /nfs/dbraw/zinc/59/83/65/605598365.db2.gz QIXJTSLZYXZRTE-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC[C@]2(C)C(=O)[O-])n1 ZINC000909655758 687730714 /nfs/dbraw/zinc/73/07/14/687730714.db2.gz SILCCBDLEDXSTH-GOSISDBHSA-N -2 0 343.383 2.220 20 0 EEADRL O=C([N-]CCCSc1nc(C(F)F)cc(=O)[n-]1)C(F)(F)F ZINC000809986917 1199178830 /nfs/dbraw/zinc/17/88/30/1199178830.db2.gz OSQJPLKOXCMZEU-UHFFFAOYSA-N -2 0 331.266 2.281 20 0 EEADRL COCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000390250157 1253430352 /nfs/dbraw/zinc/43/03/52/1253430352.db2.gz DZCHYNZQKQFREL-UHFFFAOYSA-N -2 0 339.344 2.471 20 0 EEADRL Cc1cc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cnc1F ZINC001186142696 1278967032 /nfs/dbraw/zinc/96/70/32/1278967032.db2.gz ATVCQNXEJOVVHF-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL COC(=O)c1onc(C)c1[N-]C(=O)c1cc(F)c(F)c([O-])c1F ZINC001186771472 1279221876 /nfs/dbraw/zinc/22/18/76/1279221876.db2.gz YMLZGFDDUMIPFJ-UHFFFAOYSA-N -2 0 330.218 2.145 20 0 EEADRL O=C(Nc1cccc2cnncc21)c1ccccc1OP(=O)([O-])[O-] ZINC001189889236 1280565060 /nfs/dbraw/zinc/56/50/60/1280565060.db2.gz PYYXVLCHKVTIMX-UHFFFAOYSA-N -2 0 345.251 2.354 20 0 EEADRL C[C@@H](CCCC(C)(C)O)NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189899491 1280570650 /nfs/dbraw/zinc/57/06/50/1280570650.db2.gz COQLAWZHQJWOLM-NSHDSACASA-N -2 0 345.332 2.218 20 0 EEADRL COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC001197037637 1284423496 /nfs/dbraw/zinc/42/34/96/1284423496.db2.gz WTAFMFAWWWHSSC-UHFFFAOYSA-N -2 0 349.364 2.281 20 0 EEADRL NC(=O)c1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc2ccccc21 ZINC001242160387 1309622800 /nfs/dbraw/zinc/62/28/00/1309622800.db2.gz JLKFXNOUJHEALM-UHFFFAOYSA-N -2 0 336.303 2.397 20 0 EEADRL O=C([O-])c1cccc(-c2cccc3c2NC(=O)[N-]S3(=O)=O)c1F ZINC001242379465 1309654060 /nfs/dbraw/zinc/65/40/60/1309654060.db2.gz DPQGPUFPHKGJIB-UHFFFAOYSA-N -2 0 336.300 2.015 20 0 EEADRL CC(=O)[N-]S(=O)(=O)c1ccc(-c2ccc(Cl)c([O-])c2F)nc1 ZINC001244631566 1309964125 /nfs/dbraw/zinc/96/41/25/1309964125.db2.gz SDDXITFGJXSORK-UHFFFAOYSA-N -2 0 344.751 2.072 20 0 EEADRL O=c1cc(C2CC(F)(F)C2)[n-]n1-c1cccc(S(=O)(=O)[O-])c1 ZINC001245924123 1310189142 /nfs/dbraw/zinc/18/91/42/1310189142.db2.gz MYGFAKZMMKMKEV-UHFFFAOYSA-N -2 0 330.312 2.337 20 0 EEADRL Nc1ccc(-c2cc(=O)n(-c3cccc(S(=O)(=O)[O-])c3)[n-]2)cc1 ZINC001245937960 1310192473 /nfs/dbraw/zinc/19/24/73/1310192473.db2.gz RCBMTFOTORAREO-UHFFFAOYSA-N -2 0 331.353 2.074 20 0 EEADRL O=S(=O)([O-])c1ccc([O-])c(-c2nnc(-c3cccc(F)c3)o2)c1 ZINC001254140102 1318004957 /nfs/dbraw/zinc/00/49/57/1318004957.db2.gz DTBKEIHMBITPDU-UHFFFAOYSA-N -2 0 336.300 2.495 20 0 EEADRL Cc1nc2c(c(NC3([P@@](=O)([O-])O)Cc4ccccc4C3)n1)CCC2 ZINC001157158825 1318447182 /nfs/dbraw/zinc/44/71/82/1318447182.db2.gz CGCCPGGUVUTAIR-UHFFFAOYSA-N -2 0 345.339 2.358 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccncc2C(F)(F)F)c1 ZINC001260182940 1319817034 /nfs/dbraw/zinc/81/70/34/1319817034.db2.gz XUQIOFPRCWVESD-UHFFFAOYSA-N -2 0 346.286 2.021 20 0 EEADRL COc1nc(Cl)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260183905 1319818767 /nfs/dbraw/zinc/81/87/67/1319818767.db2.gz HOZALYYYUQNTMU-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ncc(O)cc2Cl)c1 ZINC001260210582 1319832863 /nfs/dbraw/zinc/83/28/63/1319832863.db2.gz OMGXSULOUVAYGA-UHFFFAOYSA-N -2 0 346.723 2.079 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccncc2C(F)(F)F)cc1 ZINC001260220706 1319835442 /nfs/dbraw/zinc/83/54/42/1319835442.db2.gz IMRBWWAVNPJRSW-UHFFFAOYSA-N -2 0 346.286 2.021 20 0 EEADRL Cc1cccc(S(=O)(=O)Nc2cccc(S(=O)(=O)[O-])c2)c1C ZINC001260998653 1321997188 /nfs/dbraw/zinc/99/71/88/1321997188.db2.gz OUSBUOSOABNQRS-UHFFFAOYSA-N -2 0 341.410 2.351 20 0 EEADRL Cc1nn(C)c([N-]S(=O)(=O)c2ccc(C)cc2Cl)c1C(=O)[O-] ZINC001600482984 1350062271 /nfs/dbraw/zinc/06/22/71/1350062271.db2.gz RWXYZQQQZCQECL-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL O=C([O-])c1cnc([N-]S(=O)(=O)/C=C\c2ccc(Cl)cc2)cn1 ZINC001608978217 1351806644 /nfs/dbraw/zinc/80/66/44/1351806644.db2.gz HUCXPEHKLLBIQR-WAYWQWQTSA-N -2 0 339.760 2.241 20 0 EEADRL CCc1onc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC001610080332 1352157852 /nfs/dbraw/zinc/15/78/52/1352157852.db2.gz SXEJLICNJXUDQL-UHFFFAOYSA-N -2 0 340.357 2.053 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)nn1C(C)C ZINC001610474560 1352228609 /nfs/dbraw/zinc/22/86/09/1352228609.db2.gz OLXACIOCYAFLOG-UHFFFAOYSA-N -2 0 329.403 2.333 20 0 EEADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001610519293 1352237486 /nfs/dbraw/zinc/23/74/86/1352237486.db2.gz VADMMDYPNYELNO-UHFFFAOYSA-N -3 0 341.366 2.254 20 0 EEADRL O=C([O-])CCOc1ccc(NC(=O)NC2(CC(=O)[O-])CCC2)cc1 ZINC001610775770 1352272605 /nfs/dbraw/zinc/27/26/05/1352272605.db2.gz QFJVUPHPLHKCSK-UHFFFAOYSA-N -2 0 336.344 2.059 20 0 EEADRL O=C([O-])[C@@H]1CCCCN1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001595162304 1349881886 /nfs/dbraw/zinc/88/18/86/1349881886.db2.gz GYGAYXFARUYXHC-LBPRGKRZSA-N -2 0 349.774 2.311 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)C2(CC(C)C)CCC2)oc1C(=O)[O-] ZINC001600296418 1350013626 /nfs/dbraw/zinc/01/36/26/1350013626.db2.gz FESOKCMNXZIDBB-UHFFFAOYSA-N -2 0 343.401 2.308 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2nc3cc(C)ccc3[nH]2)cc1C(=O)[O-] ZINC001600489564 1350063657 /nfs/dbraw/zinc/06/36/57/1350063657.db2.gz ZTUAWEVHQZTVHX-UHFFFAOYSA-N -2 0 335.341 2.272 20 0 EEADRL Cc1csc(C(=O)[O-])c1[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC001600650124 1350107685 /nfs/dbraw/zinc/10/76/85/1350107685.db2.gz SHCCTTKCNJCYOO-UHFFFAOYSA-N -2 0 343.430 2.408 20 0 EEADRL Cc1noc(C)c1S(=O)(=O)[N-]c1nc(C2CC2)c(C(=O)[O-])s1 ZINC001600809789 1350141575 /nfs/dbraw/zinc/14/15/75/1350141575.db2.gz NGMGGUGDIZNLJP-UHFFFAOYSA-N -2 0 343.386 2.124 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)/C=C/C1CCCCC1 ZINC001600834368 1350147623 /nfs/dbraw/zinc/14/76/23/1350147623.db2.gz NHRVOIPZUJJDGS-BQYQJAHWSA-N -2 0 341.385 2.228 20 0 EEADRL Cc1sc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC001600872602 1350157137 /nfs/dbraw/zinc/15/71/37/1350157137.db2.gz OWFNIHNECCNMSA-UHFFFAOYSA-N -2 0 343.430 2.408 20 0 EEADRL O=C([O-])C1CC2(C1)C[C@@H](NC(=O)c1ccc(Cl)c([O-])c1)CCO2 ZINC001601444706 1350285205 /nfs/dbraw/zinc/28/52/05/1350285205.db2.gz QGKFIDDBVCNEFD-CSJGVYOVSA-N -2 0 339.775 2.188 20 0 EEADRL O=C([O-])[C@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1cccc2ccccc21 ZINC001601665099 1350332607 /nfs/dbraw/zinc/33/26/07/1350332607.db2.gz RKBFYTGVXFAKGW-RBSFLKMASA-N -2 0 327.336 2.193 20 0 EEADRL O=C([O-])C1(CS(=O)(=O)[N-]c2cccc(F)c2O)CCCCC1 ZINC001601716243 1350346539 /nfs/dbraw/zinc/34/65/39/1350346539.db2.gz QLUFHFRWOBOOQL-UHFFFAOYSA-N -2 0 331.365 2.308 20 0 EEADRL O=C([O-])[C@H]1Cc2ccc(O)cc2CN1C(=O)c1ccc([O-])c(Cl)c1 ZINC001601865630 1350384637 /nfs/dbraw/zinc/38/46/37/1350384637.db2.gz MDIGRGVQPZNLTC-CQSZACIVSA-N -2 0 347.754 2.403 20 0 EEADRL O=C([O-])CN(C1CCCCC1)S(=O)(=O)c1cccc(Cl)c1[O-] ZINC001602052039 1350427639 /nfs/dbraw/zinc/42/76/39/1350427639.db2.gz IQAPBTOFBOHLNL-UHFFFAOYSA-N -2 0 347.820 2.454 20 0 EEADRL O=C([O-])c1c(F)cc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])cc1F ZINC001602223574 1350470399 /nfs/dbraw/zinc/47/03/99/1350470399.db2.gz HBKZQDGVWWJIIO-QTXBENEDSA-N -2 0 337.278 2.124 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nc3ccsc3s2)cn1 ZINC001602402716 1350510976 /nfs/dbraw/zinc/51/09/76/1350510976.db2.gz QVOHKZAPPGPOCP-UHFFFAOYSA-N -2 0 341.395 2.252 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)cn1 ZINC001602402335 1350510997 /nfs/dbraw/zinc/51/09/97/1350510997.db2.gz SZSNGYVIPMJXSN-UHFFFAOYSA-N -2 0 346.364 2.100 20 0 EEADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)C1 ZINC001604652699 1350977867 /nfs/dbraw/zinc/97/78/67/1350977867.db2.gz PYLIGNHRCOLQSQ-ZYHUDNBSSA-N -2 0 349.387 2.025 20 0 EEADRL C[C@@H]1CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CC[C@H]1C(=O)[O-] ZINC001604778187 1351001416 /nfs/dbraw/zinc/00/14/16/1351001416.db2.gz SMHKPIBQXWCURQ-HTQZYQBOSA-N -2 0 342.298 2.238 20 0 EEADRL CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C(F)(F)F ZINC001604949075 1351037620 /nfs/dbraw/zinc/03/76/20/1351037620.db2.gz YCGRXUBBMPUXMK-XRGYYRRGSA-N -2 0 346.352 2.097 20 0 EEADRL CCCOc1ccc([N-]S(=O)(=O)c2cccnc2C(=O)[O-])cc1 ZINC001605341093 1351140430 /nfs/dbraw/zinc/14/04/30/1351140430.db2.gz DYIAJMNQHZSVKY-UHFFFAOYSA-N -2 0 336.369 2.369 20 0 EEADRL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])s1 ZINC001605865904 1351241227 /nfs/dbraw/zinc/24/12/27/1351241227.db2.gz YXKYQROFRCWBFX-UHFFFAOYSA-N -2 0 343.430 2.105 20 0 EEADRL CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])cc1 ZINC001607405578 1351489006 /nfs/dbraw/zinc/48/90/06/1351489006.db2.gz SAZHJKUEGWJTCU-JHJVBQTASA-N -2 0 337.397 2.151 20 0 EEADRL O=C([O-])[C@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)c1ccc(O)cc1 ZINC001608385480 1351683005 /nfs/dbraw/zinc/68/30/05/1351683005.db2.gz DLLHXZVRTWYWRZ-CYBMUJFWSA-N -2 0 344.348 2.378 20 0 EEADRL O=[P@@]([O-])(O)C1(Nc2cnc3nccnc3c2)Cc2ccccc2C1 ZINC001167934899 780990793 /nfs/dbraw/zinc/99/07/93/780990793.db2.gz LTNGVCYEQGWKSX-UHFFFAOYSA-N -2 0 342.295 2.110 20 0 EEADRL O=C([O-])C[C@H](NS(=O)(=O)c1cccc(F)c1F)C1CCCC1 ZINC000906006087 783637714 /nfs/dbraw/zinc/63/77/14/783637714.db2.gz WIFTVENIIOGBDZ-NSHDSACASA-N -2 0 333.356 2.277 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N(CCC(=O)[O-])C2CC2)n1 ZINC000908871762 785785228 /nfs/dbraw/zinc/78/52/28/785785228.db2.gz UEBUCZTUGOUKIE-UHFFFAOYSA-N -2 0 343.383 2.220 20 0 EEADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(CC(=O)[O-])CC(C)C)n1 ZINC000908882354 785821823 /nfs/dbraw/zinc/82/18/23/785821823.db2.gz APICVVOZECATMU-UHFFFAOYSA-N -2 0 349.362 2.208 20 0 EEADRL CC[C@H](Cc1cccc(C)c1)C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910182468 786514396 /nfs/dbraw/zinc/51/43/96/786514396.db2.gz IQSJVKSQVHDIKB-OAGGEKHMSA-N -2 0 347.411 2.340 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)C1 ZINC000910185745 786517498 /nfs/dbraw/zinc/51/74/98/786517498.db2.gz YABSYHQNHFNLIP-XPABHHOTSA-N -2 0 337.416 2.369 20 0 EEADRL Cc1ccc(CCCCC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1 ZINC000910190268 786522062 /nfs/dbraw/zinc/52/20/62/786522062.db2.gz VSQOXJCHBHSQEP-HOTGVXAUSA-N -2 0 347.411 2.484 20 0 EEADRL COc1ccc(Nc2ccc(CC(=O)[O-])cc2)c(S(=O)(=O)[O-])c1 ZINC001174953528 797945589 /nfs/dbraw/zinc/94/55/89/797945589.db2.gz VLANYSQDLFTUPJ-UHFFFAOYSA-N -2 0 337.353 2.313 20 0 EEADRL COC(=O)c1c(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cncc1OC ZINC001176237607 798389903 /nfs/dbraw/zinc/38/99/03/798389903.db2.gz KNWTTXFMLRINSH-UHFFFAOYSA-N -2 0 346.295 2.017 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2O)cc1C(=O)[O-] ZINC001184695955 802132470 /nfs/dbraw/zinc/13/24/70/802132470.db2.gz PSLLXZSNFFPFPM-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cccc3ncn(C)c32)cc1C(=O)[O-] ZINC001184699733 802133383 /nfs/dbraw/zinc/13/33/83/802133383.db2.gz ZQWMRJBTOZOJPC-UHFFFAOYSA-N -2 0 345.380 2.381 20 0 EEADRL O=C([O-])C=Cc1ccc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)cc1 ZINC000324437720 971120583 /nfs/dbraw/zinc/12/05/83/971120583.db2.gz DNPCGBMESDFMER-RMKNXTFCSA-N -2 0 343.364 2.462 20 0 EEADRL O=Cc1ccc(-c2ccc(C(=O)N[C@H]3CCC[C@H]3C(=O)[O-])c([O-])c2)o1 ZINC001595295680 950129841 /nfs/dbraw/zinc/12/98/41/950129841.db2.gz ZNFXJSOGCVEZTE-OCCSQVGLSA-N -2 0 343.335 2.448 20 0 EEADRL O=C([O-])CCc1cccc(NC(=O)c2ccc3oc(=O)nc-3[n-]2)c1 ZINC001595064205 951534619 /nfs/dbraw/zinc/53/46/19/951534619.db2.gz INPLONVNKNBXLU-UHFFFAOYSA-N -2 0 327.296 2.198 20 0 EEADRL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cccc(Br)c2[O-])C1 ZINC001589274981 953458061 /nfs/dbraw/zinc/45/80/61/953458061.db2.gz OURCIVIILOLBAF-IUCAKERBSA-N -2 0 342.189 2.338 20 0 EEADRL C[C@H](S[C@@H](C)C(=O)Nc1cccc(CCC(=O)[O-])c1)C(=O)[O-] ZINC001589168411 956441488 /nfs/dbraw/zinc/44/14/88/956441488.db2.gz BLDYCAZMVQRDPR-UWVGGRQHSA-N -2 0 325.386 2.237 20 0 EEADRL C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)[N-]OCc1ccc(F)cc1Br ZINC001594227474 959437985 /nfs/dbraw/zinc/43/79/85/959437985.db2.gz OPNSHLNRQKSLIQ-UHLUBPPHSA-N -2 0 346.152 2.247 20 0 EEADRL CC(C)c1nn(C)cc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000392318509 972470058 /nfs/dbraw/zinc/47/00/58/972470058.db2.gz RVBVETJHNVMMPZ-RMKNXTFCSA-N -2 0 349.412 2.442 20 0 EEADRL CC[C@H](C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1[O-])C(=O)[O-] ZINC001571229110 962613777 /nfs/dbraw/zinc/61/37/77/962613777.db2.gz UOROVUSGDMHZBF-WPRPVWTQSA-N -2 0 335.809 2.213 20 0 EEADRL CC(C)CC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CCCC1 ZINC000315575251 963915548 /nfs/dbraw/zinc/91/55/48/963915548.db2.gz KQFBNEDMLVKPHB-UHFFFAOYSA-N -2 0 330.406 2.258 20 0 EEADRL Cc1cnc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)s1 ZINC000317297388 970345310 /nfs/dbraw/zinc/34/53/10/970345310.db2.gz RHPGVQVHJMGWTA-UHFFFAOYSA-N -2 0 338.410 2.369 20 0 EEADRL N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)s1 ZINC000318685576 970460334 /nfs/dbraw/zinc/46/03/34/970460334.db2.gz MILYFSMLOJPWQF-UHFFFAOYSA-N -2 0 344.320 2.397 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)sc1C(=O)[O-] ZINC000320394872 970658528 /nfs/dbraw/zinc/65/85/28/970658528.db2.gz QANHOFBWOHNNPT-UHFFFAOYSA-N -2 0 337.382 2.131 20 0 EEADRL CC(C)Oc1ccc([N-]S(=O)(=O)c2cccnc2C(=O)[O-])cc1 ZINC001591788842 975977520 /nfs/dbraw/zinc/97/75/20/975977520.db2.gz XKCCIYBTCDZDPM-UHFFFAOYSA-N -2 0 336.369 2.368 20 0 EEADRL C[C@](CNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)(C(=O)[O-])c1ccccc1 ZINC001592647738 978628748 /nfs/dbraw/zinc/62/87/48/978628748.db2.gz NOHZIJPXFFYWLT-FHSNZYRGSA-N -2 0 333.384 2.036 20 0 EEADRL CCC(CC)(CNC(=O)Nc1cc(OC)ccc1C(=O)[O-])C(=O)[O-] ZINC001595071389 979341219 /nfs/dbraw/zinc/34/12/19/979341219.db2.gz XFKFKGGAXQZXCA-UHFFFAOYSA-N -2 0 338.360 2.406 20 0 EEADRL CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-] ZINC001595126247 979516277 /nfs/dbraw/zinc/51/62/77/979516277.db2.gz SYVIRZFLBNXYJC-DMDPSCGWSA-N -2 0 333.450 2.148 20 0 EEADRL CCCn1cc([N-]S(=O)(=O)c2c(Cl)cccc2C(=O)[O-])cn1 ZINC001596116254 983447120 /nfs/dbraw/zinc/44/71/20/983447120.db2.gz YLUZYLOIUFFGLB-UHFFFAOYSA-N -2 0 343.792 2.446 20 0 EEADRL C[C@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)cc1 ZINC001589523151 987186294 /nfs/dbraw/zinc/18/62/94/987186294.db2.gz JXWRTJSEVFFUBG-NSHDSACASA-N -2 0 349.412 2.208 20 0 EEADRL CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] ZINC001597465593 987906434 /nfs/dbraw/zinc/90/64/34/987906434.db2.gz XFTBCTDZGPQYIS-BVIHXZOGSA-N -2 0 329.352 2.409 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCO2 ZINC001597791293 989321159 /nfs/dbraw/zinc/32/11/59/989321159.db2.gz PFUGPKWSQDUROH-UHFFFAOYSA-N -2 0 337.353 2.276 20 0 EEADRL CC(C)C[C@H](CNC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)C(=O)[O-] ZINC001591150933 991895400 /nfs/dbraw/zinc/89/54/00/991895400.db2.gz VCRRLTQJSQWNQE-SECBINFHSA-N -2 0 348.359 2.130 20 0 EEADRL COCc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)s1 ZINC001599297653 997174826 /nfs/dbraw/zinc/17/48/26/997174826.db2.gz QOVOAUQJLUEFRP-UHFFFAOYSA-N -2 0 342.398 2.097 20 0 EEADRL COc1ccc(C2CC2)c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC001599537267 997765426 /nfs/dbraw/zinc/76/54/26/997765426.db2.gz LQGKWVYBBWXWJY-UHFFFAOYSA-N -2 0 336.369 2.400 20 0 EEADRL COc1cc(OC)cc(S(=O)(=O)[N-]c2sccc2C(=O)[O-])c1 ZINC001599453906 998154742 /nfs/dbraw/zinc/15/47/42/998154742.db2.gz VJSZLJROCNQMIY-UHFFFAOYSA-N -2 0 343.382 2.264 20 0 EEADRL CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001594299330 999155890 /nfs/dbraw/zinc/15/58/90/999155890.db2.gz XRPRVKYMQBLCLL-UTUOFQBUSA-N -2 0 344.433 2.360 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c(O)c1 ZINC000442833655 539957549 /nfs/dbraw/zinc/95/75/49/539957549.db2.gz CHZBTOYNSOPCMM-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncccn2)c(Cl)cc1Cl ZINC000021019867 212200554 /nfs/dbraw/zinc/20/05/54/212200554.db2.gz KETHITNPLIQNCS-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc(O)c2)c1 ZINC000342772364 161089554 /nfs/dbraw/zinc/08/95/54/161089554.db2.gz BUUFRLOAYQYTEE-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL COC(=O)CCS(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1[O-] ZINC000290599537 275221646 /nfs/dbraw/zinc/22/16/46/275221646.db2.gz YSSFUDLLXWIMMI-UHFFFAOYSA-N -2 0 328.173 2.004 20 0 EEADRL Cc1cccc(C(=O)N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C)c1O ZINC000293907136 293324024 /nfs/dbraw/zinc/32/40/24/293324024.db2.gz ODDKRRSHCJXCNK-ZYHUDNBSSA-N -2 0 344.333 2.372 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)cn1 ZINC000430978903 314602126 /nfs/dbraw/zinc/60/21/26/314602126.db2.gz RXBWFBUCDYWVIX-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2c(C)ccc(F)c2C(=O)[O-])s1 ZINC000548536737 318394974 /nfs/dbraw/zinc/39/49/74/318394974.db2.gz RKFQUMRBBVOKIX-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL CCC(CC)(CNC(=O)c1nn(-c2ccccc2F)cc1[O-])C(=O)[O-] ZINC000566096067 319244238 /nfs/dbraw/zinc/24/42/38/319244238.db2.gz CNHUAHSYXSXNNM-UHFFFAOYSA-N -2 0 349.362 2.338 20 0 EEADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccn(C(C)C)n2)cc1C(=O)[O-] ZINC000280890510 464265786 /nfs/dbraw/zinc/26/57/86/464265786.db2.gz FAYCEIZJSVGULT-UHFFFAOYSA-N -2 0 341.364 2.411 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cc(Cl)cnc2N)cccc1C(=O)[O-] ZINC000339072517 465066899 /nfs/dbraw/zinc/06/68/99/465066899.db2.gz USFYWBUWFIPCCR-UHFFFAOYSA-N -2 0 341.776 2.125 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cnc(C(C)C)nc1 ZINC000358490702 465155927 /nfs/dbraw/zinc/15/59/27/465155927.db2.gz BVULUJZBXOHADH-UHFFFAOYSA-N -2 0 335.385 2.407 20 0 EEADRL COc1cncc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c1 ZINC000337175665 465228727 /nfs/dbraw/zinc/22/87/27/465228727.db2.gz IUFRWSRBAUDANN-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL CCc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC000054795624 463262567 /nfs/dbraw/zinc/26/25/67/463262567.db2.gz HJMCMAWETHEVKE-UHFFFAOYSA-N -2 0 349.364 2.446 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cnn(C(F)F)c1 ZINC000361769412 466272351 /nfs/dbraw/zinc/27/23/51/466272351.db2.gz AWGSBMCTFWBMOA-UHFFFAOYSA-N -2 0 331.300 2.086 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccccc1C(=O)[O-] ZINC000350730722 466589939 /nfs/dbraw/zinc/58/99/39/466589939.db2.gz UZWRWWDSGIVVJC-UHFFFAOYSA-N -2 0 335.337 2.192 20 0 EEADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccn1C ZINC000414162599 467385218 /nfs/dbraw/zinc/38/52/18/467385218.db2.gz HLPLLZZMMKCJLR-UHFFFAOYSA-N -2 0 338.385 2.311 20 0 EEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1sc(C)nc1C ZINC000531781562 468074476 /nfs/dbraw/zinc/07/44/76/468074476.db2.gz OWFXYFBYACQPCJ-UHFFFAOYSA-N -2 0 342.398 2.268 20 0 EEADRL O=C(c1ncc2ccccc2c1O)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000614389523 469928022 /nfs/dbraw/zinc/92/80/22/469928022.db2.gz NXUFFCVLMNZAKH-NSHDSACASA-N -2 0 340.339 2.049 20 0 EEADRL C[C@@](CN=c1[n-]nc(C(F)(F)F)s1)(C(=O)[O-])c1ccccc1 ZINC000650776939 470964057 /nfs/dbraw/zinc/96/40/57/470964057.db2.gz NNQCJTUPFWOIFD-LBPRGKRZSA-N -2 0 331.319 2.433 20 0 EEADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NC2(CC(=O)[O-])CCC2)n1 ZINC000653322325 471583490 /nfs/dbraw/zinc/58/34/90/471583490.db2.gz PAKBYOSSPRWGEX-UHFFFAOYSA-N -2 0 347.346 2.153 20 0 EEADRL CC(C)[C@H](CNC(=O)N=c1nc(-c2ccccc2)[n-]s1)C(=O)[O-] ZINC000653536077 471655675 /nfs/dbraw/zinc/65/56/75/471655675.db2.gz LYXPKYIEQCFURE-NSHDSACASA-N -2 0 334.401 2.105 20 0 EEADRL O=C([O-])C[C@@H]1CCCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000663120723 472365508 /nfs/dbraw/zinc/36/55/08/472365508.db2.gz ROKNBOREIWRXCR-ZDUSSCGKSA-N -2 0 347.346 2.186 20 0 EEADRL CCc1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c(C(=O)[O-])c1 ZINC000496068363 536190136 /nfs/dbraw/zinc/19/01/36/536190136.db2.gz GLFISUSLVGSURG-UHFFFAOYSA-N -2 0 349.364 2.446 20 0 EEADRL Cc1ccc(NS(=O)(=O)Cc2cccc(C(=O)[O-])c2)c(C(=O)[O-])c1 ZINC000738633010 577039955 /nfs/dbraw/zinc/03/99/55/577039955.db2.gz UKFNDFXTLWKYCP-UHFFFAOYSA-N -2 0 349.364 2.333 20 0 EEADRL COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1F ZINC000769890248 577586535 /nfs/dbraw/zinc/58/65/35/577586535.db2.gz MQPPDYMPFNGVQF-UHFFFAOYSA-N -2 0 331.346 2.395 20 0 EEADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cc(F)ccc2O)cc1C(=O)[O-] ZINC000753781320 577793328 /nfs/dbraw/zinc/79/33/28/577793328.db2.gz YDWDPHCTOLPJHX-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2ncn(C)c2Cl)c1 ZINC000747621498 577947067 /nfs/dbraw/zinc/94/70/67/577947067.db2.gz WTPCBWLPUJNUNY-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL Cc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)s1 ZINC000738802029 578027302 /nfs/dbraw/zinc/02/73/02/578027302.db2.gz JBKKRTXPSDPTEW-UHFFFAOYSA-N -2 0 334.325 2.229 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccnn2C(C)C)c1C(=O)[O-] ZINC000386940631 600053115 /nfs/dbraw/zinc/05/31/15/600053115.db2.gz PNWWKUFYNWDEHA-UHFFFAOYSA-N -2 0 327.362 2.173 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1O ZINC000317579549 601117486 /nfs/dbraw/zinc/11/74/86/601117486.db2.gz FNTRCPZDOAUYMX-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL O=C([O-])CC1(CS(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CC1 ZINC000833203579 601127875 /nfs/dbraw/zinc/12/78/75/601127875.db2.gz MUOFTHPRLWRPDL-UHFFFAOYSA-N -2 0 347.776 2.035 20 0 EEADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ncc(C)s1 ZINC000831950459 601200963 /nfs/dbraw/zinc/20/09/63/601200963.db2.gz UMEZVALAIXXYPA-UHFFFAOYSA-N -2 0 334.400 2.021 20 0 EEADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])cc1 ZINC000314255153 601357105 /nfs/dbraw/zinc/35/71/05/601357105.db2.gz RLXDUOOFEWLUGV-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL CCCOc1cccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000829542012 601834722 /nfs/dbraw/zinc/83/47/22/601834722.db2.gz ZXHQKXGJHJDLFX-UHFFFAOYSA-N -2 0 342.398 2.431 20 0 EEADRL COc1ccsc1S(=O)(=O)[N-]c1cccc(OCC(=O)[O-])c1 ZINC000832643247 602113134 /nfs/dbraw/zinc/11/31/34/602113134.db2.gz XPBPLCUSQVVCAB-UHFFFAOYSA-N -2 0 343.382 2.021 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)nc2)c(Cl)c1 ZINC000131236974 602156635 /nfs/dbraw/zinc/15/66/35/602156635.db2.gz OPKDBFBLBQATNR-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL COc1ccc(O)c([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])c1 ZINC000832424959 602309770 /nfs/dbraw/zinc/30/97/70/602309770.db2.gz LSCDWMKWUOBVBO-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL CC[C@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000833638717 605680000 /nfs/dbraw/zinc/68/00/00/605680000.db2.gz OGPUHJPDZGJYNP-WDEREUQCSA-N -2 0 327.402 2.013 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)nc2)cc1F ZINC000313748414 683112094 /nfs/dbraw/zinc/11/20/94/683112094.db2.gz AHDGBHLXUGAIEF-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c([N+](=O)[O-])c1 ZINC000320299363 685129641 /nfs/dbraw/zinc/12/96/41/685129641.db2.gz RUAWKGIWOWSSTP-UHFFFAOYSA-N -2 0 344.276 2.134 20 0 EEADRL Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)cc1C(=O)[O-] ZINC000871962636 1197993164 /nfs/dbraw/zinc/99/31/64/1197993164.db2.gz FOHVDRCYHCMCKW-LURJTMIESA-N -2 0 329.271 2.061 20 0 EEADRL CC(C)[C@@]1(C)C[C@H]1C(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000188256257 1208663998 /nfs/dbraw/zinc/66/39/98/1208663998.db2.gz AUXBBCNWOIQWGC-SCLBCKFNSA-N -2 0 342.399 2.021 20 0 EEADRL O=C(Nc1nc[n-]c(=O)c1Br)c1ccc([O-])c(F)c1F ZINC001192828957 1282193406 /nfs/dbraw/zinc/19/34/06/1282193406.db2.gz WKFWFXWWOSTOFY-UHFFFAOYSA-N -2 0 346.087 2.181 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cccnc1N1CCCC1 ZINC001198739775 1285311491 /nfs/dbraw/zinc/31/14/91/1285311491.db2.gz ZVPYSKTWLGTAIR-UHFFFAOYSA-N -2 0 347.396 2.181 20 0 EEADRL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000400456937 1296677328 /nfs/dbraw/zinc/67/73/28/1296677328.db2.gz JLQYAAIIQZNNOZ-WRWORJQWSA-N -2 0 339.335 2.272 20 0 EEADRL C[C@@H](Oc1nc[n-]c(=O)c1I)C1=CC=C[CH]1 ZINC001228928632 1302528863 /nfs/dbraw/zinc/52/88/63/1302528863.db2.gz XRRXPLITYPOQSU-SSDOTTSWSA-N -2 0 329.117 2.255 20 0 EEADRL O=C([O-])c1ccc(-c2cccc3c2NC(=O)[N-]S3(=O)=O)c(F)c1 ZINC001239262513 1309071084 /nfs/dbraw/zinc/07/10/84/1309071084.db2.gz XCMGDGSKYZHDGP-UHFFFAOYSA-N -2 0 336.300 2.015 20 0 EEADRL C[C@H]1CCc2c(sc3ncnc(NCCOP(=O)([O-])[O-])c23)C1 ZINC001157791430 1318863417 /nfs/dbraw/zinc/86/34/17/1318863417.db2.gz NTISNPDKCRNVSX-QMMMGPOBSA-N -2 0 343.345 2.337 20 0 EEADRL Cc1cn2cccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)c2n1 ZINC001260183225 1319816578 /nfs/dbraw/zinc/81/65/78/1319816578.db2.gz DUFUSOPJMUJZQG-UHFFFAOYSA-N -2 0 331.353 2.142 20 0 EEADRL Cn1cc2cccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)c2n1 ZINC001260189443 1319819619 /nfs/dbraw/zinc/81/96/19/1319819619.db2.gz BDVOANCIBRZQPU-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL Cn1cnc2cccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)c21 ZINC001260190502 1319820885 /nfs/dbraw/zinc/82/08/85/1319820885.db2.gz OWPFUWCEYBKRMH-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)c(N)c1 ZINC001210257849 1325217468 /nfs/dbraw/zinc/21/74/68/1325217468.db2.gz GPVKSNKSRWZRKP-UHFFFAOYSA-N -2 0 336.369 2.085 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)CCCC2CCCC2)oc1C(=O)[O-] ZINC001600297790 1350014191 /nfs/dbraw/zinc/01/41/91/1350014191.db2.gz VKRBYYGYIZDENW-UHFFFAOYSA-N -2 0 343.401 2.452 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)nc1 ZINC001608905242 1351790828 /nfs/dbraw/zinc/79/08/28/1351790828.db2.gz JVSWJRNRMLBQFT-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL O=C([O-])c1coc(C(=O)[N-]S(=O)(=O)[C@@H]2CCCc3ccccc32)c1 ZINC001608986514 1351808418 /nfs/dbraw/zinc/80/84/18/1351808418.db2.gz KQIARUFYCOKKGN-CQSZACIVSA-N -2 0 349.364 2.115 20 0 EEADRL O=C([O-])c1ncccc1S(=O)(=O)[N-]c1ccc2c(c1)CCCC2 ZINC001609001719 1351811934 /nfs/dbraw/zinc/81/19/34/1351811934.db2.gz LHOZTURSPYTLSN-UHFFFAOYSA-N -2 0 332.381 2.459 20 0 EEADRL O=C([O-])[C@]12CCC[C@H]1CN(C(=O)c1ccc3oc(=S)[n-]c3c1)C2 ZINC001609029325 1351819654 /nfs/dbraw/zinc/81/96/54/1351819654.db2.gz XQSNMBQNMWPMCM-QFYYESIMSA-N -2 0 332.381 2.443 20 0 EEADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cccc2ccsc21 ZINC001609638870 1352048235 /nfs/dbraw/zinc/04/82/35/1352048235.db2.gz NLHVAHMGASWLAR-IUCAKERBSA-N -2 0 341.410 2.070 20 0 EEADRL C[C@@](NC(=O)c1s[n-]c(=O)c1Cl)(C(=O)[O-])c1ccc(F)cc1 ZINC001609773150 1352081315 /nfs/dbraw/zinc/08/13/15/1352081315.db2.gz GFQPMDYKGJOUJX-ZDUSSCGKSA-N -2 0 344.751 2.371 20 0 EEADRL CC[C@H](CC(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)C(C)C ZINC001609912505 1352118679 /nfs/dbraw/zinc/11/86/79/1352118679.db2.gz JACKGBCJZYUJNO-CYBMUJFWSA-N -2 0 341.429 2.403 20 0 EEADRL CCCCc1nnc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])o1 ZINC001609972288 1352133346 /nfs/dbraw/zinc/13/33/46/1352133346.db2.gz BFJLQRSOVCWJGP-UHFFFAOYSA-N -2 0 339.373 2.220 20 0 EEADRL CCCOc1cccc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)c1 ZINC001609980896 1352133670 /nfs/dbraw/zinc/13/36/70/1352133670.db2.gz AKVBAKLJHGHAIM-UHFFFAOYSA-N -2 0 336.369 2.369 20 0 EEADRL CCc1oncc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC001610079211 1352157287 /nfs/dbraw/zinc/15/72/87/1352157287.db2.gz HBGMMJNYKIHJQL-UHFFFAOYSA-N -2 0 330.749 2.389 20 0 EEADRL Cc1ccc(C(=O)[O-])c(O)c1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC001610486077 1352230785 /nfs/dbraw/zinc/23/07/85/1352230785.db2.gz WEEWTIAUMYLKIS-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1nnc(C(C)C)o1 ZINC001610546133 1352242830 /nfs/dbraw/zinc/24/28/30/1352242830.db2.gz SAWSPFYASVWHLA-UHFFFAOYSA-N -2 0 331.375 2.062 20 0 EEADRL O=C([O-])CCSc1cccc(NC(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC001610776414 1352272622 /nfs/dbraw/zinc/27/26/22/1352272622.db2.gz AENLLUYCAHOLRP-SNVBAGLBSA-N -2 0 338.385 2.192 20 0 EEADRL Cc1ccccc1-c1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)o1 ZINC001600562290 1350083829 /nfs/dbraw/zinc/08/38/29/1350083829.db2.gz OSNVWVIVRFYAFQ-UHFFFAOYSA-N -2 0 349.324 2.137 20 0 EEADRL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])sc1C ZINC001600772668 1350132860 /nfs/dbraw/zinc/13/28/60/1350132860.db2.gz NGDAFQUQMULLQW-UHFFFAOYSA-N -2 0 349.821 2.251 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)cc(N(C)C)c1 ZINC001600837311 1350148303 /nfs/dbraw/zinc/14/83/03/1350148303.db2.gz VGPAARCWJBTTDY-UHFFFAOYSA-N -2 0 342.348 2.292 20 0 EEADRL Cc1sc(C)c(C(=O)[O-])c1[N-]S(=O)(=O)c1c(Cl)cnn1C ZINC001600876067 1350158368 /nfs/dbraw/zinc/15/83/68/1350158368.db2.gz DYYVLBANOLBCBA-UHFFFAOYSA-N -2 0 349.821 2.251 20 0 EEADRL O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)c3cc(F)cc(Cl)c3[O-])[C@@H]2C1 ZINC001601577802 1350311376 /nfs/dbraw/zinc/31/13/76/1350311376.db2.gz CUPSDAVFCZYZOH-GUKKNSHRSA-N -2 0 327.739 2.414 20 0 EEADRL O=C([O-])/C=C/c1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)co1 ZINC001601870839 1350385855 /nfs/dbraw/zinc/38/58/55/1350385855.db2.gz DXEATHONMRPLSF-IRRAIKHBSA-N -2 0 347.367 2.483 20 0 EEADRL O=C([O-])COc1ccc(NC(=O)c2c[n-]ncc2=O)c2ccccc12 ZINC001602091280 1350435222 /nfs/dbraw/zinc/43/52/22/1350435222.db2.gz WTJYXOSUOYCSFD-UHFFFAOYSA-N -2 0 339.307 2.051 20 0 EEADRL O=C([O-])Cn1ncc2ccc(NC(=O)c3cc(F)cc(F)c3[O-])cc21 ZINC001602169300 1350456607 /nfs/dbraw/zinc/45/66/07/1350456607.db2.gz VXXOEWSAHLEFSV-UHFFFAOYSA-N -2 0 347.277 2.357 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]C2CCC(C3CCC3)CC2)on1 ZINC001602293622 1350487158 /nfs/dbraw/zinc/48/71/58/1350487158.db2.gz AYSXYSVROXVJHP-UHFFFAOYSA-N -2 0 328.390 2.010 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nnc(C(F)F)s2)cs1 ZINC001602297493 1350487905 /nfs/dbraw/zinc/48/79/05/1350487905.db2.gz MTCDFBFHNDXNQJ-UHFFFAOYSA-N -2 0 341.342 2.036 20 0 EEADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)o1 ZINC001602324130 1350494550 /nfs/dbraw/zinc/49/45/50/1350494550.db2.gz AGXFPIDZPJCELH-UHFFFAOYSA-N -2 0 347.348 2.025 20 0 EEADRL O=C([O-])c1cccc(C(=O)[N-]S(=O)(=O)/C=C\c2ccccc2)c1 ZINC001602433259 1350518439 /nfs/dbraw/zinc/51/84/39/1350518439.db2.gz LJKXOBCBJZLXDS-KTKRTIGZSA-N -2 0 331.349 2.115 20 0 EEADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)c2ccoc2C2CC2)c1 ZINC001602439011 1350519829 /nfs/dbraw/zinc/51/98/29/1350519829.db2.gz JAKMHYIYDQCYEZ-UHFFFAOYSA-N -2 0 349.364 2.115 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cnn(C3CCCC3)c2)c1 ZINC001602452612 1350522362 /nfs/dbraw/zinc/52/23/62/1350522362.db2.gz MOFBLYDFMYRPKF-UHFFFAOYSA-N -2 0 335.385 2.497 20 0 EEADRL CC(C)c1ccc([C@H](C)CC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cc1 ZINC001603994483 1350823754 /nfs/dbraw/zinc/82/37/54/1350823754.db2.gz HGGDIVTXAUSLLW-NEPJUHHUSA-N -2 0 341.429 2.223 20 0 EEADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c1C ZINC001604981927 1351045212 /nfs/dbraw/zinc/04/52/12/1351045212.db2.gz VZXBVZQPIFFEPQ-SSDOTTSWSA-N -2 0 344.418 2.118 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)nn1[C@@H](C)C1CC1 ZINC001607696944 1351541546 /nfs/dbraw/zinc/54/15/46/1351541546.db2.gz RQVXKFHGDPRVLZ-VIFPVBQESA-N -2 0 339.373 2.255 20 0 EEADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1sc(C)c(C)c1C(=O)[O-] ZINC001607998719 1351600944 /nfs/dbraw/zinc/60/09/44/1351600944.db2.gz SGLIKMUTAWENCY-UHFFFAOYSA-N -2 0 343.430 2.214 20 0 EEADRL CS(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)CC2CCCCC2)c1 ZINC000317442166 1409839854 /nfs/dbraw/zinc/83/98/54/1409839854.db2.gz JJQFBCMBAXXFAX-UHFFFAOYSA-N -2 0 347.458 2.118 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)n1 ZINC000909804813 786263431 /nfs/dbraw/zinc/26/34/31/786263431.db2.gz JWSYGYKZDNAMDN-DGCLKSJQSA-N -2 0 343.383 2.076 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000910186252 786518626 /nfs/dbraw/zinc/51/86/26/786518626.db2.gz PCBLCQWYRAORHL-HQJQHLMTSA-N -2 0 346.166 2.383 20 0 EEADRL CC[C@H](CC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000910187165 786519467 /nfs/dbraw/zinc/51/94/67/786519467.db2.gz BIZJRDUCFWIUHG-BPLDGKMQSA-N -2 0 333.384 2.347 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)Cc2ccc3ccccc3c2)C1 ZINC000910191169 786522964 /nfs/dbraw/zinc/52/29/64/786522964.db2.gz YAXVQSPDLOSTQA-HZPDHXFCSA-N -2 0 341.363 2.159 20 0 EEADRL Cc1ccc(CCCC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])s1 ZINC000910190766 786523050 /nfs/dbraw/zinc/52/30/50/786523050.db2.gz DMTVZXZRZLJHHK-WCQYABFASA-N -2 0 339.413 2.156 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000910191701 786523704 /nfs/dbraw/zinc/52/37/04/786523704.db2.gz KREVWYAPXDDIQH-NJVJYBDUSA-N -2 0 337.416 2.369 20 0 EEADRL O=C(Nc1cnccc1C1CC1)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148917734 792783839 /nfs/dbraw/zinc/78/38/39/792783839.db2.gz WHMKFZSRVIGFBS-UHFFFAOYSA-N -2 0 334.353 2.164 20 0 EEADRL O=C([O-])c1cc(Nc2cn(C3CCOCC3)cn2)cc(C(=O)[O-])c1 ZINC001176239407 798391148 /nfs/dbraw/zinc/39/11/48/798391148.db2.gz WLBDDIGTYOZGMZ-UHFFFAOYSA-N -2 0 331.328 2.375 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)NC(C)(C)CC(=O)[O-])n1 ZINC001593641846 953648292 /nfs/dbraw/zinc/64/82/92/953648292.db2.gz NATIIUZQHJGAJO-UHFFFAOYSA-N -2 0 331.372 2.123 20 0 EEADRL CCC(=O)c1ccc([O-])c(NC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)c1 ZINC001589426644 954630260 /nfs/dbraw/zinc/63/02/60/954630260.db2.gz QIJYWQDGSHLNBR-VXGBXAGGSA-N -2 0 335.356 2.193 20 0 EEADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]c1nc2ccccc2s1 ZINC000134667777 958845234 /nfs/dbraw/zinc/84/52/34/958845234.db2.gz LFODUYDCULMPBM-UHFFFAOYSA-N -2 0 341.395 2.252 20 0 EEADRL O=C([O-])c1cnc(CNC(=O)c2cc(F)c([O-])c(Cl)c2)s1 ZINC001571191288 962258807 /nfs/dbraw/zinc/25/88/07/962258807.db2.gz LIWRFRZTFXQFBF-UHFFFAOYSA-N -2 0 330.724 2.269 20 0 EEADRL CCC(CC)(C(=O)[O-])C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001595047843 979261104 /nfs/dbraw/zinc/26/11/04/979261104.db2.gz LVZUCXCVSRCZFW-LBPRGKRZSA-N -2 0 325.336 2.001 20 0 EEADRL C[C@@H](CS(=O)(=O)[N-][C@H](c1ccc(F)cc1)C(F)(F)F)C(=O)[O-] ZINC001592817076 979518479 /nfs/dbraw/zinc/51/84/79/979518479.db2.gz VKNWHVJAJDGUEA-OIBJUYFYSA-N -2 0 343.298 2.069 20 0 EEADRL CCC[C@@](C)(CC)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001595540970 981399465 /nfs/dbraw/zinc/39/94/65/981399465.db2.gz FXGGYBTYVPPGPO-CYBMUJFWSA-N -2 0 333.431 2.468 20 0 EEADRL CCCC[C@@](C)(F)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001595630595 981823008 /nfs/dbraw/zinc/82/30/08/981823008.db2.gz LCNGGQNDYHAOSW-CQSZACIVSA-N -2 0 331.365 2.108 20 0 EEADRL CCC(C)(C)CCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001594800694 981888436 /nfs/dbraw/zinc/88/84/36/981888436.db2.gz DSJLPNHARJLUEN-NEPJUHHUSA-N -2 0 333.450 2.150 20 0 EEADRL CC[C@H](C)C[C@H](NC(=O)c1ncc(Br)cc1[O-])C(=O)[O-] ZINC001594949525 982650026 /nfs/dbraw/zinc/65/00/26/982650026.db2.gz CQPHRFACTYKMJI-CBAPKCEASA-N -2 0 345.193 2.169 20 0 EEADRL CCCOc1cncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC001595975276 983209928 /nfs/dbraw/zinc/20/99/28/983209928.db2.gz GAZWZLZIYWIIFE-UHFFFAOYSA-N -2 0 336.369 2.369 20 0 EEADRL CCCn1cc([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])cn1 ZINC001596115828 983446086 /nfs/dbraw/zinc/44/60/86/983446086.db2.gz JWZARUKTMWMGRJ-UHFFFAOYSA-N -2 0 329.403 2.162 20 0 EEADRL CC(C)[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])CC1 ZINC001589450682 986840652 /nfs/dbraw/zinc/84/06/52/986840652.db2.gz FDLAZQGCZLEEQI-YVECIDJPSA-N -2 0 333.450 2.004 20 0 EEADRL CC(C)(C(=O)[O-])C(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001589588777 987387137 /nfs/dbraw/zinc/38/71/37/987387137.db2.gz IYCZAVZPHBVTHG-UHFFFAOYSA-N -2 0 348.124 2.336 20 0 EEADRL CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2s[n-]c(=O)c2Cl)C1 ZINC001589611834 987469426 /nfs/dbraw/zinc/46/94/26/987469426.db2.gz AEPVNHIGSURELT-ZETCQYMHSA-N -2 0 332.809 2.465 20 0 EEADRL CCc1onc(C)c1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC001597816332 989446199 /nfs/dbraw/zinc/44/61/99/989446199.db2.gz TXMWNWSRZVQMMV-TWGQIWQCSA-N -2 0 336.369 2.444 20 0 EEADRL CC(C)(CC(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)C1CC1 ZINC001590621925 990304770 /nfs/dbraw/zinc/30/47/70/990304770.db2.gz UJQCCTHYQMQIJG-UHFFFAOYSA-N -2 0 339.413 2.157 20 0 EEADRL CN(C(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(C)(C)CC(=O)[O-] ZINC001598104657 990484069 /nfs/dbraw/zinc/48/40/69/990484069.db2.gz RQVNVXRUPQQDSE-UHFFFAOYSA-N -2 0 335.335 2.042 20 0 EEADRL CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cn2)cc1 ZINC001590948978 991002798 /nfs/dbraw/zinc/00/27/98/991002798.db2.gz IJKAXTQVBYKFRP-UHFFFAOYSA-N -2 0 348.380 2.419 20 0 EEADRL COC(=O)c1c[nH]c(SCCOc2ccc(C=CC(=O)[O-])cc2)n1 ZINC001598917355 997498163 /nfs/dbraw/zinc/49/81/63/997498163.db2.gz OUFHMMRNIRTSKD-DAXSKMNVSA-N -2 0 348.380 2.465 20 0 EEADRL C[C@H]1CCC[C@H]1CC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001594358054 999354122 /nfs/dbraw/zinc/35/41/22/999354122.db2.gz TYGROVBZXUGQMT-IUCAKERBSA-N -2 0 331.415 2.078 20 0 EEADRL O=C([O-])CC[C@@H](NC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000040535897 213341081 /nfs/dbraw/zinc/34/10/81/213341081.db2.gz SNCOANIHKZZXAM-SECBINFHSA-N -2 0 335.143 2.433 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cn1 ZINC000738040724 577997290 /nfs/dbraw/zinc/99/72/90/577997290.db2.gz BQRQMPACWJOMAF-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL Cc1cc(C)cc(N(C)C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1 ZINC000172603204 152098649 /nfs/dbraw/zinc/09/86/49/152098649.db2.gz UDCJIWRRDNKTLJ-UHFFFAOYSA-N -2 0 338.367 2.226 20 0 EEADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000184656638 160013011 /nfs/dbraw/zinc/01/30/11/160013011.db2.gz MIBPTHMRUDLNPQ-SECBINFHSA-N -2 0 337.401 2.091 20 0 EEADRL COc1ccc(O)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c1 ZINC000342787570 161090607 /nfs/dbraw/zinc/09/06/07/161090607.db2.gz XHSVAHYMHWTNHV-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)c(F)c1 ZINC000343869393 161176220 /nfs/dbraw/zinc/17/62/20/161176220.db2.gz VADGIUQKJDVEFE-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL CCc1ncc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])s1 ZINC000359085237 164055085 /nfs/dbraw/zinc/05/50/85/164055085.db2.gz JNEKTTLWTBVTGL-UHFFFAOYSA-N -2 0 348.352 2.483 20 0 EEADRL Cn1ccc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)cc21 ZINC000359120727 164064143 /nfs/dbraw/zinc/06/41/43/164064143.db2.gz KIZFSEHZFJTKPE-UHFFFAOYSA-N -2 0 333.369 2.016 20 0 EEADRL CCc1ccc(S(=O)(=O)[N-]c2cccc3c2OCO3)cc1C(=O)[O-] ZINC000359831079 164180083 /nfs/dbraw/zinc/18/00/83/164180083.db2.gz JWAQWKGDBHYALT-UHFFFAOYSA-N -2 0 349.364 2.477 20 0 EEADRL CCc1ncc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cn1 ZINC000269452737 268684658 /nfs/dbraw/zinc/68/46/58/268684658.db2.gz DFFPMCCHTIDTDW-UHFFFAOYSA-N -2 0 335.385 2.155 20 0 EEADRL CC(=O)c1ccc([O-])c(NC(=O)c2ccccc2[N-]S(C)(=O)=O)c1 ZINC000436876764 315008833 /nfs/dbraw/zinc/00/88/33/315008833.db2.gz KISDGTZVRMCQET-UHFFFAOYSA-N -2 0 348.380 2.219 20 0 EEADRL Cc1ccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c(C)c1O ZINC000438973273 315060857 /nfs/dbraw/zinc/06/08/57/315060857.db2.gz YAFYLFOBWAQQPP-UHFFFAOYSA-N -2 0 340.339 2.319 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2O)cc1F ZINC000489608844 315787494 /nfs/dbraw/zinc/78/74/94/315787494.db2.gz IPDOOZUVWORBMD-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL Cc1cc(C)c(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(F)(F)F)s1 ZINC000565987334 319232173 /nfs/dbraw/zinc/23/21/73/319232173.db2.gz AFUWXKQAIVOGPE-MRVPVSSYSA-N -2 0 345.364 2.296 20 0 EEADRL CCc1noc(C)c1[N-]S(=O)(=O)c1cc(F)c(C)c(C(=O)[O-])c1 ZINC000566229237 319262772 /nfs/dbraw/zinc/26/27/72/319262772.db2.gz MBFSOUGKKBMCJR-UHFFFAOYSA-N -2 0 342.348 2.492 20 0 EEADRL Cc1cnc(N)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000358565589 465196543 /nfs/dbraw/zinc/19/65/43/465196543.db2.gz UNSAMCQCMVMGEL-UHFFFAOYSA-N -2 0 349.412 2.135 20 0 EEADRL O=C([O-])COc1ccc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC000052507592 463084542 /nfs/dbraw/zinc/08/45/42/463084542.db2.gz JXAVLTOMLXCQIN-ZZXKWVIFSA-N -2 0 344.279 2.322 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)c1 ZINC000024432856 463085203 /nfs/dbraw/zinc/08/52/03/463085203.db2.gz ZHPDBMIURHBAHV-UHFFFAOYSA-N -2 0 339.300 2.023 20 0 EEADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)cc1 ZINC000059368332 463641897 /nfs/dbraw/zinc/64/18/97/463641897.db2.gz DGFMDCYBEWIWMC-UHFFFAOYSA-N -2 0 345.380 2.381 20 0 EEADRL COc1cc(F)cc(F)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000170633018 463686575 /nfs/dbraw/zinc/68/65/75/463686575.db2.gz TYDMBBSZZBQOFL-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)NCCCC(=O)[O-])n2)cc1 ZINC000262750755 464044580 /nfs/dbraw/zinc/04/45/80/464044580.db2.gz MRJGWCMCAIVNIM-UHFFFAOYSA-N -2 0 331.372 2.296 20 0 EEADRL CCOCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000263982134 464261231 /nfs/dbraw/zinc/26/12/31/464261231.db2.gz LALXDXSUSNBZGJ-UHFFFAOYSA-N -2 0 338.385 2.061 20 0 EEADRL Cc1nn(-c2ccccc2)c(=NC(=O)c2c[n-]c3ccccc3c2=O)[n-]1 ZINC000579792546 468408557 /nfs/dbraw/zinc/40/85/57/468408557.db2.gz UHMBSYWSRHXQCE-UHFFFAOYSA-N -2 0 345.362 2.091 20 0 EEADRL O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)c1ccc3[n-]c(=S)oc3c1)C2 ZINC000282034058 464676764 /nfs/dbraw/zinc/67/67/64/464676764.db2.gz ZKUQTRWZAPQGRG-MGPLVRAMSA-N -2 0 332.381 2.443 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c(F)c1 ZINC000358852364 465359808 /nfs/dbraw/zinc/35/98/08/465359808.db2.gz GUFUPJOBABOIKO-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL COc1cccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1 ZINC000353495070 465929785 /nfs/dbraw/zinc/92/97/85/465929785.db2.gz MDRMQJOFXMZJJZ-UHFFFAOYSA-N -2 0 326.312 2.005 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc2[nH]c(=O)oc21 ZINC000357334688 465956416 /nfs/dbraw/zinc/95/64/16/465956416.db2.gz PYZJWMLWCPFDKN-UHFFFAOYSA-N -2 0 348.336 2.341 20 0 EEADRL Cc1noc2ncc(S(=O)(=O)[N-]c3c(C)cccc3C(=O)[O-])cc12 ZINC000338879998 466454777 /nfs/dbraw/zinc/45/47/77/466454777.db2.gz GZQBDVFZFDDGTJ-UHFFFAOYSA-N -2 0 347.352 2.339 20 0 EEADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000316507935 466573088 /nfs/dbraw/zinc/57/30/88/466573088.db2.gz SNWKGUVMUQXZJM-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cn1 ZINC000320661098 466612312 /nfs/dbraw/zinc/61/23/12/466612312.db2.gz HZOIYGVUSJSYKI-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c2n[nH]cc21 ZINC000433507911 467337181 /nfs/dbraw/zinc/33/71/81/467337181.db2.gz TTZMCAZRLVBWKO-UHFFFAOYSA-N -2 0 347.352 2.076 20 0 EEADRL Cn1ccc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3O)cc21 ZINC000433525804 467337713 /nfs/dbraw/zinc/33/77/13/467337713.db2.gz RKVKZXUKCSIDHC-UHFFFAOYSA-N -2 0 346.364 2.383 20 0 EEADRL CC(C)Cc1nc(=NC(=O)c2c[n-]c3ccccc3c2=O)s[n-]1 ZINC000622164104 469387670 /nfs/dbraw/zinc/38/76/70/469387670.db2.gz XSFGBTPWHZHFOL-UHFFFAOYSA-N -2 0 328.397 2.252 20 0 EEADRL CCCn1cc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cn1 ZINC000743263586 577882409 /nfs/dbraw/zinc/88/24/09/577882409.db2.gz KARFUNRJIFYREW-UHFFFAOYSA-N -2 0 329.403 2.162 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccnn2C2CCCC2)c1 ZINC000738689528 578023934 /nfs/dbraw/zinc/02/39/34/578023934.db2.gz YHVCKCJYCIBMNO-UHFFFAOYSA-N -2 0 335.385 2.497 20 0 EEADRL O=C([O-])CC[C@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000739659218 578062924 /nfs/dbraw/zinc/06/29/24/578062924.db2.gz LCBZUYVGBTTYEJ-KKUMJFAQSA-N -2 0 331.368 2.376 20 0 EEADRL O=C([O-])NCc1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)cc1 ZINC000740001803 578076913 /nfs/dbraw/zinc/07/69/13/578076913.db2.gz RBODASYKNAGZPZ-UHFFFAOYSA-N -2 0 346.368 2.131 20 0 EEADRL CCCOc1ccc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])cc1 ZINC000321456425 600513672 /nfs/dbraw/zinc/51/36/72/600513672.db2.gz NSDMQFARCMUGRN-UHFFFAOYSA-N -2 0 336.369 2.369 20 0 EEADRL O=C([O-])c1cccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])c1O ZINC000833330313 600707346 /nfs/dbraw/zinc/70/73/46/600707346.db2.gz PKWTVPRBEHLLQY-UHFFFAOYSA-N -2 0 339.307 2.234 20 0 EEADRL CC(C)C[C@@H](C)n1nccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000826763942 600976231 /nfs/dbraw/zinc/97/62/31/600976231.db2.gz MJODFKCIDAKQLC-SNVBAGLBSA-N -2 0 340.405 2.317 20 0 EEADRL Cc1nc(NC(=O)c2c[n-]c3nc(C)ccc3c2=O)sc1C(=O)[O-] ZINC000832962664 601383107 /nfs/dbraw/zinc/38/31/07/601383107.db2.gz ZSLRXXSVRYCWIJ-UHFFFAOYSA-N -2 0 344.352 2.359 20 0 EEADRL O=C([O-])C[C@H](NC(=O)c1cccc(Br)c1[O-])C1CC1 ZINC000833199831 601563901 /nfs/dbraw/zinc/56/39/01/601563901.db2.gz ABPGZGRMLMMLEN-JTQLQIEISA-N -2 0 328.162 2.138 20 0 EEADRL Cc1noc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1C ZINC000088245240 602209465 /nfs/dbraw/zinc/20/94/65/602209465.db2.gz YTFNLUDLOGSZAN-UHFFFAOYSA-N -2 0 330.749 2.444 20 0 EEADRL CC(C)Oc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)cc1 ZINC000833506865 605012013 /nfs/dbraw/zinc/01/20/13/605012013.db2.gz RFLHGCVKLASOHL-UHFFFAOYSA-N -2 0 336.369 2.368 20 0 EEADRL CCC[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)C(C)C ZINC000833648677 605055098 /nfs/dbraw/zinc/05/50/98/605055098.db2.gz WQTAOMZJBCZNAZ-CYBMUJFWSA-N -2 0 327.402 2.262 20 0 EEADRL C/C(=C\C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)C1CC1 ZINC000833381805 605118037 /nfs/dbraw/zinc/11/80/37/605118037.db2.gz JMMSIRFQGXTPJO-SOFGYWHQSA-N -2 0 343.788 2.199 20 0 EEADRL CC(C)(C)Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)[nH]n1 ZINC000833430482 605182926 /nfs/dbraw/zinc/18/29/26/605182926.db2.gz QFJSQGBAGINDEA-UHFFFAOYSA-N -2 0 327.362 2.090 20 0 EEADRL O=C([O-])Nc1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000833287884 606028931 /nfs/dbraw/zinc/02/89/31/606028931.db2.gz CIGLQRIOSKSADL-CQSZACIVSA-N -2 0 328.324 2.202 20 0 EEADRL COc1ccccc1S(=O)(=O)[N-]c1cc(F)c(C(=O)[O-])c(F)c1 ZINC000144026257 675651899 /nfs/dbraw/zinc/65/18/99/675651899.db2.gz DMXHZZRGFQIKRW-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)CC1(C(=O)[O-])CCC1 ZINC000261902602 679583593 /nfs/dbraw/zinc/58/35/93/679583593.db2.gz PBUCWBYDPOIMJU-UHFFFAOYSA-N -2 0 335.385 2.000 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c1 ZINC000319540213 682054124 /nfs/dbraw/zinc/05/41/24/682054124.db2.gz BZRMONHZHSMAPM-UHFFFAOYSA-N -2 0 337.328 2.260 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1O ZINC001185914317 1278865536 /nfs/dbraw/zinc/86/55/36/1278865536.db2.gz PADDABYNOKMRJJ-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL Cc1nc2ccccn2c1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186144152 1278968306 /nfs/dbraw/zinc/96/83/06/1278968306.db2.gz OKINTFQSPXGETG-UHFFFAOYSA-N -2 0 349.343 2.281 20 0 EEADRL Cc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)nc1C ZINC001187540261 1279576761 /nfs/dbraw/zinc/57/67/61/1279576761.db2.gz PAGUEHDCMCDHSW-UHFFFAOYSA-N -2 0 341.776 2.246 20 0 EEADRL O=C(Nc1ccc[nH]c1=S)c1ccccc1OP(=O)([O-])[O-] ZINC001189870922 1280529903 /nfs/dbraw/zinc/52/99/03/1280529903.db2.gz HVWXUKWTRBMSCA-UHFFFAOYSA-N -2 0 326.270 2.094 20 0 EEADRL CC(C)n1cnc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1 ZINC001192113391 1281804755 /nfs/dbraw/zinc/80/47/55/1281804755.db2.gz LCJIYUSPONEVAP-UHFFFAOYSA-N -2 0 337.401 2.282 20 0 EEADRL CCOC(=O)Cc1cccnc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242159781 1309623052 /nfs/dbraw/zinc/62/30/52/1309623052.db2.gz QVZMJNLUEPODPQ-UHFFFAOYSA-N -2 0 329.308 2.251 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)cnn1C ZINC001259212520 1319487949 /nfs/dbraw/zinc/48/79/49/1319487949.db2.gz PWBAGWGZIVVOCP-UHFFFAOYSA-N -2 0 347.755 2.020 20 0 EEADRL Cn1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2[S-])n1 ZINC001259944904 1319750565 /nfs/dbraw/zinc/75/05/65/1319750565.db2.gz XYFUKKQTLBEIJL-UHFFFAOYSA-N -2 0 348.247 2.272 20 0 EEADRL Cn1cnc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)cc21 ZINC001260215035 1319834370 /nfs/dbraw/zinc/83/43/70/1319834370.db2.gz GACFJZOOCUMRDZ-UHFFFAOYSA-N -2 0 349.343 2.211 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3nccnc23)cc1 ZINC001260227871 1319839203 /nfs/dbraw/zinc/83/92/03/1319839203.db2.gz IYTWZEYQJSYRRZ-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL COc1cccc(OC)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260228150 1319840002 /nfs/dbraw/zinc/84/00/02/1319840002.db2.gz FHFXIRHLNIDMGU-UHFFFAOYSA-N -2 0 337.353 2.203 20 0 EEADRL COC(=O)c1ccc(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260227958 1319840117 /nfs/dbraw/zinc/84/01/17/1319840117.db2.gz ORHLFUPEMMENEM-UHFFFAOYSA-N -2 0 349.364 2.281 20 0 EEADRL O=C([O-])c1ncsc1S(=O)(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC001602583560 1350551128 /nfs/dbraw/zinc/55/11/28/1350551128.db2.gz VQTMNIOILYYJLG-OPRDCNLKSA-N -2 0 330.431 2.088 20 0 EEADRL O=C([O-])[C@@H](Cc1ccc(C(F)(F)F)cc1)Sc1n[nH]c(=O)[n-]1 ZINC001608539515 1351712648 /nfs/dbraw/zinc/71/26/48/1351712648.db2.gz CPDZTLXEPBVNFA-MRVPVSSYSA-N -2 0 333.291 2.317 20 0 EEADRL CCCC[C@@H](CC)C(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001605236065 1351112328 /nfs/dbraw/zinc/11/23/28/1351112328.db2.gz BFGZLMZYBFHDHL-QGXCKBJSSA-N -2 0 325.405 2.227 20 0 EEADRL O=C([O-])[C@@H]1CSCCN1C(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001608650434 1351733507 /nfs/dbraw/zinc/73/35/07/1351733507.db2.gz MNVFTACBIUGJIK-VIFPVBQESA-N -2 0 336.196 2.341 20 0 EEADRL O=C([O-])CCS(=O)(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC001608733036 1351751067 /nfs/dbraw/zinc/75/10/67/1351751067.db2.gz YDJRHLGVNNAQEE-UHFFFAOYSA-N -2 0 345.380 2.446 20 0 EEADRL O=C([O-])Cc1csc(NC(=O)C2(C(=O)[O-])CCCCCC2)n1 ZINC001608792134 1351765015 /nfs/dbraw/zinc/76/50/15/1351765015.db2.gz QQBUFDZBAFUHJS-UHFFFAOYSA-N -2 0 326.374 2.134 20 0 EEADRL O=Cc1ccc(-c2ccc(C(=O)N3CC[C@](F)(C(=O)[O-])C3)c([O-])c2)o1 ZINC001609048873 1351823292 /nfs/dbraw/zinc/82/32/92/1351823292.db2.gz UPXLBNXSQFEURS-QGZVFWFLSA-N -2 0 347.298 2.104 20 0 EEADRL CC(C)(C)c1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)nn1 ZINC001609670326 1352054666 /nfs/dbraw/zinc/05/46/66/1352054666.db2.gz IRKLDDJBDXSAQD-UHFFFAOYSA-N -2 0 341.414 2.335 20 0 EEADRL CC(C)Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)n[nH]1 ZINC001609702493 1352063213 /nfs/dbraw/zinc/06/32/13/1352063213.db2.gz LNXSWIKDQCXSOG-UHFFFAOYSA-N -2 0 341.364 2.246 20 0 EEADRL C[C@H](CCC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])c1ccccc1 ZINC001609737765 1352072868 /nfs/dbraw/zinc/07/28/68/1352072868.db2.gz ILRKXUNVWXKDBL-AGIUHOORSA-N -2 0 341.429 2.126 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1n[nH]c2ccccc21 ZINC001610546067 1352242776 /nfs/dbraw/zinc/24/27/76/1352242776.db2.gz QNBRNGWCKXCLSD-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL O=C([O-])CCCNC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC001610769786 1352271651 /nfs/dbraw/zinc/27/16/51/1352271651.db2.gz QNCLDEUCXJDEOS-UHFFFAOYSA-N -2 0 348.399 2.214 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n[nH]c1C(F)(F)F ZINC001600007958 1349954001 /nfs/dbraw/zinc/95/40/01/1349954001.db2.gz PWFWAJPFNPTJNY-UHFFFAOYSA-N -2 0 349.290 2.236 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])nn1C(C)C ZINC001600283867 1350010714 /nfs/dbraw/zinc/01/07/14/1350010714.db2.gz HNCWEAWPEJVGAL-UHFFFAOYSA-N -2 0 341.364 2.411 20 0 EEADRL Cc1[nH]c(C([O-])=CS(=O)(=O)Cc2ccc(C)cc2)c(C)c1C(=O)[O-] ZINC001600422062 1350047428 /nfs/dbraw/zinc/04/74/28/1350047428.db2.gz SAMALOFBHZDMHK-UHFFFAOYSA-N -2 0 349.408 2.436 20 0 EEADRL Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cc(C(=O)[O-])n(C)c1 ZINC001600502235 1350067499 /nfs/dbraw/zinc/06/74/99/1350067499.db2.gz XHWPPLMROJFSOV-UHFFFAOYSA-N -2 0 345.380 2.381 20 0 EEADRL Cc1ccccc1[C@H](C)CC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-] ZINC001600568543 1350085104 /nfs/dbraw/zinc/08/51/04/1350085104.db2.gz MUBRNNRRTLDSOT-FRRDWIJNSA-N -2 0 341.429 2.044 20 0 EEADRL Cc1nc([N-]S(=O)(=O)CCc2cccc(F)c2)sc1C(=O)[O-] ZINC001600716911 1350120397 /nfs/dbraw/zinc/12/03/97/1350120397.db2.gz FSJSTCXHFYWJJP-UHFFFAOYSA-N -2 0 344.389 2.273 20 0 EEADRL Cc1sc(NC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c(C(=O)[O-])c1C ZINC001600886450 1350160522 /nfs/dbraw/zinc/16/05/22/1350160522.db2.gz CKNOYYOBZYGXFY-DTWKUNHWSA-N -2 0 326.374 2.438 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2nc(C3CCC3)cs2)cc1C(=O)[O-] ZINC001600969656 1350179366 /nfs/dbraw/zinc/17/93/66/1350179366.db2.gz JCRSREMZPYRYJO-UHFFFAOYSA-N -2 0 341.414 2.248 20 0 EEADRL Nc1c([N-]S(=O)(=O)c2c(F)cc(F)cc2F)cccc1C(=O)[O-] ZINC001601208925 1350231454 /nfs/dbraw/zinc/23/14/54/1350231454.db2.gz HXHHQFFSHHPPQW-UHFFFAOYSA-N -2 0 346.286 2.185 20 0 EEADRL O=C([O-])[C@@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)c1cccnc1 ZINC001601403213 1350276004 /nfs/dbraw/zinc/27/60/04/1350276004.db2.gz JZCQUXQAOLNANK-LBPRGKRZSA-N -2 0 329.337 2.067 20 0 EEADRL O=C([O-])[C@H](CC1CCOCC1)NC(=O)c1cccc(Cl)c1[O-] ZINC001601413079 1350279328 /nfs/dbraw/zinc/27/93/28/1350279328.db2.gz QHTBXBLHJJUPQY-LBPRGKRZSA-N -2 0 327.764 2.045 20 0 EEADRL O=C([O-])c1cc2cc(NC(=O)C(=O)[N-]OCC3CCC3)ccc2s1 ZINC001601563909 1350307330 /nfs/dbraw/zinc/30/73/30/1350307330.db2.gz UTSWBQKBHZZBOU-UHFFFAOYSA-N -2 0 348.380 2.386 20 0 EEADRL CC(C)(C)c1nc([N-]S(=O)(=O)c2ccns2)sc1C(=O)[O-] ZINC001603554599 1350719213 /nfs/dbraw/zinc/71/92/13/1350719213.db2.gz FHMYREPOGXYVFU-UHFFFAOYSA-N -2 0 347.443 2.396 20 0 EEADRL CC(C)c1nn(C)cc1[N-]S(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001604021345 1350831550 /nfs/dbraw/zinc/83/15/50/1350831550.db2.gz YABODLONEKJQFX-UHFFFAOYSA-N -2 0 341.364 2.182 20 0 EEADRL CCn1ncc(C)c1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC001605940766 1351257048 /nfs/dbraw/zinc/25/70/48/1351257048.db2.gz FVTMJQDGJHXKAJ-TWGQIWQCSA-N -2 0 335.385 2.110 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1c2c(nn1C)CCCC2 ZINC001607517825 1351509591 /nfs/dbraw/zinc/50/95/91/1351509591.db2.gz KKCGALQTOLKYDP-UHFFFAOYSA-N -2 0 349.412 2.106 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2ccc3ccccc3c2)cnn1CC(=O)[O-] ZINC001607554636 1351515177 /nfs/dbraw/zinc/51/51/77/1351515177.db2.gz XMYONJSYNKGZSA-UHFFFAOYSA-N -2 0 345.380 2.230 20 0 EEADRL Cc1cc(C)cc(C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)c1 ZINC001607625366 1351527485 /nfs/dbraw/zinc/52/74/85/1351527485.db2.gz OJXRJXAIFOFYLC-UHFFFAOYSA-N -2 0 347.392 2.261 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2N)c(C)s1 ZINC001607707783 1351543494 /nfs/dbraw/zinc/54/34/94/1351543494.db2.gz DFJWAJSPBLEOFC-UHFFFAOYSA-N -2 0 326.399 2.446 20 0 EEADRL Cc1cccc(C[C@@H](CNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)C(=O)[O-])c1 ZINC001607848460 1351570726 /nfs/dbraw/zinc/57/07/26/1351570726.db2.gz CEDVQGZYCCSDQR-HNAYVOBHSA-N -2 0 345.395 2.166 20 0 EEADRL Cc1nc(S(=O)(=O)[N-]c2cccc(SCCC(=O)[O-])c2)c[nH]1 ZINC001607985325 1351597982 /nfs/dbraw/zinc/59/79/82/1351597982.db2.gz ONZGBBXTOVQWGV-UHFFFAOYSA-N -2 0 341.414 2.086 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2ccc(C3CC3)cn2)cc1C(=O)[O-] ZINC001607984958 1351597991 /nfs/dbraw/zinc/59/79/91/1351597991.db2.gz KAYAKDWAIBISGE-UHFFFAOYSA-N -2 0 333.369 2.161 20 0 EEADRL Cn1nc(C(=O)[O-])cc1NC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001608144962 1351634436 /nfs/dbraw/zinc/63/44/36/1351634436.db2.gz JGQQOIGEVHLQDX-UHFFFAOYSA-N -2 0 330.127 2.383 20 0 EEADRL COC(=O)c1cccc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000059778822 1352763197 /nfs/dbraw/zinc/76/31/97/1352763197.db2.gz ASNONIXALUOKFR-UHFFFAOYSA-N -2 0 349.364 2.281 20 0 EEADRL CC[C@@H](C)N(CC(=O)[O-])C(=O)c1nn(-c2cc(C)ccc2F)cc1[O-] ZINC000909312480 786173793 /nfs/dbraw/zinc/17/37/93/786173793.db2.gz NESNOJMLUKMFJV-LLVKDONJSA-N -2 0 349.362 2.351 20 0 EEADRL Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c(C)cc1Cl ZINC000910184372 786517006 /nfs/dbraw/zinc/51/70/06/786517006.db2.gz QAXFECOOQUAYEU-GWCFXTLKSA-N -2 0 339.775 2.347 20 0 EEADRL C/C(=C\c1ccc(C)cc1)C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910185760 786517619 /nfs/dbraw/zinc/51/76/19/786517619.db2.gz LBUAGPXZSZKNPI-PRYPJVTBSA-N -2 0 331.368 2.175 20 0 EEADRL C[C@H](CC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1ccccc1F ZINC000910188814 786521287 /nfs/dbraw/zinc/52/12/87/786521287.db2.gz NGOIDNPVQQKHEC-UHIISALHSA-N -2 0 337.347 2.096 20 0 EEADRL O=C(Nc1nc(C2CC2)cs1)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148914744 792781396 /nfs/dbraw/zinc/78/13/96/792781396.db2.gz DOPQXGBGIYOBAR-UHFFFAOYSA-N -2 0 340.382 2.225 20 0 EEADRL CC1(C)COc2cc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)nn2C1 ZINC001176237483 798390221 /nfs/dbraw/zinc/39/02/21/798390221.db2.gz IAFRLWJLELHIOV-UHFFFAOYSA-N -2 0 331.328 2.442 20 0 EEADRL Cc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793385739 810311394 /nfs/dbraw/zinc/31/13/94/810311394.db2.gz PRTPORIEQUFLPM-UHFFFAOYSA-N -2 0 328.321 2.238 20 0 EEADRL Cc1cncc(NS(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000323126428 970968675 /nfs/dbraw/zinc/96/86/75/970968675.db2.gz VBGDWHQFFXVKLJ-UHFFFAOYSA-N -2 0 336.369 2.044 20 0 EEADRL O=C([O-])CN(C(=O)c1cc(Br)cc(F)c1[O-])C1CCC1 ZINC001595067716 951574454 /nfs/dbraw/zinc/57/44/54/951574454.db2.gz ISAWSZDQLHWYFU-UHFFFAOYSA-N -2 0 346.152 2.373 20 0 EEADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000843338194 969239917 /nfs/dbraw/zinc/23/99/17/969239917.db2.gz LVEWQOLBVRQRMY-JTQLQIEISA-N -2 0 332.278 2.026 20 0 EEADRL CC(C)n1nccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001592170011 977069277 /nfs/dbraw/zinc/06/92/77/977069277.db2.gz TWNUMWLFSSAFNM-UHFFFAOYSA-N -2 0 345.327 2.241 20 0 EEADRL Cc1nc2cc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)ccc2s1 ZINC000781118288 978790965 /nfs/dbraw/zinc/79/09/65/978790965.db2.gz ZFPJWCIVIKDXGW-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL C[C@@](Cc1ccc(Cl)cc1)(NC(=O)CCCCC(=O)[O-])C(=O)[O-] ZINC001592838874 979591997 /nfs/dbraw/zinc/59/19/97/979591997.db2.gz RCOJBUPCMQQVQM-INIZCTEOSA-N -2 0 341.791 2.487 20 0 EEADRL CCC(C)(CC)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC001594830230 982011180 /nfs/dbraw/zinc/01/11/80/982011180.db2.gz TUABUDXORPTCFO-UHFFFAOYSA-N -2 0 327.402 2.324 20 0 EEADRL CC[C@H](C)C[C@@H](NC(=O)c1nn(-c2ccccc2F)cc1[O-])C(=O)[O-] ZINC001594950360 982659599 /nfs/dbraw/zinc/65/95/99/982659599.db2.gz XWUQLRUILSCUCU-CMPLNLGQSA-N -2 0 349.362 2.336 20 0 EEADRL CCOCc1cccc([N-]S(=O)(=O)c2occc2C(=O)[O-])c1 ZINC001596949003 986100830 /nfs/dbraw/zinc/10/08/30/986100830.db2.gz BGGAZJKSXMUGLE-UHFFFAOYSA-N -2 0 325.342 2.315 20 0 EEADRL CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2coc(/C=C\C(=O)[O-])c2)C1 ZINC001589612020 987471370 /nfs/dbraw/zinc/47/13/70/987471370.db2.gz OJIVBENGWSEEST-FJOGCWAESA-N -2 0 335.356 2.340 20 0 EEADRL CCn1nccc1S(=O)(=O)[N-]c1ccc(SC)c(C(=O)[O-])c1 ZINC001597968471 990012965 /nfs/dbraw/zinc/01/29/65/990012965.db2.gz WBRTWQAMEIHILB-UHFFFAOYSA-N -2 0 341.414 2.124 20 0 EEADRL CC(C)(C)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)nn1 ZINC001590493755 990097429 /nfs/dbraw/zinc/09/74/29/990097429.db2.gz OYIUXHFEXGXCBA-UHFFFAOYSA-N -2 0 335.385 2.273 20 0 EEADRL COc1cccc(S(=O)(=O)[N-]c2cnc(C(=O)[O-])c(Cl)c2)c1 ZINC001599684588 990966569 /nfs/dbraw/zinc/96/65/69/990966569.db2.gz VSUMNQUHHQOYPL-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C2CC2)ccn1 ZINC001599383735 996905384 /nfs/dbraw/zinc/90/53/84/996905384.db2.gz JHTKOWAJKJRDES-UHFFFAOYSA-N -2 0 348.380 2.467 20 0 EEADRL COc1ccc(C(=O)[O-])c2c1CN(C(=O)c1ccc(F)cc1[O-])CC2 ZINC001599498119 997054957 /nfs/dbraw/zinc/05/49/57/997054957.db2.gz USRBFFRKFMTNID-UHFFFAOYSA-N -2 0 345.326 2.437 20 0 EEADRL COCc1ccnc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])c1 ZINC001599296181 997146428 /nfs/dbraw/zinc/14/64/28/997146428.db2.gz CMGOTSMANAWCGG-UHFFFAOYSA-N -2 0 336.369 2.035 20 0 EEADRL COCc1ccnc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC001599296361 997150432 /nfs/dbraw/zinc/15/04/32/997150432.db2.gz IBGDGAHGLVNHMK-UHFFFAOYSA-N -2 0 336.369 2.035 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)ccc1F ZINC001599444949 997992927 /nfs/dbraw/zinc/99/29/27/997992927.db2.gz OUKZBOYRBSPIFC-UHFFFAOYSA-N -2 0 329.305 2.235 20 0 EEADRL Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000190396020 160159605 /nfs/dbraw/zinc/15/96/05/160159605.db2.gz YWWPHEOBFCLVDL-UHFFFAOYSA-N -2 0 346.368 2.008 20 0 EEADRL Cc1nc(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])cn1C ZINC000355781390 163300318 /nfs/dbraw/zinc/30/03/18/163300318.db2.gz CEZKNBPHHUHPCK-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL CCc1ncc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])s1 ZINC000359109836 164061916 /nfs/dbraw/zinc/06/19/16/164061916.db2.gz XJKGMWOOHWQHDU-UHFFFAOYSA-N -2 0 330.362 2.344 20 0 EEADRL Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000360498458 164323434 /nfs/dbraw/zinc/32/34/34/164323434.db2.gz BIZBKCWBULPRHZ-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cc(C3CC3)n(C)n2)cc(C(=O)[O-])c1C ZINC000290558186 275217948 /nfs/dbraw/zinc/21/79/48/275217948.db2.gz RJQDFWRXHITWEF-UHFFFAOYSA-N -2 0 349.412 2.413 20 0 EEADRL CCc1noc(C)c1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O ZINC000436763007 314996930 /nfs/dbraw/zinc/99/69/30/314996930.db2.gz HYNNQXGHYQCUTA-UHFFFAOYSA-N -2 0 340.357 2.058 20 0 EEADRL C[C@H]1CCCN(C(=O)c2nn(-c3ccccc3F)cc2[O-])[C@@H]1C(=O)[O-] ZINC000518755501 316743364 /nfs/dbraw/zinc/74/33/64/316743364.db2.gz AMSUXXKXQKKVBK-BONVTDFDSA-N -2 0 347.346 2.042 20 0 EEADRL O=C([O-])[C@H](NC(=O)c1ccc2n[nH]nc2c1)c1ccc(Cl)c(F)c1 ZINC000181891413 323359083 /nfs/dbraw/zinc/35/90/83/323359083.db2.gz JSFCNRWDVPBWER-CYBMUJFWSA-N -2 0 348.721 2.306 20 0 EEADRL O=C([O-])CC[C@@H]([N-]S(=O)(=O)CC(F)(F)F)c1ccccc1 ZINC000582298805 324424996 /nfs/dbraw/zinc/42/49/96/324424996.db2.gz DNRHPGUTZOULFW-SNVBAGLBSA-N -2 0 325.308 2.074 20 0 EEADRL CCn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cn1 ZINC000336849186 465051927 /nfs/dbraw/zinc/05/19/27/465051927.db2.gz QKCDMWUNWAFRLX-UHFFFAOYSA-N -2 0 329.765 2.055 20 0 EEADRL CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000339077328 465069199 /nfs/dbraw/zinc/06/91/99/465069199.db2.gz MFFPVOWJLHPKEY-UHFFFAOYSA-N -2 0 327.337 2.102 20 0 EEADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c1 ZINC000067660040 463033589 /nfs/dbraw/zinc/03/35/89/463033589.db2.gz UWNVTSYRLFRCRE-UHFFFAOYSA-N -3 0 345.329 2.084 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)cc1 ZINC000058281876 463566815 /nfs/dbraw/zinc/56/68/15/463566815.db2.gz UXJWTFDIDKYZTJ-UHFFFAOYSA-N -2 0 343.364 2.371 20 0 EEADRL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000165994739 463650581 /nfs/dbraw/zinc/65/05/81/463650581.db2.gz UELOFWCXPXWMFZ-UHFFFAOYSA-N -2 0 340.788 2.471 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc3c2OCCC3=O)c1 ZINC000371597367 465896148 /nfs/dbraw/zinc/89/61/48/465896148.db2.gz PDAKQXYYJVJZST-UHFFFAOYSA-N -2 0 347.348 2.151 20 0 EEADRL Cc1cc(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)ccc1C(=O)[O-] ZINC000349942624 466317866 /nfs/dbraw/zinc/31/78/66/466317866.db2.gz BMFKDJHHJDYZJZ-UHFFFAOYSA-N -2 0 349.364 2.121 20 0 EEADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1O ZINC000317581829 466581171 /nfs/dbraw/zinc/58/11/71/466581171.db2.gz HXFFZNZBHXNWNL-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(O)c1 ZINC000323057391 466636241 /nfs/dbraw/zinc/63/62/41/466636241.db2.gz JAPPEHIFUJWNPM-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL Cc1cc(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000432200126 467223226 /nfs/dbraw/zinc/22/32/26/467223226.db2.gz FBZTZPWMZUNZMP-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL CN(c1c(F)cccc1F)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000433513193 467337202 /nfs/dbraw/zinc/33/72/02/467337202.db2.gz QUWNCFDACMEGOO-UHFFFAOYSA-N -2 0 343.307 2.194 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)NCC2(C(=O)[O-])CCC2)n1 ZINC000659785883 471741559 /nfs/dbraw/zinc/74/15/59/471741559.db2.gz SIOXBCQMASVRFR-UHFFFAOYSA-N -2 0 343.383 2.125 20 0 EEADRL Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1O ZINC000676076634 486132106 /nfs/dbraw/zinc/13/21/06/486132106.db2.gz VOPISBSGAGMVBC-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL CN(CC(=O)[O-])Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000737988335 576026922 /nfs/dbraw/zinc/02/69/22/576026922.db2.gz RLNGTENSYGFXMT-UHFFFAOYSA-N -2 0 347.371 2.307 20 0 EEADRL Cc1oncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000768286333 577553212 /nfs/dbraw/zinc/55/32/12/577553212.db2.gz ZNIWMYLNGZJYSK-UHFFFAOYSA-N -2 0 330.749 2.444 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)cnc1Cl ZINC000745997214 577921147 /nfs/dbraw/zinc/92/11/47/577921147.db2.gz FDPCBAUWYXXYTF-UHFFFAOYSA-N -2 0 342.760 2.248 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)[O-])cc1 ZINC000738655306 578022964 /nfs/dbraw/zinc/02/29/64/578022964.db2.gz PWIOJGCXWRYOBD-UHFFFAOYSA-N -2 0 349.364 2.037 20 0 EEADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)n1 ZINC000739919666 578073433 /nfs/dbraw/zinc/07/34/33/578073433.db2.gz FWGYWDVGBCMYGS-SOFGYWHQSA-N -2 0 341.776 2.034 20 0 EEADRL C[C@H](C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccsc1 ZINC000736216966 578187655 /nfs/dbraw/zinc/18/76/55/578187655.db2.gz SXDXGFIMVYXNFJ-VIFPVBQESA-N -2 0 339.394 2.055 20 0 EEADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)CCC(=O)[O-])n2)c1 ZINC000817986198 597013615 /nfs/dbraw/zinc/01/36/15/597013615.db2.gz YYIOPUCZCNPNFN-UHFFFAOYSA-N -2 0 331.372 2.248 20 0 EEADRL O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000819626251 597316347 /nfs/dbraw/zinc/31/63/47/597316347.db2.gz MDQDDKJDZMTEOH-UHFFFAOYSA-N -2 0 327.308 2.393 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c(C(=O)[O-])[nH]1 ZINC000317334220 600254561 /nfs/dbraw/zinc/25/45/61/600254561.db2.gz KXPWTBYWQOTHHC-UHFFFAOYSA-N -2 0 334.275 2.239 20 0 EEADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccnn1C(C)C ZINC000831949584 601200972 /nfs/dbraw/zinc/20/09/72/601200972.db2.gz BKNPWOWYHDEWBT-UHFFFAOYSA-N -2 0 345.402 2.033 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2ccc(C)c(O)c2C)cc1C(=O)[O-] ZINC000832952880 601231964 /nfs/dbraw/zinc/23/19/64/601231964.db2.gz IUCZMMYVFJXVNA-UHFFFAOYSA-N -2 0 325.342 2.409 20 0 EEADRL CC(C)n1nccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000320041712 601358410 /nfs/dbraw/zinc/35/84/10/601358410.db2.gz RADBLSNYVYIFDZ-YVMONPNESA-N -2 0 335.385 2.363 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2nnc(C3CC3)s2)c1 ZINC000833318769 601502745 /nfs/dbraw/zinc/50/27/45/601502745.db2.gz VMAYTOPGHDSSNH-UHFFFAOYSA-N -2 0 343.361 2.054 20 0 EEADRL CCCc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)s1 ZINC000829573639 601503372 /nfs/dbraw/zinc/50/33/72/601503372.db2.gz CNSWQQBBXWVVHN-UHFFFAOYSA-N -2 0 345.377 2.129 20 0 EEADRL CC(C)CC1(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)CCC1 ZINC000826827096 601769823 /nfs/dbraw/zinc/76/98/23/601769823.db2.gz ZGMDSGPOMVNKGH-UHFFFAOYSA-N -2 0 345.442 2.468 20 0 EEADRL Cn1cc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)cc1C(=O)[O-] ZINC000833053478 601784102 /nfs/dbraw/zinc/78/41/02/601784102.db2.gz VQBTYEICRCTOMD-UHFFFAOYSA-N -2 0 349.343 2.211 20 0 EEADRL Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000832887966 602011281 /nfs/dbraw/zinc/01/12/81/602011281.db2.gz MZMDAKYHIYCMIW-UHFFFAOYSA-N -2 0 343.357 2.013 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)nc2)ccc1Cl ZINC000165783006 602156650 /nfs/dbraw/zinc/15/66/50/602156650.db2.gz DAIKUEVMXOKALX-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2nnc(C(F)F)s2)c1 ZINC000833344672 602212702 /nfs/dbraw/zinc/21/27/02/602212702.db2.gz YXCLIIOOYCLJPU-UHFFFAOYSA-N -2 0 341.342 2.036 20 0 EEADRL COc1ccc(O)c([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000832425200 602309794 /nfs/dbraw/zinc/30/97/94/602309794.db2.gz QXPKVEJOSRQUAQ-RUDMXATFSA-N -2 0 349.364 2.299 20 0 EEADRL O=C([O-])c1cncc([N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000062947014 604889518 /nfs/dbraw/zinc/88/95/18/604889518.db2.gz REHMFBBJBMNHDK-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])C1 ZINC000902820116 1238614873 /nfs/dbraw/zinc/61/48/73/1238614873.db2.gz PGSFNDIUPLNFOC-MRVWCRGKSA-N -2 0 331.368 2.168 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2cnn(C)c21 ZINC001185905983 1278841618 /nfs/dbraw/zinc/84/16/18/1278841618.db2.gz IRKUYKIDMCQJBM-UHFFFAOYSA-N -2 0 345.380 2.381 20 0 EEADRL CC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cnc1C ZINC001185878839 1278846648 /nfs/dbraw/zinc/84/66/48/1278846648.db2.gz FQTMVDJUWMBOOL-UHFFFAOYSA-N -2 0 348.380 2.400 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn2cc(F)ccc12 ZINC001185879805 1278849401 /nfs/dbraw/zinc/84/94/01/1278849401.db2.gz UWLLXPMJVYRNJG-UHFFFAOYSA-N -2 0 349.343 2.281 20 0 EEADRL Cc1oncc1S(=O)(=O)[N-]c1c(Cl)c(F)[n-]c(=O)c1Cl ZINC001187333970 1279493335 /nfs/dbraw/zinc/49/33/35/1279493335.db2.gz LYDQSXHTLIOKRA-UHFFFAOYSA-N -2 0 342.135 2.330 20 0 EEADRL O=C(N[C@H]1CCCC(F)(F)C1)c1ccccc1OP(=O)([O-])[O-] ZINC001189899714 1280571108 /nfs/dbraw/zinc/57/11/08/1280571108.db2.gz GPRHOVJYRFSOMY-VIFPVBQESA-N -2 0 335.243 2.466 20 0 EEADRL CC(C)c1nnc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)o1 ZINC001192100796 1281797502 /nfs/dbraw/zinc/79/75/02/1281797502.db2.gz ZQWSATOSUHSJJK-UHFFFAOYSA-N -2 0 339.373 2.011 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2ncc(F)s2)cc1C(=O)[O-] ZINC001192608930 1282075635 /nfs/dbraw/zinc/07/56/35/1282075635.db2.gz ZOKSLLFREVTJGM-UHFFFAOYSA-N -2 0 346.361 2.180 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[O-])cc2)c(F)c1 ZINC001196382573 1284036852 /nfs/dbraw/zinc/03/68/52/1284036852.db2.gz HACZJQXVKSXAKN-UHFFFAOYSA-N -2 0 345.373 2.182 20 0 EEADRL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000400456936 1296677867 /nfs/dbraw/zinc/67/78/67/1296677867.db2.gz JLQYAAIIQZNNOZ-RDDDGLTNSA-N -2 0 339.335 2.272 20 0 EEADRL COc1ccc(-c2noc(-c3ccccc3OP(=O)([O-])[O-])n2)cn1 ZINC001216745990 1297274779 /nfs/dbraw/zinc/27/47/79/1297274779.db2.gz KFGDCBXETXAQJB-UHFFFAOYSA-N -2 0 349.239 2.279 20 0 EEADRL COc1cnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc1NC1CC1 ZINC001242158799 1309621949 /nfs/dbraw/zinc/62/19/49/1309621949.db2.gz RBNGLLFCHLNHDF-UHFFFAOYSA-N -2 0 329.312 2.123 20 0 EEADRL COC(=O)[C@@H](C)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc1 ZINC001242160039 1309622617 /nfs/dbraw/zinc/62/26/17/1309622617.db2.gz CDGDABIOCOALHM-VIFPVBQESA-N -2 0 329.308 2.422 20 0 EEADRL CN1CCc2c(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)cccc2C1=O ZINC001242164057 1309625019 /nfs/dbraw/zinc/62/50/19/1309625019.db2.gz ZOAXKFXQNFWQHD-UHFFFAOYSA-N -2 0 325.320 2.378 20 0 EEADRL O=P([O-])([O-])OCCNC(=S)Nc1c(Cl)cccc1Cl ZINC001246268796 1310270963 /nfs/dbraw/zinc/27/09/63/1310270963.db2.gz RHSBHKZHOURGKR-UHFFFAOYSA-N -2 0 345.144 2.389 20 0 EEADRL O=P([O-])([O-])OCCNC(F)(F)C1(c2ccnc(Cl)c2)CC1 ZINC001157795353 1318866224 /nfs/dbraw/zinc/86/62/24/1318866224.db2.gz LCXGPXBJXBIXMN-UHFFFAOYSA-N -2 0 342.666 2.058 20 0 EEADRL O=P([O-])([O-])OCCNc1cc(-c2ccnc(Cl)c2)ccn1 ZINC001157788024 1318860923 /nfs/dbraw/zinc/86/09/23/1318860923.db2.gz WNSGDSKBODDVQF-UHFFFAOYSA-N -2 0 329.680 2.318 20 0 EEADRL CCOc1ccc(-c2ccc(NCCOP(=O)([O-])[O-])nn2)cc1 ZINC001157795382 1318865951 /nfs/dbraw/zinc/86/59/51/1318865951.db2.gz ALUFHTOFOSQAGN-UHFFFAOYSA-N -2 0 339.288 2.064 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2c(O)cc(F)cc2F)c1 ZINC001260215078 1319834100 /nfs/dbraw/zinc/83/41/00/1319834100.db2.gz HUAACWLXOKQQSC-UHFFFAOYSA-N -2 0 347.270 2.309 20 0 EEADRL O=C([O-])c1n[nH]c2ccc(NC(=O)c3cc(F)c([O-])c(F)c3)cc21 ZINC001608513685 1351707788 /nfs/dbraw/zinc/70/77/88/1351707788.db2.gz FEQOKYDMOMVDFE-UHFFFAOYSA-N -2 0 333.250 2.497 20 0 EEADRL O=C([O-])c1ncsc1S(=O)(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC001602583558 1350551131 /nfs/dbraw/zinc/55/11/31/1350551131.db2.gz VQTMNIOILYYJLG-LPEHRKFASA-N -2 0 330.431 2.088 20 0 EEADRL CC[C@@H](CC(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1)C(C)(C)C ZINC001604980279 1351044008 /nfs/dbraw/zinc/04/40/08/1351044008.db2.gz CBRCVRBFWKXMIB-MWDZPIOTSA-N -2 0 339.432 2.473 20 0 EEADRL Cc1ccc(S(=O)(=O)C=C([O-])c2cc(C(=O)[O-])[nH]c2C)s1 ZINC001607815868 1351564637 /nfs/dbraw/zinc/56/46/37/1351564637.db2.gz RTHCSTMJAFYAOJ-UHFFFAOYSA-N -2 0 327.383 2.048 20 0 EEADRL Nc1c([N-]S(=O)(=O)c2cnc3ccccc3c2)cccc1C(=O)[O-] ZINC001608272124 1351660108 /nfs/dbraw/zinc/66/01/08/1351660108.db2.gz JQJFNOSJTXUICW-UHFFFAOYSA-N -2 0 343.364 2.316 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)nn1 ZINC001608905284 1351790909 /nfs/dbraw/zinc/79/09/09/1351790909.db2.gz NSLUNHWLYPYDBI-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL CC(=O)c1ccccc1[N-]S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001609630439 1352045642 /nfs/dbraw/zinc/04/56/42/1352045642.db2.gz JBAYFGOFTKSFEJ-UHFFFAOYSA-N -2 0 325.386 2.276 20 0 EEADRL CC(C)(C)c1cnc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)s1 ZINC001609671159 1352055005 /nfs/dbraw/zinc/05/50/05/1352055005.db2.gz ZKWQZVMQEQPDNQ-UHFFFAOYSA-N -2 0 341.414 2.335 20 0 EEADRL CC(C)C[C@H](CNC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)C(=O)[O-] ZINC001609692820 1352060685 /nfs/dbraw/zinc/06/06/85/1352060685.db2.gz SMDJDQDWFYGKJL-CHWSQXEVSA-N -2 0 342.436 2.266 20 0 EEADRL CC(C)O[N-]C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-] ZINC001609711540 1352065420 /nfs/dbraw/zinc/06/54/20/1352065420.db2.gz RUVOJZILESBREB-UHFFFAOYSA-N -2 0 328.390 2.139 20 0 EEADRL CCc1onc(C)c1[N-]S(=O)(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC001610079381 1352157521 /nfs/dbraw/zinc/15/75/21/1352157521.db2.gz IBUJESVMLYLYQW-GFCCVEGCSA-N -2 0 338.385 2.156 20 0 EEADRL COc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC001610288179 1352200306 /nfs/dbraw/zinc/20/03/06/1352200306.db2.gz FQPQCRNLJHQCGM-UHFFFAOYSA-N -2 0 349.364 2.397 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2nnc(CC(C)C)o2)cc1C(=O)[O-] ZINC001610514101 1352236449 /nfs/dbraw/zinc/23/64/49/1352236449.db2.gz JZNNQOZZTHWPLL-UHFFFAOYSA-N -2 0 339.373 2.076 20 0 EEADRL Cc1cccc(S(=O)(=O)N(C)c2ccc(C(=O)[O-])cc2)c1C(=O)[O-] ZINC001610525148 1352238931 /nfs/dbraw/zinc/23/89/31/1352238931.db2.gz QHQVOQLDNXSQFA-UHFFFAOYSA-N -2 0 349.364 2.217 20 0 EEADRL Cn1cc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1C(=O)[O-] ZINC001610605478 1352252781 /nfs/dbraw/zinc/25/27/81/1352252781.db2.gz HCABWSZXFYAWQJ-UHFFFAOYSA-N -2 0 337.382 2.134 20 0 EEADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)CCC2CCCC2)cc1F ZINC001610701730 1352261767 /nfs/dbraw/zinc/26/17/67/1352261767.db2.gz JNGALXGLBFKFGC-UHFFFAOYSA-N -2 0 343.376 2.164 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)c1 ZINC001610867990 1352287566 /nfs/dbraw/zinc/28/75/66/1352287566.db2.gz QLCJRVUGFJYXCV-LLVKDONJSA-N -2 0 331.296 2.263 20 0 EEADRL O=C([O-])/C(=C/c1ccc(C(=O)[O-])cc1Cl)CN1CCC(=O)CC1 ZINC001610883250 1352290454 /nfs/dbraw/zinc/29/04/54/1352290454.db2.gz XJNAICJTPXEGHT-KPKJPENVSA-N -2 0 337.759 2.171 20 0 EEADRL O=S(=O)([N-]c1csc2ccccc12)c1ccc(-c2nnn[n-]2)o1 ZINC001593447314 1349801346 /nfs/dbraw/zinc/80/13/46/1349801346.db2.gz OXNXRZULGFKHNB-UHFFFAOYSA-N -2 0 347.381 2.475 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])n[nH]c1C(C)C ZINC001600009006 1349954598 /nfs/dbraw/zinc/95/45/98/1349954598.db2.gz RIYQGUMQFHYUKI-UHFFFAOYSA-N -2 0 341.364 2.480 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cnc3n2CCCC3)cc(C(=O)[O-])c1 ZINC001600283849 1350010581 /nfs/dbraw/zinc/01/05/81/1350010581.db2.gz FZTLYDWJZTWEPL-UHFFFAOYSA-N -2 0 335.385 2.027 20 0 EEADRL Cc1ccccc1NC(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001600584953 1350090520 /nfs/dbraw/zinc/09/05/20/1350090520.db2.gz BTRDQLJDUBJCED-JKGQDXBKSA-N -2 0 332.356 2.024 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cc(C2CC2)n(C)n1 ZINC001600654304 1350108172 /nfs/dbraw/zinc/10/81/72/1350108172.db2.gz CHRGZOOPPQYYIK-UHFFFAOYSA-N -2 0 341.414 2.166 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cc(C3CC3)nc(C)n2)oc1C(=O)[O-] ZINC001600716700 1350120219 /nfs/dbraw/zinc/12/02/19/1350120219.db2.gz ATYAHZHQSYEPDS-UHFFFAOYSA-N -2 0 337.357 2.063 20 0 EEADRL Cc1ncc(NC(=O)c2nn(-c3ccccc3)cc2[O-])cc1C(=O)[O-] ZINC001600742015 1350125664 /nfs/dbraw/zinc/12/56/64/1350125664.db2.gz GENBGGHDXWFRBW-UHFFFAOYSA-N -2 0 338.323 2.232 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)cc1C(=O)[O-] ZINC001600747933 1350127042 /nfs/dbraw/zinc/12/70/42/1350127042.db2.gz YMTXVZJWMCUPON-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL Cc1nn(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1C(=O)[O-] ZINC001600773959 1350133330 /nfs/dbraw/zinc/13/33/30/1350133330.db2.gz FBZYRVZFRAMZDZ-UHFFFAOYSA-N -2 0 349.412 2.106 20 0 EEADRL Cc1oc(C(=O)[O-])cc1C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001600825651 1350145522 /nfs/dbraw/zinc/14/55/22/1350145522.db2.gz MSZNMRATSAOLGF-QGZVFWFLSA-N -2 0 331.324 2.059 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2cc(CCC(C)C)n[nH]2)cc1C(=O)[O-] ZINC001600855914 1350153462 /nfs/dbraw/zinc/15/34/62/1350153462.db2.gz DGCXDGYVOFJWEC-UHFFFAOYSA-N -2 0 341.389 2.399 20 0 EEADRL O=C([O-])c1c(C2CC2)csc1NC(=O)C(=O)[N-]OCC1CCC1 ZINC001601562883 1350307463 /nfs/dbraw/zinc/30/74/63/1350307463.db2.gz AMTIETAFOHFORJ-UHFFFAOYSA-N -2 0 338.385 2.110 20 0 EEADRL O=C([O-])c1cc(NC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc2[nH]ccc21 ZINC001601586068 1350313588 /nfs/dbraw/zinc/31/35/88/1350313588.db2.gz PMSIXSTVYRYYKE-DTWKUNHWSA-N -2 0 331.328 2.241 20 0 EEADRL O=C([O-])[C@H](CNC(=O)C1(C(=O)[O-])CC1)Cc1ccc2ccccc2c1 ZINC001601649809 1350328569 /nfs/dbraw/zinc/32/85/69/1350328569.db2.gz YAWSSBGMOQZRAD-HNNXBMFYSA-N -2 0 341.363 2.064 20 0 EEADRL O=C([O-])[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccc(Cl)c(F)c1 ZINC001601664054 1350331932 /nfs/dbraw/zinc/33/19/32/1350331932.db2.gz BFYDXUZEZKNJOS-PTRXPTGYSA-N -2 0 343.738 2.222 20 0 EEADRL O=C([O-])/C=C\c1ccc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)cc1 ZINC001601885982 1350390523 /nfs/dbraw/zinc/39/05/23/1350390523.db2.gz RJHWGWFDHRRBAB-BAQGIRSFSA-N -2 0 345.380 2.253 20 0 EEADRL O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)c2cccc(F)c2[O-])C1 ZINC001602195303 1350462976 /nfs/dbraw/zinc/46/29/76/1350462976.db2.gz MSLWIISNKRMDAZ-SFYZADRCSA-N -2 0 335.253 2.257 20 0 EEADRL O=C([O-])[C@H]1CCCN(C(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])C1 ZINC001602212221 1350467375 /nfs/dbraw/zinc/46/73/75/1350467375.db2.gz PJSGCXITHMMQNI-JTQLQIEISA-N -2 0 349.774 2.168 20 0 EEADRL O=C([O-])c1cnc(C2CCN(c3ccc(C(=O)[O-])cn3)CC2)s1 ZINC001602369991 1350505761 /nfs/dbraw/zinc/50/57/61/1350505761.db2.gz OWAFASNBBNBGLF-UHFFFAOYSA-N -2 0 333.369 2.319 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2nccn2-c2ccccc2)c1 ZINC001602452793 1350522519 /nfs/dbraw/zinc/52/25/19/1350522519.db2.gz URPKBURESLYFGY-UHFFFAOYSA-N -2 0 343.364 2.371 20 0 EEADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)C[C@H]1CCCC(C)(C)C1 ZINC001603187725 1350659428 /nfs/dbraw/zinc/65/94/28/1350659428.db2.gz JLJBBQPOZPMWEB-SDDRHHMPSA-N -2 0 333.450 2.148 20 0 EEADRL CC(C)(C)c1csc([N-]S(=O)(=O)c2csnc2C(=O)[O-])n1 ZINC001603551063 1350718263 /nfs/dbraw/zinc/71/82/63/1350718263.db2.gz PNCKBOMMVRSVAF-UHFFFAOYSA-N -2 0 347.443 2.396 20 0 EEADRL CC(C)c1nc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2F)c[nH]1 ZINC001604018537 1350830700 /nfs/dbraw/zinc/83/07/00/1350830700.db2.gz MRFHEYQZSZCDMP-UHFFFAOYSA-N -2 0 345.327 2.310 20 0 EEADRL C[C@@]1([N-]C(=O)C(F)(F)F)CC[N@H+](Cc2ccc(/C=C/C(=O)[O-])o2)C1 ZINC001604589459 1350965699 /nfs/dbraw/zinc/96/56/99/1350965699.db2.gz PKOLDTSKNDLVQF-ISZGNANSSA-N -2 0 346.305 2.020 20 0 EEADRL C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C[C@@H]1C ZINC001604692355 1350986048 /nfs/dbraw/zinc/98/60/48/1350986048.db2.gz JCCJBDSHZAGBII-KXUCPTDWSA-N -2 0 345.442 2.324 20 0 EEADRL C[C@H]1CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001604723409 1350991681 /nfs/dbraw/zinc/99/16/81/1350991681.db2.gz ANDXSEFBKCTISM-NWDGAFQWSA-N -2 0 339.413 2.406 20 0 EEADRL C[C@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])[C@@H](C(=O)[O-])C1 ZINC001604748919 1350996360 /nfs/dbraw/zinc/99/63/60/1350996360.db2.gz JJOSUWMPTKWARW-GXFFZTMASA-N -2 0 347.346 2.042 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC)cc1O ZINC001605885909 1351246756 /nfs/dbraw/zinc/24/67/56/1351246756.db2.gz ZTEOQTIOBSHDOK-UHFFFAOYSA-N -2 0 341.341 2.055 20 0 EEADRL COc1cc(NC(=O)c2cc(C)cc(C=O)c2[O-])ccc1C(=O)[O-] ZINC001607178893 1351443977 /nfs/dbraw/zinc/44/39/77/1351443977.db2.gz AFZIHDCCTXMQKI-UHFFFAOYSA-N -2 0 329.308 2.472 20 0 EEADRL COc1ccc(C(=O)[O-])c2c1CN(c1cccc(C(=O)[O-])n1)CC2 ZINC001607215412 1351450975 /nfs/dbraw/zinc/45/09/75/1351450975.db2.gz RYUQNRZSZFXCHX-UHFFFAOYSA-N -2 0 328.324 2.049 20 0 EEADRL Cc1cc([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])nn1[C@H](C)C1CC1 ZINC001607695800 1351541413 /nfs/dbraw/zinc/54/14/13/1351541413.db2.gz RFUVYHNOMZTXOE-SNVBAGLBSA-N -2 0 329.422 2.015 20 0 EEADRL O=C([O-])C[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3)cc2[O-])CC1 ZINC000794207267 1367715338 /nfs/dbraw/zinc/71/53/38/1367715338.db2.gz ALABYXJHMGNRKM-CYBMUJFWSA-N -2 0 343.383 2.295 20 0 EEADRL Cc1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)nc1C ZINC001187547639 1368250545 /nfs/dbraw/zinc/25/05/45/1368250545.db2.gz FLFJLJNDOVNPQL-UHFFFAOYSA-N -2 0 341.776 2.246 20 0 EEADRL O=P([O-])([O-])OCCNc1ccc(Oc2ccc(Cl)cc2)nn1 ZINC001168587653 790553664 /nfs/dbraw/zinc/55/36/64/790553664.db2.gz UMKQMLGTTUWIED-UHFFFAOYSA-N -2 0 345.679 2.444 20 0 EEADRL CCSCC[C@H](C)N(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000906882633 784208409 /nfs/dbraw/zinc/20/84/09/784208409.db2.gz YAJGJIMIVMGAGJ-JTQLQIEISA-N -2 0 347.458 2.243 20 0 EEADRL Cc1cccc(Nc2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])c1 ZINC001173808902 797641860 /nfs/dbraw/zinc/64/18/60/797641860.db2.gz OCZLUBSMLBGBNG-UHFFFAOYSA-N -2 0 343.382 2.232 20 0 EEADRL O=C([O-])c1cc(Nc2ccnn2Cc2cccnc2)cc(C(=O)[O-])c1 ZINC001176236550 798390282 /nfs/dbraw/zinc/39/02/82/798390282.db2.gz OEERAWOECDDAKJ-UHFFFAOYSA-N -2 0 338.323 2.466 20 0 EEADRL COCCOc1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccn1 ZINC001176238209 798390748 /nfs/dbraw/zinc/39/07/48/798390748.db2.gz PDQBLYTZGWFHJQ-UHFFFAOYSA-N -2 0 332.312 2.247 20 0 EEADRL Cc1ccc(C2(C(=O)NCCOP(=O)([O-])[O-])CCCCC2)cc1 ZINC001181871310 800941588 /nfs/dbraw/zinc/94/15/88/800941588.db2.gz ICTPMFPHMKKRSH-UHFFFAOYSA-N -2 0 341.344 2.422 20 0 EEADRL COc1ccc(C(C)(C)CC(=O)NCCCC[P@@](=O)([O-])O)cc1 ZINC001182439181 801176003 /nfs/dbraw/zinc/17/60/03/801176003.db2.gz VUSCBSUPFHPAIY-UHFFFAOYSA-N -2 0 343.360 2.437 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2ccn3ccnc3c2)cc1C(=O)[O-] ZINC001184669892 802104812 /nfs/dbraw/zinc/10/48/12/802104812.db2.gz KDJYAUOSQVZDBX-UHFFFAOYSA-N -2 0 331.353 2.142 20 0 EEADRL CSc1ncc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cn1 ZINC001184666862 802125720 /nfs/dbraw/zinc/12/57/20/802125720.db2.gz BXGZOQIBSPSFFH-UHFFFAOYSA-N -2 0 339.398 2.006 20 0 EEADRL O=P([O-])([O-])c1ccc(NCc2cc(F)cc3c2OCOC3)cc1 ZINC001169098944 803609649 /nfs/dbraw/zinc/60/96/49/803609649.db2.gz NRWCWFMGCYQPQM-UHFFFAOYSA-N -2 0 339.259 2.107 20 0 EEADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2n[nH]cc2c1 ZINC000325771836 971242663 /nfs/dbraw/zinc/24/26/63/971242663.db2.gz WFVQTFBHSWRXFA-UHFFFAOYSA-N -2 0 347.352 2.071 20 0 EEADRL CC[C@]1(C(=O)[O-])CCCN(C(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC001589605251 949245928 /nfs/dbraw/zinc/24/59/28/949245928.db2.gz PMMKFJUSHOUEOH-SFHVURJKSA-N -2 0 343.383 2.295 20 0 EEADRL CCc1ccc(S(=O)(=O)[N-]c2ccn(C(C)(C)C(=O)[O-])n2)s1 ZINC001593640573 953641502 /nfs/dbraw/zinc/64/15/02/953641502.db2.gz DBEUNJHLPIVALM-UHFFFAOYSA-N -2 0 343.430 2.128 20 0 EEADRL O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1c([O-])cc(F)cc1F ZINC001594962190 955021845 /nfs/dbraw/zinc/02/18/45/955021845.db2.gz AEQXXOHCCMVRDV-OAHLLOKOSA-N -2 0 333.290 2.495 20 0 EEADRL COCc1ccccc1[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000037018554 957258573 /nfs/dbraw/zinc/25/85/73/957258573.db2.gz XWKHPPNUZFHQNO-UHFFFAOYSA-N -2 0 327.383 2.394 20 0 EEADRL Cc1noc(C)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])c(F)cc1F ZINC000047317882 957455074 /nfs/dbraw/zinc/45/50/74/957455074.db2.gz CVGHCUNUYVBTBX-UHFFFAOYSA-N -2 0 332.284 2.069 20 0 EEADRL Cc1cnc(C(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)c([O-])c1 ZINC001571216091 962498948 /nfs/dbraw/zinc/49/89/48/962498948.db2.gz DTLAWBRZOLPXQX-SECBINFHSA-N -2 0 334.303 2.339 20 0 EEADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]c1cnc2ccccc2c1 ZINC000316956343 964080308 /nfs/dbraw/zinc/08/03/08/964080308.db2.gz XUUQHCPWUNIUJC-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL CC(C)c1occc1C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001592102619 976872266 /nfs/dbraw/zinc/87/22/66/976872266.db2.gz MJEGRWFYIHGOQY-UHFFFAOYSA-N -2 0 343.382 2.281 20 0 EEADRL C[C@](Cc1ccc(Cl)cc1)(NC(=O)CCCCC(=O)[O-])C(=O)[O-] ZINC001592838875 979591928 /nfs/dbraw/zinc/59/19/28/979591928.db2.gz RCOJBUPCMQQVQM-MRXNPFEDSA-N -2 0 341.791 2.487 20 0 EEADRL CCCc1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)n1 ZINC001596074719 983389888 /nfs/dbraw/zinc/38/98/88/983389888.db2.gz JOEORSYLPLXMCG-UHFFFAOYSA-N -2 0 330.387 2.496 20 0 EEADRL C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1c1ncccc1C(=O)[O-] ZINC001594566926 986356593 /nfs/dbraw/zinc/35/65/93/986356593.db2.gz BTVKCSQAIBTZSW-LBPRGKRZSA-N -2 0 341.367 2.193 20 0 EEADRL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)C1 ZINC001589609605 987454981 /nfs/dbraw/zinc/45/49/81/987454981.db2.gz HSBMQPOTEZVBHL-CHWSQXEVSA-N -2 0 340.420 2.020 20 0 EEADRL CC(C)(C(=O)[O-])n1ccc([N-]S(=O)(=O)c2sccc2Cl)n1 ZINC001589680672 987705507 /nfs/dbraw/zinc/70/55/07/987705507.db2.gz KLFXNCSZGKLWPH-UHFFFAOYSA-N -2 0 349.821 2.219 20 0 EEADRL CCc1ccc(CS(=O)(=O)[N-]C(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC001597530064 988178611 /nfs/dbraw/zinc/17/86/11/988178611.db2.gz CJQCNAKNZWBHGP-UHFFFAOYSA-N -2 0 347.392 2.207 20 0 EEADRL CCc1ccc(NC(=O)C(C)(C)SCC(=O)[O-])c(C(=O)[O-])c1 ZINC001597543242 988240118 /nfs/dbraw/zinc/24/01/18/988240118.db2.gz XZANRBKCOIWAKL-UHFFFAOYSA-N -2 0 325.386 2.482 20 0 EEADRL COc1ccccc1S(=O)(=O)[N-]c1cnc(C(=O)[O-])c(Cl)c1 ZINC001599718251 991493835 /nfs/dbraw/zinc/49/38/35/991493835.db2.gz OTVQUODWWHVFRC-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL COc1ncccc1S(=O)(=O)[N-]c1c(C)sc(C)c1C(=O)[O-] ZINC001599739452 991825704 /nfs/dbraw/zinc/82/57/04/991825704.db2.gz YADOPCWDULHIOC-UHFFFAOYSA-N -2 0 342.398 2.268 20 0 EEADRL CC(C)C[C@@H](CNC(=O)Nc1ccc(C(=O)[O-])c(F)c1)C(=O)[O-] ZINC001591150695 991893224 /nfs/dbraw/zinc/89/32/24/991893224.db2.gz KLFHKBWDOOMWKV-VIFPVBQESA-N -2 0 326.324 2.392 20 0 EEADRL CC(C)C[C@@H](CNC(=O)Nc1ccc(OCC(=O)[O-])cc1)C(=O)[O-] ZINC001591150687 991893279 /nfs/dbraw/zinc/89/32/79/991893279.db2.gz JXWCIXPVPGODRF-NSHDSACASA-N -2 0 338.360 2.018 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)c(F)c1 ZINC001599616482 994021522 /nfs/dbraw/zinc/02/15/22/994021522.db2.gz AXDFWBPXAQFDRT-UHFFFAOYSA-N -2 0 331.346 2.395 20 0 EEADRL COc1cccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c1O ZINC001599680490 994972391 /nfs/dbraw/zinc/97/23/91/994972391.db2.gz UABLVMGFUJAINM-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001593659826 996036377 /nfs/dbraw/zinc/03/63/77/996036377.db2.gz XSAZFRJNYHCRQQ-RITPCOANSA-N -2 0 333.312 2.196 20 0 EEADRL COc1cc(C)cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c1C ZINC001599393635 997085256 /nfs/dbraw/zinc/08/52/56/997085256.db2.gz GVCBIPRRVYGWLI-UHFFFAOYSA-N -2 0 342.398 2.268 20 0 EEADRL COc1cc(C(=O)[O-])ccc1CCNC(=O)c1cc(F)ccc1O ZINC001599364699 998318378 /nfs/dbraw/zinc/31/83/78/998318378.db2.gz ABPRFVBLOLLZIJ-UHFFFAOYSA-N -2 0 333.315 2.211 20 0 EEADRL COc1ccc(O)c(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000342761569 161088384 /nfs/dbraw/zinc/08/83/84/161088384.db2.gz UMHIPMHUVPSXLC-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)[O-])cc2)cc1C(=O)[O-] ZINC000358852646 163999053 /nfs/dbraw/zinc/99/90/53/163999053.db2.gz KPOWUYZOSOUBGZ-UHFFFAOYSA-N -2 0 349.364 2.217 20 0 EEADRL Cc1noc2ncc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)cc12 ZINC000360229148 164263027 /nfs/dbraw/zinc/26/30/27/164263027.db2.gz AHRBADNAMRRYBY-UHFFFAOYSA-N -2 0 333.325 2.030 20 0 EEADRL Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O ZINC000436993751 315021390 /nfs/dbraw/zinc/02/13/90/315021390.db2.gz GWGANLCQEGFCMY-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL Cc1cc(C)cc([C@H]([N-]S(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-])c1 ZINC000547585552 318301291 /nfs/dbraw/zinc/30/12/91/318301291.db2.gz SBYRQIYYXLZOSA-KOLCDFICSA-N -2 0 339.335 2.299 20 0 EEADRL CC(C)c1nc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cn1C ZINC000581294937 324222580 /nfs/dbraw/zinc/22/25/80/324222580.db2.gz SLPZBPLHLBVERT-UHFFFAOYSA-N -2 0 341.364 2.182 20 0 EEADRL COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000336865649 465059722 /nfs/dbraw/zinc/05/97/22/465059722.db2.gz YFGPTPQBMMCPIA-UHFFFAOYSA-N -2 0 335.381 2.432 20 0 EEADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1 ZINC000055548545 463330874 /nfs/dbraw/zinc/33/08/74/463330874.db2.gz NMMQNOJQIPELEJ-UHFFFAOYSA-N -2 0 349.364 2.446 20 0 EEADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1cc2c(cc1C(=O)[O-])CCCC2 ZINC000337795552 465587403 /nfs/dbraw/zinc/58/74/03/465587403.db2.gz CYIUEMTZWZJJEC-UHFFFAOYSA-N -2 0 335.385 2.096 20 0 EEADRL CCc1oncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000337852254 465630212 /nfs/dbraw/zinc/63/02/12/465630212.db2.gz JSAZCUYANPCPGN-UHFFFAOYSA-N -2 0 336.369 2.225 20 0 EEADRL Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000315661527 466563209 /nfs/dbraw/zinc/56/32/09/466563209.db2.gz YVPMYURHTCZPKK-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)ccc1C(=O)[O-] ZINC000378612463 467354781 /nfs/dbraw/zinc/35/47/81/467354781.db2.gz WRPOALQRHTZOFO-UHFFFAOYSA-N -2 0 335.385 2.027 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)n1C ZINC000629294622 469493161 /nfs/dbraw/zinc/49/31/61/469493161.db2.gz ZLYOILLVZPCXJW-JTQLQIEISA-N -2 0 337.401 2.108 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)NC[C@@H](C(=O)[O-])C(C)C)n1 ZINC000656232096 471643472 /nfs/dbraw/zinc/64/34/72/471643472.db2.gz UXAUJBIUHDNDPU-CYBMUJFWSA-N -2 0 345.399 2.227 20 0 EEADRL CC(C)[C@@H](CNC(=O)N=c1[n-]nc(-c2ccsc2)s1)C(=O)[O-] ZINC000653536704 471656009 /nfs/dbraw/zinc/65/60/09/471656009.db2.gz FCSHKMZJDAWZPL-SECBINFHSA-N -2 0 340.430 2.167 20 0 EEADRL Cc1[nH]c(C([O-])=CS(=O)(=O)c2cccs2)c(C)c1C(=O)[O-] ZINC000738156256 578001738 /nfs/dbraw/zinc/00/17/38/578001738.db2.gz SBKBPWQMDQEPCR-UHFFFAOYSA-N -2 0 327.383 2.048 20 0 EEADRL CSc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cn1 ZINC000738212202 578003916 /nfs/dbraw/zinc/00/39/16/578003916.db2.gz KYMWQBLAKDBHDJ-UHFFFAOYSA-N -2 0 338.410 2.231 20 0 EEADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-]C[C@H](CC1CCCC1)C(=O)[O-] ZINC000776556401 576127043 /nfs/dbraw/zinc/12/70/43/576127043.db2.gz ZVNOWNSZWHRZBK-WPRPVWTQSA-N -2 0 331.356 2.138 20 0 EEADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2)c(C(=O)[O-])s1 ZINC000737681528 576171686 /nfs/dbraw/zinc/17/16/86/576171686.db2.gz RMCKMHFJKAPMRR-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000740146895 576364408 /nfs/dbraw/zinc/36/44/08/576364408.db2.gz WTTNZBQQWRXKBL-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])CCc1ccc(NC(=O)C[C@]2(C(=O)[O-])CCSC2)cc1 ZINC000739755979 576748191 /nfs/dbraw/zinc/74/81/91/576748191.db2.gz IJEREDWAKAMWTB-MRXNPFEDSA-N -2 0 337.397 2.240 20 0 EEADRL Cn1ncc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c1C(=O)[O-] ZINC000774622266 577407104 /nfs/dbraw/zinc/40/71/04/577407104.db2.gz PPUIZNVCNWPWMO-UHFFFAOYSA-N -2 0 337.401 2.217 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2O)cc(C(=O)[O-])c1F ZINC000765100703 577494992 /nfs/dbraw/zinc/49/49/92/577494992.db2.gz MHCCHPKASSMOKN-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736964047 578231470 /nfs/dbraw/zinc/23/14/70/578231470.db2.gz CONQIBDMQIDCJP-SNVBAGLBSA-N -2 0 328.390 2.272 20 0 EEADRL CCN1CCc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)cc21 ZINC000737122023 578239195 /nfs/dbraw/zinc/23/91/95/578239195.db2.gz GJFYCASQIOOVFG-UHFFFAOYSA-N -2 0 336.369 2.161 20 0 EEADRL O=C([O-])[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccccc2Cl)C1 ZINC000833184700 601236247 /nfs/dbraw/zinc/23/62/47/601236247.db2.gz SHMGCWDRWGGKPX-ZJUUUORDSA-N -2 0 345.804 2.036 20 0 EEADRL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000830049497 601835733 /nfs/dbraw/zinc/83/57/33/601835733.db2.gz DSPNCCVTCGCTOI-UHFFFAOYSA-N -2 0 346.361 2.180 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)s1 ZINC000833324486 601848149 /nfs/dbraw/zinc/84/81/49/601848149.db2.gz SLLHBUVTMGBRIB-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL O=C([O-])CN(C(=O)c1nn(-c2ccccc2)cc1[O-])C1CCCC1 ZINC000833248317 601874070 /nfs/dbraw/zinc/87/40/70/601874070.db2.gz MLJIHHYHLZRZMU-UHFFFAOYSA-N -2 0 329.356 2.047 20 0 EEADRL O=C([O-])c1csc([N-]S(=O)(=O)CCOc2ccc(F)cc2)c1 ZINC000833343698 602116282 /nfs/dbraw/zinc/11/62/82/602116282.db2.gz MLLDWDZGEITVNA-UHFFFAOYSA-N -2 0 345.373 2.406 20 0 EEADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2csnc2C(=O)[O-])c1 ZINC000832362750 602155766 /nfs/dbraw/zinc/15/57/66/602155766.db2.gz QOLAGHOLURESRL-UHFFFAOYSA-N -2 0 348.789 2.304 20 0 EEADRL Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)[C@@H](C)CC(=O)[O-] ZINC000832922571 602178623 /nfs/dbraw/zinc/17/86/23/602178623.db2.gz BTCRLRRVIDNFKM-NSHDSACASA-N -2 0 341.429 2.208 20 0 EEADRL C[C@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000828221757 602383299 /nfs/dbraw/zinc/38/32/99/602383299.db2.gz XNAMOYGJFRDMQN-IUCAKERBSA-N -2 0 331.415 2.078 20 0 EEADRL Cc1[nH]nc2ncc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3C)cc12 ZINC000833747881 605022315 /nfs/dbraw/zinc/02/23/15/605022315.db2.gz MZIPVFRUFJZIQU-UHFFFAOYSA-N -2 0 346.368 2.074 20 0 EEADRL O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1n[n-]c2ccccc2c1=O ZINC000803408418 1240300565 /nfs/dbraw/zinc/30/05/65/1240300565.db2.gz GNEFNDQJKCKNGA-UHFFFAOYSA-N -2 0 348.322 2.078 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(Cl)nc1C ZINC001185875544 1278812801 /nfs/dbraw/zinc/81/28/01/1278812801.db2.gz FPNQRVAYWBCFFZ-UHFFFAOYSA-N -2 0 341.776 2.246 20 0 EEADRL CC(C)c1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)on1 ZINC001186143649 1278968263 /nfs/dbraw/zinc/96/82/63/1278968263.db2.gz PFUCHIQDBOUACD-UHFFFAOYSA-N -2 0 328.321 2.436 20 0 EEADRL O=C([O-])COc1ccc(S(=O)(=O)Nc2ccnc(C3CC3)c2)cc1 ZINC001192685423 1282103999 /nfs/dbraw/zinc/10/39/99/1282103999.db2.gz MLZLRZYMYNHIIU-UHFFFAOYSA-N -2 0 348.380 2.223 20 0 EEADRL Cc1conc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001193973886 1282798961 /nfs/dbraw/zinc/79/89/61/1282798961.db2.gz YDQBXXJQTPDRRL-UHFFFAOYSA-N -2 0 334.712 2.275 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2ccc3[n-]c(=S)sc3c2)n1C ZINC001198398171 1285160110 /nfs/dbraw/zinc/16/01/10/1285160110.db2.gz CVQBIWGMLYZIOI-UHFFFAOYSA-N -2 0 340.455 2.428 20 0 EEADRL CC(=O)[N-]S(=O)(=O)c1ccc(Nc2ccsc2C(=O)[O-])cc1 ZINC001215392156 1296888086 /nfs/dbraw/zinc/88/80/86/1296888086.db2.gz WCHDNHNJPDLEFQ-UHFFFAOYSA-N -2 0 340.382 2.015 20 0 EEADRL CCOC(=O)CC1CC(Oc2ccc(OP(=O)([O-])[O-])cc2)C1 ZINC001234333183 1304878708 /nfs/dbraw/zinc/87/87/08/1304878708.db2.gz UVZKBKDFYWFNKQ-UHFFFAOYSA-N -2 0 330.273 2.269 20 0 EEADRL Cc1c(/C=C/c2cn(CC(=O)[O-])nn2)nc2ccccc2c1C(=O)[O-] ZINC001253704286 1317917925 /nfs/dbraw/zinc/91/79/25/1317917925.db2.gz XAUZNYROIVUDGK-VOTSOKGWSA-N -2 0 338.323 2.088 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccn2)c(F)cc1Cl ZINC001259211999 1319488018 /nfs/dbraw/zinc/48/80/18/1319488018.db2.gz ASBHBRBHZAXFJF-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL CC(C)Cc1cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)on1 ZINC001260393256 1319883448 /nfs/dbraw/zinc/88/34/48/1319883448.db2.gz QVDOQGGKRJQMBW-UHFFFAOYSA-N -2 0 340.357 2.078 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C3CC3)n(C)n2)c(C(=O)[O-])c1 ZINC001600482936 1350062285 /nfs/dbraw/zinc/06/22/85/1350062285.db2.gz OTQCCKNTSVWCSA-UHFFFAOYSA-N -2 0 335.385 2.105 20 0 EEADRL O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC001608600136 1351723578 /nfs/dbraw/zinc/72/35/78/1351723578.db2.gz UBGSWCIBZVKFGN-NRUUGDAUSA-N -2 0 332.381 2.442 20 0 EEADRL O=C([O-])C1CC2(C1)CN(c1ncccc1C(F)(F)F)C[C@H]2C(=O)[O-] ZINC001608611560 1351725705 /nfs/dbraw/zinc/72/57/05/1351725705.db2.gz SYGALQPFNIBQMX-CFEOFWIRSA-N -2 0 344.289 2.102 20 0 EEADRL O=C([O-])[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)CCC2CCCCC2)C1 ZINC001608622394 1351727845 /nfs/dbraw/zinc/72/78/45/1351727845.db2.gz WLEZGLLOGKIFMK-ZIAGYGMSSA-N -2 0 345.461 2.294 20 0 EEADRL O=C([O-])[C@H]1CCCCCN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC001608628904 1351729230 /nfs/dbraw/zinc/72/92/30/1351729230.db2.gz HVNXVGJLNNQJGP-CYBMUJFWSA-N -2 0 347.346 2.186 20 0 EEADRL O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1ccc(Cl)c([O-])c1 ZINC001608721187 1351748947 /nfs/dbraw/zinc/74/89/47/1351748947.db2.gz AWIUVZHYCLNTHK-LLVKDONJSA-N -2 0 327.764 2.142 20 0 EEADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC001609009705 1351813556 /nfs/dbraw/zinc/81/35/56/1351813556.db2.gz DLPTZVCHIRTRRS-ZJUUUORDSA-N -2 0 343.426 2.078 20 0 EEADRL CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001609881820 1352110549 /nfs/dbraw/zinc/11/05/49/1352110549.db2.gz PUBWRTITPHMGFP-UHFFFAOYSA-N -2 0 338.341 2.127 20 0 EEADRL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(F)(F)F ZINC001609901902 1352115188 /nfs/dbraw/zinc/11/51/88/1352115188.db2.gz VOJLPNKTAPKIRZ-RCOVLWMOSA-N -2 0 329.296 2.233 20 0 EEADRL C[N@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1cccc(C(=O)[O-])c1 ZINC001610123533 1352167122 /nfs/dbraw/zinc/16/71/22/1352167122.db2.gz DDMARVWTGPWSQZ-UHFFFAOYSA-N -2 0 329.352 2.480 20 0 EEADRL C[C@@]1(C(=O)[O-])CCCN1C(=O)c1cccc(Br)c1[O-] ZINC001610394430 1352215610 /nfs/dbraw/zinc/21/56/10/1352215610.db2.gz XKRAXLJOXXNIQC-ZDUSSCGKSA-N -2 0 328.162 2.234 20 0 EEADRL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001610463519 1352227012 /nfs/dbraw/zinc/22/70/12/1352227012.db2.gz HLEUGPZVONXGLI-UHFFFAOYSA-N -2 0 340.788 2.471 20 0 EEADRL C[C@H](c1ccccc1)[C@@H]([N-]S(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-] ZINC000849218781 1339149763 /nfs/dbraw/zinc/14/97/63/1339149763.db2.gz IQTHBEKXHWHYOB-FXPVBKGRSA-N -2 0 339.335 2.114 20 0 EEADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)c1C(=O)[O-] ZINC001610549911 1352243041 /nfs/dbraw/zinc/24/30/41/1352243041.db2.gz OLXUSXDYCKUVAW-UHFFFAOYSA-N -2 0 346.368 2.212 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)n2)c[nH]1 ZINC001610816728 1352279544 /nfs/dbraw/zinc/27/95/44/1352279544.db2.gz MMMCZMJDLZZZKO-UHFFFAOYSA-N -2 0 336.156 2.216 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nccn2-c2ccccc2)cc1 ZINC001610840526 1352283248 /nfs/dbraw/zinc/28/32/48/1352283248.db2.gz UYCFLWXUKJAYOS-UHFFFAOYSA-N -2 0 343.364 2.371 20 0 EEADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2CO)c1 ZINC000013345746 1352318305 /nfs/dbraw/zinc/31/83/05/1352318305.db2.gz MCPRNUSZKJPHCT-UHFFFAOYSA-N -2 0 341.772 2.331 20 0 EEADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cnc(C(=O)[O-])cn2)c(C)c1F ZINC001600165316 1349983767 /nfs/dbraw/zinc/98/37/67/1349983767.db2.gz ZAIQOEQEODSSAM-UHFFFAOYSA-N -2 0 339.348 2.040 20 0 EEADRL Cc1cc(NS(=O)(=O)c2ccccc2C(=O)[O-])cc(C(=O)[O-])c1 ZINC001600283861 1350010547 /nfs/dbraw/zinc/01/05/47/1350010547.db2.gz HGNYEVPMJDNMDF-UHFFFAOYSA-N -2 0 335.337 2.192 20 0 EEADRL Cc1ccc([C@H](CNC(=O)[C@@H](C(=O)[O-])C2CCCC2)C(=O)[O-])cc1 ZINC001600375734 1350033807 /nfs/dbraw/zinc/03/38/07/1350033807.db2.gz RPEYGQUCPGOBSF-GJZGRUSLSA-N -2 0 333.384 2.170 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)c1cc(C)ccc1C ZINC001600387147 1350037413 /nfs/dbraw/zinc/03/74/13/1350037413.db2.gz INKRLCUCKSOODP-UHFFFAOYSA-N -2 0 337.353 2.022 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)c2cccnc12 ZINC001600464026 1350057979 /nfs/dbraw/zinc/05/79/79/1350057979.db2.gz NEBPPSJZBYWUQF-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL O=C([O-])C1CC2(C1)C[C@H](NC(=O)c1cccc(F)c1[O-])CCS2 ZINC001601445625 1350285110 /nfs/dbraw/zinc/28/51/10/1350285110.db2.gz LDOWNMSOZDADCB-IAZHFHGHSA-N -2 0 339.388 2.390 20 0 EEADRL O=C([O-])CCC1CCN(C(=O)NCc2ccc(C(=O)[O-])s2)CC1 ZINC001601977882 1350409629 /nfs/dbraw/zinc/40/96/29/1350409629.db2.gz ZDFYIUXILUEJEY-UHFFFAOYSA-N -2 0 340.401 2.233 20 0 EEADRL O=C([O-])CCCc1nnc(NC(=O)c2coc3c2C(=O)CCC3)s1 ZINC001602003160 1350416039 /nfs/dbraw/zinc/41/60/39/1350416039.db2.gz FMFMYWCWFQRCGA-UHFFFAOYSA-N -2 0 349.368 2.310 20 0 EEADRL O=C([O-])c1ccc(Cl)c(C(=O)[N-]S(=O)(=O)c2ccccc2)c1 ZINC001602356343 1350503228 /nfs/dbraw/zinc/50/32/28/1350503228.db2.gz VJZLISQQCHOWBC-UHFFFAOYSA-N -2 0 339.756 2.157 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)s1 ZINC001602401973 1350510813 /nfs/dbraw/zinc/51/08/13/1350510813.db2.gz XZJLPJBYZAVKAZ-UHFFFAOYSA-N -2 0 349.393 2.433 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnoc2C2CC2)cc1F ZINC001602402251 1350510899 /nfs/dbraw/zinc/51/08/99/1350510899.db2.gz STYBVOUARYQOJF-UHFFFAOYSA-N -2 0 326.305 2.190 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCC3(CC3)C2)c1 ZINC001602451903 1350522385 /nfs/dbraw/zinc/52/23/85/1350522385.db2.gz ROQIBZRGCYLQJN-LBPRGKRZSA-N -2 0 337.397 2.160 20 0 EEADRL O=C([O-])c1cnc(N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)c(Cl)c1 ZINC001602524654 1350538421 /nfs/dbraw/zinc/53/84/21/1350538421.db2.gz FEWNXEJOWJWMBO-NSHDSACASA-N -2 0 338.669 2.277 20 0 EEADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2nccc3ccncc32)c1 ZINC001602564898 1350548013 /nfs/dbraw/zinc/54/80/13/1350548013.db2.gz QVICJMVYJLNMBE-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]c1nc2ccsc2s1 ZINC001602585357 1350551777 /nfs/dbraw/zinc/55/17/77/1350551777.db2.gz RFTPDGXSMBEUTQ-UHFFFAOYSA-N -2 0 347.424 2.313 20 0 EEADRL O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)c2cccc(F)c2[O-])C1 ZINC001602626726 1350560883 /nfs/dbraw/zinc/56/08/83/1350560883.db2.gz MFGSKLFDIJLMCD-SFHVURJKSA-N -2 0 329.327 2.400 20 0 EEADRL C[C@H](CCC[C@@H](C)C(=O)[O-])NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC001604132971 1350868122 /nfs/dbraw/zinc/86/81/22/1350868122.db2.gz WFJZJLJRAUWMAI-RKDXNWHRSA-N -2 0 349.430 2.004 20 0 EEADRL CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1cc(C)sc1C(=O)[O-] ZINC001605193067 1351100277 /nfs/dbraw/zinc/10/02/77/1351100277.db2.gz GXUNECOUZQPTLE-SNVBAGLBSA-N -2 0 349.430 2.228 20 0 EEADRL CN(Cc1ccc(C(=O)[O-])cn1)Cc1nc(=O)c2sccc2[n-]1 ZINC001606155348 1351279255 /nfs/dbraw/zinc/27/92/55/1351279255.db2.gz JGZYAKLKPZLZCW-UHFFFAOYSA-N -2 0 330.369 2.122 20 0 EEADRL COc1c(C)ccc([N-]S(=O)(=O)c2occc2C(=O)[O-])c1C ZINC001607013892 1351396998 /nfs/dbraw/zinc/39/69/98/1351396998.db2.gz MWUPPHXINYSOKX-UHFFFAOYSA-N -2 0 325.342 2.404 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)ccc1Cl ZINC001607180902 1351444276 /nfs/dbraw/zinc/44/42/76/1351444276.db2.gz HAGWNMKBFXJYAV-UHFFFAOYSA-N -2 0 331.733 2.441 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cc(C3CC3)n(C)n2)c1C(=O)[O-] ZINC001608043504 1351612339 /nfs/dbraw/zinc/61/23/39/1351612339.db2.gz STCKQJJCMIJPJF-UHFFFAOYSA-N -2 0 339.373 2.006 20 0 EEADRL Cn1nccc1S(=O)(=O)[N-]c1c(C(=O)[O-])ccc2ccccc21 ZINC001608166599 1351638784 /nfs/dbraw/zinc/63/87/84/1351638784.db2.gz UPTQEZUONHFXEJ-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL CCCCNC(=O)N[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000064375667 773572208 /nfs/dbraw/zinc/57/22/08/773572208.db2.gz LLCHLAYIIXGEGG-UHFFFAOYSA-N -2 0 346.261 2.348 20 0 EEADRL CSC[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000906006177 783637192 /nfs/dbraw/zinc/63/71/92/783637192.db2.gz YBWNDKLJJOFLCQ-QMMMGPOBSA-N -2 0 344.241 2.088 20 0 EEADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N(C2CCC2)C2CCC2)c1 ZINC000906999070 784310482 /nfs/dbraw/zinc/31/04/82/784310482.db2.gz ROLNINKSAHWYQR-UHFFFAOYSA-N -2 0 325.386 2.186 20 0 EEADRL CN(C)c1ccc(Br)cc1NCCOP(=O)([O-])[O-] ZINC001168595862 791048928 /nfs/dbraw/zinc/04/89/28/791048928.db2.gz OZVBSVCIEDEOKZ-UHFFFAOYSA-N -2 0 339.126 2.036 20 0 EEADRL O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000908982695 785913151 /nfs/dbraw/zinc/91/31/51/785913151.db2.gz ITFASVIQJZNZNQ-LLVKDONJSA-N -2 0 327.764 2.142 20 0 EEADRL CCc1sc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1C ZINC000910187085 786519536 /nfs/dbraw/zinc/51/95/36/786519536.db2.gz YUWYHXYRZMRVDH-UWVGGRQHSA-N -2 0 325.386 2.009 20 0 EEADRL C[C@H](CC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000910188600 786521529 /nfs/dbraw/zinc/52/15/29/786521529.db2.gz MUMNLPMTIBWXRM-OSMZGAPFSA-N -2 0 337.347 2.096 20 0 EEADRL Cc1nc2c(cccc2NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])o1 ZINC001148926904 792814475 /nfs/dbraw/zinc/81/44/75/792814475.db2.gz UUCOWXZQLLGTEJ-UHFFFAOYSA-N -2 0 348.336 2.341 20 0 EEADRL Cc1ccc(Nc2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])cc1 ZINC001173802479 797640693 /nfs/dbraw/zinc/64/06/93/797640693.db2.gz WVTZAVMHKJBJKI-UHFFFAOYSA-N -2 0 343.382 2.232 20 0 EEADRL CCOC(=O)c1ncccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176240428 798390985 /nfs/dbraw/zinc/39/09/85/798390985.db2.gz XEAULMFKMRAYKH-UHFFFAOYSA-N -2 0 330.296 2.398 20 0 EEADRL CC(=O)c1cccnc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184660002 802121978 /nfs/dbraw/zinc/12/19/78/802121978.db2.gz QKACTOIDNRNIQK-UHFFFAOYSA-N -2 0 334.353 2.092 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2O)cc1C(=O)[O-] ZINC001184697450 802133376 /nfs/dbraw/zinc/13/33/76/802133376.db2.gz SJQCKGWVABJFMV-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2)ccc1C(=O)[O-] ZINC000788489966 807548478 /nfs/dbraw/zinc/54/84/78/807548478.db2.gz SJIAMTZXZNXNBW-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL O=C([O-])C1(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)CCCCC1 ZINC001594871215 954358985 /nfs/dbraw/zinc/35/89/85/954358985.db2.gz VXAKFHYGNUPEGI-UHFFFAOYSA-N -2 0 330.344 2.151 20 0 EEADRL CC(C)[C@H](CNC(=O)c1cccc(Br)c1[O-])C(=O)[O-] ZINC001602984152 972008609 /nfs/dbraw/zinc/00/86/09/972008609.db2.gz STGYBFICLSAYDY-VIFPVBQESA-N -2 0 330.178 2.241 20 0 EEADRL C[C@@]1(C(=O)[O-])CCN(C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1 ZINC001589196469 956613704 /nfs/dbraw/zinc/61/37/04/956613704.db2.gz NCDYYJKTPURFMJ-MRXNPFEDSA-N -2 0 349.774 2.168 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cnn(C)c2C2CC2)ccc1C(=O)[O-] ZINC000795353034 978831878 /nfs/dbraw/zinc/83/18/78/978831878.db2.gz VFNQIUXZWZLMLI-UHFFFAOYSA-N -2 0 335.385 2.105 20 0 EEADRL CC[C@](NC(=O)c1ccc2oc(=O)nc-2[n-]1)(C(=O)[O-])c1ccccc1 ZINC001595270725 980286832 /nfs/dbraw/zinc/28/68/32/980286832.db2.gz OLHLTIFELJRTAP-QGZVFWFLSA-N -2 0 341.323 2.048 20 0 EEADRL CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000901574860 980389031 /nfs/dbraw/zinc/38/90/31/980389031.db2.gz JETGBFHSSBJEFR-LLVKDONJSA-N -2 0 325.405 2.227 20 0 EEADRL CC[C@@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001595434992 981061630 /nfs/dbraw/zinc/06/16/30/981061630.db2.gz DMJRULARJRIILD-BDAKNGLRSA-N -2 0 331.415 2.078 20 0 EEADRL CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001595632475 981855387 /nfs/dbraw/zinc/85/53/87/981855387.db2.gz ZFHUWONDWUYFEK-SNVBAGLBSA-N -2 0 331.390 2.308 20 0 EEADRL CC[C@H](C)CO[N-]C(=O)C(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC001594964460 982718082 /nfs/dbraw/zinc/71/80/82/982718082.db2.gz IPAMOBYTHXVLPB-QMMMGPOBSA-N -2 0 328.752 2.071 20 0 EEADRL C[C@@H](C(=O)N(CCC(=O)[O-])CC(=O)[O-])c1ccc2ccccc2c1 ZINC001589342118 986263885 /nfs/dbraw/zinc/26/38/85/986263885.db2.gz UROOQZXTOZHWKJ-GFCCVEGCSA-N -2 0 329.352 2.331 20 0 EEADRL CC(C)[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])CC1 ZINC001589450681 986840860 /nfs/dbraw/zinc/84/08/60/986840860.db2.gz FDLAZQGCZLEEQI-RNJOBUHISA-N -2 0 333.450 2.004 20 0 EEADRL C[C@@H](C(=O)[O-])c1cccc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)c1 ZINC001589540255 987241516 /nfs/dbraw/zinc/24/15/16/987241516.db2.gz SUNVKRFIMWDUNA-LLVKDONJSA-N -2 0 349.412 2.208 20 0 EEADRL C[C@H](C(=O)[O-])c1cccc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)c1 ZINC001589540257 987241734 /nfs/dbraw/zinc/24/17/34/987241734.db2.gz SUNVKRFIMWDUNA-NSHDSACASA-N -2 0 349.412 2.208 20 0 EEADRL CC(C)(C(=O)[O-])[C@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001589595564 987415362 /nfs/dbraw/zinc/41/53/62/987415362.db2.gz XOAJBVNZNZHTMB-UONOGXRCSA-N -2 0 348.399 2.345 20 0 EEADRL CC(C)(C)CC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001589740905 988012781 /nfs/dbraw/zinc/01/27/81/988012781.db2.gz PXRAMHQDARDMBJ-UHFFFAOYSA-N -2 0 333.793 2.279 20 0 EEADRL CCc1ncsc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC001597712093 988974602 /nfs/dbraw/zinc/97/46/02/988974602.db2.gz KTZVPXYYJDFNGB-UHFFFAOYSA-N -2 0 342.398 2.213 20 0 EEADRL CC(C)(CS(=O)(=O)[N-]c1cc(F)ccc1OC(F)F)C(=O)[O-] ZINC001590820335 990654983 /nfs/dbraw/zinc/65/49/83/990654983.db2.gz SJFZCGRTFXCAEU-UHFFFAOYSA-N -2 0 341.307 2.280 20 0 EEADRL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001593714068 996227440 /nfs/dbraw/zinc/22/74/40/996227440.db2.gz RXAGIUDGJUVCSO-MRVWCRGKSA-N -2 0 339.413 2.085 20 0 EEADRL COCc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cs1 ZINC001599296155 997146694 /nfs/dbraw/zinc/14/66/94/997146694.db2.gz AKPBLWHSFSBUMM-UHFFFAOYSA-N -2 0 327.383 2.394 20 0 EEADRL COc1cc(S(=O)(=O)[N-]c2cc(C3CC3)ccn2)ccc1C(=O)[O-] ZINC001599459968 998254845 /nfs/dbraw/zinc/25/48/45/998254845.db2.gz RCNDAQWZSLEDLX-UHFFFAOYSA-N -2 0 348.380 2.467 20 0 EEADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])s1 ZINC001598990960 998736718 /nfs/dbraw/zinc/73/67/18/998736718.db2.gz XLMCJJAEETUOKV-UHFFFAOYSA-N -2 0 347.395 2.095 20 0 EEADRL CC(C)(CC[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(=O)[O-] ZINC000424390681 535040394 /nfs/dbraw/zinc/04/03/94/535040394.db2.gz KPBSGNCQVJKPJO-UHFFFAOYSA-N -2 0 343.298 2.022 20 0 EEADRL CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)cc1 ZINC000097379573 219020235 /nfs/dbraw/zinc/02/02/35/219020235.db2.gz PBXCFDPMBBDDSX-UHFFFAOYSA-N -2 0 335.337 2.094 20 0 EEADRL COCCOCCS(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1[O-] ZINC000273480556 256300429 /nfs/dbraw/zinc/30/04/29/256300429.db2.gz SPCLFPQAJFVVSG-UHFFFAOYSA-N -2 0 344.216 2.104 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)c(O)c1 ZINC000343835885 161172696 /nfs/dbraw/zinc/17/26/96/161172696.db2.gz NGLJARCGBXRJCE-UHFFFAOYSA-N -2 0 344.348 2.439 20 0 EEADRL Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000346414865 161370373 /nfs/dbraw/zinc/37/03/73/161370373.db2.gz WRKBLUKSPQJVPG-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(C3CC3)n(C)n2)c1C ZINC000290453270 275208772 /nfs/dbraw/zinc/20/87/72/275208772.db2.gz DKKPLOFJIJFPLN-UHFFFAOYSA-N -2 0 349.412 2.413 20 0 EEADRL Cc1cc(O)ccc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000439255901 315071692 /nfs/dbraw/zinc/07/16/92/315071692.db2.gz GGENJXUWUNIIBW-UHFFFAOYSA-N -2 0 326.312 2.011 20 0 EEADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000547910479 318333537 /nfs/dbraw/zinc/33/35/37/318333537.db2.gz MXTGFDZMIIOXMF-HZGVNTEJSA-N -2 0 345.726 2.336 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])nc1C ZINC000547917511 318333852 /nfs/dbraw/zinc/33/38/52/318333852.db2.gz KULSTOADXSKGJA-UHFFFAOYSA-N -2 0 341.364 2.158 20 0 EEADRL O=C([O-])[C@@H](CC(F)F)[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000566312669 319273916 /nfs/dbraw/zinc/27/39/16/319273916.db2.gz PNLXGKIXVSTMJX-ZCFIWIBFSA-N -2 0 349.689 2.005 20 0 EEADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000336854604 465053074 /nfs/dbraw/zinc/05/30/74/465053074.db2.gz PTQVETLFNSNEEC-UHFFFAOYSA-N -2 0 327.308 2.393 20 0 EEADRL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000336868824 465060597 /nfs/dbraw/zinc/06/05/97/465060597.db2.gz ZWEQPSSFEQJGDI-UHFFFAOYSA-N -2 0 335.381 2.432 20 0 EEADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1cccs1 ZINC000339414052 465253405 /nfs/dbraw/zinc/25/34/05/465253405.db2.gz SIQWKKMNXLLWOA-UHFFFAOYSA-N -2 0 331.346 2.395 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)cc1 ZINC000045712971 462609625 /nfs/dbraw/zinc/60/96/25/462609625.db2.gz IKXOEGAEIHFUIG-UHFFFAOYSA-N -2 0 343.364 2.371 20 0 EEADRL COc1cc(C=NNc2ccccc2C(=O)[O-])cc([N+](=O)[O-])c1[O-] ZINC000252477223 464959383 /nfs/dbraw/zinc/95/93/83/464959383.db2.gz KIQAMSFVCWTVTA-UHFFFAOYSA-N -2 0 331.284 2.453 20 0 EEADRL Cc1ccc(O)c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC000362433865 465733839 /nfs/dbraw/zinc/73/38/39/465733839.db2.gz ISZWUXAAIGOHNF-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000320750239 466613950 /nfs/dbraw/zinc/61/39/50/466613950.db2.gz IBHQOIFWKCTJEK-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2F)cs1 ZINC000427333848 467151743 /nfs/dbraw/zinc/15/17/43/467151743.db2.gz CUVVOEPRQXTXAW-UHFFFAOYSA-N -2 0 345.329 2.084 20 0 EEADRL CCOc1cc(C[NH2+][C@@H](C(=O)[O-])c2ccnn2C)cc(Cl)c1O ZINC000647467674 470909388 /nfs/dbraw/zinc/90/93/88/470909388.db2.gz PPWBNIAAVCUENC-CYBMUJFWSA-N -2 0 339.779 2.093 20 0 EEADRL CC(C)C[C@H](CNC(=O)N1CCC(CCC(=O)[O-])CC1)C(=O)[O-] ZINC000659409471 471611181 /nfs/dbraw/zinc/61/11/81/471611181.db2.gz OTXZQVWWJUCXLS-CYBMUJFWSA-N -2 0 328.409 2.020 20 0 EEADRL CC(C)(C)CC[C@@H](NC(=O)c1cccc(OCC(=O)[O-])c1)C(=O)[O-] ZINC000659763848 471734560 /nfs/dbraw/zinc/73/45/60/471734560.db2.gz JJXAEBINBZGFNT-CYBMUJFWSA-N -2 0 337.372 2.159 20 0 EEADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC000663038672 472335860 /nfs/dbraw/zinc/33/58/60/472335860.db2.gz QHUWEOXEELLUHA-LBPRGKRZSA-N -2 0 349.412 2.246 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cccc3cccnc32)c(C(=O)[O-])[nH]1 ZINC000738463463 578016161 /nfs/dbraw/zinc/01/61/61/578016161.db2.gz FQBXIAKEPOYTHH-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)c1C ZINC000776426407 577459658 /nfs/dbraw/zinc/45/96/58/577459658.db2.gz JYKYZCUOVVVOLO-UHFFFAOYSA-N -2 0 337.401 2.153 20 0 EEADRL Cc1cccc([C@H](CC(=O)[O-])[N-]S(=O)(=O)[C@H](C)C(F)(F)F)c1 ZINC000776472064 577460437 /nfs/dbraw/zinc/46/04/37/577460437.db2.gz BEGIWYCMAHABTN-KOLCDFICSA-N -2 0 339.335 2.381 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c(O)c1 ZINC000770634238 577600410 /nfs/dbraw/zinc/60/04/10/577600410.db2.gz KLDSFOCRGJRXKV-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736162857 578183829 /nfs/dbraw/zinc/18/38/29/578183829.db2.gz WIYHNHFEFZWPKG-UHFFFAOYSA-N -2 0 338.341 2.045 20 0 EEADRL CC(C)n1cc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)cn1 ZINC000736532743 578209778 /nfs/dbraw/zinc/20/97/78/578209778.db2.gz MOWBWIRFZPMWKD-UHFFFAOYSA-N -2 0 338.389 2.032 20 0 EEADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)[C@@H](C)C(=O)[O-])n2)c1 ZINC000817986011 596935067 /nfs/dbraw/zinc/93/50/67/596935067.db2.gz OHLJRFLTLCGCBT-NSHDSACASA-N -2 0 331.372 2.246 20 0 EEADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000391324924 600514796 /nfs/dbraw/zinc/51/47/96/600514796.db2.gz QTYUHZDHFPWHAF-UHFFFAOYSA-N -2 0 332.381 2.459 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2nc(C)c(C)s2)cc1C(=O)[O-] ZINC000315293500 600659074 /nfs/dbraw/zinc/65/90/74/600659074.db2.gz HUWZPFQSJXWCBP-UHFFFAOYSA-N -2 0 342.398 2.268 20 0 EEADRL O=C([O-])c1sccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000833323929 600673124 /nfs/dbraw/zinc/67/31/24/600673124.db2.gz CTSAMUCXZNMBRW-UHFFFAOYSA-N -3 0 345.329 2.084 20 0 EEADRL CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1c([O-])cc(F)cc1F ZINC000830000858 600723105 /nfs/dbraw/zinc/72/31/05/600723105.db2.gz NPYPDPDTJICRDU-JTQLQIEISA-N -2 0 345.342 2.260 20 0 EEADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)c1 ZINC000832362234 600983155 /nfs/dbraw/zinc/98/31/55/600983155.db2.gz BELUMKVUKRYEPQ-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL Cc1nc(C)c(S(=O)(=O)[N-]c2nc(C)c(C(=O)[O-])s2)s1 ZINC000832995682 601364989 /nfs/dbraw/zinc/36/49/89/601364989.db2.gz GXMIENITVFJVFZ-UHFFFAOYSA-N -2 0 333.416 2.024 20 0 EEADRL Cc1nc(C)c([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])s1 ZINC000832995550 601486130 /nfs/dbraw/zinc/48/61/30/601486130.db2.gz CVCRPFHRXDCPJE-UHFFFAOYSA-N -2 0 347.805 2.307 20 0 EEADRL CC(C)Cc1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)s1 ZINC000230288883 601501947 /nfs/dbraw/zinc/50/19/47/601501947.db2.gz UCLNHAMLUBOHET-UHFFFAOYSA-N -2 0 347.443 2.297 20 0 EEADRL Cc1nc2cc([N-]S(=O)(=O)c3csnc3C(=O)[O-])ccc2o1 ZINC000833003943 601768082 /nfs/dbraw/zinc/76/80/82/601768082.db2.gz CWMQACFACBFOOY-UHFFFAOYSA-N -2 0 339.354 2.092 20 0 EEADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cnc2ccccc2n1 ZINC000833294715 601848216 /nfs/dbraw/zinc/84/82/16/601848216.db2.gz UJPBEDIYVQIXQE-UHFFFAOYSA-N -2 0 347.327 2.268 20 0 EEADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)nc2)c1 ZINC000165784666 602156567 /nfs/dbraw/zinc/15/65/67/602156567.db2.gz UDSBNNHLAQWRTE-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nc2)cc1F ZINC000833744344 605167819 /nfs/dbraw/zinc/16/78/19/605167819.db2.gz BHGFNUCYJNAGDR-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL CC(C)(C)[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)c1nc(=O)o[n-]1 ZINC001412269126 1205681651 /nfs/dbraw/zinc/68/16/51/1205681651.db2.gz PKIPINHPOMTAKT-JTQLQIEISA-N -2 0 325.752 2.239 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2nn(C)cc2c1 ZINC001185904689 1278839451 /nfs/dbraw/zinc/83/94/51/1278839451.db2.gz JTCVNRDYIZHORL-UHFFFAOYSA-N -2 0 345.380 2.381 20 0 EEADRL CCOc1cccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185876558 1278844356 /nfs/dbraw/zinc/84/43/56/1278844356.db2.gz UVROUDNDRYGGPX-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2ncn(C)c21 ZINC001185913660 1278865053 /nfs/dbraw/zinc/86/50/53/1278865053.db2.gz AFJRJOBLKZTBNR-UHFFFAOYSA-N -2 0 345.380 2.381 20 0 EEADRL CCCc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)on1 ZINC001186143072 1278967320 /nfs/dbraw/zinc/96/73/20/1278967320.db2.gz IEEBOUJIEKBDFU-UHFFFAOYSA-N -2 0 328.321 2.265 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccncn2)c(Cl)cc1Cl ZINC001192401928 1281973592 /nfs/dbraw/zinc/97/35/92/1281973592.db2.gz VYGUJVGRVCHWLN-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL Nc1[nH]c(=S)[nH]c(=O)c1Nc1ccc(Cl)c(C(=O)[O-])c1F ZINC001215696292 1296972957 /nfs/dbraw/zinc/97/29/57/1296972957.db2.gz PQAXHFSHLLUYFG-UHFFFAOYSA-N -2 0 330.728 2.287 20 0 EEADRL COc1ccc([C@@H](Oc2nc(=O)[n-]c(=O)[nH]2)c2ccccc2)cc1 ZINC001227569956 1301892645 /nfs/dbraw/zinc/89/26/45/1301892645.db2.gz HKNUEYBKDBSWEG-AWEZNQCLSA-N -2 0 325.324 2.460 20 0 EEADRL CCOC(=O)c1c(C)c(C)nnc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242160277 1309622845 /nfs/dbraw/zinc/62/28/45/1309622845.db2.gz JIZGWUGVPOFBQC-UHFFFAOYSA-N -2 0 344.323 2.334 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(=O)n(-c3ccncc3)c2)c1 ZINC001242163631 1309624911 /nfs/dbraw/zinc/62/49/11/1309624911.db2.gz DBAVVVDUBLDOQI-UHFFFAOYSA-N -2 0 336.303 2.296 20 0 EEADRL CCOC(=O)COc1ccc(-c2ccc(P(=O)([O-])[O-])cc2)cc1 ZINC001243137262 1309770364 /nfs/dbraw/zinc/77/03/64/1309770364.db2.gz UMVAXDDAIKJZAZ-UHFFFAOYSA-N -2 0 336.280 2.099 20 0 EEADRL Cc1cc(C)c([N-]S(=O)(=O)c2cccs2)c(S(=O)(=O)[O-])c1 ZINC001250922849 1317371462 /nfs/dbraw/zinc/37/14/62/1317371462.db2.gz HFNJLZJEMUQEGJ-UHFFFAOYSA-N -2 0 347.439 2.412 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cncc(OC(F)F)c2)c1 ZINC001260184258 1319818256 /nfs/dbraw/zinc/81/82/56/1319818256.db2.gz DUFXHCVBCWHRRU-UHFFFAOYSA-N -2 0 344.295 2.182 20 0 EEADRL O=C([O-])c1ncsc1S(=O)(=O)NCC1(C2CCC2)CCC1 ZINC001602583068 1350551057 /nfs/dbraw/zinc/55/10/57/1350551057.db2.gz MNKPIFAJSVFYFI-UHFFFAOYSA-N -2 0 330.431 2.090 20 0 EEADRL O=C([O-])C1(S(=O)(=O)[N-][C@H](C2CCCCC2)C(F)(F)F)CCC1 ZINC001608579483 1351719795 /nfs/dbraw/zinc/71/97/95/1351719795.db2.gz JZWFSLLSJVOERM-SNVBAGLBSA-N -2 0 343.367 2.424 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)o1 ZINC001608913478 1351792439 /nfs/dbraw/zinc/79/24/39/1351792439.db2.gz SOGBZTIVQNMOEO-UHFFFAOYSA-N -2 0 335.696 2.277 20 0 EEADRL O=C([O-])c1cccc(CS(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)c1 ZINC001608932515 1351797751 /nfs/dbraw/zinc/79/77/51/1351797751.db2.gz NIPHQNMTLALQQP-LLVKDONJSA-N -2 0 337.319 2.145 20 0 EEADRL C[C@](NC(=O)c1s[n-]c(=O)c1Cl)(C(=O)[O-])c1ccc(F)cc1 ZINC001609773148 1352081742 /nfs/dbraw/zinc/08/17/42/1352081742.db2.gz GFQPMDYKGJOUJX-CYBMUJFWSA-N -2 0 344.751 2.371 20 0 EEADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001609842030 1352098668 /nfs/dbraw/zinc/09/86/68/1352098668.db2.gz ZUBIHTPEZVCOGH-HTQZYQBOSA-N -2 0 342.298 2.238 20 0 EEADRL CCC[C@](C)(NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(=O)[O-] ZINC001609953376 1352128875 /nfs/dbraw/zinc/12/88/75/1352128875.db2.gz WJVMQWRSEOEDBC-INIZCTEOSA-N -2 0 335.335 2.090 20 0 EEADRL CCOC(=O)c1cnc(/C=C/c2ccc(C(=O)[O-])[nH]2)c(C(=O)[O-])c1 ZINC001610023992 1352143828 /nfs/dbraw/zinc/14/38/28/1352143828.db2.gz MWXJSXIVLCEPOJ-HWKANZROSA-N -2 0 330.296 2.153 20 0 EEADRL Cc1cc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c(C)s1 ZINC001610437172 1352222198 /nfs/dbraw/zinc/22/21/98/1352222198.db2.gz UWQGQEXUKHFMKW-UHFFFAOYSA-N -2 0 343.382 2.083 20 0 EEADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cncc(F)c1 ZINC001610465662 1352227169 /nfs/dbraw/zinc/22/71/69/1352227169.db2.gz QPORZPQQVOYFBU-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL O=C([O-])c1cnc(S(=O)(=O)CCCc2ccc(Cl)cc2)[n-]1 ZINC001610807899 1352278165 /nfs/dbraw/zinc/27/81/65/1352278165.db2.gz KXJMCMVCMVLBQE-UHFFFAOYSA-N -2 0 328.777 2.168 20 0 EEADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1 ZINC001610854453 1352286035 /nfs/dbraw/zinc/28/60/35/1352286035.db2.gz GEZPXOHLZMKAJL-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL Cc1cc(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)sc1C ZINC001600096669 1349970224 /nfs/dbraw/zinc/97/02/24/1349970224.db2.gz XOBPQSUKMITDFZ-UHFFFAOYSA-N -2 0 339.394 2.182 20 0 EEADRL Cc1cc(NC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)c(C(=O)[O-])[nH]1 ZINC001600267899 1350006676 /nfs/dbraw/zinc/00/66/76/1350006676.db2.gz NLZXPNQBXCODKR-QGZVFWFLSA-N -2 0 345.355 2.185 20 0 EEADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)N[C@@H](CC(=O)[O-])C3CC3)n2)c1 ZINC001600427595 1350048497 /nfs/dbraw/zinc/04/84/97/1350048497.db2.gz YNAMKGVPUWTVKF-LBPRGKRZSA-N -2 0 347.346 2.009 20 0 EEADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(O)ccc2C(=O)[O-])c1 ZINC001600430426 1350049774 /nfs/dbraw/zinc/04/97/74/1350049774.db2.gz LENLCDKSEDGKIP-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)c(C(=O)[O-])c1 ZINC001600483795 1350062675 /nfs/dbraw/zinc/06/26/75/1350062675.db2.gz UFYLJCCBQOPNKL-UHFFFAOYSA-N -2 0 331.300 2.086 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2ccn(C(C)(C)C(=O)[O-])n2)cc1C ZINC001600483785 1350062778 /nfs/dbraw/zinc/06/27/78/1350062778.db2.gz SEDQNXWGPXFVDV-UHFFFAOYSA-N -2 0 337.401 2.120 20 0 EEADRL O=C([O-])c1cc(NC(=O)c2c[n-]ncc2=O)ccc1N1CCCCC1 ZINC001601606484 1350318297 /nfs/dbraw/zinc/31/82/97/1350318297.db2.gz ILNKUXIICFEBKL-UHFFFAOYSA-N -2 0 342.355 2.123 20 0 EEADRL O=C([O-])CC[C@H]1CCCN(C(=O)CSc2n[n-]c(=S)s2)C1 ZINC001601975689 1350408770 /nfs/dbraw/zinc/40/87/70/1350408770.db2.gz ROAJEFQNKXXVJI-MRVPVSSYSA-N -2 0 347.487 2.022 20 0 EEADRL O=C([O-])CCCNC(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC001601991746 1350412831 /nfs/dbraw/zinc/41/28/31/1350412831.db2.gz UCVXIBBVBODCKO-UHFFFAOYSA-N -2 0 345.149 2.134 20 0 EEADRL O=C([O-])CCN(CC(=O)[O-])C(=O)c1ccccc1CCC(F)(F)F ZINC001602005205 1350416487 /nfs/dbraw/zinc/41/64/87/1350416487.db2.gz WTABESWDJHBGPV-UHFFFAOYSA-N -2 0 347.289 2.183 20 0 EEADRL O=C([O-])CCc1cccc([N-]S(=O)(=O)c2cccc3c2OCC3)c1 ZINC001602044107 1350425201 /nfs/dbraw/zinc/42/52/01/1350425201.db2.gz LBRVQYKMBGTQKN-UHFFFAOYSA-N -2 0 347.392 2.440 20 0 EEADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccnn2CC2CCC2)c1 ZINC001602140967 1350449226 /nfs/dbraw/zinc/44/92/26/1350449226.db2.gz XQGFAZWLGSJQFG-UHFFFAOYSA-N -2 0 349.412 2.111 20 0 EEADRL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2n[nH]c3cccc(F)c32)c1 ZINC001602142489 1350449605 /nfs/dbraw/zinc/44/96/05/1350449605.db2.gz FJCVJWDICFELKH-UHFFFAOYSA-N -2 0 349.343 2.130 20 0 EEADRL O=C([O-])c1ccc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)cc1 ZINC001602320548 1350493556 /nfs/dbraw/zinc/49/35/56/1350493556.db2.gz DNHJDUYXNGTKND-MNOVXSKESA-N -2 0 345.273 2.110 20 0 EEADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cnoc1C1CC1 ZINC001602369766 1350505692 /nfs/dbraw/zinc/50/56/92/1350505692.db2.gz OVIFCJBGUCJKCB-UHFFFAOYSA-N -2 0 326.305 2.190 20 0 EEADRL C[C@H](CCC[C@H](C)C(=O)[O-])NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC001604132518 1350868342 /nfs/dbraw/zinc/86/83/42/1350868342.db2.gz PRPGVYVNUFXFJX-DTWKUNHWSA-N -2 0 349.430 2.004 20 0 EEADRL C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C[C@H]1C ZINC001604692353 1350986259 /nfs/dbraw/zinc/98/62/59/1350986259.db2.gz JCCJBDSHZAGBII-BBBLOLIVSA-N -2 0 345.442 2.324 20 0 EEADRL CCc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1OC ZINC001605821304 1351228395 /nfs/dbraw/zinc/22/83/95/1351228395.db2.gz BVYSAMBYMLGDHT-UHFFFAOYSA-N -2 0 342.398 2.213 20 0 EEADRL Cc1oc(C(=O)[O-])cc1C(=O)[N-]S(=O)(=O)c1ccc(C)cc1C ZINC001607820049 1351564823 /nfs/dbraw/zinc/56/48/23/1351564823.db2.gz ZKXLNXBBCHMPAQ-UHFFFAOYSA-N -2 0 337.353 2.022 20 0 EEADRL Cc1cccc(C[C@H](CNC(=O)[C@H](C(=O)[O-])C2CCCC2)C(=O)[O-])c1 ZINC001607847063 1351570437 /nfs/dbraw/zinc/57/04/37/1351570437.db2.gz OZVZMQNDUFOYMQ-HZPDHXFCSA-N -2 0 347.411 2.246 20 0 EEADRL O=C([O-])c1cnc(CCNC(=O)c2ccc3oc(=S)[n-]c3c2)s1 ZINC001608455821 1351698686 /nfs/dbraw/zinc/69/86/86/1351698686.db2.gz LNIDBCCSVKKFER-UHFFFAOYSA-N -2 0 349.393 2.244 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cccc(C3CCC3)c2)C1 ZINC000910183169 786515373 /nfs/dbraw/zinc/51/53/73/786515373.db2.gz LMFOWGJNAZJWPI-GJZGRUSLSA-N -2 0 331.368 2.344 20 0 EEADRL COc1ncccc1[N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000325645404 971232895 /nfs/dbraw/zinc/23/28/95/971232895.db2.gz XKZAWYNUVYUPLP-UHFFFAOYSA-N -2 0 348.380 2.007 20 0 EEADRL O=C([O-])CC[C@H]1C[C@@H](C(=O)Nc2cc(Cl)c([O-])cc2F)CO1 ZINC001595003545 951166805 /nfs/dbraw/zinc/16/68/05/951166805.db2.gz DXYURAOQIKWTSR-SFYZADRCSA-N -2 0 331.727 2.393 20 0 EEADRL CCC(=O)c1ccc([O-])c(NC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)c1 ZINC001589426639 954630032 /nfs/dbraw/zinc/63/00/32/954630032.db2.gz QIJYWQDGSHLNBR-NEPJUHHUSA-N -2 0 335.356 2.193 20 0 EEADRL C[C@@](NC(=O)c1s[n-]c(=O)c1Cl)(C(=O)[O-])c1ccccc1 ZINC001603244071 972402067 /nfs/dbraw/zinc/40/20/67/972402067.db2.gz ZXCCIGPUTBFXNT-ZDUSSCGKSA-N -2 0 326.761 2.232 20 0 EEADRL CCOC(=O)c1[n-]c(NC(=O)[C@H](C(=O)[O-])C2CCCC2)nc1Cl ZINC001573901292 961427205 /nfs/dbraw/zinc/42/72/05/961427205.db2.gz QTYNMLIDTOXKJX-MRVPVSSYSA-N -2 0 343.767 2.069 20 0 EEADRL O=C([O-])c1ncoc1CNC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001571190650 962243882 /nfs/dbraw/zinc/24/38/82/962243882.db2.gz ACOGQXIHWRIGSX-UHFFFAOYSA-N -2 0 331.111 2.315 20 0 EEADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cn1 ZINC000316196586 963989321 /nfs/dbraw/zinc/98/93/21/963989321.db2.gz OWIKBUVZAJCZSC-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)c1C(=O)[O-] ZINC000319846206 970580356 /nfs/dbraw/zinc/58/03/56/970580356.db2.gz PKXAIBYOWSWZDS-UHFFFAOYSA-N -2 0 340.313 2.304 20 0 EEADRL CC(C)([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)C(F)(F)F ZINC000393863355 972652594 /nfs/dbraw/zinc/65/25/94/972652594.db2.gz CKMHZDYEPQUZOF-UHFFFAOYSA-N -2 0 329.271 2.143 20 0 EEADRL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ncccc1C(=O)[O-] ZINC001604799388 974036074 /nfs/dbraw/zinc/03/60/74/974036074.db2.gz OVKKYMTVEDVTLV-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL CC(C)n1cnc(S(=O)(=O)[N-]c2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c1 ZINC001592145744 977005470 /nfs/dbraw/zinc/00/54/70/977005470.db2.gz UDNIQANWNWPCBE-UONOGXRCSA-N -2 0 349.412 2.453 20 0 EEADRL C[C@@H](CNC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1)C(=O)[O-] ZINC001592660106 978643531 /nfs/dbraw/zinc/64/35/31/978643531.db2.gz MDHQACNDUBEJHE-LBPRGKRZSA-N -2 0 348.399 2.070 20 0 EEADRL CCCCC[C@H](C)NC(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001595666344 982099539 /nfs/dbraw/zinc/09/95/39/982099539.db2.gz IQWDEEQVLQFGOG-BBYOUEMTSA-N -2 0 340.420 2.162 20 0 EEADRL C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC001599908484 984954195 /nfs/dbraw/zinc/95/41/95/984954195.db2.gz ABMKTJFXMZMGIQ-XYPYZODXSA-N -2 0 325.386 2.016 20 0 EEADRL CCO[C@@H]1C[C@@](NC(=O)c2cc(F)cc(F)c2[O-])(C(=O)[O-])C1(C)C ZINC001596828536 985448356 /nfs/dbraw/zinc/44/83/56/985448356.db2.gz OSDGYVPBEDMPKK-BDJLRTHQSA-N -2 0 343.326 2.059 20 0 EEADRL CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001589283790 986014822 /nfs/dbraw/zinc/01/48/22/986014822.db2.gz JHTGPSYENQTGIZ-UHFFFAOYSA-N -2 0 341.316 2.429 20 0 EEADRL CC(C)(C)c1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)nn1 ZINC001590493493 990095523 /nfs/dbraw/zinc/09/55/23/990095523.db2.gz MJVHPUIGCWEYGF-UHFFFAOYSA-N -2 0 349.412 2.202 20 0 EEADRL CC(C)C[C@H](CNC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)C(=O)[O-] ZINC001591149212 991888563 /nfs/dbraw/zinc/88/85/63/991888563.db2.gz KCHRDMYEAFKIHI-HIFRSBDPSA-N -2 0 348.399 2.127 20 0 EEADRL CC(C)C[C@@H](CNC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1)C(=O)[O-] ZINC001591150934 991895847 /nfs/dbraw/zinc/89/58/47/991895847.db2.gz VCRRLTQJSQWNQE-VIFPVBQESA-N -2 0 348.359 2.130 20 0 EEADRL CO[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])[C@H](C(=O)[O-])C1 ZINC001599120680 997732341 /nfs/dbraw/zinc/73/23/41/997732341.db2.gz PUAAGPHOVCYVSO-KWQFWETISA-N -2 0 348.182 2.403 20 0 EEADRL COC(=O)c1ccc(NC(=O)CC2(C(=O)[O-])CCCC2)cc1C(=O)[O-] ZINC001598979188 998638784 /nfs/dbraw/zinc/63/87/84/998638784.db2.gz UCVIOLPIKUWBNW-UHFFFAOYSA-N -2 0 349.339 2.145 20 0 EEADRL C[C@@H]1C[C@H](C(=O)[O-])CN(c2cc(C(F)(F)F)c(C(=O)[O-])cn2)C1 ZINC001594209671 998811569 /nfs/dbraw/zinc/81/15/69/998811569.db2.gz GJOCMNZVRQLEGE-SFYZADRCSA-N -2 0 332.278 2.346 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cccc3c2OCCO3)cc1C(=O)[O-] ZINC000055685669 214338455 /nfs/dbraw/zinc/33/84/55/214338455.db2.gz WUIODZPSFKYIOL-UHFFFAOYSA-N -2 0 349.364 2.265 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2cccc(COC)c2)cc1C(=O)[O-] ZINC000270026404 539697758 /nfs/dbraw/zinc/69/77/58/539697758.db2.gz XAHPGQWHNXTYSR-UHFFFAOYSA-N -2 0 338.385 2.153 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnccn2)c(Cl)cc1Cl ZINC000035159991 213011217 /nfs/dbraw/zinc/01/12/17/213011217.db2.gz ANXWGCAQUZIQSV-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL Cc1ccc(-c2[n-][nH]c(=NC(=O)N=c3ccc(C4CC4)n[n-]3)c2C)o1 ZINC000459462208 245132047 /nfs/dbraw/zinc/13/20/47/245132047.db2.gz UPGIJZMUYNHELV-UHFFFAOYSA-N -2 0 338.371 2.442 20 0 EEADRL CC(C)Cc1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cn1 ZINC000355877045 153183278 /nfs/dbraw/zinc/18/32/78/153183278.db2.gz BRGJQDAYKAITBO-UHFFFAOYSA-N -2 0 341.414 2.236 20 0 EEADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1c(C)n[nH]c1C ZINC000358922975 164016555 /nfs/dbraw/zinc/01/65/55/164016555.db2.gz VMSYGIXRAQJQFH-UHFFFAOYSA-N -2 0 341.414 2.247 20 0 EEADRL CC(C)n1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)n1 ZINC000280861311 269395225 /nfs/dbraw/zinc/39/52/25/269395225.db2.gz CDVQJKWISZANSQ-UHFFFAOYSA-N -2 0 349.412 2.452 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2ccn(C(C)C)n2)cc(C(=O)[O-])c1F ZINC000280847419 274604283 /nfs/dbraw/zinc/60/42/83/274604283.db2.gz BGQVRYNJKRUUIY-UHFFFAOYSA-N -2 0 341.364 2.411 20 0 EEADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c1 ZINC000436718706 314992019 /nfs/dbraw/zinc/99/20/19/314992019.db2.gz FZOIYYVSAPXKBI-UHFFFAOYSA-N -2 0 349.364 2.135 20 0 EEADRL CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2c([O-])cccc2F)c1 ZINC000436994672 315021596 /nfs/dbraw/zinc/02/15/96/315021596.db2.gz FAJBSRKXLJRAKT-UHFFFAOYSA-N -2 0 339.344 2.283 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)n1 ZINC000573489218 319939675 /nfs/dbraw/zinc/93/96/75/319939675.db2.gz QHYGUAZKUUKMIW-NSHDSACASA-N -2 0 343.383 2.218 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000341367509 465133508 /nfs/dbraw/zinc/13/35/08/465133508.db2.gz STFCRPKCVPQKDC-UHFFFAOYSA-N -2 0 335.337 2.192 20 0 EEADRL CC[C@H](C)c1ncc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cn1 ZINC000358499249 465160592 /nfs/dbraw/zinc/16/05/92/465160592.db2.gz QQUUSKCKMPYXLI-JTQLQIEISA-N -2 0 335.385 2.489 20 0 EEADRL Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)ccc1C(=O)[O-] ZINC000342974988 465427523 /nfs/dbraw/zinc/42/75/23/465427523.db2.gz ZXJCRLQMKQUNJB-UHFFFAOYSA-N -2 0 335.337 2.192 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c(OC)c1 ZINC000315835062 466565855 /nfs/dbraw/zinc/56/58/55/466565855.db2.gz DIHHBCDJWZSKTI-UHFFFAOYSA-N -2 0 343.382 2.264 20 0 EEADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cccs2)cc2c1OCCO2 ZINC000362201720 466619115 /nfs/dbraw/zinc/61/91/15/466619115.db2.gz VMSIYNQMTKVIEL-UHFFFAOYSA-N -2 0 341.366 2.018 20 0 EEADRL Cc1c(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)cccc1C(=O)[O-] ZINC000324827468 466649727 /nfs/dbraw/zinc/64/97/27/466649727.db2.gz BIQRHKQJUBQIAG-UHFFFAOYSA-N -2 0 349.364 2.121 20 0 EEADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2cccn2C)cc1)C(=O)[O-] ZINC000414161927 467385178 /nfs/dbraw/zinc/38/51/78/467385178.db2.gz GKAXQWBTTUURAZ-CYBMUJFWSA-N -2 0 336.413 2.479 20 0 EEADRL CCC(=O)c1ccc([O-])c(NC(=O)CNC(=O)c2ccc(O)cc2)c1 ZINC000515936607 468008110 /nfs/dbraw/zinc/00/81/10/468008110.db2.gz KTFOKKJBSCOXQK-UHFFFAOYSA-N -2 0 342.351 2.059 20 0 EEADRL C[C@H](CC[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)CC(=O)[O-] ZINC000650412827 470874170 /nfs/dbraw/zinc/87/41/70/470874170.db2.gz HSTVEJRYCURFCS-ZCFIWIBFSA-N -2 0 343.298 2.022 20 0 EEADRL Cn1nccc1S(=O)(=O)[N-]c1cc(C(C)(C)C)ccc1C(=O)[O-] ZINC000656172755 471618649 /nfs/dbraw/zinc/61/86/49/471618649.db2.gz WTNVJHDIUHPNIQ-UHFFFAOYSA-N -2 0 337.401 2.217 20 0 EEADRL CSc1ccncc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000674258344 485674765 /nfs/dbraw/zinc/67/47/65/485674765.db2.gz YGGCXYHFVJKWJG-UHFFFAOYSA-N -2 0 343.368 2.114 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c(C(=O)[O-])[nH]1 ZINC000738463252 576453346 /nfs/dbraw/zinc/45/33/46/576453346.db2.gz HRVWIYVTABSNNU-UHFFFAOYSA-N -2 0 334.275 2.239 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cnn(CC3CC3)c2)cc1C(=O)[O-] ZINC000777633821 577483639 /nfs/dbraw/zinc/48/36/39/577483639.db2.gz WFIUVROYADGWDC-UHFFFAOYSA-N -2 0 335.385 2.101 20 0 EEADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cc2cc(Cl)ccc2o1 ZINC000739691455 578064380 /nfs/dbraw/zinc/06/43/80/578064380.db2.gz IELGAUIBPLIZOL-UHFFFAOYSA-N -2 0 345.760 2.011 20 0 EEADRL CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)CC(C)(C)C(=O)[O-] ZINC000735902986 578172021 /nfs/dbraw/zinc/17/20/21/578172021.db2.gz BYPDCSAIYRJXAG-UHFFFAOYSA-N -2 0 347.375 2.093 20 0 EEADRL COc1cc(/C=C(/C(=O)[O-])c2ccncc2)ccc1OCC(=O)[O-] ZINC000737870747 578271574 /nfs/dbraw/zinc/27/15/74/578271574.db2.gz HLVCFBCPADUBIJ-MDWZMJQESA-N -2 0 329.308 2.179 20 0 EEADRL CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000820398373 598158471 /nfs/dbraw/zinc/15/84/71/598158471.db2.gz RHXYLSLDKLAHQU-UHFFFAOYSA-N -2 0 349.364 2.136 20 0 EEADRL CCc1cnc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)s1 ZINC000830298723 600985358 /nfs/dbraw/zinc/98/53/58/600985358.db2.gz CAPCFOXIVPZRMM-UHFFFAOYSA-N -2 0 326.399 2.133 20 0 EEADRL CCCn1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000829590935 601328869 /nfs/dbraw/zinc/32/88/69/601328869.db2.gz KCFZIUISSMZSNB-UHFFFAOYSA-N -2 0 337.401 2.409 20 0 EEADRL Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])s1 ZINC000387080438 601357867 /nfs/dbraw/zinc/35/78/67/601357867.db2.gz SOZKSHLOZJLFCY-UHFFFAOYSA-N -2 0 342.354 2.464 20 0 EEADRL Cc1cc2cc([N-]S(=O)(=O)c3csnc3C(=O)[O-])ccc2[nH]1 ZINC000832906770 601834662 /nfs/dbraw/zinc/83/46/62/601834662.db2.gz WQXKCZQKALGFKS-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL CC(C)c1nnc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])s1 ZINC000827168624 601847808 /nfs/dbraw/zinc/84/78/08/601847808.db2.gz PGITZMSPXALFIK-UHFFFAOYSA-N -2 0 345.377 2.300 20 0 EEADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])cc1F ZINC000832887208 601885067 /nfs/dbraw/zinc/88/50/67/601885067.db2.gz HRUSIZMANLITIW-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL CCCC1(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])CCC1 ZINC000829229780 602384016 /nfs/dbraw/zinc/38/40/16/602384016.db2.gz ALIKDBYTZLQHDB-UHFFFAOYSA-N -2 0 331.415 2.222 20 0 EEADRL CC(C)c1nnc([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)s1 ZINC000833512030 605012146 /nfs/dbraw/zinc/01/21/46/605012146.db2.gz LWXGGIMWCVENLH-UHFFFAOYSA-N -2 0 341.414 2.302 20 0 EEADRL CC(C)COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cn1 ZINC000833490727 605187295 /nfs/dbraw/zinc/18/72/95/605187295.db2.gz QUDOFFDLTYMQLP-UHFFFAOYSA-N -2 0 340.357 2.208 20 0 EEADRL CC(C)(C)c1nc([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)no1 ZINC000833450838 605584271 /nfs/dbraw/zinc/58/42/71/605584271.db2.gz LQXDFLOKYZAVTA-UHFFFAOYSA-N -2 0 339.373 2.007 20 0 EEADRL COc1cncc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1C ZINC001186144080 1278968125 /nfs/dbraw/zinc/96/81/25/1278968125.db2.gz WPUZIIBCOJPLOW-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2O)ccc1F ZINC001186193822 1278984790 /nfs/dbraw/zinc/98/47/90/1278984790.db2.gz XRYWLWKMEACRRZ-UHFFFAOYSA-N -2 0 347.270 2.309 20 0 EEADRL CN(C)c1ccccc1NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189888061 1280564427 /nfs/dbraw/zinc/56/44/27/1280564427.db2.gz VFWCNKUCDSZRAF-UHFFFAOYSA-N -2 0 336.284 2.476 20 0 EEADRL Cc1cncnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001193975028 1282801422 /nfs/dbraw/zinc/80/14/22/1282801422.db2.gz RWSWEKZCKXJGJL-UHFFFAOYSA-N -2 0 345.739 2.077 20 0 EEADRL O=C(Oc1ccccc1C1CCCCC1)[C@H](O)COP(=O)([O-])[O-] ZINC001227318172 1301779956 /nfs/dbraw/zinc/77/99/56/1301779956.db2.gz SBVDRSAZYREPNH-CYBMUJFWSA-N -2 0 344.300 2.110 20 0 EEADRL COc1ccc(-c2nn[nH]n2)cc1-c1ccc(C(=O)[O-])c(OC)c1 ZINC001240744399 1309390123 /nfs/dbraw/zinc/39/01/23/1309390123.db2.gz CCWCSNQOULSNLN-UHFFFAOYSA-N -2 0 326.312 2.249 20 0 EEADRL NC(=O)c1cc(O)cc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC001259512613 1319604311 /nfs/dbraw/zinc/60/43/11/1319604311.db2.gz QFGYTBXVOHYYQQ-UHFFFAOYSA-N -2 0 344.751 2.084 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2csc3nccnc23)c1 ZINC001260183877 1319818007 /nfs/dbraw/zinc/81/80/07/1319818007.db2.gz GIJQCFYDCAJUSE-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL COc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cn1 ZINC001260209684 1319832535 /nfs/dbraw/zinc/83/25/35/1319832535.db2.gz CLBGJMCATGDXHI-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL Cc1cn2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)c2n1 ZINC001260209753 1319833057 /nfs/dbraw/zinc/83/30/57/1319833057.db2.gz RMXAUMBQDCHXCJ-UHFFFAOYSA-N -2 0 349.343 2.281 20 0 EEADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)c1F ZINC001600111684 1349973420 /nfs/dbraw/zinc/97/34/20/1349973420.db2.gz KCLHSXIGLYDMRK-UHFFFAOYSA-N -2 0 343.298 2.452 20 0 EEADRL CCc1oncc1[N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001605896296 1351249971 /nfs/dbraw/zinc/24/99/71/1351249971.db2.gz GTWAHSNYOXQZIW-UHFFFAOYSA-N -2 0 336.369 2.154 20 0 EEADRL O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC001608653107 1351734526 /nfs/dbraw/zinc/73/45/26/1351734526.db2.gz ADRQISMMZPNXSJ-AWEZNQCLSA-N -2 0 333.290 2.322 20 0 EEADRL O=C([O-])c1ncsc1S(=O)(=O)NCC1CCC2(CC2)CC1 ZINC001609003319 1351811793 /nfs/dbraw/zinc/81/17/93/1351811793.db2.gz HCDUOPGEAZSWQC-UHFFFAOYSA-N -2 0 330.431 2.090 20 0 EEADRL O=C([O-])/C(=C\c1cccc(C(=O)[O-])c1Cl)CN1CCC(=O)CC1 ZINC001609039334 1351821468 /nfs/dbraw/zinc/82/14/68/1351821468.db2.gz WBQSJFCLSKBPGQ-FLIBITNWSA-N -2 0 337.759 2.171 20 0 EEADRL CCC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC001609956281 1352129317 /nfs/dbraw/zinc/12/93/17/1352129317.db2.gz QNBIRCNWJCEBSY-WCQYABFASA-N -2 0 333.450 2.292 20 0 EEADRL CCc1nc([N-]S(=O)(=O)c2cc(F)ccc2F)sc1C(=O)[O-] ZINC001610072210 1352155600 /nfs/dbraw/zinc/15/56/00/1352155600.db2.gz GLMRMYZSRQGAGT-UHFFFAOYSA-N -2 0 348.352 2.483 20 0 EEADRL CCc1ncc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)s1 ZINC001610073002 1352156018 /nfs/dbraw/zinc/15/60/18/1352156018.db2.gz NADSGMKMFRWXSU-UHFFFAOYSA-N -2 0 348.352 2.483 20 0 EEADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C ZINC001610210283 1352186411 /nfs/dbraw/zinc/18/64/11/1352186411.db2.gz IKDKGXPYELYONC-UHFFFAOYSA-N -2 0 349.364 2.281 20 0 EEADRL Cc1c(NS(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cccc1C(=O)[O-] ZINC001610427287 1352220907 /nfs/dbraw/zinc/22/09/07/1352220907.db2.gz QXCHPDUOTAUSPH-WCQYABFASA-N -2 0 341.385 2.078 20 0 EEADRL Cc1cc(C)c(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)s1 ZINC001610452098 1352224530 /nfs/dbraw/zinc/22/45/30/1352224530.db2.gz ALVCGJUZJAIAPU-GHMZBOCLSA-N -2 0 345.442 2.061 20 0 EEADRL Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC001610480202 1352229730 /nfs/dbraw/zinc/22/97/30/1352229730.db2.gz UZPFVJPGXATVSU-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c2n[nH]cc21 ZINC001610509922 1352235671 /nfs/dbraw/zinc/23/56/71/1352235671.db2.gz NQYDQVQGRQUFDQ-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL Cc1cn(-c2ccc(Cl)cc2)nc1[N-]S(=O)(=O)CCC(=O)[O-] ZINC001610537790 1352240997 /nfs/dbraw/zinc/24/09/97/1352240997.db2.gz WHNZUXANPLPFHU-UHFFFAOYSA-N -2 0 343.792 2.051 20 0 EEADRL Cc1cnn(-c2ccccc2)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001610541363 1352241677 /nfs/dbraw/zinc/24/16/77/1352241677.db2.gz JVTLXQDCIZJYRM-UHFFFAOYSA-N -2 0 347.352 2.273 20 0 EEADRL Cc1nc(S(=O)(=O)[N-]c2cc(Cl)c(F)c(C(=O)[O-])c2)c[nH]1 ZINC001610563478 1352245805 /nfs/dbraw/zinc/24/58/05/1352245805.db2.gz LIIBPNZPXZAFKB-UHFFFAOYSA-N -2 0 333.728 2.010 20 0 EEADRL O=C([O-])CC1(CNC(=O)c2cccc(Cl)c2[O-])CCOCC1 ZINC001610753686 1352268922 /nfs/dbraw/zinc/26/89/22/1352268922.db2.gz PFBCEZLTOYDYNZ-UHFFFAOYSA-N -2 0 327.764 2.047 20 0 EEADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1cccc2c1OCCO2 ZINC001610877211 1352289516 /nfs/dbraw/zinc/28/95/16/1352289516.db2.gz USPQQKZDEHJVEJ-UHFFFAOYSA-N -2 0 341.366 2.018 20 0 EEADRL Cc1cc(S(=O)(=O)Nc2ccsc2C(=O)[O-])ccc1C(=O)[O-] ZINC001600301585 1350015384 /nfs/dbraw/zinc/01/53/84/1350015384.db2.gz RSMXXLUFLSVEIM-UHFFFAOYSA-N -2 0 341.366 2.254 20 0 EEADRL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1C ZINC001600342569 1350024653 /nfs/dbraw/zinc/02/46/53/1350024653.db2.gz SMIZSYBASHQMLM-UHFFFAOYSA-N -2 0 339.394 2.182 20 0 EEADRL Cc1cn2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])oc3C)ccc2n1 ZINC001600613251 1350097752 /nfs/dbraw/zinc/09/77/52/1350097752.db2.gz CWRJRARYEFFNOG-UHFFFAOYSA-N -2 0 335.341 2.043 20 0 EEADRL O=C([O-])CC1(CNS(=O)(=O)c2cccc(Cl)c2[O-])CCCC1 ZINC001601921818 1350398052 /nfs/dbraw/zinc/39/80/52/1350398052.db2.gz BSUMDDMHCCINKS-UHFFFAOYSA-N -2 0 347.820 2.359 20 0 EEADRL O=C([O-])CCCc1nnc(NC(=O)c2coc(C3CCC3)n2)s1 ZINC001602003607 1350415737 /nfs/dbraw/zinc/41/57/37/1350415737.db2.gz YISVWWJBTVCIOA-UHFFFAOYSA-N -2 0 336.373 2.453 20 0 EEADRL O=C([O-])CCSCCNC(=O)c1cccc(Br)c1[O-] ZINC001602029396 1350421670 /nfs/dbraw/zinc/42/16/70/1350421670.db2.gz HFCBOFGYOPISCN-UHFFFAOYSA-N -2 0 348.218 2.092 20 0 EEADRL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccc(C3CC3)cn2)c1 ZINC001602143373 1350449731 /nfs/dbraw/zinc/44/97/31/1350449731.db2.gz QIHWRODGROSMGS-UHFFFAOYSA-N -2 0 332.381 2.387 20 0 EEADRL O=C([O-])c1cc(C2CCN(C(=O)c3c([O-])cccc3F)CC2)no1 ZINC001602250496 1350476577 /nfs/dbraw/zinc/47/65/77/1350476577.db2.gz TUPOMGOIBQXAAO-UHFFFAOYSA-N -2 0 334.303 2.237 20 0 EEADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1nc(C2CCC2)cs1 ZINC001602588059 1350552170 /nfs/dbraw/zinc/55/21/70/1350552170.db2.gz HGRAXTNLKTVMKG-UHFFFAOYSA-N -2 0 345.427 2.366 20 0 EEADRL CC(C)n1cc(S(=O)(=O)[N-]c2cnc(C(=O)[O-])c(Cl)c2)cn1 ZINC001604036202 1350835275 /nfs/dbraw/zinc/83/52/75/1350835275.db2.gz QXSXEFXJFRSTNX-UHFFFAOYSA-N -2 0 344.780 2.011 20 0 EEADRL C[C@H]1CN(c2cc(C(F)(F)F)c(C(=O)[O-])cn2)CC[C@@H]1C(=O)[O-] ZINC001604807863 1351010896 /nfs/dbraw/zinc/01/08/96/1351010896.db2.gz GIJLWLQPRWLKQR-YUMQZZPRSA-N -2 0 332.278 2.346 20 0 EEADRL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C(F)(F)F ZINC001604949067 1351037426 /nfs/dbraw/zinc/03/74/26/1351037426.db2.gz YCGRXUBBMPUXMK-XNCJUZBTSA-N -2 0 346.352 2.097 20 0 EEADRL CCC(CC)[C@H](C)C(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001605011846 1351053722 /nfs/dbraw/zinc/05/37/22/1351053722.db2.gz WLCLMSLVHJWFQT-QITRHPRDSA-N -2 0 325.405 2.083 20 0 EEADRL CCC[C@@H](C)C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)C(=O)[O-] ZINC001605205696 1351102679 /nfs/dbraw/zinc/10/26/79/1351102679.db2.gz AXDQNWGIDWRHCX-SCZZXKLOSA-N -2 0 349.430 2.004 20 0 EEADRL CCc1[nH]nc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c1C ZINC001605778086 1351222736 /nfs/dbraw/zinc/22/27/36/1351222736.db2.gz WGILAJATMDTOAJ-UHFFFAOYSA-N -2 0 343.792 2.433 20 0 EEADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)NC3(C(=O)[O-])CCCC3)n2)c1 ZINC001607789514 1351559062 /nfs/dbraw/zinc/55/90/62/1351559062.db2.gz VXRVLZPEVNYPCZ-UHFFFAOYSA-N -2 0 347.346 2.153 20 0 EEADRL Cc1[nH]c(C(=O)[O-])cc1C([O-])=CS(=O)(=O)Cc1cccc(C)c1 ZINC001607853004 1351571975 /nfs/dbraw/zinc/57/19/75/1351571975.db2.gz FYNNDOVRHYQKFZ-UHFFFAOYSA-N -2 0 335.381 2.127 20 0 EEADRL Cc1csc(C(=O)[O-])c1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC001607922694 1351586578 /nfs/dbraw/zinc/58/65/78/1351586578.db2.gz BIKLAGDVHXMPGZ-UHFFFAOYSA-N -2 0 329.403 2.333 20 0 EEADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)C[C@@H]2C=CCCC2)c1 ZINC001608291389 1351664694 /nfs/dbraw/zinc/66/46/94/1351664694.db2.gz BMJINLHOXVELBH-GFCCVEGCSA-N -2 0 337.397 2.077 20 0 EEADRL O=C([O-])[C@@H](CNC(=O)c1cccc(Cl)c1[O-])Cc1ccncc1 ZINC001608425201 1351692071 /nfs/dbraw/zinc/69/20/71/1351692071.db2.gz YLAMDJQGRQZBOT-LLVKDONJSA-N -2 0 334.759 2.114 20 0 EEADRL O=C(Nc1nc[n-]c(=O)c1Br)c1cccc([S-])c1 ZINC001186130322 1368193321 /nfs/dbraw/zinc/19/33/21/1368193321.db2.gz NEUCXDBRRWMVML-UHFFFAOYSA-N -2 0 326.175 2.486 20 0 EEADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H]1CCCC[C@H]1CCC(=O)[O-] ZINC000837295457 1372779685 /nfs/dbraw/zinc/77/96/85/1372779685.db2.gz KYKYWCHODBRUQE-KXUCPTDWSA-N -2 0 331.356 2.280 20 0 EEADRL O=C1Cc2ccc(NCCOP(=O)([O-])[O-])cc2N1c1ccccc1 ZINC001168595267 791020233 /nfs/dbraw/zinc/02/02/33/791020233.db2.gz IARVOTBTEWTWOA-UHFFFAOYSA-N -2 0 348.295 2.429 20 0 EEADRL CC1(C)CCCC[C@@H]1CC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910182420 786514549 /nfs/dbraw/zinc/51/45/49/786514549.db2.gz HXNWPGZNXUXTON-JHJVBQTASA-N -2 0 325.405 2.369 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)CCc2ccccc2Cl)C1 ZINC000910185717 786517592 /nfs/dbraw/zinc/51/75/92/786517592.db2.gz KIDYILXNTREAPY-DGCLKSJQSA-N -2 0 339.775 2.049 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cc3c(s2)CCCC3)C1 ZINC000910186266 786518606 /nfs/dbraw/zinc/51/86/06/786518606.db2.gz PFTXGEZMNANPGM-QWRGUYRKSA-N -2 0 337.397 2.017 20 0 EEADRL CC[C@H](CC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1ccccc1 ZINC000910187166 786519401 /nfs/dbraw/zinc/51/94/01/786519401.db2.gz BIZJRDUCFWIUHG-SNPRPXQTSA-N -2 0 333.384 2.347 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2csc3ccccc23)C1 ZINC000910190533 786522816 /nfs/dbraw/zinc/52/28/16/786522816.db2.gz XCWKLSHGXDOBRB-SKDRFNHKSA-N -2 0 333.365 2.291 20 0 EEADRL O=C([O-])c1cc(Nc2cccc3c2CNC(=O)N3)cc(C(=O)[O-])c1 ZINC001176245360 798393262 /nfs/dbraw/zinc/39/32/62/798393262.db2.gz XUIXONKXNORPSG-UHFFFAOYSA-N -2 0 327.296 2.462 20 0 EEADRL O=P([O-])([O-])OCCNc1nc(Cl)ncc1-c1ccccc1 ZINC001157791108 810382173 /nfs/dbraw/zinc/38/21/73/810382173.db2.gz IQDXDYSSXLAVGZ-UHFFFAOYSA-N -2 0 329.680 2.318 20 0 EEADRL Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000806633237 811950329 /nfs/dbraw/zinc/95/03/29/811950329.db2.gz IKEBPFPLRCCVDF-UHFFFAOYSA-N -2 0 340.788 2.471 20 0 EEADRL O=C([O-])[C@H]1CCCN(C(=O)c2cc(Br)cc(F)c2[O-])C1 ZINC001595196874 952302199 /nfs/dbraw/zinc/30/21/99/952302199.db2.gz HYSRNNMDIHJSJU-ZETCQYMHSA-N -2 0 346.152 2.231 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ccn(C(C)C)n1 ZINC000385024241 971978069 /nfs/dbraw/zinc/97/80/69/971978069.db2.gz ANUIVPRNDCVBGE-UHFFFAOYSA-N -2 0 329.403 2.333 20 0 EEADRL CCC(CC)(C(=O)[O-])c1noc(C(C)(C)[N-]C(=O)C(F)(F)F)n1 ZINC001589483131 954987191 /nfs/dbraw/zinc/98/71/91/954987191.db2.gz IXPDFXRJUKUIAT-UHFFFAOYSA-N -2 0 337.298 2.126 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])cc1C(F)(F)F ZINC000320777042 970713399 /nfs/dbraw/zinc/71/33/99/970713399.db2.gz HILDVHDLQLWENJ-UHFFFAOYSA-N -2 0 349.290 2.236 20 0 EEADRL CC(C)c1sc([N-]S(=O)(=O)c2cccnc2)nc1C(=O)[O-] ZINC001592117513 976920528 /nfs/dbraw/zinc/92/05/28/976920528.db2.gz QPHPGSQVORRUPB-UHFFFAOYSA-N -2 0 327.387 2.161 20 0 EEADRL CC[C@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001595434993 981061272 /nfs/dbraw/zinc/06/12/72/981061272.db2.gz DMJRULARJRIILD-DTWKUNHWSA-N -2 0 331.415 2.078 20 0 EEADRL CCC[C@@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001595622969 981715590 /nfs/dbraw/zinc/71/55/90/981715590.db2.gz YYSDHMVNHRBYDI-GHMZBOCLSA-N -2 0 343.401 2.308 20 0 EEADRL CCCCc1nnc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)s1 ZINC001595799454 982613113 /nfs/dbraw/zinc/61/31/13/982613113.db2.gz RGURRHJLEOWHOM-UHFFFAOYSA-N -2 0 345.402 2.281 20 0 EEADRL C[C@H](Oc1ccc(Br)cc1)C(=O)[N-]OCCCC(=O)[O-] ZINC001599906002 984923277 /nfs/dbraw/zinc/92/32/77/984923277.db2.gz ARHKNUXYVBIGAS-VIFPVBQESA-N -2 0 346.177 2.129 20 0 EEADRL CCO[C@@H]1C[C@@](NC(=O)c2cccc(Cl)c2[O-])(C(=O)[O-])C1(C)C ZINC001596826815 985435698 /nfs/dbraw/zinc/43/56/98/985435698.db2.gz FNIXYZKYKSQTBO-BDJLRTHQSA-N -2 0 341.791 2.434 20 0 EEADRL CC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cn2C)ccc1C ZINC001589270799 985965367 /nfs/dbraw/zinc/96/53/67/985965367.db2.gz XFWOKKPTSRNMJX-UHFFFAOYSA-N -2 0 336.369 2.035 20 0 EEADRL CC(C)(C(=O)[O-])c1csc([N-]S(=O)(=O)c2ccsc2)n1 ZINC001589656896 987624492 /nfs/dbraw/zinc/62/44/92/987624492.db2.gz CXFYKKPSZSOIQD-UHFFFAOYSA-N -2 0 332.428 2.368 20 0 EEADRL CCc1cc(NC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])ccc1C ZINC001597481208 987966221 /nfs/dbraw/zinc/96/62/21/987966221.db2.gz AFWSHXGWUJAAQF-TZMCWYRMSA-N -2 0 334.372 2.339 20 0 EEADRL CC(C)[C@@]1(C(=O)[O-])C[C@H]1C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001591057468 991467403 /nfs/dbraw/zinc/46/74/03/991467403.db2.gz FRJGDRSXKQIPNB-AYVTZFPOSA-N -2 0 327.283 2.348 20 0 EEADRL C[C@@H](NC(=O)N1CCC[C@](C)(C(=O)[O-])C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593064319 993598397 /nfs/dbraw/zinc/59/83/97/993598397.db2.gz RZUDVWDWRMPKPG-DRAKQNMHSA-N -2 0 340.420 2.018 20 0 EEADRL C[C@@H]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001594363585 999372551 /nfs/dbraw/zinc/37/25/51/999372551.db2.gz HPPHMVPOXBOESB-BDAKNGLRSA-N -2 0 331.415 2.078 20 0 EEADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](CCC(=O)[O-])c1ccccc1 ZINC000275377821 539703942 /nfs/dbraw/zinc/70/39/42/539703942.db2.gz ZJJXPSYZSOOVMF-MWLCHTKSSA-N -2 0 339.335 2.463 20 0 EEADRL CCc1onc(C)c1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000270399017 256131289 /nfs/dbraw/zinc/13/12/89/256131289.db2.gz DWGLBVRJTHQUTN-UHFFFAOYSA-N -2 0 338.385 2.363 20 0 EEADRL Cc1ccc(CCCCC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1 ZINC000738588696 578020276 /nfs/dbraw/zinc/02/02/76/578020276.db2.gz DLXFEVCNMUJXOE-UHFFFAOYSA-N -2 0 341.429 2.019 20 0 EEADRL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000047312902 462768179 /nfs/dbraw/zinc/76/81/79/462768179.db2.gz RQLGCIQUESBVNO-UHFFFAOYSA-N -2 0 336.325 2.402 20 0 EEADRL CCc1ccc([N-]S(=O)(=O)c2c(C)nn(C)c2C)c(C(=O)[O-])c1 ZINC000133391248 462926051 /nfs/dbraw/zinc/92/60/51/462926051.db2.gz ZIUXAMWSGITRIZ-UHFFFAOYSA-N -2 0 337.401 2.098 20 0 EEADRL COc1ccsc1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000348449966 465613156 /nfs/dbraw/zinc/61/31/56/465613156.db2.gz OLQATPQALVIEAE-UHFFFAOYSA-N -2 0 327.383 2.185 20 0 EEADRL COCc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000362298106 465639465 /nfs/dbraw/zinc/63/94/65/465639465.db2.gz HYCIHIQZIZCRFS-UHFFFAOYSA-N -2 0 339.344 2.471 20 0 EEADRL CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000340577379 466182060 /nfs/dbraw/zinc/18/20/60/466182060.db2.gz OTUDMICKQRKKCT-UHFFFAOYSA-N -2 0 348.380 2.452 20 0 EEADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c1 ZINC000361985380 466460610 /nfs/dbraw/zinc/46/06/10/466460610.db2.gz YLNAVQLMERNQRA-UHFFFAOYSA-N -2 0 341.364 2.177 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)ccc1C(=O)[O-] ZINC000324052226 466643412 /nfs/dbraw/zinc/64/34/12/466643412.db2.gz UULQLONDUCAYCT-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c1C(=O)[O-] ZINC000738399586 578012874 /nfs/dbraw/zinc/01/28/74/578012874.db2.gz OZKFVORDQFSLDU-UHFFFAOYSA-N -2 0 329.765 2.179 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])nnc1C ZINC000738463185 578016077 /nfs/dbraw/zinc/01/60/77/578016077.db2.gz BMFQVMBXVJSDJJ-UHFFFAOYSA-N -2 0 341.776 2.246 20 0 EEADRL O=C(N[C@H](c1nnn[n-]1)c1ccccc1)c1ccc([O-])c(Cl)c1 ZINC000747472162 577945133 /nfs/dbraw/zinc/94/51/33/577945133.db2.gz VXKPDHWXOJFYBU-ZDUSSCGKSA-N -2 0 329.747 2.078 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC000740177118 578084143 /nfs/dbraw/zinc/08/41/43/578084143.db2.gz DFMTVNZOHZUTIJ-UHFFFAOYSA-N -3 0 345.716 2.130 20 0 EEADRL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)C(C)(C)C ZINC000736217519 578187797 /nfs/dbraw/zinc/18/77/97/578187797.db2.gz XOJJECSYHUVOHE-SNVBAGLBSA-N -2 0 327.402 2.013 20 0 EEADRL CCn1nc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)[O-])c2)c1C ZINC000737311608 578249693 /nfs/dbraw/zinc/24/96/93/578249693.db2.gz BKNDATOUSITFTQ-UHFFFAOYSA-N -2 0 338.389 2.411 20 0 EEADRL CCCCc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000319606441 600673419 /nfs/dbraw/zinc/67/34/19/600673419.db2.gz MUKJTNJHXQAPPM-UHFFFAOYSA-N -2 0 337.401 2.111 20 0 EEADRL CCC(CC)(NS(=O)(=O)c1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000828849025 600791050 /nfs/dbraw/zinc/79/10/50/600791050.db2.gz FQURSGZCGFIFQW-UHFFFAOYSA-N -2 0 325.308 2.026 20 0 EEADRL C[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000828233786 600941000 /nfs/dbraw/zinc/94/10/00/600941000.db2.gz SIYNOFYAOOWHFC-DTWKUNHWSA-N -2 0 331.415 2.078 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)o1 ZINC000833323619 601363376 /nfs/dbraw/zinc/36/33/76/601363376.db2.gz TXVDUUJWOGRJED-UHFFFAOYSA-N -2 0 333.325 2.169 20 0 EEADRL CCOc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000830084615 601830396 /nfs/dbraw/zinc/83/03/96/601830396.db2.gz HTBCABKNIDDHJA-UHFFFAOYSA-N -2 0 328.371 2.041 20 0 EEADRL CC1(C)CCC(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])CC1 ZINC000828060327 604878082 /nfs/dbraw/zinc/87/80/82/604878082.db2.gz NZZCSFIHESBPNH-UHFFFAOYSA-N -2 0 345.442 2.468 20 0 EEADRL CC1(C)CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C1 ZINC000833557644 605086341 /nfs/dbraw/zinc/08/63/41/605086341.db2.gz ULBWLMSAGQCWFG-CYBMUJFWSA-N -2 0 339.413 2.157 20 0 EEADRL CCO[C@H]1C[C@](NC(=O)c2ccc([O-])c(Cl)c2)(C(=O)[O-])C1(C)C ZINC000909599101 686951883 /nfs/dbraw/zinc/95/18/83/686951883.db2.gz BYEIIWVXQGBBIQ-LRDDRELGSA-N -2 0 341.791 2.434 20 0 EEADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1csc2ccccc21 ZINC000863961022 1197938031 /nfs/dbraw/zinc/93/80/31/1197938031.db2.gz DNPMNHHYXKGLFV-GFCCVEGCSA-N -2 0 341.410 2.063 20 0 EEADRL COc1nc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185876416 1278830573 /nfs/dbraw/zinc/83/05/73/1278830573.db2.gz RHUXRTQTVACKNI-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL CC1(C)C[C@H](CNC(=O)c2ccccc2OP(=O)([O-])[O-])CCO1 ZINC001189899479 1280571161 /nfs/dbraw/zinc/57/11/61/1280571161.db2.gz QLDMVJFDXHUMNY-LLVKDONJSA-N -2 0 343.316 2.093 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2cscn2)cc1C(=O)[O-] ZINC001192608337 1282075896 /nfs/dbraw/zinc/07/58/96/1282075896.db2.gz AEEPDLANMPCWNL-UHFFFAOYSA-N -2 0 328.371 2.041 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(F)c(F)c1O ZINC001198782151 1285327644 /nfs/dbraw/zinc/32/76/44/1285327644.db2.gz DAGQWKKVQQQBEV-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL COc1cncc(-c2noc(-c3ccccc3OP(=O)([O-])[O-])n2)c1 ZINC001216745553 1297274787 /nfs/dbraw/zinc/27/47/87/1297274787.db2.gz DGUJKVCFWVFRDI-UHFFFAOYSA-N -2 0 349.239 2.279 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2nc[n-]c3nc(=S)sc2-3)c1 ZINC001242160590 1309622625 /nfs/dbraw/zinc/62/26/25/1309622625.db2.gz LYJOXPBUZXJJSU-UHFFFAOYSA-N -3 0 333.350 2.438 20 0 EEADRL Cc1ccc(S(C)(=O)=O)cc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242163553 1309623885 /nfs/dbraw/zinc/62/38/85/1309623885.db2.gz ZHLHCFYAPYRCHN-UHFFFAOYSA-N -2 0 334.349 2.462 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)[O-])c2)s1 ZINC001260683828 1319942876 /nfs/dbraw/zinc/94/28/76/1319942876.db2.gz GRJQURPZMKFDFE-UHFFFAOYSA-N -2 0 333.412 2.104 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)no1 ZINC001260868849 1319992992 /nfs/dbraw/zinc/99/29/92/1319992992.db2.gz ONKGJVNRANZFEA-UHFFFAOYSA-N -2 0 339.156 2.496 20 0 EEADRL O=P([O-])([O-])OCCNC(F)(F)c1ccc(Cl)nc1Cl ZINC001157787528 1318859953 /nfs/dbraw/zinc/85/99/53/1318859953.db2.gz LNZUJGALDYILCU-UHFFFAOYSA-N -2 0 337.046 2.137 20 0 EEADRL O=P([O-])([O-])OCCNc1ncnc2c1ccn2C1CCCC1 ZINC001157791732 1318865078 /nfs/dbraw/zinc/86/50/78/1318865078.db2.gz SCRCLWWSBIDGCZ-UHFFFAOYSA-N -2 0 326.293 2.068 20 0 EEADRL Cc1nc2sccc2c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n1 ZINC001260183170 1319816469 /nfs/dbraw/zinc/81/64/69/1319816469.db2.gz ANURFEUKZSFJOB-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL Cn1nc(C2CCC2)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260184365 1319818506 /nfs/dbraw/zinc/81/85/06/1319818506.db2.gz HJVZHAOGJCCNJL-UHFFFAOYSA-N -2 0 335.385 2.187 20 0 EEADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]c1cc(C2CCCC2)[nH]n1 ZINC001602584945 1350551253 /nfs/dbraw/zinc/55/12/53/1350551253.db2.gz KCHCZZJTCAOGAJ-UHFFFAOYSA-N -2 0 342.402 2.023 20 0 EEADRL O=C([O-])CN(CCC(F)(F)F)C(=O)c1cc(F)c([O-])c(F)c1 ZINC001608745206 1351754976 /nfs/dbraw/zinc/75/49/76/1351754976.db2.gz UHGCXEMRCMFGMW-UHFFFAOYSA-N -2 0 327.205 2.150 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)/C=C\c2ccc(Cl)cc2)nn1 ZINC001608905181 1351791090 /nfs/dbraw/zinc/79/10/90/1351791090.db2.gz FAPOPTSCSFTYCE-FPLPWBNLSA-N -2 0 339.760 2.241 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc([C@@H]3CCOC3)cc2)o1 ZINC001608913527 1351792248 /nfs/dbraw/zinc/79/22/48/1351792248.db2.gz XAUUKUWYZDZLJJ-LLVKDONJSA-N -2 0 337.353 2.283 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)c1 ZINC001608991390 1351809686 /nfs/dbraw/zinc/80/96/86/1351809686.db2.gz SZCDOULSKXTNID-UHFFFAOYSA-N -2 0 336.247 2.192 20 0 EEADRL CC(C)(C)c1nc([N-]S(=O)(=O)c2cccnc2)sc1C(=O)[O-] ZINC001609671180 1352055382 /nfs/dbraw/zinc/05/53/82/1352055382.db2.gz APGOKQQZGQYOMF-UHFFFAOYSA-N -2 0 341.414 2.335 20 0 EEADRL CC(C)(NC(=O)c1cc(F)c([O-])c(F)c1)c1nocc1C(=O)[O-] ZINC001609679689 1352057329 /nfs/dbraw/zinc/05/73/29/1352057329.db2.gz JWFJACSPGURUAB-UHFFFAOYSA-N -2 0 326.255 2.022 20 0 EEADRL CC[C@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])C1CCC(C)CC1 ZINC001609884261 1352111135 /nfs/dbraw/zinc/11/11/35/1352111135.db2.gz KYGKQXHRANRUAJ-BPCQOVAHSA-N -2 0 333.450 2.150 20 0 EEADRL CC[C@H](CC(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1)C(C)C ZINC001609913749 1352118700 /nfs/dbraw/zinc/11/87/00/1352118700.db2.gz XALIJXWTWZYMAA-LLVKDONJSA-N -2 0 342.417 2.230 20 0 EEADRL Cc1c(S(=O)(=O)[N-]c2cncc(C(=O)[O-])c2)c2ccccc2n1C ZINC001610427749 1352221007 /nfs/dbraw/zinc/22/10/07/1352221007.db2.gz VMHIZSVDRITHGV-UHFFFAOYSA-N -2 0 345.380 2.381 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2nccc3ccncc32)c1 ZINC001610850087 1352285609 /nfs/dbraw/zinc/28/56/09/1352285609.db2.gz KFCGHKVEHVDGMY-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL O=C([O-])c1cncc(S(=O)(=O)[N-]c2cncc3ccccc32)c1 ZINC001610863712 1352287245 /nfs/dbraw/zinc/28/72/45/1352287245.db2.gz DKNYEHKGKVESKB-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2n[nH]c3c2cccc3Cl)c1 ZINC001610866715 1352287598 /nfs/dbraw/zinc/28/75/98/1352287598.db2.gz CLCTVBPPMKSNEO-UHFFFAOYSA-N -2 0 341.732 2.308 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C2CC2)nn1C ZINC001599999530 1349952899 /nfs/dbraw/zinc/95/28/99/1349952899.db2.gz FJOQPDWVDDDBQN-UHFFFAOYSA-N -2 0 335.385 2.105 20 0 EEADRL Cc1cc(Cl)ccc1NC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC001600220878 1349996040 /nfs/dbraw/zinc/99/60/40/1349996040.db2.gz IXCZWDJRRAXQJL-BXKDBHETSA-N -2 0 340.763 2.430 20 0 EEADRL Cc1csc(NC(=O)C[C@]2(C(=O)[O-])CCSC2)c1C(=O)[O-] ZINC001600662678 1350112716 /nfs/dbraw/zinc/11/27/16/1350112716.db2.gz CFOGUWLMWVAVKK-CYBMUJFWSA-N -2 0 329.399 2.291 20 0 EEADRL Cc1nn(C)c([N-]S(=O)(=O)c2c(C)sc(C)c2C)c1C(=O)[O-] ZINC001600774466 1350133578 /nfs/dbraw/zinc/13/35/78/1350133578.db2.gz PLNJONBGPABCGQ-UHFFFAOYSA-N -2 0 343.430 2.214 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cnc(C(C)C)nc2)c1C(=O)[O-] ZINC001600838790 1350148815 /nfs/dbraw/zinc/14/88/15/1350148815.db2.gz QKNAZDYHUKYKAG-UHFFFAOYSA-N -2 0 339.373 2.309 20 0 EEADRL O=C([O-])[C@H](CNC(=O)c1ccc2oc(=O)nc-2[n-]1)C1CCCCCC1 ZINC001601451586 1350286228 /nfs/dbraw/zinc/28/62/28/1350286228.db2.gz JDCFAQQLTIBHBX-LLVKDONJSA-N -2 0 347.371 2.329 20 0 EEADRL O=C([O-])C1(CS(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC001601711834 1350345503 /nfs/dbraw/zinc/34/55/03/1350345503.db2.gz ATEUCRGRCHSMJX-JTQLQIEISA-N -2 0 337.319 2.074 20 0 EEADRL O=C([O-])CC[C@H]1CCCN(C(=O)NCCc2ccc(C(=O)[O-])cc2)C1 ZINC001601976026 1350409245 /nfs/dbraw/zinc/40/92/45/1350409245.db2.gz CLSBDWVMAAKNSZ-CQSZACIVSA-N -2 0 348.399 2.214 20 0 EEADRL O=C([O-])CCCO[N-]C(=O)CSc1ccc(C(F)(F)F)cn1 ZINC001601995267 1350413398 /nfs/dbraw/zinc/41/33/98/1350413398.db2.gz NIDKUXYFVJZVML-UHFFFAOYSA-N -2 0 338.307 2.105 20 0 EEADRL O=C([O-])CSCC(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC001602097034 1350436833 /nfs/dbraw/zinc/43/68/33/1350436833.db2.gz FNGHYYOQBHSNQB-UHFFFAOYSA-N -2 0 337.275 2.160 20 0 EEADRL O=C([O-])[C@H]1CC(F)(F)CN1C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001602211487 1350467474 /nfs/dbraw/zinc/46/74/74/1350467474.db2.gz QIPNHUIOCSOEKM-MRVPVSSYSA-N -2 0 339.216 2.345 20 0 EEADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccnn2CC2CCC2)c1 ZINC001602564624 1350548122 /nfs/dbraw/zinc/54/81/22/1350548122.db2.gz ABLQPDIBJQKXRL-UHFFFAOYSA-N -2 0 341.414 2.244 20 0 EEADRL CC(C)[C@]1(C(=O)[O-])C[C@@H]1C(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001603746459 1350757318 /nfs/dbraw/zinc/75/73/18/1350757318.db2.gz VVQCQNGKCMTOOY-RFAUZJTJSA-N -2 0 327.283 2.348 20 0 EEADRL CC(C)c1nnc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)s1 ZINC001604026598 1350833060 /nfs/dbraw/zinc/83/30/60/1350833060.db2.gz JSQIRGBQMRUUIL-UHFFFAOYSA-N -2 0 341.414 2.089 20 0 EEADRL C[C@@H](/C=C/C(=O)[O-])NC(=O)c1cc(Br)cc(F)c1[O-] ZINC001604058748 1350842476 /nfs/dbraw/zinc/84/24/76/1350842476.db2.gz FXGHPHGNTJIOFC-SZKDQXIBSA-N -2 0 332.125 2.053 20 0 EEADRL C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001604449371 1350940092 /nfs/dbraw/zinc/94/00/92/1350940092.db2.gz QLVDUIHNOSXHRA-RITPCOANSA-N -2 0 333.312 2.196 20 0 EEADRL C[C@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001604727273 1350992318 /nfs/dbraw/zinc/99/23/18/1350992318.db2.gz YSPQADYUUZOLMV-DTWKUNHWSA-N -2 0 331.415 2.078 20 0 EEADRL COc1ccc(NC(=O)c2cccc(Cl)c2[O-])cc1-c1nn[nH]n1 ZINC001605296891 1351128123 /nfs/dbraw/zinc/12/81/23/1351128123.db2.gz HJERSRWGBXNUQR-UHFFFAOYSA-N -2 0 345.746 2.487 20 0 EEADRL CO[C@@H](C)c1cc(=O)n(-c2cc(C(=O)[O-])ccc2Br)[n-]1 ZINC001606659830 1351338735 /nfs/dbraw/zinc/33/87/35/1351338735.db2.gz NOKHWZDHTHHDGF-ZETCQYMHSA-N -2 0 341.161 2.275 20 0 EEADRL Cc1cc(S(=O)(=O)N[C@@H](C)CCCCC(=O)[O-])ccc1C(=O)[O-] ZINC001607705187 1351543286 /nfs/dbraw/zinc/54/32/86/1351543286.db2.gz GSKUMTVLHKKQJZ-NSHDSACASA-N -2 0 343.401 2.005 20 0 EEADRL Cc1n[nH]c(C)c1[N-]S(=O)(=O)c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001607936922 1351589846 /nfs/dbraw/zinc/58/98/46/1351589846.db2.gz NLVFWTZCDRJTNJ-UHFFFAOYSA-N -2 0 337.401 2.190 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc(C2CC2)n1 ZINC001607966623 1351594384 /nfs/dbraw/zinc/59/43/84/1351594384.db2.gz YENCMCOHYKJFPQ-UHFFFAOYSA-N -2 0 333.369 2.161 20 0 EEADRL O=C([O-])[C@H](NC(=O)c1cccc(F)c1[O-])c1cc(F)ccc1F ZINC001608384994 1351683100 /nfs/dbraw/zinc/68/31/00/1351683100.db2.gz JHEIWJGVFYEJJR-GFCCVEGCSA-N -2 0 325.242 2.365 20 0 EEADRL CSC[C@H](NS(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000906005489 783637230 /nfs/dbraw/zinc/63/72/30/783637230.db2.gz RSSFWRNTQXVRBF-ZETCQYMHSA-N -2 0 344.241 2.088 20 0 EEADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CCC[C@@H]3CCC[C@H]32)c1 ZINC000906877663 784204816 /nfs/dbraw/zinc/20/48/16/784204816.db2.gz YCJVUGUHSHSNDT-CMPLNLGQSA-N -2 0 325.386 2.044 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)cccc1C(=O)[O-] ZINC000821172535 786644482 /nfs/dbraw/zinc/64/44/82/786644482.db2.gz ATPWCRBHBOPYNB-UHFFFAOYSA-N -2 0 349.290 2.236 20 0 EEADRL Cc1cnc(Cl)c(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])c1 ZINC001148915689 792783036 /nfs/dbraw/zinc/78/30/36/792783036.db2.gz YLFXHDHQKGKYNX-UHFFFAOYSA-N -2 0 342.760 2.248 20 0 EEADRL COC(=O)c1ccc(N)c(N(C)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176244786 798393051 /nfs/dbraw/zinc/39/30/51/798393051.db2.gz OOWFNQKERKKSGC-UHFFFAOYSA-N -2 0 344.323 2.220 20 0 EEADRL O=C([O-])c1cc(Nc2cccc3c2CCNC3=O)cc(C(=O)[O-])c1 ZINC001176244297 798393135 /nfs/dbraw/zinc/39/31/35/798393135.db2.gz JQEZDQAYGCATQZ-UHFFFAOYSA-N -2 0 326.308 2.113 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cccc3c2ncn3C)cc1C(=O)[O-] ZINC001184704162 802138250 /nfs/dbraw/zinc/13/82/50/802138250.db2.gz VJALYLVKVOQVJE-UHFFFAOYSA-N -2 0 345.380 2.381 20 0 EEADRL COc1ccc(S(=O)(=O)Nc2nc(C)ccc2F)cc1C(=O)[O-] ZINC001185275952 802433526 /nfs/dbraw/zinc/43/35/26/802433526.db2.gz RFZHWLISIIRZIJ-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL CC(C)(C(=O)[O-])n1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)n1 ZINC001602846554 971679567 /nfs/dbraw/zinc/67/95/67/971679567.db2.gz RMTZKODYUHFBLQ-UHFFFAOYSA-N -2 0 343.792 2.157 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@H]2CC[C@H](c3ccccc3)C2)C1 ZINC001552982146 1125465454 /nfs/dbraw/zinc/46/54/54/1125465454.db2.gz FEFYIAFYAZBKRI-CAOSSQGBSA-N -2 0 345.395 2.347 20 0 EEADRL O=C([O-])C1(NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])CCCC1 ZINC001594721431 956972288 /nfs/dbraw/zinc/97/22/88/956972288.db2.gz VDHWHWDKUAQAPG-UHFFFAOYSA-N -2 0 349.774 2.359 20 0 EEADRL C[C@@H]1CCC[C@H](CCNS(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000134713498 958857561 /nfs/dbraw/zinc/85/75/61/958857561.db2.gz VZZJXUPTHDDIFS-NXEZZACHSA-N -2 0 332.447 2.336 20 0 EEADRL N#Cc1ccc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])c(Cl)c1 ZINC000317454006 970360749 /nfs/dbraw/zinc/36/07/49/970360749.db2.gz VBAVPIUJYNIXJR-UHFFFAOYSA-N -2 0 337.744 2.106 20 0 EEADRL O=C([O-])CCN(C(=O)c1cccc(Cl)c1[O-])C1CCOCC1 ZINC001606188675 973433466 /nfs/dbraw/zinc/43/34/66/973433466.db2.gz CLFNZACAJIGQPT-UHFFFAOYSA-N -2 0 327.764 2.142 20 0 EEADRL CC(C)c1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)no1 ZINC001591936139 976458599 /nfs/dbraw/zinc/45/85/99/976458599.db2.gz QTUFQJUNCGDGOK-UHFFFAOYSA-N -2 0 342.348 2.365 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])c(F)c2)cn1 ZINC000795335811 978832219 /nfs/dbraw/zinc/83/22/19/978832219.db2.gz WYJCNHJXTGWZEP-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2sc(C)c(C)c2C(=O)[O-])cn1 ZINC000833683317 979222014 /nfs/dbraw/zinc/22/20/14/979222014.db2.gz KQUSGDHHMZIDPK-UHFFFAOYSA-N -2 0 329.403 2.080 20 0 EEADRL CCCc1c(C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)[nH]c(C)c1C(=O)[O-] ZINC001596030256 983298308 /nfs/dbraw/zinc/29/83/08/983298308.db2.gz HPLZHROXZGFNDM-JOYOIKCWSA-N -2 0 336.388 2.157 20 0 EEADRL CCc1ccc(C(=O)[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)s1 ZINC001597501214 988065867 /nfs/dbraw/zinc/06/58/67/988065867.db2.gz ZMOYXYHHSHIEQL-UHFFFAOYSA-N -2 0 343.382 2.029 20 0 EEADRL CC(C)[C@@H](CNC(=O)Nc1ccc(OCCC(=O)[O-])cc1)C(=O)[O-] ZINC001590989519 991199916 /nfs/dbraw/zinc/19/99/16/991199916.db2.gz XLHTYKMESMNQEL-CYBMUJFWSA-N -2 0 338.360 2.018 20 0 EEADRL COc1ccccc1C[C@@H](CNC(=O)c1cccc(F)c1[O-])C(=O)[O-] ZINC001599710951 991369775 /nfs/dbraw/zinc/36/97/75/991369775.db2.gz XQXCRHPGQCVKOV-LBPRGKRZSA-N -2 0 347.342 2.213 20 0 EEADRL C[C@H]1CCN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C[C@H]1C(=O)[O-] ZINC001594404031 999513470 /nfs/dbraw/zinc/51/34/70/999513470.db2.gz XONMZYDASHZSCV-IONNQARKSA-N -2 0 342.298 2.238 20 0 EEADRL C[C@H]1CCN(Cc2ncc(Br)cc2[O-])[C@@H](C(=O)[O-])C1 ZINC001594427609 999597883 /nfs/dbraw/zinc/59/78/83/999597883.db2.gz WKAJGKBZMBJSHC-GZMMTYOYSA-N -2 0 329.194 2.235 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2c[nH]c3ncccc23)cc(C(=O)[O-])c1 ZINC000350483621 539874956 /nfs/dbraw/zinc/87/49/56/539874956.db2.gz VDBLSTMRDYJAAZ-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL COc1ccc(OC)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000013300060 255746643 /nfs/dbraw/zinc/74/66/43/255746643.db2.gz SWFHWMRTLJOWGD-UHFFFAOYSA-N -2 0 343.382 2.264 20 0 EEADRL Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000352436556 162134206 /nfs/dbraw/zinc/13/42/06/162134206.db2.gz IHZRZDQXPHWWQL-SNVBAGLBSA-N -2 0 337.401 2.108 20 0 EEADRL Cc1cc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)ccc2[nH]1 ZINC000356083675 163327978 /nfs/dbraw/zinc/32/79/78/163327978.db2.gz FXAMITQMFPNQDT-UHFFFAOYSA-N -2 0 333.369 2.314 20 0 EEADRL Cc1cc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)ccc1C(=O)[O-] ZINC000360861194 164392471 /nfs/dbraw/zinc/39/24/71/164392471.db2.gz REWUVDYOTDVWMX-UHFFFAOYSA-N -2 0 349.364 2.121 20 0 EEADRL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2cn3c(n2)CCCC3)c1 ZINC000355818722 301172531 /nfs/dbraw/zinc/17/25/31/301172531.db2.gz YQNIGVOCZMTVTD-UHFFFAOYSA-N -2 0 349.412 2.335 20 0 EEADRL Cc1[n-]n(-c2cccc(-c3cnn(C)c3C)c2)c(=O)c1CC(=O)[O-] ZINC000564469739 319087361 /nfs/dbraw/zinc/08/73/61/319087361.db2.gz BJTATPYAEVUNMP-AWEZNQCLSA-N -2 0 326.356 2.209 20 0 EEADRL COc1ccccc1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC000047202300 462755238 /nfs/dbraw/zinc/75/52/38/462755238.db2.gz BZKHXFSQZWCLEG-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000126888943 463669130 /nfs/dbraw/zinc/66/91/30/463669130.db2.gz XGZMJZDEYKGWTG-UHFFFAOYSA-N -2 0 340.332 2.499 20 0 EEADRL CC(C)n1cnc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c1 ZINC000338222104 465914308 /nfs/dbraw/zinc/91/43/08/465914308.db2.gz UJPRXYKAUIHVFM-UHFFFAOYSA-N -2 0 327.337 2.102 20 0 EEADRL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000354240678 466409763 /nfs/dbraw/zinc/40/97/63/466409763.db2.gz URJJIMHVCBZOGA-UHFFFAOYSA-N -2 0 331.300 2.155 20 0 EEADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cs1 ZINC000350742498 466592923 /nfs/dbraw/zinc/59/29/23/466592923.db2.gz XGHICKFKJDADAG-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL O=C([O-])C[C@H]1CCCCN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000653320438 471582257 /nfs/dbraw/zinc/58/22/57/471582257.db2.gz NDQRWAUUTVEDLI-LLVKDONJSA-N -2 0 347.346 2.186 20 0 EEADRL CC(C)C[C@H](CNC(=O)N1CCC[C@@H](CC(=O)[O-])C1)CC(=O)[O-] ZINC000659415437 471615418 /nfs/dbraw/zinc/61/54/18/471615418.db2.gz KUOJJIMGLNNKRP-STQMWFEESA-N -2 0 328.409 2.020 20 0 EEADRL CCC(CC)c1n[n-]c(=NC(=O)NC[C@H](C(=O)[O-])C(C)C)s1 ZINC000653534515 471655324 /nfs/dbraw/zinc/65/53/24/471655324.db2.gz PROPMJLWRHSLBC-JTQLQIEISA-N -2 0 328.438 2.342 20 0 EEADRL C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000663055533 472342377 /nfs/dbraw/zinc/34/23/77/472342377.db2.gz AJRIGFBWUJFAAW-MNOVXSKESA-N -2 0 347.346 2.042 20 0 EEADRL CC(C)c1nc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c[nH]1 ZINC000673882973 485569726 /nfs/dbraw/zinc/56/97/26/485569726.db2.gz AEDIRQYJBCJPHI-UHFFFAOYSA-N -2 0 327.337 2.171 20 0 EEADRL CSc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)nc1 ZINC000738212594 578004000 /nfs/dbraw/zinc/00/40/00/578004000.db2.gz MNEGYLJLTFFXGF-UHFFFAOYSA-N -2 0 330.412 2.364 20 0 EEADRL Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000738478285 576474474 /nfs/dbraw/zinc/47/44/74/576474474.db2.gz HOTLOHLPVHZQPR-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc(-c2ccccc2)cc1 ZINC000739690992 578064408 /nfs/dbraw/zinc/06/44/08/578064408.db2.gz DAISXVNAXGDXJK-UHFFFAOYSA-N -2 0 347.392 2.278 20 0 EEADRL O=C([O-])Cn1ccc(NC(=O)c2ccc(Cl)c(Cl)c2[O-])n1 ZINC000739919951 578073397 /nfs/dbraw/zinc/07/33/97/578073397.db2.gz RLBIUKHOWXRQGE-UHFFFAOYSA-N -2 0 330.127 2.232 20 0 EEADRL CC(C)(C)CCC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000736252252 578190916 /nfs/dbraw/zinc/19/09/16/578190916.db2.gz ZDYOVUVCINMFKK-UHFFFAOYSA-N -2 0 327.402 2.157 20 0 EEADRL CC(C)C[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736403498 578201447 /nfs/dbraw/zinc/20/14/47/578201447.db2.gz GNNGVHVIMOFHDM-VIFPVBQESA-N -2 0 333.431 2.324 20 0 EEADRL CCOCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000737177123 578242347 /nfs/dbraw/zinc/24/23/47/578242347.db2.gz ALEVMCISWYTOMQ-UHFFFAOYSA-N -2 0 325.342 2.315 20 0 EEADRL Cc1cc(F)cc(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC000832887626 600938356 /nfs/dbraw/zinc/93/83/56/600938356.db2.gz RRPLMOPSWCYJNK-UHFFFAOYSA-N -2 0 343.357 2.013 20 0 EEADRL O=C([O-])[C@@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CCO1 ZINC000819319714 601210304 /nfs/dbraw/zinc/21/03/04/601210304.db2.gz DCPTXEDWKWIASF-ZDUSSCGKSA-N -2 0 335.743 2.124 20 0 EEADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(CCC(=O)[O-])C(C)C)n1 ZINC000832890579 601287048 /nfs/dbraw/zinc/28/70/48/601287048.db2.gz XZTQECBMCWAICI-UHFFFAOYSA-N -2 0 349.362 2.351 20 0 EEADRL CN(CCCC(=O)[O-])C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000830768332 601387921 /nfs/dbraw/zinc/38/79/21/601387921.db2.gz NMFSOMHJAGAAFH-UHFFFAOYSA-N -2 0 337.763 2.168 20 0 EEADRL COc1c(F)ccc(F)c1C(=O)[N-]c1nnc(CCC(=O)[O-])s1 ZINC000831856446 601680315 /nfs/dbraw/zinc/68/03/15/601680315.db2.gz GXQVVAPUQRGRLE-UHFFFAOYSA-N -2 0 343.311 2.094 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(CC(C)C)[nH]n1 ZINC000832853033 602212419 /nfs/dbraw/zinc/21/24/19/602212419.db2.gz QHCDMENBENKKFK-UHFFFAOYSA-N -2 0 337.401 2.416 20 0 EEADRL Cc1[nH]nc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c1C ZINC000832990737 602212730 /nfs/dbraw/zinc/21/27/30/602212730.db2.gz GZTGGVYHVINHCW-UHFFFAOYSA-N -2 0 329.765 2.179 20 0 EEADRL CC(C)c1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)s1 ZINC000833511110 604700890 /nfs/dbraw/zinc/70/08/90/604700890.db2.gz AHIOSVUDCSCGIT-UHFFFAOYSA-N -2 0 327.387 2.161 20 0 EEADRL CC(C)c1nnc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)s1 ZINC000833512461 605167054 /nfs/dbraw/zinc/16/70/54/605167054.db2.gz XMAXALWVMQVEOW-UHFFFAOYSA-N -2 0 345.377 2.300 20 0 EEADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000863959571 1197937547 /nfs/dbraw/zinc/93/75/47/1197937547.db2.gz JGHVJQFLXUUVJA-KRWDZBQOSA-N -2 0 347.392 2.146 20 0 EEADRL Cn1nc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198740547 1285314442 /nfs/dbraw/zinc/31/44/42/1285314442.db2.gz JHKBWRKHCHAYPQ-UHFFFAOYSA-N -2 0 337.401 2.217 20 0 EEADRL Cc1cc(-c2noc(-c3cc(S(=O)(=O)[O-])ccc3[O-])n2)ccn1 ZINC001215454164 1296909997 /nfs/dbraw/zinc/90/99/97/1296909997.db2.gz MDPLZGXGDCTBHJ-UHFFFAOYSA-N -2 0 333.325 2.059 20 0 EEADRL O=C([O-])Cc1ccc(F)c(Nc2ccc(S(=O)(=O)[O-])cc2)c1 ZINC001216682004 1297252942 /nfs/dbraw/zinc/25/29/42/1297252942.db2.gz SLIACARIIWIBFN-UHFFFAOYSA-N -2 0 325.317 2.443 20 0 EEADRL COC(=O)[C@@H]1C[C@H](Oc2ccc(OP(=O)([O-])[O-])cc2)C1(C)C ZINC001234337058 1304885265 /nfs/dbraw/zinc/88/52/65/1304885265.db2.gz WPDOLLDYIXIPES-RYUDHWBXSA-N -2 0 330.273 2.125 20 0 EEADRL CN1C(=O)COc2ccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)cc21 ZINC001242160954 1309622607 /nfs/dbraw/zinc/62/26/07/1309622607.db2.gz MCMCCOQIWUUTBD-UHFFFAOYSA-N -2 0 327.292 2.105 20 0 EEADRL CC(=O)[N-]S(=O)(=O)c1ccc(-c2cc(F)c([O-])c(Cl)c2)nc1 ZINC001244500185 1309952744 /nfs/dbraw/zinc/95/27/44/1309952744.db2.gz RLDAGMFZXBPWNR-UHFFFAOYSA-N -2 0 344.751 2.072 20 0 EEADRL COc1cc(Cl)nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC001260222103 1319836910 /nfs/dbraw/zinc/83/69/10/1319836910.db2.gz LKJJRCCESUVYEN-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL CCOc1ccc(C(=O)NCCOP(=O)([O-])[O-])c2ccccc12 ZINC001153520126 1316837917 /nfs/dbraw/zinc/83/79/17/1316837917.db2.gz ONDZVXNFXSPWND-UHFFFAOYSA-N -2 0 339.284 2.078 20 0 EEADRL C[C@@H]1CCc2c(sc3ncnc(NCCOP(=O)([O-])[O-])c23)C1 ZINC001157791429 1318863551 /nfs/dbraw/zinc/86/35/51/1318863551.db2.gz NTISNPDKCRNVSX-MRVPVSSYSA-N -2 0 343.345 2.337 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cnc3ccc(O)cc3c2)c1 ZINC001260184031 1319817893 /nfs/dbraw/zinc/81/78/93/1319817893.db2.gz OJKIEGUAKPEGGN-UHFFFAOYSA-N -2 0 344.348 2.439 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(-c3ccco3)no2)c1 ZINC001260183891 1319818756 /nfs/dbraw/zinc/81/87/56/1319818756.db2.gz HBWLTMHOZDBFDJ-UHFFFAOYSA-N -2 0 334.309 2.434 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n(CC2CC2)n1 ZINC001260184388 1319818912 /nfs/dbraw/zinc/81/89/12/1319818912.db2.gz IUFPJNVOUZWFRZ-UHFFFAOYSA-N -2 0 335.385 2.101 20 0 EEADRL CC(C)c1nccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260210788 1319832473 /nfs/dbraw/zinc/83/24/73/1319832473.db2.gz ZWDMBNSVFFEWJS-UHFFFAOYSA-N -2 0 339.348 2.238 20 0 EEADRL Cc1cc(F)ncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260209821 1319833044 /nfs/dbraw/zinc/83/30/44/1319833044.db2.gz WEVGCXPMXUOLIM-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL Cc1c(CO)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260215718 1319834485 /nfs/dbraw/zinc/83/44/85/1319834485.db2.gz TURLBVYRQCHMAV-UHFFFAOYSA-N -2 0 339.344 2.125 20 0 EEADRL CCc1cccc(O)c1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260400546 1319884284 /nfs/dbraw/zinc/88/42/84/1319884284.db2.gz RNGHJLYREIYQIK-UHFFFAOYSA-N -2 0 337.353 2.159 20 0 EEADRL O=C([O-])c1ccc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)cn1 ZINC001210176533 1325192807 /nfs/dbraw/zinc/19/28/07/1325192807.db2.gz DCGNSWILMMYFRW-UHFFFAOYSA-N -2 0 328.733 2.424 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)c(C(=O)[O-])c1 ZINC001607822176 1351565582 /nfs/dbraw/zinc/56/55/82/1351565582.db2.gz WGBGSBXQTFQNNM-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL Cc1nn(C)c([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c1C(=O)[O-] ZINC001607821535 1351565665 /nfs/dbraw/zinc/56/56/65/1351565665.db2.gz BCKZCQIVUPQDMF-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL Cn1ncc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1C(C)(C)C ZINC001608156121 1351636762 /nfs/dbraw/zinc/63/67/62/1351636762.db2.gz JOXPTHQSTKYJKI-UHFFFAOYSA-N -2 0 337.401 2.217 20 0 EEADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1C1CCCC1 ZINC001609009703 1351813376 /nfs/dbraw/zinc/81/33/76/1351813376.db2.gz DLPTZVCHIRTRRS-UWVGGRQHSA-N -2 0 343.426 2.078 20 0 EEADRL C[C@H](CCC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])c1ccccc1 ZINC001609737766 1352072733 /nfs/dbraw/zinc/07/27/33/1352072733.db2.gz ILRKXUNVWXKDBL-FRRDWIJNSA-N -2 0 341.429 2.126 20 0 EEADRL CC[C@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001609899091 1352114195 /nfs/dbraw/zinc/11/41/95/1352114195.db2.gz BRWWUAALBKFFHY-WDEREUQCSA-N -2 0 327.402 2.013 20 0 EEADRL Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001610479660 1352229912 /nfs/dbraw/zinc/22/99/12/1352229912.db2.gz JINJQNOVBYBWRN-UHFFFAOYSA-N -2 0 346.368 2.074 20 0 EEADRL Cc1cnn(CC2CC2)c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC001610541536 1352242160 /nfs/dbraw/zinc/24/21/60/1352242160.db2.gz HRBZIZSGBBZDNW-UHFFFAOYSA-N -2 0 349.412 2.409 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nccc3ccncc32)ccc1F ZINC001610816969 1352279621 /nfs/dbraw/zinc/27/96/21/1352279621.db2.gz JDZALZHHSPTEMY-UHFFFAOYSA-N -2 0 347.327 2.268 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)[nH]n2)c1C(=O)[O-] ZINC001600549572 1350079936 /nfs/dbraw/zinc/07/99/36/1350079936.db2.gz DLIPFRNLIJNWMJ-UHFFFAOYSA-N -2 0 349.290 2.236 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2nccc3ccncc32)c1C(=O)[O-] ZINC001600550617 1350080082 /nfs/dbraw/zinc/08/00/82/1350080082.db2.gz HZESWZVUDOVQPP-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)[C@H]1CCCC(C)(C)C1 ZINC001600834602 1350147835 /nfs/dbraw/zinc/14/78/35/1350147835.db2.gz XZGBMSHVZZAZJE-JTQLQIEISA-N -2 0 343.401 2.308 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)C=C2CCCC2)cc1Cl ZINC001601229136 1350236758 /nfs/dbraw/zinc/23/67/58/1350236758.db2.gz CLXJOBLRJOEZPA-UHFFFAOYSA-N -2 0 343.788 2.344 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)CC2CCCCC2)c1 ZINC001601253810 1350242321 /nfs/dbraw/zinc/24/23/21/1350242321.db2.gz IQQDGBDLBMAAQJ-UHFFFAOYSA-N -2 0 325.386 2.160 20 0 EEADRL O=C([O-])[C@@H]1CCN(C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)[O-])C1 ZINC001601824271 1350373168 /nfs/dbraw/zinc/37/31/68/1350373168.db2.gz SCKWDFWHHAECQH-LDYMZIIASA-N -2 0 326.736 2.122 20 0 EEADRL O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)cc1 ZINC001601885983 1350390439 /nfs/dbraw/zinc/39/04/39/1350390439.db2.gz RJHWGWFDHRRBAB-FPYGCLRLSA-N -2 0 345.380 2.253 20 0 EEADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc(C2CCCC2)cc1 ZINC001601999344 1350414305 /nfs/dbraw/zinc/41/43/05/1350414305.db2.gz VEPXSYCSVNRFEB-UHFFFAOYSA-N -2 0 339.413 2.269 20 0 EEADRL O=C([O-])COc1ccc([N-]S(=O)(=O)c2ccco2)cc1Cl ZINC001602091059 1350435105 /nfs/dbraw/zinc/43/51/05/1350435105.db2.gz ISQSVKYLJLRWCG-UHFFFAOYSA-N -2 0 331.733 2.197 20 0 EEADRL O=C([O-])c1cc(F)cc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1F ZINC001602270588 1350482507 /nfs/dbraw/zinc/48/25/07/1350482507.db2.gz GZTFOZXSGRVFEV-SFYZADRCSA-N -2 0 327.283 2.493 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2noc3ccc(Cl)cc23)c[nH]1 ZINC001602298303 1350487845 /nfs/dbraw/zinc/48/78/45/1350487845.db2.gz YAAGSGMZEZOMAO-UHFFFAOYSA-N -2 0 341.732 2.308 20 0 EEADRL O=C([O-])c1cccc2c1OCCN(C(=O)c1c([O-])cc(F)cc1F)C2 ZINC001602459919 1350524268 /nfs/dbraw/zinc/52/42/68/1350524268.db2.gz CEFPCYBNOLNPJM-UHFFFAOYSA-N -2 0 349.289 2.403 20 0 EEADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)/C=C/C1CCCCCC1 ZINC001603190944 1350659876 /nfs/dbraw/zinc/65/98/76/1350659876.db2.gz YURGWWCSCKEWNE-NYXKHXTOSA-N -2 0 331.434 2.068 20 0 EEADRL CC(C)(C)c1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)no1 ZINC001603556182 1350719240 /nfs/dbraw/zinc/71/92/40/1350719240.db2.gz BZLXLTCUEGKNIK-UHFFFAOYSA-N -2 0 343.336 2.005 20 0 EEADRL CC(C)[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001603752756 1350757974 /nfs/dbraw/zinc/75/79/74/1350757974.db2.gz QBZUEDPMORAWOP-BDAKNGLRSA-N -2 0 345.804 2.135 20 0 EEADRL CC(C)c1ccoc1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001604010047 1350828259 /nfs/dbraw/zinc/82/82/59/1350828259.db2.gz BWYVGDVVXRWKLW-UHFFFAOYSA-N -2 0 343.382 2.281 20 0 EEADRL CC(C)c1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)no1 ZINC001604018515 1350830895 /nfs/dbraw/zinc/83/08/95/1350830895.db2.gz LMRRUIJZWWEATL-UHFFFAOYSA-N -2 0 345.764 2.345 20 0 EEADRL C[C@](CC(=O)[O-])(NC(=O)c1cc(F)cc(F)c1[O-])c1ccncc1 ZINC001604085665 1350850580 /nfs/dbraw/zinc/85/05/80/1350850580.db2.gz LBKXEKVCMGZHBF-MRXNPFEDSA-N -2 0 336.294 2.185 20 0 EEADRL CC[C@@]1(C(=O)[O-])CCCN(C(=O)CCc2ccc(C(=O)[O-])cc2)C1 ZINC001605135995 1351085917 /nfs/dbraw/zinc/08/59/17/1351085917.db2.gz UZBWKXGDBCFIHC-GOSISDBHSA-N -2 0 333.384 2.421 20 0 EEADRL CCCN(C)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001605305556 1351131201 /nfs/dbraw/zinc/13/12/01/1351131201.db2.gz UCMMHJLXWZZFSY-UHFFFAOYSA-N -2 0 349.412 2.427 20 0 EEADRL CCc1nc(OC)ccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC001605857538 1351238561 /nfs/dbraw/zinc/23/85/61/1351238561.db2.gz NIKANHJAXDKWAK-UHFFFAOYSA-N -2 0 342.398 2.213 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2ccnn2C2CCCC2)oc1C(=O)[O-] ZINC001607707849 1351543507 /nfs/dbraw/zinc/54/35/07/1351543507.db2.gz HSMLAINBGBWUSJ-UHFFFAOYSA-N -2 0 339.373 2.399 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cnn(CC2CC2)c1 ZINC001607927726 1351587523 /nfs/dbraw/zinc/58/75/23/1351587523.db2.gz MPLWJAHPEHYAIA-UHFFFAOYSA-N -2 0 341.414 2.162 20 0 EEADRL O=C(NCCOP(=O)([O-])[O-])Nc1ccc(Cl)c(Cl)c1 ZINC001202265191 1368905439 /nfs/dbraw/zinc/90/54/39/1368905439.db2.gz AFVOVCNMGJARBO-UHFFFAOYSA-N -2 0 329.076 2.224 20 0 EEADRL CN1Cc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)c2C1 ZINC001606259937 1404777606 /nfs/dbraw/zinc/77/76/06/1404777606.db2.gz UGBMHPAQSZJVQH-UHFFFAOYSA-N -2 0 338.410 2.193 20 0 EEADRL O=P([O-])([O-])OCCNc1ccc(-c2nc3ccccc3[nH]2)cn1 ZINC001168589913 790667909 /nfs/dbraw/zinc/66/79/09/790667909.db2.gz QMCFYRJCAGJCFC-UHFFFAOYSA-N -2 0 334.272 2.146 20 0 EEADRL CC[C@H](C)[C@@H](C)C(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000182933757 780071972 /nfs/dbraw/zinc/07/19/72/780071972.db2.gz RJTJFGBSUWLJLF-NWDGAFQWSA-N -2 0 330.388 2.021 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2ccc(C3CCC3)cc2)C1 ZINC000910181942 786514480 /nfs/dbraw/zinc/51/44/80/786514480.db2.gz FVZSLBYSOGDTNP-HUUCEWRRSA-N -2 0 331.368 2.344 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(C3CCC3)cc2)C1 ZINC000910181938 786514602 /nfs/dbraw/zinc/51/46/02/786514602.db2.gz FVZSLBYSOGDTNP-CABCVRRESA-N -2 0 331.368 2.344 20 0 EEADRL C[C@H](C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000910183811 786515654 /nfs/dbraw/zinc/51/56/54/786515654.db2.gz NISUYGYRIDXSNX-GAFUQQFSSA-N -2 0 339.775 2.220 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(C(F)F)cc2F)C1 ZINC000910184803 786516334 /nfs/dbraw/zinc/51/63/34/786516334.db2.gz WEXXUVGQWDRWSG-KWQFWETISA-N -2 0 345.273 2.153 20 0 EEADRL CC(C)(C)c1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])s1 ZINC000910184645 786516588 /nfs/dbraw/zinc/51/65/88/786516588.db2.gz QXMBTLGOTCDJKK-VHSXEESVSA-N -2 0 339.413 2.436 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000910186450 786518820 /nfs/dbraw/zinc/51/88/20/786518820.db2.gz RICJWYICOBNLKB-WRWORJQWSA-N -2 0 346.166 2.383 20 0 EEADRL C[C@H](C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000910192133 786523629 /nfs/dbraw/zinc/52/36/29/786523629.db2.gz NDBRKRLHWMFRRJ-NDMJEZRESA-N -2 0 339.775 2.220 20 0 EEADRL C[C@@H](CC[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000844784544 789371262 /nfs/dbraw/zinc/37/12/62/789371262.db2.gz GCDNINHODFOKCA-LURJTMIESA-N -2 0 327.736 2.007 20 0 EEADRL Cn1cnc2c1nc(Cl)nc2Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176238039 798390720 /nfs/dbraw/zinc/39/07/20/798390720.db2.gz LOQUZZTZQIHLHF-UHFFFAOYSA-N -2 0 347.718 2.157 20 0 EEADRL CN1Cc2c(cccc2Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)C1=O ZINC001176245389 798392881 /nfs/dbraw/zinc/39/28/81/798392881.db2.gz YTGPSCLAKMBURA-UHFFFAOYSA-N -2 0 326.308 2.412 20 0 EEADRL CN1C(=O)NCc2cccc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)c21 ZINC001176244160 798393230 /nfs/dbraw/zinc/39/32/30/798393230.db2.gz HEVQNYJAUDRDMP-UHFFFAOYSA-N -2 0 341.323 2.486 20 0 EEADRL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-][C@@H](c1ccnc(F)c1)C1CC1 ZINC001180176884 800286700 /nfs/dbraw/zinc/28/67/00/800286700.db2.gz QKNZQYMQMBFPJS-SECBINFHSA-N -2 0 338.232 2.143 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ncc2O)cc1C(=O)[O-] ZINC001184668653 802127044 /nfs/dbraw/zinc/12/70/44/802127044.db2.gz VOGOJUWZIGIZHL-UHFFFAOYSA-N -2 0 342.760 2.248 20 0 EEADRL Cc1ccccc1C(F)(F)C[N-]S(=O)(=O)[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC001465114835 804146532 /nfs/dbraw/zinc/14/65/32/804146532.db2.gz IFHBCAYZGMGRAB-WCQYABFASA-N -2 0 347.383 2.260 20 0 EEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C)c1C#N ZINC000326145065 971270355 /nfs/dbraw/zinc/27/03/55/971270355.db2.gz UWMQZUQGGPAOBZ-UHFFFAOYSA-N -2 0 346.364 2.374 20 0 EEADRL C[C@H](C(=O)[O-])N(C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C1CC1 ZINC001602819709 971620533 /nfs/dbraw/zinc/62/05/33/971620533.db2.gz FDDMEYBAAMKFRC-SECBINFHSA-N -2 0 349.774 2.309 20 0 EEADRL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ncccc1C(=O)[O-] ZINC000316105979 950866333 /nfs/dbraw/zinc/86/63/33/950866333.db2.gz SMAIWPWSKPTNQP-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL O=C([O-])[C@@H](C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)C1CCCC1 ZINC001594838219 954046742 /nfs/dbraw/zinc/04/67/42/954046742.db2.gz WBAWOKDRIWUGQA-GFCCVEGCSA-N -2 0 330.344 2.007 20 0 EEADRL C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])C1 ZINC000874966423 956229248 /nfs/dbraw/zinc/22/92/48/956229248.db2.gz WLNSGWVSLCHNTD-GOSISDBHSA-N -2 0 343.335 2.402 20 0 EEADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001603094830 972167078 /nfs/dbraw/zinc/16/70/78/972167078.db2.gz HWGYSFQSSHHMOR-NSHDSACASA-N -2 0 347.289 2.131 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccnn2CC2CCC2)cc1 ZINC001260222717 960712799 /nfs/dbraw/zinc/71/27/99/960712799.db2.gz BGHVHFMEXWNDOW-UHFFFAOYSA-N -2 0 335.385 2.182 20 0 EEADRL C[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])ccc1F)CC(F)(F)F ZINC000396944283 972954101 /nfs/dbraw/zinc/95/41/01/972954101.db2.gz WMXWYXIPSCMWHD-ZETCQYMHSA-N -2 0 343.298 2.391 20 0 EEADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)c1 ZINC001606533870 974053392 /nfs/dbraw/zinc/05/33/92/974053392.db2.gz LHPBJGRUQITHLL-UHFFFAOYSA-N -2 0 334.353 2.122 20 0 EEADRL CC(C)n1cnc(S(=O)(=O)[N-]c2c(F)ccc(F)c2C(=O)[O-])c1 ZINC001592145891 977006913 /nfs/dbraw/zinc/00/69/13/977006913.db2.gz YGHROMPIIRDEJC-UHFFFAOYSA-N -2 0 345.327 2.241 20 0 EEADRL C[C@](CNC(=O)Cc1ccccc1C(=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001592653702 978634671 /nfs/dbraw/zinc/63/46/71/978634671.db2.gz OHAKPWCCGRGBHU-LJQANCHMSA-N -2 0 341.363 2.086 20 0 EEADRL C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1)CC(F)F ZINC001592716442 979217349 /nfs/dbraw/zinc/21/73/49/979217349.db2.gz WFYKJQDCMKRWPI-RXMQYKEDSA-N -2 0 331.724 2.201 20 0 EEADRL CCC(CC)(CNC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)C(=O)[O-] ZINC001595068590 979332275 /nfs/dbraw/zinc/33/22/75/979332275.db2.gz BVKRMZWQHVIJMW-UHFFFAOYSA-N -2 0 336.388 2.417 20 0 EEADRL CC[C@@H](C)CO[N-]C(=O)C(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC001594964527 982718638 /nfs/dbraw/zinc/71/86/38/982718638.db2.gz KSCXFZVMFODQDE-SECBINFHSA-N -2 0 340.401 2.139 20 0 EEADRL CCOC(=O)C(C)(C)ONC(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001596512100 984284039 /nfs/dbraw/zinc/28/40/39/984284039.db2.gz GCYUWQWFZPFRIJ-UHFFFAOYSA-N -2 0 344.389 2.458 20 0 EEADRL C[C@H](C(=O)[O-])c1ccc(NC(=O)C(C)(C)SCC(=O)[O-])cc1 ZINC001589502729 987105572 /nfs/dbraw/zinc/10/55/72/987105572.db2.gz IZODZNQNJCADCE-VIFPVBQESA-N -2 0 325.386 2.410 20 0 EEADRL CC[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)CC1 ZINC001597355379 987501584 /nfs/dbraw/zinc/50/15/84/987501584.db2.gz CSPPBFKKQRBLOM-MGCOHNPYSA-N -2 0 345.442 2.468 20 0 EEADRL CC[C@H]1CC[C@H](C(=O)N2C[C@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)CC1 ZINC001597356319 987505345 /nfs/dbraw/zinc/50/53/45/987505345.db2.gz VIXKIANXQFOINT-VVSKCKASSA-N -2 0 337.416 2.227 20 0 EEADRL CC(C)(C(=O)[O-])c1ccc(S(=O)(=O)[N-]c2cncc(F)c2)cc1 ZINC001589642768 987566664 /nfs/dbraw/zinc/56/66/64/987566664.db2.gz CGYNWMWWXZTHRZ-UHFFFAOYSA-N -2 0 338.360 2.384 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)cnc1OC ZINC001597786216 989309365 /nfs/dbraw/zinc/30/93/65/989309365.db2.gz ZVUXQRQVBKOEJT-UHFFFAOYSA-N -2 0 340.357 2.053 20 0 EEADRL CCn1ncc(C)c1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001597957172 989969263 /nfs/dbraw/zinc/96/92/63/989969263.db2.gz OCTSKPAANBCKSV-UHFFFAOYSA-N -2 0 343.792 2.364 20 0 EEADRL CC(C)CCc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)o1 ZINC001591270401 992188756 /nfs/dbraw/zinc/18/87/56/992188756.db2.gz QHPOKWZDOBRCEA-UHFFFAOYSA-N -2 0 345.402 2.219 20 0 EEADRL CC(C)C[C@H](CNC(=O)N1CCC[C@@H](CCC(=O)[O-])C1)CC(=O)[O-] ZINC001591448445 992551794 /nfs/dbraw/zinc/55/17/94/992551794.db2.gz KHOLEZDWQHBPQZ-KBPBESRZSA-N -2 0 342.436 2.410 20 0 EEADRL Cc1[n-]n(-c2ccc(F)cc2Br)c(=O)c1CC(=O)[O-] ZINC001594113255 998222244 /nfs/dbraw/zinc/22/22/44/998222244.db2.gz GVOHFTDCQHSKSL-QMMMGPOBSA-N -2 0 329.125 2.402 20 0 EEADRL C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cc(Br)c(F)cc1[O-] ZINC001594159135 998591700 /nfs/dbraw/zinc/59/17/00/998591700.db2.gz PPZNSEYKYNDDQM-NKWVEPMBSA-N -2 0 346.152 2.229 20 0 EEADRL C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@@H]2N1C(=O)c1cccc(Cl)c1[O-] ZINC001594336131 999290303 /nfs/dbraw/zinc/29/03/03/999290303.db2.gz HMHAZEDWKVCJKS-YJRXYDGGSA-N -2 0 339.775 2.281 20 0 EEADRL CSc1nc(CNC(=O)c2cc(Cl)ccc2O)cc(=O)[nH]1 ZINC001452469427 1105502011 /nfs/dbraw/zinc/50/20/11/1105502011.db2.gz GICHOEDXKKFALT-UHFFFAOYSA-N -2 0 325.777 2.193 20 0 EEADRL CN(Cc1nc(=O)o[n-]1)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC001469449526 1110490896 /nfs/dbraw/zinc/49/08/96/1110490896.db2.gz HBQDIOGWKOUEAS-UHFFFAOYSA-N -2 0 333.731 2.147 20 0 EEADRL O=C([O-])[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)C1CCCC1 ZINC001549304335 1121197068 /nfs/dbraw/zinc/19/70/68/1121197068.db2.gz RNXMZYPCSMKIAF-XHSDSOJGSA-N -2 0 345.395 2.204 20 0 EEADRL Cc1nc(N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)sc1C(=O)[O-] ZINC001550695863 1122033318 /nfs/dbraw/zinc/03/33/18/1122033318.db2.gz FZEAYASYWNAREN-VXGBXAGGSA-N -2 0 332.381 2.454 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3O)c1 ZINC000368654108 166098770 /nfs/dbraw/zinc/09/87/70/166098770.db2.gz WBCWTOXNCQNGBU-AWEZNQCLSA-N -2 0 349.364 2.002 20 0 EEADRL Cc1cc(S(=O)(=O)NC[C@@H]2CCC(F)(F)C2)sc1C(=O)[O-] ZINC000280389498 269358615 /nfs/dbraw/zinc/35/86/15/269358615.db2.gz MYZQETZPVINEDY-MRVPVSSYSA-N -2 0 339.385 2.468 20 0 EEADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)[C@@H](C)C(=O)[O-])n2)cc1 ZINC000262908251 280586170 /nfs/dbraw/zinc/58/61/70/280586170.db2.gz ROBNHTFTOATBAA-NSHDSACASA-N -2 0 331.372 2.246 20 0 EEADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)c1 ZINC000436995697 315021582 /nfs/dbraw/zinc/02/15/82/315021582.db2.gz ROQLDKHWLJGCEB-UHFFFAOYSA-N -2 0 347.270 2.309 20 0 EEADRL CC(C)(C)c1ncc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cn1 ZINC000518794027 316746227 /nfs/dbraw/zinc/74/62/27/316746227.db2.gz QMPBIZXCAFZHTM-UHFFFAOYSA-N -2 0 341.414 2.335 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])c1 ZINC000046171466 462656597 /nfs/dbraw/zinc/65/65/97/462656597.db2.gz ZXONGXSNRZQFPJ-UHFFFAOYSA-N -2 0 339.300 2.023 20 0 EEADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000013058944 462883891 /nfs/dbraw/zinc/88/38/91/462883891.db2.gz KGXCOUOFXSTQEA-UHFFFAOYSA-N -2 0 327.308 2.393 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000014097373 462910144 /nfs/dbraw/zinc/91/01/44/462910144.db2.gz SDXLXJPRVKXHPF-UHFFFAOYSA-N -3 0 341.366 2.254 20 0 EEADRL COc1cc(/C=C/c2nc(C(=O)[O-])ccc2C#N)cc([N+](=O)[O-])c1[O-] ZINC000032071179 463364142 /nfs/dbraw/zinc/36/41/42/463364142.db2.gz MNXMLYASOBLYQS-DUXPYHPUSA-N -2 0 341.279 2.444 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)[O-])c1 ZINC000044576961 463684250 /nfs/dbraw/zinc/68/42/50/463684250.db2.gz SVXDZHMDKIHHMV-UHFFFAOYSA-N -2 0 336.325 2.402 20 0 EEADRL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000181772150 464527700 /nfs/dbraw/zinc/52/77/00/464527700.db2.gz HIOIVOQEHKCNND-SECBINFHSA-N -2 0 337.401 2.406 20 0 EEADRL O=C([O-])[C@@H](CC1CCCCC1)NS(=O)(=O)c1cncc(Cl)c1 ZINC000554666533 468436182 /nfs/dbraw/zinc/43/61/82/468436182.db2.gz RQDGJYLGJNDWCI-CYBMUJFWSA-N -2 0 346.836 2.437 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc2c1OCO2 ZINC000337752300 465557786 /nfs/dbraw/zinc/55/77/86/465557786.db2.gz JTNYYMUBHINUTH-UHFFFAOYSA-N -2 0 335.337 2.223 20 0 EEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1O ZINC000340224252 465897968 /nfs/dbraw/zinc/89/79/68/465897968.db2.gz YTKMCJJPHPAXRR-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c1 ZINC000338220792 465913221 /nfs/dbraw/zinc/91/32/21/465913221.db2.gz HOLUEZRNZQRCCK-UHFFFAOYSA-N -2 0 327.337 2.102 20 0 EEADRL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000320086993 466603528 /nfs/dbraw/zinc/60/35/28/466603528.db2.gz OWUHLZIBMBLTIQ-UHFFFAOYSA-N -2 0 342.348 2.062 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-n2cccn2)cc1 ZINC000324861520 466651068 /nfs/dbraw/zinc/65/10/68/466651068.db2.gz HKUNXEGNCJBGJN-UHFFFAOYSA-N -2 0 347.352 2.273 20 0 EEADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)cc1 ZINC000761936542 577691907 /nfs/dbraw/zinc/69/19/07/577691907.db2.gz GVCGFQZBZQSZLY-UHFFFAOYSA-N -2 0 344.751 2.302 20 0 EEADRL O=C([O-])c1ccc(NS(=O)(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC000740155821 578083184 /nfs/dbraw/zinc/08/31/84/578083184.db2.gz VKAROJASSUGUJQ-UHFFFAOYSA-N -2 0 335.337 2.025 20 0 EEADRL CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000820398343 598142121 /nfs/dbraw/zinc/14/21/21/598142121.db2.gz OQASQGCEKRLDPL-UHFFFAOYSA-N -2 0 349.364 2.136 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)o1 ZINC000392102251 599736336 /nfs/dbraw/zinc/73/63/36/599736336.db2.gz PYRGHCPPIBZXMW-UHFFFAOYSA-N -2 0 345.336 2.236 20 0 EEADRL CCOc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)ccc1OC ZINC000319541508 599736804 /nfs/dbraw/zinc/73/68/04/599736804.db2.gz CFPHTVHBRZBMLO-UHFFFAOYSA-N -2 0 341.341 2.186 20 0 EEADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc1 ZINC000035296023 600243674 /nfs/dbraw/zinc/24/36/74/600243674.db2.gz PFRMVEPAASSGLF-UHFFFAOYSA-N -2 0 326.761 2.163 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)s1 ZINC000321487435 600246475 /nfs/dbraw/zinc/24/64/75/600246475.db2.gz CGNJCXXENIJTLX-UHFFFAOYSA-N -2 0 349.393 2.433 20 0 EEADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2n[nH]c3ccc(F)cc32)cc1 ZINC000833267612 601202345 /nfs/dbraw/zinc/20/23/45/601202345.db2.gz PNFTUHUPUVLCHW-UHFFFAOYSA-N -2 0 349.343 2.130 20 0 EEADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000832011121 601231885 /nfs/dbraw/zinc/23/18/85/601231885.db2.gz RGCVQFJWTSCQCA-UHFFFAOYSA-N -2 0 329.305 2.235 20 0 EEADRL O=C([O-])CCc1nnc([N-]C(=O)c2occc2Br)s1 ZINC000833242610 601268880 /nfs/dbraw/zinc/26/88/80/601268880.db2.gz SVEAIFLYHBLUFX-UHFFFAOYSA-N -2 0 346.162 2.163 20 0 EEADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)c1 ZINC000826925039 602113820 /nfs/dbraw/zinc/11/38/20/602113820.db2.gz XPEVGEMTTZGTQB-UHFFFAOYSA-N -2 0 329.403 2.100 20 0 EEADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(C3CC3)[nH]n2)c1C ZINC000832868120 602306915 /nfs/dbraw/zinc/30/69/15/602306915.db2.gz FULPTNCFCWOEDJ-UHFFFAOYSA-N -2 0 335.385 2.403 20 0 EEADRL CCC(CC)CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000828859110 602385009 /nfs/dbraw/zinc/38/50/09/602385009.db2.gz PCSVFGYPEMMPRQ-UHFFFAOYSA-N -2 0 327.402 2.157 20 0 EEADRL CCc1noc(C)c1[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000833679229 604504916 /nfs/dbraw/zinc/50/49/16/604504916.db2.gz NIERSSRRNHZFIB-UHFFFAOYSA-N -2 0 328.346 2.254 20 0 EEADRL CC1(C)CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000833560435 604604749 /nfs/dbraw/zinc/60/47/49/604604749.db2.gz FDURFAOJPXUBCW-VIFPVBQESA-N -2 0 345.442 2.468 20 0 EEADRL O=C([O-])C[C@@H]1CCCN1C(=O)c1cccc(Br)c1[O-] ZINC000833212394 604669955 /nfs/dbraw/zinc/66/99/55/604669955.db2.gz XZUULGZUNHJNMP-QMMMGPOBSA-N -2 0 328.162 2.234 20 0 EEADRL C[C@]1([N-]S(=O)(=O)c2c(F)cccc2F)CCCC[C@@H]1C(=O)[O-] ZINC000833570381 604809121 /nfs/dbraw/zinc/80/91/21/604809121.db2.gz SEIAIPSYDNPXRY-OTYXRUKQSA-N -2 0 333.356 2.277 20 0 EEADRL CC1(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)CCC1 ZINC000833552515 605118872 /nfs/dbraw/zinc/11/88/72/605118872.db2.gz CKBZBAUYIWQOLQ-UHFFFAOYSA-N -2 0 331.777 2.033 20 0 EEADRL C[C@@H](NS(=O)(=O)c1cnc(-c2ccccc2)s1)[C@H](C)C(=O)[O-] ZINC000926479011 679088263 /nfs/dbraw/zinc/08/82/63/679088263.db2.gz GSNPJBMHDLTIDQ-VHSXEESVSA-N -2 0 340.426 2.198 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2cc3ccccc3cc2C(=O)[O-])cn1 ZINC000320693957 687239964 /nfs/dbraw/zinc/23/99/64/687239964.db2.gz QUCYHRMDFHABFB-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC000863961828 1197937606 /nfs/dbraw/zinc/93/76/06/1197937606.db2.gz BLPSKENMUSQKEB-MLGOLLRUSA-N -2 0 339.413 2.085 20 0 EEADRL CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000863962022 1197938998 /nfs/dbraw/zinc/93/89/98/1197938998.db2.gz DNCXRZVQGFXMBZ-QWHCGFSZSA-N -2 0 341.429 2.331 20 0 EEADRL O=C(Cn1c(=O)c2ccccc2[n-]c1=S)[N-]OC1CCCCC1 ZINC000779490454 1210395383 /nfs/dbraw/zinc/39/53/83/1210395383.db2.gz ZZGYDHOJDNJQDD-UHFFFAOYSA-N -2 0 333.413 2.066 20 0 EEADRL Cc1csc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC001192686734 1282104114 /nfs/dbraw/zinc/10/41/14/1282104114.db2.gz XTCUNHRQQOTHRA-UHFFFAOYSA-N -2 0 327.383 2.321 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1nccc2cnccc21 ZINC001198740159 1285311942 /nfs/dbraw/zinc/31/19/42/1285311942.db2.gz ADBRIBJMVRFODA-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL CCOC(=O)N1CCC[C@H](Oc2ccc(OP(=O)([O-])[O-])cc2)C1 ZINC001234337677 1304885665 /nfs/dbraw/zinc/88/56/65/1304885665.db2.gz JLNSRGVCGYTUAV-ZDUSSCGKSA-N -2 0 345.288 2.158 20 0 EEADRL Cc1cc(C)cc(S(=O)(=O)Nc2ccc(S(=O)(=O)[O-])cc2)c1 ZINC001259522957 1319610081 /nfs/dbraw/zinc/61/00/81/1319610081.db2.gz DIQICDLRFRFUBI-UHFFFAOYSA-N -2 0 341.410 2.351 20 0 EEADRL Cn1ccc(S(=O)(=O)[N-]c2ccc3[n-]c(=S)sc3c2)n1 ZINC001259943942 1319749468 /nfs/dbraw/zinc/74/94/68/1319749468.db2.gz WTLNSVLUEJCDHV-UHFFFAOYSA-N -2 0 326.428 2.119 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc(C)n1 ZINC001260209630 1319833007 /nfs/dbraw/zinc/83/30/07/1319833007.db2.gz BFGRQXBUTLYVFK-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL COc1ccc(Nc2cccc(CC(=O)[O-])c2)c(S(=O)(=O)[O-])c1 ZINC001210073291 1325148021 /nfs/dbraw/zinc/14/80/21/1325148021.db2.gz LHAMWVZIKVVDGT-UHFFFAOYSA-N -2 0 337.353 2.313 20 0 EEADRL O=C([O-])c1c[nH]c2cc(NC(=O)c3ccc4oc(=O)nc-4[n-]3)ccc21 ZINC001608514364 1351707853 /nfs/dbraw/zinc/70/78/53/1351707853.db2.gz UHKQOAPFQPTJSG-UHFFFAOYSA-N -2 0 338.279 2.360 20 0 EEADRL O=C([O-])c1cncc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)c1 ZINC001602543699 1350542652 /nfs/dbraw/zinc/54/26/52/1350542652.db2.gz QCTKLDZDEUPAHT-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])CCCc1nc(COC(=O)c2cc([S-])ccc2F)no1 ZINC001608719311 1351748755 /nfs/dbraw/zinc/74/87/55/1351748755.db2.gz LRSITGZKHWVFTK-UHFFFAOYSA-N -2 0 340.332 2.262 20 0 EEADRL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2noc3ccccc32)c1 ZINC001608787642 1351763618 /nfs/dbraw/zinc/76/36/18/1351763618.db2.gz BECXSYNWDVKEJM-UHFFFAOYSA-N -2 0 332.337 2.256 20 0 EEADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)/C=C\c2ccccc2)cc1 ZINC001608875499 1351784226 /nfs/dbraw/zinc/78/42/26/1351784226.db2.gz UFUXEQWZQVRNNS-KHPPLWFESA-N -2 0 331.349 2.115 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC23CCC3)cc1Cl ZINC001608910997 1351791913 /nfs/dbraw/zinc/79/19/13/1351791913.db2.gz SQVSIOSMBUKTOB-JTQLQIEISA-N -2 0 343.788 2.033 20 0 EEADRL Cc1c(S(=O)(=O)[N-]c2ccc(C(C)C)cc2C(=O)[O-])cnn1C ZINC001610427679 1352221089 /nfs/dbraw/zinc/22/10/89/1352221089.db2.gz PESIOJOTCOQILZ-UHFFFAOYSA-N -2 0 337.401 2.351 20 0 EEADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cncc(Cl)n1 ZINC001610417540 1352219556 /nfs/dbraw/zinc/21/95/56/1352219556.db2.gz BPUQOKCMTABCTC-UHFFFAOYSA-N -2 0 345.739 2.077 20 0 EEADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1noc(C(C)C)n1 ZINC001610465334 1352227087 /nfs/dbraw/zinc/22/70/87/1352227087.db2.gz KWZSCOGNXZEBNQ-UHFFFAOYSA-N -2 0 343.336 2.140 20 0 EEADRL Cc1ccccc1-n1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001610528456 1352239259 /nfs/dbraw/zinc/23/92/59/1352239259.db2.gz SNXRRUQEOSDADN-UHFFFAOYSA-N -2 0 347.352 2.273 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccnn1C1CCCC1 ZINC001610579248 1352248568 /nfs/dbraw/zinc/24/85/68/1352248568.db2.gz OPIBGWIZLBGMGA-UHFFFAOYSA-N -2 0 339.373 2.399 20 0 EEADRL O=C([O-])c1cccc2[nH]c([N-]S(=O)(=O)c3ccccc3F)nc21 ZINC001610850101 1352285477 /nfs/dbraw/zinc/28/54/77/1352285477.db2.gz LNLBMJKUUDNVGL-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1noc(C(C)C)n1 ZINC001600020714 1349956700 /nfs/dbraw/zinc/95/67/00/1349956700.db2.gz MUYAANGKPZOIOY-UHFFFAOYSA-N -2 0 343.336 2.140 20 0 EEADRL Cc1oc(C(=O)[O-])cc1C(=O)[N-]S(=O)(=O)c1cc(C)ccc1C ZINC001600390497 1350037760 /nfs/dbraw/zinc/03/77/60/1350037760.db2.gz DIYNYUIILKMLOS-UHFFFAOYSA-N -2 0 337.353 2.022 20 0 EEADRL Cc1csc([N-]S(=O)(=O)c2cccc3c2OCC3)c1C(=O)[O-] ZINC001600662908 1350112912 /nfs/dbraw/zinc/11/29/12/1350112912.db2.gz PPOMHDUCHAIBBW-UHFFFAOYSA-N -2 0 339.394 2.490 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)cc1C(=O)[O-] ZINC001600855576 1350153450 /nfs/dbraw/zinc/15/34/50/1350153450.db2.gz QAQDLEOZSIDMGZ-UHFFFAOYSA-N -2 0 327.280 2.050 20 0 EEADRL O=C([O-])c1cc(NC(=O)NC[C@H](C(=O)[O-])C2CCC2)c(F)cc1F ZINC001601450286 1350285652 /nfs/dbraw/zinc/28/56/52/1350285652.db2.gz FVHOYFHFCFDXKL-VIFPVBQESA-N -2 0 342.298 2.285 20 0 EEADRL O=C([O-])c1cc(Cl)c(Cl)c(NC(=O)C(=O)[N-]OCC2CC2)c1 ZINC001601563021 1350307367 /nfs/dbraw/zinc/30/73/67/1350307367.db2.gz FGZKBBVHEDTHFM-UHFFFAOYSA-N -2 0 347.154 2.088 20 0 EEADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2nc3cc(F)ccc3[nH]2)cc1 ZINC001602132302 1350446600 /nfs/dbraw/zinc/44/66/00/1350446600.db2.gz RUBOWVJJJVTRNQ-UHFFFAOYSA-N -2 0 349.343 2.130 20 0 EEADRL O=C([O-])[C@H]1C[C@@H](S(=O)(=O)[N-][C@@H](C2CCCCC2)C(F)(F)F)C1 ZINC001602220961 1350469754 /nfs/dbraw/zinc/46/97/54/1350469754.db2.gz LBKSYALHQCPCLE-AXFHLTTASA-N -2 0 343.367 2.280 20 0 EEADRL O=C([O-])c1cc(Cl)cc([N-]S(=O)(=O)c2cncc(F)c2)c1O ZINC001602263669 1350480954 /nfs/dbraw/zinc/48/09/54/1350480954.db2.gz JKTZKLBVPRBTTI-UHFFFAOYSA-N -2 0 346.723 2.079 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc3c(n2)CCCC3)c1 ZINC001602452825 1350522325 /nfs/dbraw/zinc/52/23/25/1350522325.db2.gz YCBDJXCIHYMEEW-UHFFFAOYSA-N -2 0 332.381 2.459 20 0 EEADRL O=C([O-])c1ccccc1CC(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC001602465575 1350525350 /nfs/dbraw/zinc/52/53/50/1350525350.db2.gz YTPDOSIPNLTSFN-QLFBSQMISA-N -2 0 331.368 2.029 20 0 EEADRL C[C@@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])[C@H](C(=O)[O-])C1 ZINC001604748920 1350996620 /nfs/dbraw/zinc/99/66/20/1350996620.db2.gz JJOSUWMPTKWARW-MFKMUULPSA-N -2 0 347.346 2.042 20 0 EEADRL CC[C@@H](CNC(=O)c1cc(Br)cc(F)c1[O-])C(=O)[O-] ZINC001605035832 1351064454 /nfs/dbraw/zinc/06/44/54/1351064454.db2.gz UAYMOHUEJRUJAN-LURJTMIESA-N -2 0 334.141 2.134 20 0 EEADRL CCC[C@](C)(NC(=O)c1nn(-c2cc(C)ccc2F)cc1[O-])C(=O)[O-] ZINC001605199880 1351101378 /nfs/dbraw/zinc/10/13/78/1351101378.db2.gz IWOUBOYJVCFOLJ-KRWDZBQOSA-N -2 0 349.362 2.399 20 0 EEADRL CCc1nn(C)cc1S(=O)(=O)[N-]c1c(CC)cccc1C(=O)[O-] ZINC001605826817 1351230421 /nfs/dbraw/zinc/23/04/21/1351230421.db2.gz AMHXMFSBTPTMDV-UHFFFAOYSA-N -2 0 337.401 2.044 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC2=O ZINC001605885529 1351246633 /nfs/dbraw/zinc/24/66/33/1351246633.db2.gz VIUHYEYZYCRZJC-UHFFFAOYSA-N -2 0 349.364 2.470 20 0 EEADRL COc1ccc2[nH]nc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)c2c1 ZINC001607293503 1351466714 /nfs/dbraw/zinc/46/67/14/1351466714.db2.gz YLVAMXSNRCSJHC-UHFFFAOYSA-N -2 0 347.352 2.071 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)NCCCCCCC(=O)[O-] ZINC001607517864 1351509748 /nfs/dbraw/zinc/50/97/48/1351509748.db2.gz PFRYWSDCXCFSPN-UHFFFAOYSA-N -2 0 343.401 2.007 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1c2c(nn1C)CCCC2 ZINC001607599455 1351522007 /nfs/dbraw/zinc/52/20/07/1351522007.db2.gz UFNHSQZRYXOMKN-UHFFFAOYSA-N -2 0 349.412 2.106 20 0 EEADRL Cc1cccc(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)c1C ZINC001607839469 1351569000 /nfs/dbraw/zinc/56/90/00/1351569000.db2.gz LCJJCIBJMSPZMA-UHFFFAOYSA-N -2 0 347.392 2.261 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2nc(C(C)C)cs2)cc1C(=O)[O-] ZINC001607984337 1351597849 /nfs/dbraw/zinc/59/78/49/1351597849.db2.gz CXKNCBZYGISMOQ-UHFFFAOYSA-N -2 0 341.414 2.469 20 0 EEADRL Cc1oc(C(=O)[O-])cc1C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC001608033730 1351610418 /nfs/dbraw/zinc/61/04/18/1351610418.db2.gz LUCYKSKLCRWURT-JTQLQIEISA-N -2 0 337.353 2.107 20 0 EEADRL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C(=O)CC2CCCC2)c1F ZINC001608294472 1351665619 /nfs/dbraw/zinc/66/56/19/1351665619.db2.gz UTDHDJTZPNEJKK-UHFFFAOYSA-N -2 0 347.339 2.048 20 0 EEADRL O=C([O-])c1c(Cl)cccc1S(=O)(=O)[N-]C(=O)CCC1CC1 ZINC001608300026 1351666589 /nfs/dbraw/zinc/66/65/89/1351666589.db2.gz BTRNVCNDBMVUNK-UHFFFAOYSA-N -2 0 331.777 2.033 20 0 EEADRL CCn1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001193964277 1368483681 /nfs/dbraw/zinc/48/36/81/1368483681.db2.gz GBOATPSITOXANQ-UHFFFAOYSA-N -2 0 347.755 2.195 20 0 EEADRL Cc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)o1 ZINC001193964283 1368483894 /nfs/dbraw/zinc/48/38/94/1368483894.db2.gz GSERUHVPGAMGBE-UHFFFAOYSA-N -2 0 334.712 2.275 20 0 EEADRL COC(=O)c1cccc(C)c1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198779589 1368646016 /nfs/dbraw/zinc/64/60/16/1368646016.db2.gz RZHCWLGAJFEWSK-UHFFFAOYSA-N -2 0 349.364 2.281 20 0 EEADRL C[C@H]1CCC[C@H](CC(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000828240521 761234164 /nfs/dbraw/zinc/23/41/64/761234164.db2.gz XBZMJNWBDNKPPO-UWVGGRQHSA-N -2 0 345.442 2.468 20 0 EEADRL O=P([O-])([O-])OCCNc1nc2ccccc2nc1C(F)(F)F ZINC001168586984 790536879 /nfs/dbraw/zinc/53/68/79/790536879.db2.gz NGBRHNGUTKGJRH-UHFFFAOYSA-N -2 0 337.194 2.170 20 0 EEADRL O=P([O-])([O-])OCCNc1noc2ccc(Br)cc21 ZINC001168591913 790783129 /nfs/dbraw/zinc/78/31/29/790783129.db2.gz ILOCNTZYCKYMKN-UHFFFAOYSA-N -2 0 337.066 2.112 20 0 EEADRL CC[C@H](C)N(CC(=O)[O-])C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000909311495 786172979 /nfs/dbraw/zinc/17/29/79/786172979.db2.gz LIYBMBREMOFHSI-JTQLQIEISA-N -2 0 335.335 2.042 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000910185683 786517745 /nfs/dbraw/zinc/51/77/45/786517745.db2.gz JNHPCRVHVQJEIR-ONGXEEELSA-N -2 0 345.273 2.095 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2ccc3sccc3c2)C1 ZINC000910192414 786524625 /nfs/dbraw/zinc/52/46/25/786524625.db2.gz PLXFBGVPRFSMBN-VXGBXAGGSA-N -2 0 333.365 2.291 20 0 EEADRL CN1Cc2cc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)ccc2C1=O ZINC001176241887 798392429 /nfs/dbraw/zinc/39/24/29/798392429.db2.gz CLYVGCDCWFXQCO-UHFFFAOYSA-N -2 0 326.308 2.412 20 0 EEADRL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC000863955806 939244299 /nfs/dbraw/zinc/24/42/99/939244299.db2.gz YSJJOXVXLCZEOI-FZMZJTMJSA-N -2 0 339.413 2.085 20 0 EEADRL Cc1cc(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)cc(C(=O)[O-])c1 ZINC000357078177 971529900 /nfs/dbraw/zinc/52/99/00/971529900.db2.gz BQEFXRZIWKGLAG-UHFFFAOYSA-N -2 0 349.364 2.121 20 0 EEADRL Cc1n[nH]c(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000036736451 957233520 /nfs/dbraw/zinc/23/35/20/957233520.db2.gz KZQVMEHJFKRBTG-UHFFFAOYSA-N -2 0 329.765 2.179 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cl)n2)c(F)c1 ZINC000149701844 959022271 /nfs/dbraw/zinc/02/22/71/959022271.db2.gz SQGJGLCACCKWHH-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL C[C@]1(C(=O)[O-])[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccccc1CC(=O)[O-] ZINC001594247788 959595353 /nfs/dbraw/zinc/59/53/53/959595353.db2.gz WSLHACJQGLDCME-XHUUTOEUSA-N -2 0 329.352 2.165 20 0 EEADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)NC[C@H](C(=O)[O-])C(C)C)n2)c1 ZINC001574369120 961066659 /nfs/dbraw/zinc/06/66/59/961066659.db2.gz OXMNKGWGBISCIN-NSHDSACASA-N -2 0 349.362 2.112 20 0 EEADRL CC[C@H](C)C[C@@H](NS(=O)(=O)c1cccc(Cl)c1[O-])C(=O)[O-] ZINC001571229109 962614195 /nfs/dbraw/zinc/61/41/95/962614195.db2.gz UOROVUSGDMHZBF-WCBMZHEXSA-N -2 0 335.809 2.213 20 0 EEADRL CC(C)n1cnc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])n1 ZINC001592145683 977004137 /nfs/dbraw/zinc/00/41/37/977004137.db2.gz RPGHSTDXNYULTN-UHFFFAOYSA-N -2 0 344.780 2.011 20 0 EEADRL C[C@@H](CC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)CC(C)(C)C ZINC001592259896 977500049 /nfs/dbraw/zinc/50/00/49/977500049.db2.gz SHPYYHPOCLKZJB-VIFPVBQESA-N -2 0 331.390 2.245 20 0 EEADRL Cc1csc(C)c1S(=O)(=O)[N-]c1nc(CC(=O)[O-])cs1 ZINC000725107413 978253201 /nfs/dbraw/zinc/25/32/01/978253201.db2.gz JVKJCXUPIBHSJD-UHFFFAOYSA-N -2 0 332.428 2.249 20 0 EEADRL CC[C@@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001595436155 981068122 /nfs/dbraw/zinc/06/81/22/981068122.db2.gz PGHNHBACUHOODP-RKDXNWHRSA-N -2 0 331.415 2.078 20 0 EEADRL CCC[C@@H]1CCC[C@@H]1C(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001595621557 981700949 /nfs/dbraw/zinc/70/09/49/981700949.db2.gz KURSQXZPVXYVDT-SOUMLHEOSA-N -2 0 337.416 2.227 20 0 EEADRL CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]OCCCC(=O)[O-] ZINC001594945182 982631118 /nfs/dbraw/zinc/63/11/18/982631118.db2.gz OIQMNSRQNFCBHO-RYUDHWBXSA-N -2 0 346.424 2.229 20 0 EEADRL CCCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n(C)n1 ZINC001596059003 983366962 /nfs/dbraw/zinc/36/69/62/983366962.db2.gz UDIUUZHGHMDDAY-UHFFFAOYSA-N -2 0 341.364 2.011 20 0 EEADRL CCCn1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC001596125850 983462810 /nfs/dbraw/zinc/46/28/10/983462810.db2.gz IVMPPJHWHMOFLS-UHFFFAOYSA-N -2 0 341.364 2.240 20 0 EEADRL CCOC(=O)c1ccsc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001596732254 985010120 /nfs/dbraw/zinc/01/01/20/985010120.db2.gz FEFCIDBXWUEKEW-UHFFFAOYSA-N -2 0 345.354 2.017 20 0 EEADRL CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cn2C)cc1C ZINC001589290982 986032717 /nfs/dbraw/zinc/03/27/17/986032717.db2.gz JUUDLTBRMJCEDF-UHFFFAOYSA-N -2 0 336.369 2.035 20 0 EEADRL CCc1[nH]c(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c(C)c1C(=O)[O-] ZINC001597360858 987515592 /nfs/dbraw/zinc/51/55/92/987515592.db2.gz HUXWFYLPAAGQMO-NSHDSACASA-N -2 0 336.388 2.301 20 0 EEADRL CCc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC001597579424 988379381 /nfs/dbraw/zinc/37/93/81/988379381.db2.gz XOKZKSDATJZJBK-UHFFFAOYSA-N -2 0 343.792 2.135 20 0 EEADRL CCc1ccccc1NC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001597615215 988533202 /nfs/dbraw/zinc/53/32/02/988533202.db2.gz WIAWLJOCBHCXAP-YNAXMUEKSA-N -2 0 346.383 2.278 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c[nH]nc21 ZINC001597791810 989326589 /nfs/dbraw/zinc/32/65/89/989326589.db2.gz UMKRMRBRSKVFPH-UHFFFAOYSA-N -2 0 335.341 2.217 20 0 EEADRL CN(C(=O)c1s[n-]c(=O)c1Cl)[C@H](C(=O)[O-])c1ccccc1 ZINC001598103521 990473197 /nfs/dbraw/zinc/47/31/97/990473197.db2.gz KZBPSRRHMBLXMF-VIFPVBQESA-N -2 0 326.761 2.400 20 0 EEADRL COc1ccccc1S(=O)(=O)C=C([O-])c1ccc(C(=O)[O-])cc1 ZINC001599717084 991474812 /nfs/dbraw/zinc/47/48/12/991474812.db2.gz AIUCQOWPVBXKHP-UHFFFAOYSA-N -2 0 334.349 2.050 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2noc3ccccc32)cc1C(=O)[O-] ZINC001599617789 994039621 /nfs/dbraw/zinc/03/96/21/994039621.db2.gz DIGLEUJNRDPUCM-UHFFFAOYSA-N -2 0 348.336 2.335 20 0 EEADRL Cc1[n-]n([C@@H](C)CCc2ccc3c(c2)OCO3)c(=O)c1CC(=O)[O-] ZINC001594115085 998247385 /nfs/dbraw/zinc/24/73/85/998247385.db2.gz YENLTTUQTABGNQ-GXFFZTMASA-N -2 0 332.356 2.045 20 0 EEADRL COc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccccc1F ZINC001599377627 998513717 /nfs/dbraw/zinc/51/37/17/998513717.db2.gz HOGXBGIAMUDQKW-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL CO[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cn1)C1CCCCC1 ZINC001599060747 999263495 /nfs/dbraw/zinc/26/34/95/999263495.db2.gz WQRYCGIUXAHRAL-CYBMUJFWSA-N -2 0 342.417 2.117 20 0 EEADRL O=C(NCc1nc([O-])cc(=O)[nH]1)c1ccccc1Oc1cccnc1 ZINC001470582992 1110508492 /nfs/dbraw/zinc/50/84/92/1110508492.db2.gz KTCHUTRUKHKLNE-UHFFFAOYSA-N -2 0 338.323 2.005 20 0 EEADRL CC(C)Cn1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cn1 ZINC000266651316 248398328 /nfs/dbraw/zinc/39/83/28/248398328.db2.gz YNBRXULZUXBNBK-UHFFFAOYSA-N -2 0 329.403 2.100 20 0 EEADRL Cc1cccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1C(=O)[O-] ZINC000342282332 161053539 /nfs/dbraw/zinc/05/35/39/161053539.db2.gz PKZXPOHDHVLYLY-UHFFFAOYSA-N -3 0 341.366 2.254 20 0 EEADRL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1ccccc1F)OCO2 ZINC000354973577 163038315 /nfs/dbraw/zinc/03/83/15/163038315.db2.gz HRXFROASKUJOSI-UHFFFAOYSA-N -2 0 339.300 2.053 20 0 EEADRL CC[C@H](CCC(=O)[O-])NS(=O)(=O)c1c(Cl)ccnc1Cl ZINC000297216151 294182498 /nfs/dbraw/zinc/18/24/98/294182498.db2.gz NUSQTCKYEZJSFF-SSDOTTSWSA-N -2 0 341.216 2.310 20 0 EEADRL CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000442219855 315196383 /nfs/dbraw/zinc/19/63/83/315196383.db2.gz OIRPCSUTVREGHC-UHFFFAOYSA-N -2 0 349.364 2.362 20 0 EEADRL CC[C@H](C)c1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cn1 ZINC000358492528 465157215 /nfs/dbraw/zinc/15/72/15/465157215.db2.gz CIMIJXDXBRUZHO-JTQLQIEISA-N -2 0 335.385 2.489 20 0 EEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1CCO2 ZINC000358498303 465159142 /nfs/dbraw/zinc/15/91/42/465159142.db2.gz QEXSSGQGZJPOQP-UHFFFAOYSA-N -2 0 349.364 2.129 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)c(C(=O)[O-])c1 ZINC000072008174 463479894 /nfs/dbraw/zinc/47/98/94/463479894.db2.gz ZGCRORDWONGFNP-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL CC(C)C[C@@H](C[N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000262391755 464016418 /nfs/dbraw/zinc/01/64/18/464016418.db2.gz ZYVXZFFRGJROGL-QMMMGPOBSA-N -2 0 339.335 2.129 20 0 EEADRL CC(C)C[C@@H]([N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(=O)[O-] ZINC000263566628 464131703 /nfs/dbraw/zinc/13/17/03/464131703.db2.gz WSYFMVNEPOHKPN-MRVPVSSYSA-N -2 0 343.298 2.021 20 0 EEADRL CC(C)c1nn(C)cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000280844526 464262124 /nfs/dbraw/zinc/26/21/24/464262124.db2.gz AYJBHJPTNFBDER-UHFFFAOYSA-N -2 0 341.364 2.182 20 0 EEADRL CCCC[C@H](NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-])C(=O)[O-] ZINC000347266208 466522412 /nfs/dbraw/zinc/52/24/12/466522412.db2.gz UYMJTOAUHJMJHQ-LBPRGKRZSA-N -2 0 349.362 2.399 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2cncc(Cl)c2)ccc1C(=O)[O-] ZINC000432778425 467263175 /nfs/dbraw/zinc/26/31/75/467263175.db2.gz HGZJDKBFCYTRCF-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL CCOc1ccncc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C)c1 ZINC000436474200 467538943 /nfs/dbraw/zinc/53/89/43/467538943.db2.gz BPUUNMRDIRWHAU-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc(C(=O)[O-])c1 ZINC000507551042 485503831 /nfs/dbraw/zinc/50/38/31/485503831.db2.gz MQBADZCBLIVTDK-UHFFFAOYSA-N -3 0 341.366 2.254 20 0 EEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C)c1O ZINC000674755293 485799040 /nfs/dbraw/zinc/79/90/40/485799040.db2.gz VZTRHVXEDVMMDG-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000677185711 486390078 /nfs/dbraw/zinc/39/00/78/486390078.db2.gz WORAQGWIVXLUBX-UHFFFAOYSA-N -2 0 337.401 2.044 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C(F)F)cc1C(=O)[O-] ZINC000677551587 486455089 /nfs/dbraw/zinc/45/50/89/486455089.db2.gz CZLJHVHAFPDIBU-UHFFFAOYSA-N -2 0 345.327 2.165 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccsc1C(=O)[O-] ZINC000738546412 578019034 /nfs/dbraw/zinc/01/90/34/578019034.db2.gz ZNIIXTLTIUMBGU-UHFFFAOYSA-N -2 0 341.366 2.254 20 0 EEADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-]C[C@@H](CC1CCCC1)C(=O)[O-] ZINC000776556399 576127022 /nfs/dbraw/zinc/12/70/22/576127022.db2.gz ZVNOWNSZWHRZBK-WCBMZHEXSA-N -2 0 331.356 2.138 20 0 EEADRL CC(C)n1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cn1 ZINC000315095259 600099034 /nfs/dbraw/zinc/09/90/34/600099034.db2.gz VUJLQPBJIDCFRJ-UHFFFAOYSA-N -2 0 327.337 2.102 20 0 EEADRL O=C([O-])[C@@H]1CN(C(=O)c2nn(-c3ccccc3)cc2[O-])c2ccccc21 ZINC000833192631 600717450 /nfs/dbraw/zinc/71/74/50/600717450.db2.gz POMWQJJIVGNBGU-CQSZACIVSA-N -2 0 349.346 2.407 20 0 EEADRL COCCN(CCC(=O)[O-])C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000831729856 600765835 /nfs/dbraw/zinc/76/58/35/600765835.db2.gz BVROWCXNFZGWGH-UHFFFAOYSA-N -2 0 336.171 2.262 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1n[nH]c2ccccc21 ZINC000832868949 601201423 /nfs/dbraw/zinc/20/14/23/601201423.db2.gz VXXLFOHVVGYFJE-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)n2)c1 ZINC000832935173 601388930 /nfs/dbraw/zinc/38/89/30/601388930.db2.gz ANZRYOUJVSAISL-CQSZACIVSA-N -2 0 349.362 2.255 20 0 EEADRL CSc1ccncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000832789634 601577284 /nfs/dbraw/zinc/57/72/84/601577284.db2.gz BTEGVOSSJNKWFW-UHFFFAOYSA-N -2 0 342.373 2.442 20 0 EEADRL Cc1ccc(O)c([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1 ZINC000832953479 601617423 /nfs/dbraw/zinc/61/74/23/601617423.db2.gz TWXITRSBAICGMJ-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000833345329 601830900 /nfs/dbraw/zinc/83/09/00/601830900.db2.gz QXWOKTPVCSMAIE-UHFFFAOYSA-N -2 0 336.753 2.435 20 0 EEADRL Cc1cccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c1O ZINC000832973390 601863746 /nfs/dbraw/zinc/86/37/46/601863746.db2.gz ZYKKUQMTXFGHFV-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(F)cc1O ZINC000833345148 602202012 /nfs/dbraw/zinc/20/20/12/602202012.db2.gz RDXIDHFGXRVZDV-UHFFFAOYSA-N -2 0 346.723 2.079 20 0 EEADRL CCCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)n[nH]1 ZINC000322238310 602305366 /nfs/dbraw/zinc/30/53/66/602305366.db2.gz ZXKBHYGOTJOBAV-UHFFFAOYSA-N -2 0 337.401 2.478 20 0 EEADRL C[C@@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000828221758 602383454 /nfs/dbraw/zinc/38/34/54/602383454.db2.gz XNAMOYGJFRDMQN-RKDXNWHRSA-N -2 0 331.415 2.078 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2nc(CCC(=O)[O-])cs2)ccc1F ZINC000832904466 604625086 /nfs/dbraw/zinc/62/50/86/604625086.db2.gz OUNHOBWGOGGCLY-UHFFFAOYSA-N -2 0 344.389 2.409 20 0 EEADRL O=C([O-])C1(CNC(=O)c2ccc(Cl)c(Cl)c2[O-])CCOCC1 ZINC000833766306 605136988 /nfs/dbraw/zinc/13/69/88/605136988.db2.gz GBRDMSQUSXSPBK-UHFFFAOYSA-N -2 0 348.182 2.310 20 0 EEADRL CC(C)Cn1[n-]c(CC(=O)Nc2ccc3[n-]c(=S)oc3c2)cc1=O ZINC000934799318 1208032422 /nfs/dbraw/zinc/03/24/22/1208032422.db2.gz KVNYLCRYWBESKC-UHFFFAOYSA-N -2 0 346.412 2.444 20 0 EEADRL COC(=O)C1CCC(Oc2ccc(OP(=O)([O-])[O-])cc2)CC1 ZINC001234335087 1304883992 /nfs/dbraw/zinc/88/39/92/1304883992.db2.gz FTUVVDOWFICRCV-UHFFFAOYSA-N -2 0 330.273 2.269 20 0 EEADRL O=C1[N-]S(=O)(=O)c2cccc(-c3c(F)cc(F)c([O-])c3F)c2N1 ZINC001236002708 1305473750 /nfs/dbraw/zinc/47/37/50/1305473750.db2.gz SORNZDFXCAIFOJ-UHFFFAOYSA-N -2 0 344.270 2.300 20 0 EEADRL CS(=O)(=O)Nc1ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])cc1 ZINC001240322727 1309303017 /nfs/dbraw/zinc/30/30/17/1309303017.db2.gz YQWABBIGPIMTLX-UHFFFAOYSA-N -2 0 335.337 2.122 20 0 EEADRL CCOC(=O)Cc1ccnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242161184 1309622925 /nfs/dbraw/zinc/62/29/25/1309622925.db2.gz ZDGDNTZWHCONBL-UHFFFAOYSA-N -2 0 329.308 2.251 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(=O)n(-c3ccccn3)c2)c1 ZINC001242163786 1309625537 /nfs/dbraw/zinc/62/55/37/1309625537.db2.gz LHZLQIJLNPAKQU-UHFFFAOYSA-N -2 0 336.303 2.296 20 0 EEADRL CCS(=O)(=O)N1CCC(Nc2cc([S-])cc([S-])c2)CC1 ZINC001164320462 1321350817 /nfs/dbraw/zinc/35/08/17/1321350817.db2.gz AIIFZCYYRZXJFM-UHFFFAOYSA-N -2 0 332.516 2.490 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2cccc3c(=O)[nH][nH]c(=O)c23)c1C ZINC001260998865 1321996898 /nfs/dbraw/zinc/99/68/98/1321996898.db2.gz XKCMUEXKOKMHLA-UHFFFAOYSA-N -2 0 345.380 2.459 20 0 EEADRL O=C([O-])[C@@H]1C[C@@H]1CNS(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC001602193477 1350462546 /nfs/dbraw/zinc/46/25/46/1350462546.db2.gz GZWOFGLHAUIFPO-IYSWYEEDSA-N -2 0 342.175 2.132 20 0 EEADRL CCc1sc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1C ZINC001605897303 1351249704 /nfs/dbraw/zinc/24/97/04/1351249704.db2.gz AMUBILCKSIHXCS-UHFFFAOYSA-N -2 0 343.382 2.029 20 0 EEADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc(O)c1F ZINC001607145819 1351437260 /nfs/dbraw/zinc/43/72/60/1351437260.db2.gz UTGWJLGINJMCQI-UHFFFAOYSA-N -2 0 347.345 2.100 20 0 EEADRL O=C([O-])C1CC2(C1)CN(C(=O)C1(C3CCCCC3)CC1)C[C@H]2C(=O)[O-] ZINC001608609539 1351725372 /nfs/dbraw/zinc/72/53/72/1351725372.db2.gz BSQFHJYYFSRDKL-FHBSJOOWSA-N -2 0 349.427 2.371 20 0 EEADRL O=C([O-])CCCO[N-]C(=O)CSc1nc2ccccc2s1 ZINC001608716300 1351748177 /nfs/dbraw/zinc/74/81/77/1351748177.db2.gz GKSDYCVYEMYRDQ-UHFFFAOYSA-N -2 0 326.399 2.301 20 0 EEADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1C ZINC001609911601 1352118001 /nfs/dbraw/zinc/11/80/01/1352118001.db2.gz SRWRPBRWYJHFDJ-MRVPVSSYSA-N -2 0 327.362 2.255 20 0 EEADRL Cc1cc(C)c(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)s1 ZINC001610452785 1352224567 /nfs/dbraw/zinc/22/45/67/1352224567.db2.gz QYKXIFIQJGFXEJ-XYPYZODXSA-N -2 0 345.442 2.061 20 0 EEADRL O=C([O-])[C@@H]1CCN(C(=O)Nc2nc3ccccc3s2)[C@@H](C(=O)[O-])C1 ZINC001610743851 1352267710 /nfs/dbraw/zinc/26/77/10/1352267710.db2.gz BZGFGSFSDPOCJZ-PSASIEDQSA-N -2 0 349.368 2.078 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1noc(C(C)C)n1 ZINC001599999848 1349952794 /nfs/dbraw/zinc/95/27/94/1349952794.db2.gz PBLXBRMBGDDEOL-UHFFFAOYSA-N -2 0 325.346 2.000 20 0 EEADRL Cc1coc(CC(=O)[O-])c1C(=O)Nc1nnc(C(F)(F)F)s1 ZINC001600643474 1350104641 /nfs/dbraw/zinc/10/46/41/1350104641.db2.gz PNOXLDOYWOCEPG-UHFFFAOYSA-N -2 0 335.263 2.338 20 0 EEADRL Cn1cc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)cc1C(=O)[O-] ZINC001600966512 1350178614 /nfs/dbraw/zinc/17/86/14/1350178614.db2.gz JFQAPDVBRBIBCK-UHFFFAOYSA-N -2 0 337.332 2.145 20 0 EEADRL Cn1nc(-c2ccco2)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001600997045 1350185407 /nfs/dbraw/zinc/18/54/07/1350185407.db2.gz DWWGMFOEJPWQRN-UHFFFAOYSA-N -2 0 347.352 2.179 20 0 EEADRL O=C([O-])c1ccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)cc1F ZINC001601613713 1350319857 /nfs/dbraw/zinc/31/98/57/1350319857.db2.gz SKTHWAXHEQSXAK-UHFFFAOYSA-N -2 0 342.286 2.267 20 0 EEADRL O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2nccc(Br)c2[O-])C1 ZINC001601805172 1350368545 /nfs/dbraw/zinc/36/85/45/1350368545.db2.gz GLWNJZHZRDOXHM-HTQZYQBOSA-N -2 0 343.177 2.379 20 0 EEADRL O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2nn(-c3ccccc3F)cc2[O-])C1 ZINC001602112963 1350441741 /nfs/dbraw/zinc/44/17/41/1350441741.db2.gz VBPFSAGEUIAKMY-MNOVXSKESA-N -2 0 347.346 2.090 20 0 EEADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2nccc3ccncc32)cc1 ZINC001602132259 1350446583 /nfs/dbraw/zinc/44/65/83/1350446583.db2.gz MTSNJHARSKYCRM-UHFFFAOYSA-N -2 0 343.364 2.058 20 0 EEADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2nccc3ccncc32)c1 ZINC001602274218 1350483483 /nfs/dbraw/zinc/48/34/83/1350483483.db2.gz KPQBXWMBXHFMOJ-UHFFFAOYSA-N -2 0 347.327 2.268 20 0 EEADRL O=C([O-])c1ccc(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1Cl ZINC001602376443 1350506431 /nfs/dbraw/zinc/50/64/31/1350506431.db2.gz CKSMNHKNUINWBH-MRVPVSSYSA-N -2 0 326.736 2.367 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)cn1 ZINC001602401800 1350510886 /nfs/dbraw/zinc/51/08/86/1350510886.db2.gz YNCZTIOVCPXCMU-UHFFFAOYSA-N -2 0 346.723 2.079 20 0 EEADRL O=C([O-])c1sccc1[N-]S(=O)(=O)c1ccnn1CC1CCC1 ZINC001602596878 1350554042 /nfs/dbraw/zinc/55/40/42/1350554042.db2.gz FBOOYHLRWXBEHX-UHFFFAOYSA-N -2 0 341.414 2.244 20 0 EEADRL C[C@H](C(=O)[O-])c1cccc([N-]S(=O)(=O)c2cc(C3CC3)nn2C)c1 ZINC001603221121 1350664463 /nfs/dbraw/zinc/66/44/63/1350664463.db2.gz HUVNCMLTVFTHLV-JTQLQIEISA-N -2 0 349.412 2.286 20 0 EEADRL CC(C)[C@H](CNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F)C(=O)[O-] ZINC001603722602 1350750638 /nfs/dbraw/zinc/75/06/38/1350750638.db2.gz OHUDIAYUQMDBHA-QMMMGPOBSA-N -2 0 330.287 2.141 20 0 EEADRL CC(C)CC(CC(C)C)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-] ZINC001603769195 1350762441 /nfs/dbraw/zinc/76/24/41/1350762441.db2.gz BPBNFFHWJQPMLI-NEPJUHHUSA-N -2 0 335.466 2.250 20 0 EEADRL CCc1ccncc1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC001605836642 1351232837 /nfs/dbraw/zinc/23/28/37/1351232837.db2.gz KFROTTJWXPIFJX-UHFFFAOYSA-N -2 0 342.398 2.213 20 0 EEADRL CCc1noc(C)c1[N-]S(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC001605876242 1351244142 /nfs/dbraw/zinc/24/41/42/1351244142.db2.gz DOUQMNLBPRRKAT-UHFFFAOYSA-N -2 0 330.387 2.414 20 0 EEADRL COc1ccccc1C[C@H](CNC(=O)c1ccc(F)cc1[O-])C(=O)[O-] ZINC001607342539 1351478735 /nfs/dbraw/zinc/47/87/35/1351478735.db2.gz BDPLNNFAEOIIFH-GFCCVEGCSA-N -2 0 347.342 2.213 20 0 EEADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001607840036 1351569223 /nfs/dbraw/zinc/56/92/23/1351569223.db2.gz MALCPJCNHGJBMM-UHFFFAOYSA-N -3 0 341.366 2.254 20 0 EEADRL Cc1cnc(C(=O)Nc2cc3c(cc2C(=O)[O-])OCCCO3)c([O-])c1 ZINC001607905505 1351583017 /nfs/dbraw/zinc/58/30/17/1351583017.db2.gz PBYPHUURTJNTGZ-UHFFFAOYSA-N -2 0 344.323 2.207 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2nnc(C(C)C)s2)c1C(=O)[O-] ZINC001608043098 1351612322 /nfs/dbraw/zinc/61/23/22/1351612322.db2.gz JETQYKZNZCDOJG-UHFFFAOYSA-N -2 0 345.402 2.370 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)CCC2CCCC2)c1 ZINC001608300045 1351666555 /nfs/dbraw/zinc/66/65/55/1351666555.db2.gz CNJSEOPOWPRDRL-UHFFFAOYSA-N -2 0 325.386 2.160 20 0 EEADRL CCCCOc1ccc(NC(=O)NCCOP(=O)([O-])[O-])cc1 ZINC001189323561 1368346385 /nfs/dbraw/zinc/34/63/85/1368346385.db2.gz RSBQKFKEHBKBTB-UHFFFAOYSA-N -2 0 332.293 2.096 20 0 EEADRL CN(Cc1n[n-]c(=O)o1)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001606175389 1404773156 /nfs/dbraw/zinc/77/31/56/1404773156.db2.gz FUEHJOZFPWSBRP-SNVBAGLBSA-N -2 0 332.143 2.340 20 0 EEADRL CC(=O)[N-]S(=O)(=O)c1ccc(Nc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC001211654878 769378524 /nfs/dbraw/zinc/37/85/24/769378524.db2.gz BHAGBUYEKOVGTF-UHFFFAOYSA-N -2 0 348.380 2.262 20 0 EEADRL Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c(Cl)c1C ZINC000910182295 786514716 /nfs/dbraw/zinc/51/47/16/786514716.db2.gz GOABFTBJWLPCCA-CMPLNLGQSA-N -2 0 339.775 2.347 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000910186485 786518765 /nfs/dbraw/zinc/51/87/65/786518765.db2.gz SABSFOKJOKETLC-KOLCDFICSA-N -2 0 345.273 2.095 20 0 EEADRL Cc1cc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c(C)n1C(C)C ZINC000910187596 786520197 /nfs/dbraw/zinc/52/01/97/786520197.db2.gz FSOMMJJYTGYOCB-OCCSQVGLSA-N -2 0 336.388 2.076 20 0 EEADRL Cn1nc(Br)cc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176236834 798389860 /nfs/dbraw/zinc/38/98/60/798389860.db2.gz BBAKIONGRRSRCF-UHFFFAOYSA-N -2 0 340.133 2.323 20 0 EEADRL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-][C@H](c1ncccc1F)C1CC1 ZINC001180180828 800288543 /nfs/dbraw/zinc/28/85/43/800288543.db2.gz UJEBQGGEIBTREO-QMMMGPOBSA-N -2 0 338.232 2.143 20 0 EEADRL CCc1oncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793429279 810328034 /nfs/dbraw/zinc/32/80/34/810328034.db2.gz DXJBRQQLIKLBLB-UHFFFAOYSA-N -2 0 328.321 2.184 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)nc1 ZINC001595237952 949422627 /nfs/dbraw/zinc/42/26/27/949422627.db2.gz AARVJYHSSPQACI-UHFFFAOYSA-N -2 0 334.353 2.122 20 0 EEADRL O=C([O-])CC[C@@H]1CCCCN1C(=O)CSc1n[n-]c(=S)s1 ZINC001595008082 951228595 /nfs/dbraw/zinc/22/85/95/951228595.db2.gz CUIXVJJJQFWVLD-QMMMGPOBSA-N -2 0 347.487 2.165 20 0 EEADRL C[C@]1(C(=O)[O-])CCCN1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001589189048 956587128 /nfs/dbraw/zinc/58/71/28/956587128.db2.gz PSLSCBHQQYNEMY-MRXNPFEDSA-N -2 0 349.774 2.311 20 0 EEADRL O=C([O-])C=Cc1ccc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)cc1 ZINC000024425287 957159186 /nfs/dbraw/zinc/15/91/86/957159186.db2.gz SWIWZNGHEZEKJR-RMKNXTFCSA-N -2 0 343.364 2.462 20 0 EEADRL C[C@@]1(C(=O)[O-])CCCN1C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001573645678 959638442 /nfs/dbraw/zinc/63/84/42/959638442.db2.gz JODPLZFMZKWPPX-INIZCTEOSA-N -2 0 349.774 2.311 20 0 EEADRL O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)c1ccc([O-])c(Cl)c1)O2 ZINC001605770200 972476679 /nfs/dbraw/zinc/47/66/79/972476679.db2.gz XQIIEPOOFOEQCF-CSJGVYOVSA-N -2 0 339.775 2.188 20 0 EEADRL CC(C)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1)C(F)(F)F ZINC001591905450 976305813 /nfs/dbraw/zinc/30/58/13/976305813.db2.gz RAXUPQREKMHUNM-ZETCQYMHSA-N -2 0 349.714 2.496 20 0 EEADRL O=C([O-])[C@@H]1CCN(C(=O)c2n[n-]c3ccccc3c2=O)[C@H]2CCC[C@H]21 ZINC000864175542 979815845 /nfs/dbraw/zinc/81/58/45/979815845.db2.gz LKLPBUFDAPPUGY-WDMOLILDSA-N -2 0 341.367 2.051 20 0 EEADRL CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])o1 ZINC001595363708 980785824 /nfs/dbraw/zinc/78/58/24/980785824.db2.gz JHDDMOJOJDBIEK-ZDUSSCGKSA-N -2 0 337.353 2.189 20 0 EEADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cc2c(cccc2Cl)s1 ZINC001589492595 987064355 /nfs/dbraw/zinc/06/43/55/987064355.db2.gz VIUSUBGXAYIDLC-ZCFIWIBFSA-N -2 0 347.801 2.087 20 0 EEADRL CSc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])cc1Cl ZINC001599820946 988512136 /nfs/dbraw/zinc/51/21/36/988512136.db2.gz QMSWRLVVDUXNHB-UHFFFAOYSA-N -2 0 347.805 2.284 20 0 EEADRL CCn1nccc1S(=O)(=O)[N-]c1sc(C)c(C)c1C(=O)[O-] ZINC001597968210 990012443 /nfs/dbraw/zinc/01/24/43/990012443.db2.gz RPJURQCLXFSSDC-UHFFFAOYSA-N -2 0 329.403 2.080 20 0 EEADRL CC(C)[C@@H](C(=O)[O-])C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC001590957374 991039805 /nfs/dbraw/zinc/03/98/05/991039805.db2.gz SXFNOMVVHNLKOV-OAHLLOKOSA-N -2 0 348.399 2.145 20 0 EEADRL CC(C)CCC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001591214153 992068970 /nfs/dbraw/zinc/06/89/70/992068970.db2.gz QIZXDKPUXYPQOX-UHFFFAOYSA-N -2 0 333.793 2.279 20 0 EEADRL C[C@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593161598 993993933 /nfs/dbraw/zinc/99/39/33/993993933.db2.gz FCDQBRYFHVBJQV-CESWHZPVSA-N -2 0 335.356 2.243 20 0 EEADRL COc1ccc(C(=O)[O-])c2c1CN(C(=O)c1c([O-])cccc1F)CC2 ZINC001599497569 997045213 /nfs/dbraw/zinc/04/52/13/997045213.db2.gz PVHKSIRHJCDJFM-UHFFFAOYSA-N -2 0 345.326 2.437 20 0 EEADRL COc1c(C)ccc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)c1C ZINC001599332778 997777211 /nfs/dbraw/zinc/77/72/11/997777211.db2.gz NJNQXXZSXAFTIH-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL C[C@@H]1CCC[C@@]1(C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001594357360 999351475 /nfs/dbraw/zinc/35/14/75/999351475.db2.gz LXGRBMKSMAIEFD-AMIZOPFISA-N -2 0 331.415 2.078 20 0 EEADRL CC[C@@](C)([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)C(F)(F)F ZINC001609897408 1124247143 /nfs/dbraw/zinc/24/71/43/1124247143.db2.gz RNICZHZZSQIXCN-SECBINFHSA-N -2 0 331.337 2.456 20 0 EEADRL Cc1ccc(C(=O)N2CCC(n3cc(C(=O)[O-])cn3)CC2)c(O)c1 ZINC000263235455 245366039 /nfs/dbraw/zinc/36/60/39/245366039.db2.gz SOKVFGYCUFOFCB-UHFFFAOYSA-N -2 0 329.356 2.073 20 0 EEADRL CSC(C)(C)CNS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000273695964 256319008 /nfs/dbraw/zinc/31/90/08/256319008.db2.gz MUHQUCTZIPHOTL-UHFFFAOYSA-N -2 0 335.422 2.252 20 0 EEADRL CC(C)Cc1ncc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cn1 ZINC000355884196 153185457 /nfs/dbraw/zinc/18/54/57/153185457.db2.gz MPGOYUAFUIRJOC-UHFFFAOYSA-N -2 0 349.412 2.103 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(C(C)(C)C)nc1 ZINC000343834255 161172781 /nfs/dbraw/zinc/17/27/81/161172781.db2.gz LSPWYNUWEATTBM-UHFFFAOYSA-N -2 0 339.373 2.175 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cnn1CC(C)C ZINC000346472836 161375338 /nfs/dbraw/zinc/37/53/38/161375338.db2.gz GNTJVZWRUWFNNJ-UHFFFAOYSA-N -2 0 337.401 2.347 20 0 EEADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000355069661 163070883 /nfs/dbraw/zinc/07/08/83/163070883.db2.gz ZVGRPIYABZVVTA-UHFFFAOYSA-N -2 0 342.373 2.442 20 0 EEADRL Cc1ccc(F)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC000360517557 164328258 /nfs/dbraw/zinc/32/82/58/164328258.db2.gz YUFPXZOVUSVFMF-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000298838861 294598577 /nfs/dbraw/zinc/59/85/77/294598577.db2.gz FCQQNBAYSQWTKR-UHFFFAOYSA-N -2 0 338.385 2.231 20 0 EEADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H](CC(=O)[O-])c1ccccc1F ZINC000548246905 318367846 /nfs/dbraw/zinc/36/78/46/318367846.db2.gz DDNDCWIFQHWCKZ-OIBJUYFYSA-N -2 0 343.298 2.212 20 0 EEADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1F ZINC000548593958 318397370 /nfs/dbraw/zinc/39/73/70/318397370.db2.gz VPAAPQFXTGLDHR-SCSAIBSYSA-N -2 0 333.234 2.356 20 0 EEADRL Cc1ccccc1-c1cc(=NC(=O)N=c2ncn(C(C)(C)C)[n-]2)[nH][nH]1 ZINC000577716722 320271242 /nfs/dbraw/zinc/27/12/42/320271242.db2.gz KYPYEGYZCVKNKI-UHFFFAOYSA-N -2 0 339.403 2.219 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)c1ccccc1C(=O)[O-] ZINC000001926278 462588154 /nfs/dbraw/zinc/58/81/54/462588154.db2.gz QHOWIUQHGGPPGH-UHFFFAOYSA-N -2 0 349.364 2.217 20 0 EEADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cc(F)ccc2F)c1O ZINC000148744278 463402871 /nfs/dbraw/zinc/40/28/71/463402871.db2.gz OQMNJFXOFFNPOH-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2F)cc1 ZINC000362305618 465642685 /nfs/dbraw/zinc/64/26/85/465642685.db2.gz NYNUNULSKMRRLB-UHFFFAOYSA-N -2 0 339.300 2.023 20 0 EEADRL Cc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000299473374 465762191 /nfs/dbraw/zinc/76/21/91/465762191.db2.gz CIDKQWYQUWHWIZ-UHFFFAOYSA-N -2 0 336.369 2.279 20 0 EEADRL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000350729638 466590268 /nfs/dbraw/zinc/59/02/68/466590268.db2.gz MJEHYVQWYVRXDM-UHFFFAOYSA-N -2 0 345.327 2.084 20 0 EEADRL O=C([O-])c1cccc(CCNS(=O)(=O)c2cc(F)ccc2F)c1 ZINC000320760546 466613815 /nfs/dbraw/zinc/61/38/15/466613815.db2.gz YHEIRYRDQYTIAH-UHFFFAOYSA-N -2 0 341.335 2.184 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nccnc3c2)c(F)c1 ZINC000325522881 466660166 /nfs/dbraw/zinc/66/01/66/466660166.db2.gz GOQUCXSBVCRDAA-UHFFFAOYSA-N -2 0 347.327 2.268 20 0 EEADRL Cc1ccc(O)c([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)c1 ZINC000436708439 467551278 /nfs/dbraw/zinc/55/12/78/467551278.db2.gz UZLJNDQRKLLSCL-UHFFFAOYSA-N -2 0 337.353 2.214 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cn(C)nc2C2CC2)ccc1C(=O)[O-] ZINC000515447292 467992523 /nfs/dbraw/zinc/99/25/23/467992523.db2.gz WRECZOPAWHRVJU-UHFFFAOYSA-N -2 0 335.385 2.105 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(CC2CC2)nc1 ZINC000551117087 468231833 /nfs/dbraw/zinc/23/18/33/468231833.db2.gz QMDUKQKOSSQNEP-UHFFFAOYSA-N -2 0 347.396 2.237 20 0 EEADRL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])ccc1F ZINC000738332142 578009817 /nfs/dbraw/zinc/00/98/17/578009817.db2.gz IHJRCIBSDHSGBW-UHFFFAOYSA-N -2 0 343.357 2.013 20 0 EEADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-]C[C@@H](CC1CCCC1)C(=O)[O-] ZINC000776556391 577462273 /nfs/dbraw/zinc/46/22/73/577462273.db2.gz ZVNOWNSZWHRZBK-PSASIEDQSA-N -2 0 331.356 2.138 20 0 EEADRL CCc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000754760715 577812314 /nfs/dbraw/zinc/81/23/14/577812314.db2.gz QZKBKHAMNUFGMT-UHFFFAOYSA-N -2 0 342.348 2.492 20 0 EEADRL CCn1nc(C)c([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1C ZINC000737312476 578249726 /nfs/dbraw/zinc/24/97/26/578249726.db2.gz RKLDNYPJOAPNKV-UHFFFAOYSA-N -2 0 329.403 2.080 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)o1 ZINC000386083417 599737280 /nfs/dbraw/zinc/73/72/80/599737280.db2.gz LCQILSQWBRCWMM-UHFFFAOYSA-N -2 0 333.268 2.380 20 0 EEADRL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(C)[nH]c1C(=O)[O-] ZINC000317333961 600254553 /nfs/dbraw/zinc/25/45/53/600254553.db2.gz KVXPSCYTVRWVQG-UHFFFAOYSA-N -2 0 344.776 2.484 20 0 EEADRL COc1cc(C(=O)[O-])cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1OC ZINC000831892774 600669422 /nfs/dbraw/zinc/66/94/22/600669422.db2.gz WFFCNCYDMVOGDO-MNOVXSKESA-N -2 0 349.339 2.008 20 0 EEADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2cccc3c2CCCC3)c1 ZINC000833335124 601402965 /nfs/dbraw/zinc/40/29/65/601402965.db2.gz NQJUNGSYDAGLBD-UHFFFAOYSA-N -2 0 332.381 2.459 20 0 EEADRL CCCCc1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)s1 ZINC000829441900 601502303 /nfs/dbraw/zinc/50/23/03/601502303.db2.gz ZQSDZUSAUBGQTK-UHFFFAOYSA-N -2 0 341.414 2.380 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c(Cl)n1 ZINC000832413422 602106995 /nfs/dbraw/zinc/10/69/95/602106995.db2.gz WMAKLPKZUBUCER-UHFFFAOYSA-N -2 0 346.748 2.144 20 0 EEADRL COC(=O)c1csc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC000831467150 602115977 /nfs/dbraw/zinc/11/59/77/602115977.db2.gz RTBYSFVXIXQXHZ-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL COc1cc(F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1F ZINC000832010131 602122263 /nfs/dbraw/zinc/12/22/63/602122263.db2.gz AHZKXALNVXERIA-UHFFFAOYSA-N -2 0 333.268 2.065 20 0 EEADRL C[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000827304502 602191754 /nfs/dbraw/zinc/19/17/54/602191754.db2.gz WGIGTVATBVEESA-LBPRGKRZSA-N -2 0 347.392 2.269 20 0 EEADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)c1 ZINC000833494240 605302081 /nfs/dbraw/zinc/30/20/81/605302081.db2.gz KAPZAYXJAQUQDB-UHFFFAOYSA-N -2 0 329.403 2.100 20 0 EEADRL CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1C ZINC000044259787 1208344718 /nfs/dbraw/zinc/34/47/18/1208344718.db2.gz UTUJFIZAWBGEMJ-UHFFFAOYSA-N -2 0 348.380 2.452 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C2CCC2)nn1C ZINC001185880059 1278848301 /nfs/dbraw/zinc/84/83/01/1278848301.db2.gz ZLHIMZITZFAFFC-UHFFFAOYSA-N -2 0 349.412 2.495 20 0 EEADRL COC(=O)c1nc2cc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)ccc2[nH]1 ZINC001242161577 1309624120 /nfs/dbraw/zinc/62/41/20/1309624120.db2.gz CCMHUBHKGSZJBJ-UHFFFAOYSA-N -2 0 340.291 2.413 20 0 EEADRL NC(=O)c1cnc2cc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)ccc2c1 ZINC001242164117 1309625403 /nfs/dbraw/zinc/62/54/03/1309625403.db2.gz CPTKKBPBRSPCAG-UHFFFAOYSA-N -2 0 336.303 2.397 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[O-])cc2)s1 ZINC001260684550 1319942950 /nfs/dbraw/zinc/94/29/50/1319942950.db2.gz YGDUHNLWMKASMK-UHFFFAOYSA-N -2 0 333.412 2.104 20 0 EEADRL CC(C)(C)Cc1nnc(-c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)o1 ZINC001257898491 1319100913 /nfs/dbraw/zinc/10/09/13/1319100913.db2.gz NWBUBRORMPTMHY-UHFFFAOYSA-N -2 0 340.357 2.270 20 0 EEADRL CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1ncc(F)cc1[O-])C(=O)C2 ZINC001258967563 1319397459 /nfs/dbraw/zinc/39/74/59/1319397459.db2.gz UYABSXKFMLPIRL-VFZGTOFNSA-N -2 0 342.392 2.063 20 0 EEADRL O=C([O-])c1cc(NC(=O)C(=O)[N-]OC2CCCCC2)ccc1Cl ZINC001608484538 1351702464 /nfs/dbraw/zinc/70/24/64/1351702464.db2.gz NUVNTYFHMBXBIB-UHFFFAOYSA-N -2 0 340.763 2.357 20 0 EEADRL CC(C)(C)C[C@H](OC(=O)c1ccccc1[N-]S(C)(=O)=O)C(=O)[O-] ZINC001603332165 1350689360 /nfs/dbraw/zinc/68/93/60/1350689360.db2.gz WGUSSGWKCODRJB-LBPRGKRZSA-N -2 0 343.401 2.104 20 0 EEADRL O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)CSc1n[n-]c(=S)s1 ZINC001608355311 1351677473 /nfs/dbraw/zinc/67/74/73/1351677473.db2.gz BGSNINMUKPRPJG-SFYZADRCSA-N -2 0 347.487 2.069 20 0 EEADRL CCc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)ccc1C ZINC001609251377 1351910228 /nfs/dbraw/zinc/91/02/28/1351910228.db2.gz LQRFGWJBAQHYKC-UHFFFAOYSA-N -2 0 333.373 2.131 20 0 EEADRL CCCCC[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])C(C)C ZINC001609964785 1352131497 /nfs/dbraw/zinc/13/14/97/1352131497.db2.gz MPFRGKMJTIOCAG-XQQFMLRXSA-N -2 0 335.466 2.394 20 0 EEADRL Cc1cc(C2CC2)nc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)n1 ZINC001610458112 1352225860 /nfs/dbraw/zinc/22/58/60/1352225860.db2.gz UZPWFSHRBSTCRQ-UHFFFAOYSA-N -2 0 339.398 2.223 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c1C(=O)[O-] ZINC001610580228 1352248470 /nfs/dbraw/zinc/24/84/70/1352248470.db2.gz MKHXNTJHASZGNJ-UHFFFAOYSA-N -3 0 339.325 2.094 20 0 EEADRL O=C([O-])CC1(NC(=O)c2nn(-c3ccccc3)cc2[O-])CCCC1 ZINC001610758748 1352269839 /nfs/dbraw/zinc/26/98/39/1352269839.db2.gz CBXWXWGQHKMDBC-UHFFFAOYSA-N -2 0 329.356 2.095 20 0 EEADRL O=C([O-])CCSc1ncccc1[N-]S(=O)(=O)c1ccccc1 ZINC001610777835 1352272815 /nfs/dbraw/zinc/27/28/15/1352272815.db2.gz LSZNJIHVHPFPPH-UHFFFAOYSA-N -2 0 338.410 2.449 20 0 EEADRL O=C([O-])CCOc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC001610775791 1352272565 /nfs/dbraw/zinc/27/25/65/1352272565.db2.gz QNUFUXQYAJBQPQ-KBPBESRZSA-N -2 0 333.340 2.146 20 0 EEADRL CC(C)(CNC(=O)c1cccc(Br)c1[O-])CC(=O)[O-] ZINC001590750317 1349396203 /nfs/dbraw/zinc/39/62/03/1349396203.db2.gz GIURQHXJAPWMHS-UHFFFAOYSA-N -2 0 330.178 2.385 20 0 EEADRL O=C([O-])[C@@H]1CN(C(=O)c2ccc3oc(=S)[n-]c3c2)C[C@H]1C1CC1 ZINC001595190194 1349881933 /nfs/dbraw/zinc/88/19/33/1349881933.db2.gz KTYUASFUPIWQGU-WDEREUQCSA-N -2 0 332.381 2.299 20 0 EEADRL Cc1ccc([C@H](C)NC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1 ZINC001600368654 1350031394 /nfs/dbraw/zinc/03/13/94/1350031394.db2.gz PPOGUXIQQYLRMN-YUTCNCBUSA-N -2 0 334.372 2.015 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2O)c1C(=O)[O-] ZINC001600463816 1350057837 /nfs/dbraw/zinc/05/78/37/1350057837.db2.gz SOTNKHYUXKESAO-UHFFFAOYSA-N -2 0 325.342 2.409 20 0 EEADRL Cc1ccc2[nH]c([N-]S(=O)(=O)c3ccc(CC(=O)[O-])cc3)nc2c1 ZINC001600488466 1350063869 /nfs/dbraw/zinc/06/38/69/1350063869.db2.gz IGVOFWXUKUCNMW-UHFFFAOYSA-N -2 0 345.380 2.299 20 0 EEADRL O=C([O-])C1(CS(=O)(=O)[N-][C@@H]2CCCC2(F)F)CCCCC1 ZINC001601712076 1350345387 /nfs/dbraw/zinc/34/53/87/1350345387.db2.gz ADQJDRBOKKMEBC-SNVBAGLBSA-N -2 0 325.377 2.129 20 0 EEADRL O=C([O-])[C@@H]1CCN(C(=O)Nc2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001601824269 1350372978 /nfs/dbraw/zinc/37/29/78/1350372978.db2.gz SCKWDFWHHAECQH-KCJUWKMLSA-N -2 0 326.736 2.122 20 0 EEADRL O=C([O-])CN(C(=O)c1cc(Cl)cc(Cl)c1[O-])C1CCOCC1 ZINC001602050179 1350427403 /nfs/dbraw/zinc/42/74/03/1350427403.db2.gz HRWKEZLGZMCTEZ-UHFFFAOYSA-N -2 0 348.182 2.405 20 0 EEADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]c2cnc3ccccc3n2)c1 ZINC001602440676 1350520423 /nfs/dbraw/zinc/52/04/23/1350520423.db2.gz CRUIKXIFCIHXLR-UHFFFAOYSA-N -2 0 343.364 2.270 20 0 EEADRL O=C([O-])c1cnc(NCC2(C(=O)[O-])CCOCC2)cc1C(F)(F)F ZINC001602529107 1350539312 /nfs/dbraw/zinc/53/93/12/1350539312.db2.gz CGXQXDSKVTYLHL-UHFFFAOYSA-N -2 0 348.277 2.092 20 0 EEADRL CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC001603267069 1350675337 /nfs/dbraw/zinc/67/53/37/1350675337.db2.gz UNVCTCHKDMTYNU-UHFFFAOYSA-N -2 0 334.372 2.377 20 0 EEADRL CC(C)c1ccc([C@@H](C)CC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cc1 ZINC001603994484 1350823768 /nfs/dbraw/zinc/82/37/68/1350823768.db2.gz HGGDIVTXAUSLLW-NWDGAFQWSA-N -2 0 341.429 2.223 20 0 EEADRL C[C@@H](CC(=O)[O-])CC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001604108950 1350860984 /nfs/dbraw/zinc/86/09/84/1350860984.db2.gz PYKSCVSCGJILAH-SNVBAGLBSA-N -2 0 325.386 2.444 20 0 EEADRL CO[C@H]1CN(C(=O)c2cccc(C(F)(F)F)c2[O-])[C@](C)(C(=O)[O-])C1 ZINC001606765946 1351353819 /nfs/dbraw/zinc/35/38/19/1351353819.db2.gz WZPDMYPQRDLSPM-CLAHSXSESA-N -2 0 347.289 2.115 20 0 EEADRL C[C@H]1CC[C@@](NS(=O)(=O)c2cccc(Cl)c2[O-])(C(=O)[O-])CC1 ZINC001607464599 1351498448 /nfs/dbraw/zinc/49/84/48/1351498448.db2.gz FBEVHWRHSYPINV-KMHCFJFGSA-N -2 0 347.820 2.357 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1noc(C(C)(C)C)n1 ZINC001607519558 1351509598 /nfs/dbraw/zinc/50/95/98/1351509598.db2.gz UWZIONLQCZBTEK-UHFFFAOYSA-N -2 0 339.373 2.175 20 0 EEADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c[nH]nc1C1CC1 ZINC001607533804 1351511965 /nfs/dbraw/zinc/51/19/65/1351511965.db2.gz GIIVGJYSNZLZPS-UHFFFAOYSA-N -2 0 339.348 2.234 20 0 EEADRL Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001607721312 1351546618 /nfs/dbraw/zinc/54/66/18/1351546618.db2.gz SNUGZAFKQDECBW-UHFFFAOYSA-N -2 0 347.352 2.273 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cc(C3CC3)nn2C)cc1C(=O)[O-] ZINC001607810657 1351563672 /nfs/dbraw/zinc/56/36/72/1351563672.db2.gz DYWFBSRCBZROFX-UHFFFAOYSA-N -2 0 335.385 2.105 20 0 EEADRL Cc1nc(S(=O)(=O)[N-]c2c(C(=O)[O-])ccc3ccccc32)c[nH]1 ZINC001607984500 1351597941 /nfs/dbraw/zinc/59/79/41/1351597941.db2.gz CAURPUSTIZOAOU-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL Cc1ncc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)s1 ZINC001607984152 1351598003 /nfs/dbraw/zinc/59/80/03/1351598003.db2.gz TYRQMFIFRYPERG-UHFFFAOYSA-N -2 0 338.410 2.369 20 0 EEADRL Cc1ncnc(C)c1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188279830 1368293528 /nfs/dbraw/zinc/29/35/28/1368293528.db2.gz QLXFMQDBDQWYOM-UHFFFAOYSA-N -2 0 341.776 2.246 20 0 EEADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H]1CCCC[C@@H]1CCC(=O)[O-] ZINC000837295456 1372779388 /nfs/dbraw/zinc/77/93/88/1372779388.db2.gz KYKYWCHODBRUQE-BBBLOLIVSA-N -2 0 331.356 2.280 20 0 EEADRL O=P([O-])([O-])OCCNc1cnc(F)c(OCc2ccccc2)c1 ZINC001168592313 790815666 /nfs/dbraw/zinc/81/56/66/790815666.db2.gz QJKORMURDVTGQK-UHFFFAOYSA-N -2 0 342.263 2.321 20 0 EEADRL O=[P@@]([O-])(O)C1(Nc2ncnc3sncc32)Cc2ccccc2C1 ZINC001167933033 780974549 /nfs/dbraw/zinc/97/45/49/780974549.db2.gz GCPKXXKMQDVZCT-UHFFFAOYSA-N -2 0 348.324 2.171 20 0 EEADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)N3CCCC[C@H]3C(=O)[O-])n2)c1 ZINC000908658948 785613127 /nfs/dbraw/zinc/61/31/27/785613127.db2.gz IWEHDAAENDLCER-LBPRGKRZSA-N -2 0 347.346 2.105 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000910185680 786517505 /nfs/dbraw/zinc/51/75/05/786517505.db2.gz JNHPCRVHVQJEIR-GXSJLCMTSA-N -2 0 345.273 2.095 20 0 EEADRL Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1Cl ZINC000910188245 786520226 /nfs/dbraw/zinc/52/02/26/786520226.db2.gz KHYISHLHKPPZKC-ZYHUDNBSSA-N -2 0 325.748 2.038 20 0 EEADRL O=C(Nc1ccc2[nH]ccc2c1)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148915051 792781833 /nfs/dbraw/zinc/78/18/33/792781833.db2.gz JEFPSMZOGAVSSL-UHFFFAOYSA-N -2 0 332.337 2.373 20 0 EEADRL COc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C)c(N)c1 ZINC001174678182 797830307 /nfs/dbraw/zinc/83/03/07/797830307.db2.gz ZFUPROQJUXJFII-UHFFFAOYSA-N -2 0 336.369 2.085 20 0 EEADRL COc1ccc2nccc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2n1 ZINC001176240235 798391384 /nfs/dbraw/zinc/39/13/84/798391384.db2.gz ZWZPXOKAHSOICU-UHFFFAOYSA-N -2 0 339.307 2.200 20 0 EEADRL O=C([O-])c1cc(Nc2cccc3c2NC(=O)NC3)cc(C(=O)[O-])c1 ZINC001176245047 798393187 /nfs/dbraw/zinc/39/31/87/798393187.db2.gz RLIDKGGESXKVRF-UHFFFAOYSA-N -2 0 327.296 2.462 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2csc3nccnc23)cc1C(=O)[O-] ZINC001184662723 802123809 /nfs/dbraw/zinc/12/38/09/802123809.db2.gz BRVINMVOWWPQRK-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL O=C([O-])CCc1cccc([N-]S(=O)(=O)c2cccc3c2OCO3)c1 ZINC001602043977 971129935 /nfs/dbraw/zinc/12/99/35/971129935.db2.gz BWTSDLBUKVQOJR-UHFFFAOYSA-N -2 0 349.364 2.233 20 0 EEADRL O=C([O-])[C@H](C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)C1CCCC1 ZINC001594838220 954046638 /nfs/dbraw/zinc/04/66/38/954046638.db2.gz WBAWOKDRIWUGQA-LBPRGKRZSA-N -2 0 330.344 2.007 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cncc(Cl)n2)ccc1Cl ZINC001188277402 960552275 /nfs/dbraw/zinc/55/22/75/960552275.db2.gz XAQHJBUHGGUGCM-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198782774 960586317 /nfs/dbraw/zinc/58/63/17/960586317.db2.gz PLKNRJYAPAXNAZ-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL CC[C@@H](C)C[C@@H](NS(=O)(=O)c1cccc(Cl)c1[O-])C(=O)[O-] ZINC001571229107 962613892 /nfs/dbraw/zinc/61/38/92/962613892.db2.gz UOROVUSGDMHZBF-PSASIEDQSA-N -2 0 335.809 2.213 20 0 EEADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000318513372 970440842 /nfs/dbraw/zinc/44/08/42/970440842.db2.gz GVMXGZZYIIVJKQ-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL C[C@H](CNC(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1)C(=O)[O-] ZINC001592660105 978643569 /nfs/dbraw/zinc/64/35/69/978643569.db2.gz MDHQACNDUBEJHE-GFCCVEGCSA-N -2 0 348.399 2.070 20 0 EEADRL CCC(CC)(C(=O)[O-])C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC001595047858 979261526 /nfs/dbraw/zinc/26/15/26/979261526.db2.gz MRWPJGPUGHTNGK-LBPRGKRZSA-N -2 0 339.363 2.076 20 0 EEADRL C[C@@H](CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])s1)C(C)(C)C ZINC001592801013 979463113 /nfs/dbraw/zinc/46/31/13/979463113.db2.gz WCSLSCLAEYJKCJ-QMMMGPOBSA-N -2 0 333.431 2.188 20 0 EEADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC000863954602 979676942 /nfs/dbraw/zinc/67/69/42/979676942.db2.gz GOZOGUCLTOJDPZ-SNVBAGLBSA-N -2 0 327.402 2.189 20 0 EEADRL CC[C@@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001595436152 981068014 /nfs/dbraw/zinc/06/80/14/981068014.db2.gz PGHNHBACUHOODP-BDAKNGLRSA-N -2 0 331.415 2.078 20 0 EEADRL CC[C@H](C(=O)[O-])[S@@](=O)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001594775480 981759332 /nfs/dbraw/zinc/75/93/32/981759332.db2.gz RZBJAGWEWBCQFF-SPSFWMDKSA-N -2 0 337.353 2.152 20 0 EEADRL C[C@]1(C(=O)[O-])[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001599938084 985421195 /nfs/dbraw/zinc/42/11/95/985421195.db2.gz ZREPQBWXJWWNPE-AFCISJDKSA-N -2 0 333.315 2.375 20 0 EEADRL CCO[C@@H]1C[C@@](NC(=O)c2ccc(Cl)c([O-])c2)(C(=O)[O-])C1(C)C ZINC001596829274 985454476 /nfs/dbraw/zinc/45/44/76/985454476.db2.gz YDUPOXRYFDLBFL-MLGOLLRUSA-N -2 0 341.791 2.434 20 0 EEADRL CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)nc1 ZINC001589290867 986030881 /nfs/dbraw/zinc/03/08/81/986030881.db2.gz CPNPDUCDUJSLJV-UHFFFAOYSA-N -2 0 348.380 2.400 20 0 EEADRL CCc1onc(C)c1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC001597816329 989446298 /nfs/dbraw/zinc/44/62/98/989446298.db2.gz TXMWNWSRZVQMMV-RMKNXTFCSA-N -2 0 336.369 2.444 20 0 EEADRL CC(C)(C)c1nsc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)n1 ZINC001590589351 990241209 /nfs/dbraw/zinc/24/12/09/990241209.db2.gz VYMIMXXQTAFWIP-UHFFFAOYSA-N -2 0 347.443 2.396 20 0 EEADRL CC(C)(CS(=O)(=O)[N-][C@@H](C(F)F)C1CCCCC1)C(=O)[O-] ZINC001590798695 990623143 /nfs/dbraw/zinc/62/31/43/990623143.db2.gz AJPMEMDYZPDCLJ-SNVBAGLBSA-N -2 0 327.393 2.231 20 0 EEADRL CC(C)CCCC(=O)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001591228294 992103034 /nfs/dbraw/zinc/10/30/34/992103034.db2.gz AUVGQGRZCRTKQY-UHFFFAOYSA-N -2 0 345.392 2.084 20 0 EEADRL COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1C ZINC001599680109 994966608 /nfs/dbraw/zinc/96/66/08/994966608.db2.gz ZOAGDSREGIJGDW-UHFFFAOYSA-N -2 0 325.342 2.404 20 0 EEADRL COc1ccc(C(=O)[O-])c(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)c1 ZINC001599489951 996920277 /nfs/dbraw/zinc/92/02/77/996920277.db2.gz PVFYXJHOLIBTFO-SNVBAGLBSA-N -2 0 336.344 2.112 20 0 EEADRL COc1cc(C)c([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1F ZINC001599391725 997049899 /nfs/dbraw/zinc/04/98/99/997049899.db2.gz CPHDONRDCUSHKG-UHFFFAOYSA-N -2 0 346.361 2.098 20 0 EEADRL CO[C@@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])[C@@H](C(=O)[O-])C1 ZINC001599120682 997732904 /nfs/dbraw/zinc/73/29/04/997732904.db2.gz PUAAGPHOVCYVSO-LDYMZIIASA-N -2 0 348.182 2.403 20 0 EEADRL Cc1ccc(CSc2nc(NC(=O)c3cc(=O)n(C)[n-]3)n[nH]2)cc1 ZINC001457162254 1109497435 /nfs/dbraw/zinc/49/74/35/1109497435.db2.gz CGTCCWTVQIMIEN-UHFFFAOYSA-N -2 0 344.400 2.097 20 0 EEADRL O=C([O-])CC[C@@H](NC(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000040537322 213341166 /nfs/dbraw/zinc/34/11/66/213341166.db2.gz PPZRCBTVZFPSEU-SECBINFHSA-N -2 0 335.143 2.433 20 0 EEADRL CCn1nc(C)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1C ZINC000266056886 248068274 /nfs/dbraw/zinc/06/82/74/248068274.db2.gz TYFZEBUBUNMSFE-UHFFFAOYSA-N -2 0 337.401 2.327 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(C)C)c1 ZINC000266568912 248364286 /nfs/dbraw/zinc/36/42/86/248364286.db2.gz KUIFBCOFZKQSSG-UHFFFAOYSA-N -2 0 337.401 2.347 20 0 EEADRL COCCS(=O)(=O)[N-]c1cc(Br)cc(Cl)c1[O-] ZINC000270527398 256144824 /nfs/dbraw/zinc/14/48/24/256144824.db2.gz TWYBDMNICBHTDO-UHFFFAOYSA-N -2 0 344.614 2.196 20 0 EEADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2cccs2)c1OC ZINC000342745234 161087484 /nfs/dbraw/zinc/08/74/84/161087484.db2.gz DCIQKIVCKHOMJQ-UHFFFAOYSA-N -2 0 343.382 2.264 20 0 EEADRL Cc1cccc(F)c1S(=O)(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000275248808 269104308 /nfs/dbraw/zinc/10/43/08/269104308.db2.gz LAXVASPCWGAVGE-HAQNSBGRSA-N -2 0 329.393 2.303 20 0 EEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnoc1C1CC1 ZINC000414382866 313007351 /nfs/dbraw/zinc/00/73/51/313007351.db2.gz LVJAFSJBWRMSPZ-UHFFFAOYSA-N -2 0 338.341 2.060 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)nn1C(C)C ZINC000421181215 314061582 /nfs/dbraw/zinc/06/15/82/314061582.db2.gz IAHVWWORICMYPL-UHFFFAOYSA-N -2 0 341.364 2.411 20 0 EEADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccco1 ZINC000437680582 315046721 /nfs/dbraw/zinc/04/67/21/315046721.db2.gz UDFYVJZKAWEEQK-UHFFFAOYSA-N -2 0 331.733 2.441 20 0 EEADRL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000516474918 316561142 /nfs/dbraw/zinc/56/11/42/316561142.db2.gz AZQSXONWPLFQMA-ZETCQYMHSA-N -2 0 341.763 2.397 20 0 EEADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cn(CC)c(C)n1 ZINC000535766591 468328696 /nfs/dbraw/zinc/32/86/96/468328696.db2.gz OISAXTDWCDDRCB-UHFFFAOYSA-N -2 0 337.401 2.273 20 0 EEADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])c1 ZINC000268438962 463744490 /nfs/dbraw/zinc/74/44/90/463744490.db2.gz OXXISDVXRGRSCS-UHFFFAOYSA-N -2 0 341.364 2.177 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)oc32)cs1 ZINC000357354409 465973512 /nfs/dbraw/zinc/97/35/12/465973512.db2.gz GPHDVRMGTIMACK-UHFFFAOYSA-N -2 0 340.338 2.094 20 0 EEADRL Cc1ccsc1S(=O)(=O)[N-]c1cc2c(cc1C(=O)[O-])OCO2 ZINC000361996830 466469422 /nfs/dbraw/zinc/46/94/22/466469422.db2.gz PTMUDINGDCNBTR-UHFFFAOYSA-N -2 0 341.366 2.284 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc(OC)c1 ZINC000315495531 466560919 /nfs/dbraw/zinc/56/09/19/466560919.db2.gz CVXMYJNYZZXKLQ-UHFFFAOYSA-N -2 0 343.382 2.264 20 0 EEADRL COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c(C)c1 ZINC000433528206 467337802 /nfs/dbraw/zinc/33/78/02/467337802.db2.gz LOPLAPXPXTVVFM-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000530648866 467999242 /nfs/dbraw/zinc/99/92/42/467999242.db2.gz CQTKGLYECQOYIR-UHFFFAOYSA-N -2 0 349.364 2.446 20 0 EEADRL CC(C)C[C@H](CNC(=O)NC1CCC(C(=O)[O-])CC1)CC(=O)[O-] ZINC000659406068 471610563 /nfs/dbraw/zinc/61/05/63/471610563.db2.gz KJELYZRBQGBZCK-HIFPTAJRSA-N -2 0 328.409 2.066 20 0 EEADRL C[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653494623 471640320 /nfs/dbraw/zinc/64/03/20/471640320.db2.gz IFXNITBAAQMZHA-LPEHRKFASA-N -2 0 347.383 2.379 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cnn(CC2CC2)c1 ZINC000675628816 486031841 /nfs/dbraw/zinc/03/18/41/486031841.db2.gz QPJVBSBZMBPPCI-UHFFFAOYSA-N -2 0 335.385 2.101 20 0 EEADRL Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(CN(C)C(=O)[O-])cc1 ZINC000738944253 576188925 /nfs/dbraw/zinc/18/89/25/576188925.db2.gz CCZAEODJQSTJAL-UHFFFAOYSA-N -2 0 339.373 2.202 20 0 EEADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cnn(C(F)F)c2)cc1C(=O)[O-] ZINC000766376812 577518099 /nfs/dbraw/zinc/51/80/99/577518099.db2.gz SYNVWGJYKUCIPZ-UHFFFAOYSA-N -2 0 349.290 2.225 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccnn2Cc2ccccc2)o1 ZINC000740187114 578084698 /nfs/dbraw/zinc/08/46/98/578084698.db2.gz GRXMDBHERNFYKD-UHFFFAOYSA-N -2 0 347.352 2.023 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2nc(C)c(C(=O)[O-])s2)cc1 ZINC000737211181 578243801 /nfs/dbraw/zinc/24/38/01/578243801.db2.gz XMEBYVMXOGHHEM-UHFFFAOYSA-N -2 0 342.398 2.349 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cccc1C(=O)[O-] ZINC000314746173 599868080 /nfs/dbraw/zinc/86/80/80/599868080.db2.gz OZRUWCDPCJHAAF-UHFFFAOYSA-N -3 0 341.366 2.254 20 0 EEADRL CCc1csc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)n1 ZINC000830298828 601200545 /nfs/dbraw/zinc/20/05/45/601200545.db2.gz GDSZEWAVONOVLR-UHFFFAOYSA-N -2 0 348.427 2.275 20 0 EEADRL CC(C)c1nc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)c[nH]1 ZINC000827152516 601330466 /nfs/dbraw/zinc/33/04/66/601330466.db2.gz IQIVCEVWUYHWET-UHFFFAOYSA-N -2 0 337.401 2.351 20 0 EEADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1cccc2c1CCCC2 ZINC000833333183 601402927 /nfs/dbraw/zinc/40/29/27/601402927.db2.gz DDAABZBNAHRHMS-UHFFFAOYSA-N -2 0 332.381 2.459 20 0 EEADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cccc2cccnc21 ZINC000833345436 601832649 /nfs/dbraw/zinc/83/26/49/601832649.db2.gz BKDCSEKORBINLM-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL Cc1ccsc1S(=O)(=O)[N-]c1nnc(CCCC(=O)[O-])s1 ZINC000832985277 602105793 /nfs/dbraw/zinc/10/57/93/602105793.db2.gz LPLQHKVIXSUJKH-UHFFFAOYSA-N -2 0 347.443 2.116 20 0 EEADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(F)cc1O ZINC000831946253 602201227 /nfs/dbraw/zinc/20/12/27/602201227.db2.gz PYESGWWEANMKHK-UHFFFAOYSA-N -2 0 347.345 2.100 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000315856988 604700507 /nfs/dbraw/zinc/70/05/07/604700507.db2.gz ONXAPNDBEXVPKF-UHFFFAOYSA-N -2 0 342.354 2.464 20 0 EEADRL Cc1noc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1C ZINC000088245246 604771797 /nfs/dbraw/zinc/77/17/97/604771797.db2.gz LKPBJGYNQGJMMY-UHFFFAOYSA-N -2 0 330.749 2.444 20 0 EEADRL CN(C(=O)c1nn(-c2ccccc2)cc1[O-])C1(C(=O)[O-])CCCCC1 ZINC000833688703 604874453 /nfs/dbraw/zinc/87/44/53/604874453.db2.gz XHDHYHPMHRBNQW-UHFFFAOYSA-N -2 0 343.383 2.437 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2noc(C(C)C)n2)cc1C(=O)[O-] ZINC000833751415 605304154 /nfs/dbraw/zinc/30/41/54/605304154.db2.gz XBMKUMYFJYNWMQ-UHFFFAOYSA-N -2 0 325.346 2.000 20 0 EEADRL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C[C@@H](C)C1 ZINC000833592860 605675494 /nfs/dbraw/zinc/67/54/94/605675494.db2.gz DOQAAHARYXEDFC-MYJAWHEDSA-N -2 0 345.442 2.324 20 0 EEADRL CC(C)(CNS(=O)(=O)c1cccc(C(=O)[O-])c1F)C(F)(F)F ZINC000905205934 694568898 /nfs/dbraw/zinc/56/88/98/694568898.db2.gz NCVXUXIEVMYFCU-UHFFFAOYSA-N -2 0 343.298 2.391 20 0 EEADRL COc1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1F ZINC001185877397 1278844881 /nfs/dbraw/zinc/84/48/81/1278844881.db2.gz JIJAMFFVCNXCOG-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL O=C(NCCOP(=O)([O-])[O-])Nc1cccc(Cl)c1Cl ZINC001189238085 1280192336 /nfs/dbraw/zinc/19/23/36/1280192336.db2.gz XXFDXUVUUPMONJ-UHFFFAOYSA-N -2 0 329.076 2.224 20 0 EEADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cc3ccccn3n2)cc1 ZINC001192116189 1281806086 /nfs/dbraw/zinc/80/60/86/1281806086.db2.gz LLDSBDAGXUTFQG-UHFFFAOYSA-N -2 0 345.380 2.152 20 0 EEADRL O=C([O-])CCC(=O)Nc1ccc(Nc2cc(=O)[n-]c(Cl)n2)cc1 ZINC001213182939 1295934572 /nfs/dbraw/zinc/93/45/72/1295934572.db2.gz QIRPHFMQDRPMIF-UHFFFAOYSA-N -2 0 336.735 2.383 20 0 EEADRL O=S(=O)([O-])c1ccc([O-])c(-c2nc(-c3ccccc3F)no2)c1 ZINC001215454129 1296909302 /nfs/dbraw/zinc/90/93/02/1296909302.db2.gz KDDLXIHOMOGSQC-UHFFFAOYSA-N -2 0 336.300 2.495 20 0 EEADRL COc1ccc(Cn2cc(-c3ccc(P(=O)([O-])[O-])cc3)cn2)cc1 ZINC001240463381 1309332446 /nfs/dbraw/zinc/33/24/46/1309332446.db2.gz MIQJPYKAWNKRAU-UHFFFAOYSA-N -2 0 344.307 2.410 20 0 EEADRL NC(=O)c1ccc2cc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)ccc2n1 ZINC001242164595 1309625468 /nfs/dbraw/zinc/62/54/68/1309625468.db2.gz OIUCDZPEVUCDQX-UHFFFAOYSA-N -2 0 336.303 2.397 20 0 EEADRL O=c1cc(-c2cccc(O)c2)[n-]n1-c1cccc(S(=O)(=O)[O-])c1 ZINC001245939186 1310192612 /nfs/dbraw/zinc/19/26/12/1310192612.db2.gz MGEQRBAJDNLICW-UHFFFAOYSA-N -2 0 332.337 2.197 20 0 EEADRL CCc1cccc(CC)c1NC(=S)NCCOP(=O)([O-])[O-] ZINC001248692831 1310924941 /nfs/dbraw/zinc/92/49/41/1310924941.db2.gz NXFIYBRAZQNLIN-UHFFFAOYSA-N -2 0 332.362 2.207 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n(C2CCC2)n1 ZINC001260222081 1319836559 /nfs/dbraw/zinc/83/65/59/1319836559.db2.gz KKTXBODSYFRJCX-UHFFFAOYSA-N -2 0 335.385 2.416 20 0 EEADRL COc1cccc2c(NCCOP(=O)([O-])[O-])cc(Cl)nc12 ZINC001157787931 1318860530 /nfs/dbraw/zinc/86/05/30/1318860530.db2.gz RDBQGWXWGRKJAN-UHFFFAOYSA-N -2 0 332.680 2.418 20 0 EEADRL O=P([O-])([O-])OCCNc1cc(SCc2ccccc2)ncn1 ZINC001157795451 1318866521 /nfs/dbraw/zinc/86/65/21/1318866521.db2.gz DKACNFNSGAWHIK-UHFFFAOYSA-N -2 0 341.329 2.290 20 0 EEADRL Cc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)cn1 ZINC001259212085 1319487438 /nfs/dbraw/zinc/48/74/38/1319487438.db2.gz FHSNJCAEQXUBGZ-UHFFFAOYSA-N -2 0 345.739 2.077 20 0 EEADRL O=S(=O)([O-])c1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC001259311276 1319522121 /nfs/dbraw/zinc/52/21/21/1319522121.db2.gz PCKSEWNYOXBLBB-UHFFFAOYSA-N -2 0 349.336 2.012 20 0 EEADRL Cc1nc(S(=O)(=O)[N-]c2ccc3[n-]c(=S)sc3c2)cn1C ZINC001260548277 1319910857 /nfs/dbraw/zinc/91/08/57/1319910857.db2.gz OTAVRUPKANCWDS-UHFFFAOYSA-N -2 0 340.455 2.428 20 0 EEADRL O=C([O-])c1ncsc1S(=O)(=O)NCc1ccc(C(F)F)cc1 ZINC001602583492 1350551328 /nfs/dbraw/zinc/55/13/28/1350551328.db2.gz ULPDWWQMWMOJQE-UHFFFAOYSA-N -2 0 348.352 2.257 20 0 EEADRL O=C([O-])c1ccc2c(c1)CCN(C(=O)[C@@]1(C(=O)[O-])CC=CCC1)C2 ZINC001608920698 1351794220 /nfs/dbraw/zinc/79/42/20/1351794220.db2.gz IDFGMWZXKRMEHM-GOSISDBHSA-N -2 0 329.352 2.081 20 0 EEADRL O=C([O-])c1cncc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)c1 ZINC001608983134 1351807824 /nfs/dbraw/zinc/80/78/24/1351807824.db2.gz PKKZQRXVVSGWQT-UHFFFAOYSA-N -2 0 345.336 2.236 20 0 EEADRL CC(C)(C)c1coc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)n1 ZINC001609671090 1352055202 /nfs/dbraw/zinc/05/52/02/1352055202.db2.gz UOVMHLAQSZDTNO-UHFFFAOYSA-N -2 0 338.385 2.400 20 0 EEADRL O=C([O-])CC1(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)CC1 ZINC001335817135 1336431097 /nfs/dbraw/zinc/43/10/97/1336431097.db2.gz HHCLRTJSXQRBSF-UHFFFAOYSA-N -2 0 339.747 2.151 20 0 EEADRL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001609842040 1352098636 /nfs/dbraw/zinc/09/86/36/1352098636.db2.gz ZUBIHTPEZVCOGH-YUMQZZPRSA-N -2 0 342.298 2.238 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cncc(N(C)C)c1 ZINC001600654705 1350109097 /nfs/dbraw/zinc/10/90/97/1350109097.db2.gz NJNISNHIXIPCRC-UHFFFAOYSA-N -2 0 341.414 2.017 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2ccc3ccccc3n2)cc1C(=O)[O-] ZINC001600746753 1350127200 /nfs/dbraw/zinc/12/72/00/1350127200.db2.gz IMVOVZRZDQGNTL-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL O=C([O-])[C@H](C[C@@H]1CCCO1)NC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001601408174 1350277156 /nfs/dbraw/zinc/27/71/56/1350277156.db2.gz BZLKUTIYIQVIHI-KWQFWETISA-N -2 0 347.289 2.163 20 0 EEADRL O=C([O-])[C@H](CNC(=O)c1cc(F)cc(F)c1[O-])c1ccc(F)cc1 ZINC001601458380 1350288527 /nfs/dbraw/zinc/28/85/27/1350288527.db2.gz NHXUDXLWUZNAJA-GFCCVEGCSA-N -2 0 339.269 2.408 20 0 EEADRL O=C([O-])C1=CC[C@@H](NC(=O)c2cc(Br)c(F)cc2[O-])C1 ZINC001601736473 1350351326 /nfs/dbraw/zinc/35/13/26/1350351326.db2.gz ZRZFZLWTIUADQN-SSDOTTSWSA-N -2 0 344.136 2.197 20 0 EEADRL O=C([O-])[C@@H]1CN(C(=O)c2c([O-])cc(F)cc2F)Cc2ccccc21 ZINC001601846092 1350379292 /nfs/dbraw/zinc/37/92/92/1350379292.db2.gz WLKMGHPYJMENKU-GFCCVEGCSA-N -2 0 333.290 2.495 20 0 EEADRL O=C([O-])/C=C\c1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)co1 ZINC001601870843 1350385822 /nfs/dbraw/zinc/38/58/22/1350385822.db2.gz DXEATHONMRPLSF-YSFHWQLDSA-N -2 0 347.367 2.483 20 0 EEADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc(C2=CCCC2)cc1 ZINC001601999002 1350414274 /nfs/dbraw/zinc/41/42/74/1350414274.db2.gz FEIPUHSGJXJKHJ-UHFFFAOYSA-N -2 0 337.397 2.178 20 0 EEADRL O=C([O-])c1cccc2c1CCN(C(=O)c1s[n-]c(=O)c1Cl)C2 ZINC001602457348 1350523487 /nfs/dbraw/zinc/52/34/87/1350523487.db2.gz ORTCCMZQCPRBHU-UHFFFAOYSA-N -2 0 338.772 2.399 20 0 EEADRL O=C([O-])[C@@]1(C(F)(F)F)CCN(C(=O)c2cc(F)c([O-])c(F)c2)C1 ZINC001602622787 1350560120 /nfs/dbraw/zinc/56/01/20/1350560120.db2.gz MSPKVURPUMOZDN-GFCCVEGCSA-N -2 0 339.216 2.150 20 0 EEADRL O=Cc1ccc(-c2ccc(C(=O)N[C@H](CC3CC3)C(=O)[O-])c([O-])c2)o1 ZINC001602664776 1350568683 /nfs/dbraw/zinc/56/86/83/1350568683.db2.gz BVHDCMZDTHFXTH-CQSZACIVSA-N -2 0 343.335 2.448 20 0 EEADRL CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC001603305428 1350683753 /nfs/dbraw/zinc/68/37/53/1350683753.db2.gz BPQZDARLENFFIY-CYBMUJFWSA-N -2 0 349.362 2.336 20 0 EEADRL CC(C)(C)Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)n[nH]1 ZINC001603339165 1350689982 /nfs/dbraw/zinc/68/99/82/1350689982.db2.gz UPFCEVIOLWIDIV-UHFFFAOYSA-N -2 0 327.362 2.090 20 0 EEADRL CC1(CC(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)CCCC1 ZINC001604569517 1350962058 /nfs/dbraw/zinc/96/20/58/1350962058.db2.gz VXPCGWXZJYFAKQ-UHFFFAOYSA-N -2 0 325.386 2.160 20 0 EEADRL CCOc1cccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)c1 ZINC001605707398 1351216530 /nfs/dbraw/zinc/21/65/30/1351216530.db2.gz JMOIFUXPGQUXPX-UHFFFAOYSA-N -2 0 325.342 2.486 20 0 EEADRL COc1cccc([C@H](NC(=O)c2cc(F)c([O-])c(F)c2)C(=O)[O-])c1 ZINC001607331575 1351476108 /nfs/dbraw/zinc/47/61/08/1351476108.db2.gz ZARVIDPMAVHHSO-ZDUSSCGKSA-N -2 0 337.278 2.235 20 0 EEADRL Cc1csc(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)c1C(=O)[O-] ZINC001607931912 1351588340 /nfs/dbraw/zinc/58/83/40/1351588340.db2.gz BFAPURDYNXTAAE-IONNQARKSA-N -2 0 326.374 2.329 20 0 EEADRL Cc1nc(C)c(S(=O)(=O)[N-]c2ncc(C(=O)[O-])cc2Cl)s1 ZINC001607951887 1351591782 /nfs/dbraw/zinc/59/17/82/1351591782.db2.gz GZOYLYOYQMFTHF-UHFFFAOYSA-N -2 0 347.805 2.307 20 0 EEADRL Cn1cc2cccc([N-]S(=O)(=O)c3ccccc3C(=O)[O-])c2n1 ZINC001198780071 1368645456 /nfs/dbraw/zinc/64/54/56/1368645456.db2.gz ZXRZIBMEMRLALM-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL COc1ccc(N(C)C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cc1 ZINC001144939370 790538064 /nfs/dbraw/zinc/53/80/64/790538064.db2.gz XISZHLWDBNULAM-UHFFFAOYSA-N -2 0 340.339 2.030 20 0 EEADRL O=P([O-])([O-])OCCNc1cc(C2(C(F)(F)F)CC2)ccn1 ZINC001168589679 790641279 /nfs/dbraw/zinc/64/12/79/790641279.db2.gz LWMPVJWHYJKWIZ-UHFFFAOYSA-N -2 0 326.211 2.197 20 0 EEADRL C[C@H](C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1ccc(Cl)s1 ZINC000910182344 786514411 /nfs/dbraw/zinc/51/44/11/786514411.db2.gz HFEIALNRERQERS-XHNCKOQMSA-N -2 0 345.804 2.281 20 0 EEADRL Cc1c(Cl)cccc1C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910182739 786515205 /nfs/dbraw/zinc/51/52/05/786515205.db2.gz JGTVEDIHKFUEHX-BXKDBHETSA-N -2 0 325.748 2.038 20 0 EEADRL CCCc1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])sc1C ZINC000910186850 786519563 /nfs/dbraw/zinc/51/95/63/786519563.db2.gz VPHXMKFQFZFSSD-RYUDHWBXSA-N -2 0 339.413 2.399 20 0 EEADRL C[C@H](CC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1cccc(F)c1 ZINC000910188535 786521256 /nfs/dbraw/zinc/52/12/56/786521256.db2.gz KYXXQWGUNVRCHN-SCDSUCTJSA-N -2 0 337.347 2.096 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)Cc2ccc3ccccc3c2)C1 ZINC000910191167 786522971 /nfs/dbraw/zinc/52/29/71/786522971.db2.gz YAXVQSPDLOSTQA-HOTGVXAUSA-N -2 0 341.363 2.159 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3oc(=O)ccc3c2)cc1 ZINC000057119902 789552245 /nfs/dbraw/zinc/55/22/45/789552245.db2.gz WAIJDKYAIYUEMM-UHFFFAOYSA-N -2 0 345.332 2.292 20 0 EEADRL CC(C)c1cccc(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])n1 ZINC001148915703 792783190 /nfs/dbraw/zinc/78/31/90/792783190.db2.gz ZFPMELAOPPECPX-UHFFFAOYSA-N -2 0 336.369 2.410 20 0 EEADRL CN1C(=O)NCc2cc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)ccc21 ZINC001176244771 798392904 /nfs/dbraw/zinc/39/29/04/798392904.db2.gz ODSMLEIVFMNAFZ-UHFFFAOYSA-N -2 0 341.323 2.486 20 0 EEADRL Cc1cccc(C2(CC(=O)NCCOP(=O)([O-])[O-])CCC2)c1 ZINC001185093397 802326577 /nfs/dbraw/zinc/32/65/77/802326577.db2.gz ODBDQKCEXBEERH-UHFFFAOYSA-N -2 0 327.317 2.032 20 0 EEADRL O=C([O-])c1cccnc1[N-]S(=O)(=O)c1ccc(OC2CC2)cc1 ZINC001595262500 949693694 /nfs/dbraw/zinc/69/36/94/949693694.db2.gz HPRCOTZAEVVMOQ-UHFFFAOYSA-N -2 0 334.353 2.122 20 0 EEADRL C[C@@H](S[C@@H](C)C(=O)Nc1cccc(CCC(=O)[O-])c1)C(=O)[O-] ZINC001589168412 956441688 /nfs/dbraw/zinc/44/16/88/956441688.db2.gz BLDYCAZMVQRDPR-VHSXEESVSA-N -2 0 325.386 2.237 20 0 EEADRL CC(C)c1nnc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)o1 ZINC001188272682 960551148 /nfs/dbraw/zinc/55/11/48/960551148.db2.gz MNVJVTQTUZLIIE-UHFFFAOYSA-N -2 0 345.764 2.345 20 0 EEADRL CC(C)Cc1ccc(S(=O)(=O)[N-]c2c(C(=O)[O-])cnn2C)cc1 ZINC000319771319 970570550 /nfs/dbraw/zinc/57/05/50/970570550.db2.gz ADPFREIUNQAHQZ-UHFFFAOYSA-N -2 0 337.401 2.118 20 0 EEADRL CC(C)c1ccc([N-]S(=O)(=O)c2scnc2C(=O)[O-])cn1 ZINC001591974402 976588459 /nfs/dbraw/zinc/58/84/59/976588459.db2.gz VMJKDYBGFOXILR-UHFFFAOYSA-N -2 0 327.387 2.161 20 0 EEADRL C[C@@H](CC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C1CCCCC1 ZINC001592260272 977501351 /nfs/dbraw/zinc/50/13/51/977501351.db2.gz YUCUDUPCCPHFJO-JTQLQIEISA-N -2 0 343.401 2.389 20 0 EEADRL C[C@H](CNC(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12)C(=O)[O-] ZINC001592682729 979107039 /nfs/dbraw/zinc/10/70/39/979107039.db2.gz RFERLWHJYAPQLG-SNVBAGLBSA-N -2 0 346.339 2.145 20 0 EEADRL CC[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001595035775 979188363 /nfs/dbraw/zinc/18/83/63/979188363.db2.gz KJCNWCKQNIPIQY-SNVBAGLBSA-N -2 0 331.390 2.163 20 0 EEADRL CC[C@](C)([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC001594853024 982103751 /nfs/dbraw/zinc/10/37/51/982103751.db2.gz CTNRKWBLUGRJLU-NSHDSACASA-N -2 0 327.736 2.150 20 0 EEADRL CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nn2)cc1 ZINC001595014654 982955081 /nfs/dbraw/zinc/95/50/81/982955081.db2.gz WWTSZKCVRVAJPU-JTQLQIEISA-N -2 0 335.385 2.489 20 0 EEADRL CCCn1nccc1[N-]S(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC001596126038 983464146 /nfs/dbraw/zinc/46/41/46/983464146.db2.gz SGUCPKSWTJUTDN-UHFFFAOYSA-N -2 0 329.403 2.162 20 0 EEADRL CC(=O)c1[nH]c(CC(=O)[N-]OCc2ccc(F)cc2)c(C(=O)[O-])c1C ZINC001589243488 985839770 /nfs/dbraw/zinc/83/97/70/985839770.db2.gz UKGWWMWIHXNWDQ-UHFFFAOYSA-N -2 0 348.330 2.154 20 0 EEADRL CSCCCCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC001599797398 988119098 /nfs/dbraw/zinc/11/90/98/988119098.db2.gz HXPKNLVGFQKVJV-UHFFFAOYSA-N -2 0 345.442 2.031 20 0 EEADRL CCc1ccncc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1 ZINC001597623208 988570222 /nfs/dbraw/zinc/57/02/22/988570222.db2.gz SMDGSYZBVTVJCA-UHFFFAOYSA-N -2 0 336.369 2.152 20 0 EEADRL CCn1ncc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC001597957454 989971861 /nfs/dbraw/zinc/97/18/61/989971861.db2.gz VZYQMOSWORWQQE-UHFFFAOYSA-N -2 0 337.401 2.327 20 0 EEADRL CC(C)(SCC(=O)[O-])C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001590906867 990871675 /nfs/dbraw/zinc/87/16/75/990871675.db2.gz HYMJALVAIQQCHB-UHFFFAOYSA-N -2 0 333.312 2.198 20 0 EEADRL CC(C)C[C@H](CNC(=O)Nc1cccc(F)c1C(=O)[O-])C(=O)[O-] ZINC001591150873 991894550 /nfs/dbraw/zinc/89/45/50/991894550.db2.gz PGSCTZRQYLIUDA-SECBINFHSA-N -2 0 326.324 2.392 20 0 EEADRL C[C@]1(C(=O)[O-])CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C1 ZINC001593776316 996477043 /nfs/dbraw/zinc/47/70/43/996477043.db2.gz JWQRIMUGMMYXHI-KRWDZBQOSA-N -2 0 347.346 2.044 20 0 EEADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc2c1CCO2 ZINC001599383748 996906501 /nfs/dbraw/zinc/90/65/01/996906501.db2.gz KICFWHRGSPFJND-UHFFFAOYSA-N -2 0 349.364 2.129 20 0 EEADRL C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cc(Br)c(F)cc1[O-] ZINC001594159139 998591907 /nfs/dbraw/zinc/59/19/07/998591907.db2.gz PPZNSEYKYNDDQM-RQJHMYQMSA-N -2 0 346.152 2.229 20 0 EEADRL C[C@@H]1CCC[C@@]1(C)C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001594356264 999345600 /nfs/dbraw/zinc/34/56/00/999345600.db2.gz APQBHNXRGZTZOM-BDJLRTHQSA-N -2 0 339.413 2.157 20 0 EEADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](CCC(=O)[O-])c1ccccc1 ZINC000275377829 539703951 /nfs/dbraw/zinc/70/39/51/539703951.db2.gz ZJJXPSYZSOOVMF-ONGXEEELSA-N -2 0 339.335 2.463 20 0 EEADRL O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)c1cc(F)c(F)c([O-])c1F)C2 ZINC000263377771 304167672 /nfs/dbraw/zinc/16/76/72/304167672.db2.gz BCYHRYKULOVYFQ-NZFNHWASSA-N -2 0 329.274 2.136 20 0 EEADRL O=C([O-])C[C@H](NC(=O)c1ccc2n[nH]nc2c1)c1ccc(F)cc1 ZINC000117107095 152070166 /nfs/dbraw/zinc/07/01/66/152070166.db2.gz KCUCNZDIRMSUJC-ZDUSSCGKSA-N -2 0 328.303 2.043 20 0 EEADRL CO[C@@H](C)c1nc(=NC(=O)c2c[n-]c3ccc(C)cc3c2=O)s[n-]1 ZINC000357696743 153293623 /nfs/dbraw/zinc/29/36/23/153293623.db2.gz NDWGSHLZQPJTLC-VIFPVBQESA-N -2 0 344.396 2.070 20 0 EEADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2)c1 ZINC000341661950 161004007 /nfs/dbraw/zinc/00/40/07/161004007.db2.gz UYQLPVGJMDSIJD-UHFFFAOYSA-N -2 0 349.393 2.433 20 0 EEADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccco1 ZINC000358856987 164001075 /nfs/dbraw/zinc/00/10/75/164001075.db2.gz ORUNDINKISRVSF-UHFFFAOYSA-N -2 0 325.342 2.106 20 0 EEADRL CC(C)c1ncc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cn1 ZINC000279855883 269311981 /nfs/dbraw/zinc/31/19/81/269311981.db2.gz JOCGKVGFLBHYNC-UHFFFAOYSA-N -2 0 327.387 2.161 20 0 EEADRL CCc1ncsc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000437822401 315053845 /nfs/dbraw/zinc/05/38/45/315053845.db2.gz OVSGBIIQRCDOER-UHFFFAOYSA-N -2 0 331.357 2.016 20 0 EEADRL CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1O ZINC000573164575 319909780 /nfs/dbraw/zinc/90/97/80/319909780.db2.gz AKIBFELGBJVTEM-UHFFFAOYSA-N -2 0 349.364 2.023 20 0 EEADRL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000576403424 320168771 /nfs/dbraw/zinc/16/87/71/320168771.db2.gz URJWTTZZJGSBLE-LURJTMIESA-N -2 0 343.298 2.165 20 0 EEADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000339409295 465250694 /nfs/dbraw/zinc/25/06/94/465250694.db2.gz GDCJACXKYAPDEO-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL CC(C)C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000263552956 464127541 /nfs/dbraw/zinc/12/75/41/464127541.db2.gz MGGOMSXIMGTFPB-SECBINFHSA-N -2 0 341.763 2.396 20 0 EEADRL Cc1noc(C)c1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000338125986 465835649 /nfs/dbraw/zinc/83/56/49/465835649.db2.gz RYEZWHCNIBWWBV-UHFFFAOYSA-N -2 0 328.321 2.238 20 0 EEADRL CCn1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cn1 ZINC000317372942 466580018 /nfs/dbraw/zinc/58/00/18/466580018.db2.gz KGGIBGKOFQUNIB-UHFFFAOYSA-N -2 0 343.792 2.364 20 0 EEADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2cccn2C)cc1)C(=O)[O-] ZINC000414161928 467384759 /nfs/dbraw/zinc/38/47/59/467384759.db2.gz GKAXQWBTTUURAZ-ZDUSSCGKSA-N -2 0 336.413 2.479 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)cnc1Cl ZINC000738478450 578016670 /nfs/dbraw/zinc/01/66/70/578016670.db2.gz SNQDEHGIUDTDKH-UHFFFAOYSA-N -2 0 342.760 2.248 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)nnc1C ZINC000738463641 578016200 /nfs/dbraw/zinc/01/62/00/578016200.db2.gz NVAKMJDMWKLGFS-UHFFFAOYSA-N -2 0 341.776 2.246 20 0 EEADRL CCCn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cn1 ZINC000768504810 577557251 /nfs/dbraw/zinc/55/72/51/577557251.db2.gz OVXFTYUBNRGCHT-UHFFFAOYSA-N -2 0 343.792 2.446 20 0 EEADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(F)ccc2O)c1F ZINC000759165457 577638294 /nfs/dbraw/zinc/63/82/94/577638294.db2.gz MHACROXYNDDQNY-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)c1C(=O)[O-] ZINC000738604121 578020975 /nfs/dbraw/zinc/02/09/75/578020975.db2.gz CLQMQIQSZGOAEW-UHFFFAOYSA-N -2 0 329.765 2.179 20 0 EEADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736964426 578231586 /nfs/dbraw/zinc/23/15/86/578231586.db2.gz FGLLEJUSONQBID-SNVBAGLBSA-N -2 0 328.390 2.272 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)o1 ZINC000314325317 599734867 /nfs/dbraw/zinc/73/48/67/599734867.db2.gz IFZREATUZNXDIU-UHFFFAOYSA-N -2 0 333.268 2.380 20 0 EEADRL O=C([O-])Cc1csc([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)n1 ZINC000833270076 601359455 /nfs/dbraw/zinc/35/94/55/601359455.db2.gz WJISLJVWFNCFPR-WAYWQWQTSA-N -2 0 342.373 2.322 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cn(CC(C)C)cn2)sc1C(=O)[O-] ZINC000832899817 601387333 /nfs/dbraw/zinc/38/73/33/601387333.db2.gz RHIVYLRBDHVSPU-UHFFFAOYSA-N -2 0 343.430 2.408 20 0 EEADRL Cc1cc(Cl)cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c1O ZINC000832886413 601485104 /nfs/dbraw/zinc/48/51/04/601485104.db2.gz NMAJDCGEZMQCTD-UHFFFAOYSA-N -2 0 348.789 2.310 20 0 EEADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cc(F)c(F)c(F)c1 ZINC000833345063 601485501 /nfs/dbraw/zinc/48/55/01/601485501.db2.gz JWHHKTOCRQKKLL-UHFFFAOYSA-N -2 0 338.288 2.059 20 0 EEADRL CCCc1nnc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)s1 ZINC000829574413 601503529 /nfs/dbraw/zinc/50/35/29/601503529.db2.gz YUBACSHNVBVBSR-UHFFFAOYSA-N -2 0 333.416 2.051 20 0 EEADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(C)nc1C ZINC000831945060 601771388 /nfs/dbraw/zinc/77/13/88/601771388.db2.gz FBXVEOYONHZEPV-UHFFFAOYSA-N -2 0 342.398 2.268 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2cc(CC(C)C)[nH]n2)c1C(=O)[O-] ZINC000832972586 602306722 /nfs/dbraw/zinc/30/67/22/602306722.db2.gz GXXWTGQRZAMHCY-UHFFFAOYSA-N -2 0 337.401 2.416 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)nc1C ZINC000833682859 604510208 /nfs/dbraw/zinc/51/02/08/604510208.db2.gz BDXZKSQKQYAHOV-UHFFFAOYSA-N -2 0 342.352 2.241 20 0 EEADRL CCc1nc([N-]S(=O)(=O)CCc2ccccc2)sc1C(=O)[O-] ZINC000833674989 604991053 /nfs/dbraw/zinc/99/10/53/604991053.db2.gz KISXNFFVVDVZAU-UHFFFAOYSA-N -2 0 340.426 2.388 20 0 EEADRL CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nc2)c1 ZINC000833636303 605167927 /nfs/dbraw/zinc/16/79/27/605167927.db2.gz NMDPZPTWUIFOQE-UHFFFAOYSA-N -2 0 334.353 2.173 20 0 EEADRL O=C([O-])C[C@H]1CCCCN1C(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000909496303 684190066 /nfs/dbraw/zinc/19/00/66/684190066.db2.gz CRWOQFJQJHIMIX-GFCCVEGCSA-N -2 0 347.346 2.186 20 0 EEADRL CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C)cc1 ZINC000863953154 1197936709 /nfs/dbraw/zinc/93/67/09/1197936709.db2.gz OCQPZNRTCNRAGI-ZDUSSCGKSA-N -2 0 341.429 2.191 20 0 EEADRL CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C(CC)(CC)C(=O)[O-] ZINC000863962735 1197938506 /nfs/dbraw/zinc/93/85/06/1197938506.db2.gz VPUITSOCKZBCNJ-ZDUSSCGKSA-N -2 0 341.429 2.475 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1O ZINC001185905963 1278842003 /nfs/dbraw/zinc/84/20/03/1278842003.db2.gz HLLUCXRVOQLYKC-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL Cc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)n1 ZINC001187547579 1279579121 /nfs/dbraw/zinc/57/91/21/1279579121.db2.gz BLSKIWQWGBMQEO-UHFFFAOYSA-N -2 0 342.760 2.248 20 0 EEADRL Cc1c(Nc2ccc(C(=O)NCC(=O)[O-])cc2)cccc1C(=O)[O-] ZINC001216662811 1297247826 /nfs/dbraw/zinc/24/78/26/1297247826.db2.gz IJAVWWKACVTBMV-UHFFFAOYSA-N -2 0 328.324 2.251 20 0 EEADRL O=C([O-])Cc1nccnc1-c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC001222597125 1299715621 /nfs/dbraw/zinc/71/56/21/1299715621.db2.gz JRDYHSAMBUPXRI-UHFFFAOYSA-N -2 0 326.230 2.488 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cnc(OC(F)(F)F)cn2)c1 ZINC001242160827 1309622398 /nfs/dbraw/zinc/62/23/98/1309622398.db2.gz RGRJPBQVSMHFSQ-UHFFFAOYSA-N -2 0 328.202 2.439 20 0 EEADRL CCOC(=O)c1cc(C)nc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242159347 1309622565 /nfs/dbraw/zinc/62/25/65/1309622565.db2.gz IMPWOHQZMIXGED-UHFFFAOYSA-N -2 0 330.296 2.025 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3ccco3)no2)cc1 ZINC001260222217 1319837466 /nfs/dbraw/zinc/83/74/66/1319837466.db2.gz RBWKFHUAOVBWTF-UHFFFAOYSA-N -2 0 334.309 2.434 20 0 EEADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[O-])cc2)c1 ZINC001259638099 1319636365 /nfs/dbraw/zinc/63/63/65/1319636365.db2.gz NJEIKVXIBAUYAL-UHFFFAOYSA-N -2 0 345.373 2.182 20 0 EEADRL Cn1cnc2c1cccc2[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260190958 1319820907 /nfs/dbraw/zinc/82/09/07/1319820907.db2.gz PDCQOZZYZOWPGS-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL CC(C)Cn1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC001260210715 1319832904 /nfs/dbraw/zinc/83/29/04/1319832904.db2.gz WORQRZPOOFIVTK-UHFFFAOYSA-N -2 0 341.364 2.177 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc3oncc3c2)c1 ZINC001260215586 1319834745 /nfs/dbraw/zinc/83/47/45/1319834745.db2.gz JVOYBQZRMMWDHV-UHFFFAOYSA-N -2 0 336.300 2.466 20 0 EEADRL CS(=O)(=O)c1cc(-c2c(C(=O)[O-])cccc2C(=O)[O-])ccc1F ZINC001205271138 1322337641 /nfs/dbraw/zinc/33/76/41/1322337641.db2.gz FQQDMSFRWVBSSP-UHFFFAOYSA-N -2 0 338.312 2.293 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1O ZINC000390692279 1322819419 /nfs/dbraw/zinc/81/94/19/1322819419.db2.gz BBRJYGYLZMAVAO-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL O=C([O-])[C@@H](Cc1ccc(F)cc1)NC(=O)c1c([O-])cc(F)cc1F ZINC001608488184 1351703183 /nfs/dbraw/zinc/70/31/83/1351703183.db2.gz TZKQZYQBAPCMSR-GFCCVEGCSA-N -2 0 339.269 2.235 20 0 EEADRL CCCC[C@H](CC)C(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001605236059 1351112366 /nfs/dbraw/zinc/11/23/66/1351112366.db2.gz BFGZLMZYBFHDHL-BBYOUEMTSA-N -2 0 325.405 2.227 20 0 EEADRL O=C([O-])C1(CS(=O)(=O)[N-]c2cc(F)cc(F)c2[O-])CCCC1 ZINC001608575042 1351719496 /nfs/dbraw/zinc/71/94/96/1351719496.db2.gz WVMBHWHYNRCGSE-UHFFFAOYSA-N -3 0 335.328 2.057 20 0 EEADRL O=C([O-])[C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])CC2)c2ccccc21 ZINC001608597099 1351722779 /nfs/dbraw/zinc/72/27/79/1351722779.db2.gz CTMJHJNNPCFECO-LWWSYDQCSA-N -2 0 331.368 2.307 20 0 EEADRL O=C([O-])[C@@H]1CCC[C@H](C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)C1 ZINC001608621331 1351727914 /nfs/dbraw/zinc/72/79/14/1351727914.db2.gz HHGQKMKQYGOMJX-ZOWXZIJZSA-N -2 0 331.368 2.088 20 0 EEADRL O=C([O-])[C@H]1CCCCCN1Cc1ncc(Br)cc1[O-] ZINC001608628997 1351729214 /nfs/dbraw/zinc/72/92/14/1351729214.db2.gz LIKAFRQOTFZDPH-LLVKDONJSA-N -2 0 329.194 2.379 20 0 EEADRL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2cccc(C3CC3)n2)c1 ZINC001608787844 1351763655 /nfs/dbraw/zinc/76/36/55/1351763655.db2.gz NJMCVBYGJYHYSP-UHFFFAOYSA-N -2 0 332.381 2.387 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CC23CCC3)cc1Cl ZINC001608910998 1351792002 /nfs/dbraw/zinc/79/20/02/1351792002.db2.gz SQVSIOSMBUKTOB-SNVBAGLBSA-N -2 0 343.788 2.033 20 0 EEADRL O=C([O-])[C@]12CN(C(=O)c3s[n-]c(=O)c3Cl)C[C@H]1CCCC2 ZINC001609031163 1351819442 /nfs/dbraw/zinc/81/94/42/1351819442.db2.gz SJHUPHUPPRBRCT-FUXBKTLASA-N -2 0 330.793 2.219 20 0 EEADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1cccc2ccsc21 ZINC001609638869 1352048179 /nfs/dbraw/zinc/04/81/79/1352048179.db2.gz NLHVAHMGASWLAR-DTWKUNHWSA-N -2 0 341.410 2.070 20 0 EEADRL CC(C)(C)[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C(F)(F)F ZINC001609654359 1352051112 /nfs/dbraw/zinc/05/11/12/1352051112.db2.gz RWBRMLWCBRVXLB-QMMMGPOBSA-N -2 0 346.352 2.097 20 0 EEADRL CC[C@@H](CC(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)C(C)C ZINC001609912506 1352118629 /nfs/dbraw/zinc/11/86/29/1352118629.db2.gz JACKGBCJZYUJNO-ZDUSSCGKSA-N -2 0 341.429 2.403 20 0 EEADRL CCC(CC)CS(=O)(=O)[N-]C(=O)CCc1ccccc1C(=O)[O-] ZINC001609917112 1352118908 /nfs/dbraw/zinc/11/89/08/1352118908.db2.gz RCMMHKHKEIHBCU-UHFFFAOYSA-N -2 0 341.429 2.200 20 0 EEADRL CCc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)o1 ZINC001610069132 1352154273 /nfs/dbraw/zinc/15/42/73/1352154273.db2.gz MROWYENUXYCYNL-UHFFFAOYSA-N -2 0 330.749 2.389 20 0 EEADRL Cc1c(NC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)ccc(F)c1C(=O)[O-] ZINC001610421039 1352219804 /nfs/dbraw/zinc/21/98/04/1352219804.db2.gz LLZWMROTYNAUMJ-WCBMZHEXSA-N -2 0 338.335 2.407 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc1C(=O)[O-] ZINC001610563994 1352245749 /nfs/dbraw/zinc/24/57/49/1352245749.db2.gz VVLBTCGUIISEQG-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL O=C([O-])c1c(C2CC2)csc1NC(=O)C(=O)[N-]OCCC1CC1 ZINC001610699673 1352261787 /nfs/dbraw/zinc/26/17/87/1352261787.db2.gz HINVBAFCJIHQML-UHFFFAOYSA-N -2 0 338.385 2.110 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)o1 ZINC001610839753 1352283263 /nfs/dbraw/zinc/28/32/63/1352283263.db2.gz BIVCGYJIGKUNOP-UHFFFAOYSA-N -2 0 337.140 2.480 20 0 EEADRL O=C([O-])c1nccc2c1cccc2S(=O)(=O)[N-]c1ccc(F)nc1 ZINC001610869590 1352288161 /nfs/dbraw/zinc/28/81/61/1352288161.db2.gz IARNOZCQBQHOHF-UHFFFAOYSA-N -2 0 347.327 2.268 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2cncc(C(C)C)c2)cc1C(=O)[O-] ZINC001600747774 1350127008 /nfs/dbraw/zinc/12/70/08/1350127008.db2.gz UCERZDNFLCJKDF-UHFFFAOYSA-N -2 0 335.385 2.407 20 0 EEADRL O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)c3cc(F)cc(Cl)c3[O-])[C@@H]2C1 ZINC001601577803 1350311131 /nfs/dbraw/zinc/31/11/31/1350311131.db2.gz CUPSDAVFCZYZOH-MJYNKWILSA-N -2 0 327.739 2.414 20 0 EEADRL O=C([O-])C1(CS(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)CC1 ZINC001601711837 1350345368 /nfs/dbraw/zinc/34/53/68/1350345368.db2.gz ATEUCRGRCHSMJX-SNVBAGLBSA-N -2 0 337.319 2.074 20 0 EEADRL O=C([O-])/C=C/c1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)co1 ZINC001601870801 1350385861 /nfs/dbraw/zinc/38/58/61/1350385861.db2.gz DMAUVQDZQPGZSF-OVAUNBAOSA-N -2 0 333.340 2.093 20 0 EEADRL O=C([O-])C[C@H]1CCCN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C1 ZINC001601952394 1350404277 /nfs/dbraw/zinc/40/42/77/1350404277.db2.gz QYHNQBQTLQSKOF-MRVPVSSYSA-N -2 0 342.298 2.382 20 0 EEADRL O=C([O-])CCN(CC(=O)[O-])C(=O)c1ccc(OC2CCCC2)cc1 ZINC001602004990 1350416248 /nfs/dbraw/zinc/41/62/48/1350416248.db2.gz RVAXZWUCUNRNNF-UHFFFAOYSA-N -2 0 335.356 2.010 20 0 EEADRL O=C([O-])[C@@H]1C[C@H](NC(=O)C2(C(=O)[O-])CCSCC2)c2ccccc21 ZINC001602197592 1350463435 /nfs/dbraw/zinc/46/34/35/1350463435.db2.gz MZWNLZOTFIZUTQ-OLZOCXBDSA-N -2 0 349.408 2.014 20 0 EEADRL O=C([O-])[C@]12CN(C(=O)c3cc(F)cc(F)c3[O-])C[C@H]1CCCC2 ZINC001602622731 1350559984 /nfs/dbraw/zinc/55/99/84/1350559984.db2.gz KKOPKNSVFZFYBY-JDNHERCYSA-N -2 0 325.311 2.387 20 0 EEADRL CC(C)c1ccc([C@H](C)CC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cc1 ZINC001603994486 1350823884 /nfs/dbraw/zinc/82/38/84/1350823884.db2.gz HGGDIVTXAUSLLW-VXGBXAGGSA-N -2 0 341.429 2.223 20 0 EEADRL CC(C)c1cncc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC001604012185 1350829403 /nfs/dbraw/zinc/82/94/03/1350829403.db2.gz HONNTDWKULIEAP-UHFFFAOYSA-N -2 0 327.387 2.161 20 0 EEADRL CC1(C)CCC[C@@H](CC(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC001604527983 1350955435 /nfs/dbraw/zinc/95/54/35/1350955435.db2.gz DMWLSWLWVNMDSO-JTQLQIEISA-N -2 0 343.401 2.389 20 0 EEADRL CC1(C)CCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001604532827 1350956641 /nfs/dbraw/zinc/95/66/41/1350956641.db2.gz GTKFFEDWRLFUNC-CYBMUJFWSA-N -2 0 339.413 2.157 20 0 EEADRL CCC(CC)(C(=O)[O-])C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC001604987582 1351046905 /nfs/dbraw/zinc/04/69/05/1351046905.db2.gz VWNYFPCKSGWUGF-UHFFFAOYSA-N -2 0 328.390 2.380 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(SC)n1 ZINC001605885827 1351246811 /nfs/dbraw/zinc/24/68/11/1351246811.db2.gz XVQOMUHQCBMUNJ-UHFFFAOYSA-N -2 0 342.398 2.458 20 0 EEADRL O=C(CSCc1ccc(-c2nn[nH]n2)cc1)[N-]OC1CCCCC1 ZINC001606582129 1351325797 /nfs/dbraw/zinc/32/57/97/1351325797.db2.gz VDVKDXRDBXUXIJ-UHFFFAOYSA-N -2 0 347.444 2.480 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)c(F)c1 ZINC001607289634 1351465740 /nfs/dbraw/zinc/46/57/40/1351465740.db2.gz CECJFHDSVSUXDF-UHFFFAOYSA-N -2 0 331.346 2.395 20 0 EEADRL Cc1c(NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])ccc(F)c1C(=O)[O-] ZINC001607538006 1351512477 /nfs/dbraw/zinc/51/24/77/1351512477.db2.gz FVYFXLZCPYSLAA-SFYZADRCSA-N -2 0 329.349 2.366 20 0 EEADRL Cc1ccc(C)c(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC001607763358 1351553942 /nfs/dbraw/zinc/55/39/42/1351553942.db2.gz KFZPFIQJFHXBND-UHFFFAOYSA-N -2 0 339.394 2.182 20 0 EEADRL Cc1ccsc1C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001607899145 1351581952 /nfs/dbraw/zinc/58/19/52/1351581952.db2.gz KMNAPJHKEGTBKH-UHFFFAOYSA-N -2 0 339.394 2.015 20 0 EEADRL Cc1csc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC001607923680 1351586540 /nfs/dbraw/zinc/58/65/40/1351586540.db2.gz QZBDTPMAZHUPDD-UHFFFAOYSA-N -2 0 341.366 2.284 20 0 EEADRL O=C([O-])[C@@H](NC(=O)c1cccc(F)c1[O-])c1cc(F)ccc1F ZINC001608384995 1351682975 /nfs/dbraw/zinc/68/29/75/1351682975.db2.gz JHEIWJGVFYEJJR-LBPRGKRZSA-N -2 0 325.242 2.365 20 0 EEADRL O=C([O-])[C@H](CC(F)(F)F)NC(=O)c1cc(F)cc(Cl)c1[O-] ZINC001608391016 1351684926 /nfs/dbraw/zinc/68/49/26/1351684926.db2.gz GJTOUDISFHNZMG-ZETCQYMHSA-N -2 0 329.633 2.320 20 0 EEADRL O=C([O-])[C@H](F)C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000837295761 1372779615 /nfs/dbraw/zinc/77/96/15/1372779615.db2.gz FATKOPFCMMTWMK-SSDOTTSWSA-N -2 0 349.689 2.060 20 0 EEADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H]1C[C@@H](CCC(=O)[O-])C1(C)C ZINC000849457520 1373259553 /nfs/dbraw/zinc/25/95/53/1373259553.db2.gz HAFSUOKMSRLYGL-HLTSFMKQSA-N -2 0 331.356 2.136 20 0 EEADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)N(CCC(=O)[O-])C3CC3)n2)c1 ZINC000908871438 785785791 /nfs/dbraw/zinc/78/57/91/785785791.db2.gz RGMXRRIRYWKSIJ-UHFFFAOYSA-N -2 0 347.346 2.105 20 0 EEADRL O=C([O-])[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CC2CC(c3ccccc3)C2)C1 ZINC000910182735 786514670 /nfs/dbraw/zinc/51/46/70/786514670.db2.gz JGAJXSVPTWFXHB-LVBITLCTSA-N -2 0 345.395 2.347 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)/C=C/c2ccc(Cl)s2)C1 ZINC000910183266 786515978 /nfs/dbraw/zinc/51/59/78/786515978.db2.gz MMALQUMNYFACCF-CSCDDPPWSA-N -2 0 343.788 2.191 20 0 EEADRL C[C@H](CCC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000910184688 786516486 /nfs/dbraw/zinc/51/64/86/786516486.db2.gz RNNUKVCLFSRMFR-VHDGCEQUSA-N -2 0 333.384 2.347 20 0 EEADRL O=C(Nc1ccc2ccncc2c1)c1cc(S(=O)(=O)[O-])ccc1[O-] ZINC001148926917 792814683 /nfs/dbraw/zinc/81/46/83/792814683.db2.gz VEHDQXIBYAIDOA-UHFFFAOYSA-N -2 0 344.348 2.439 20 0 EEADRL CCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cn1 ZINC000032595284 796411641 /nfs/dbraw/zinc/41/16/41/796411641.db2.gz QGYNZSILIDCWDC-UHFFFAOYSA-N -2 0 329.765 2.055 20 0 EEADRL O=C([O-])c1cc(Nc2cnn3c2OCC2(CC2)C3)cc(C(=O)[O-])c1 ZINC001176236729 798389923 /nfs/dbraw/zinc/38/99/23/798389923.db2.gz DFNVXQCHWRXIPH-UHFFFAOYSA-N -2 0 329.312 2.196 20 0 EEADRL Cc1cc(C(=O)Nc2c[nH]c3ccccc23)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001179047217 799749271 /nfs/dbraw/zinc/74/92/71/799749271.db2.gz FPEQZTLIUJLFSF-UHFFFAOYSA-N -2 0 335.323 2.478 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cnn3cc(F)ccc23)cc1C(=O)[O-] ZINC001184669744 802104890 /nfs/dbraw/zinc/10/48/90/802104890.db2.gz HOMFUQOEQRGMSR-UHFFFAOYSA-N -2 0 349.343 2.281 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2)cc1C(=O)[O-] ZINC001185269688 802429688 /nfs/dbraw/zinc/42/96/88/802429688.db2.gz RYHHWZLAWOPHJI-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL CCOC(=O)c1nnsc1[N-]c1ccc(C(=O)[O-])c(F)c1F ZINC001212511899 803159156 /nfs/dbraw/zinc/15/91/56/803159156.db2.gz LESUSSWDUXVXPS-UHFFFAOYSA-N -2 0 329.284 2.435 20 0 EEADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-]Cc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000793990458 810626458 /nfs/dbraw/zinc/62/64/58/810626458.db2.gz YXXGVDQYJKDDOP-RXMQYKEDSA-N -2 0 347.261 2.033 20 0 EEADRL O=C([O-])c1ccc(NC(=O)c2c([O-])cnc3c(F)cccc32)nc1 ZINC001595237197 949420141 /nfs/dbraw/zinc/42/01/41/949420141.db2.gz VBABSDNHMSJHHP-UHFFFAOYSA-N -2 0 327.271 2.425 20 0 EEADRL O=C([O-])CC1(C(=O)NCc2ccc(O)c(Br)c2)CCC1 ZINC001594976300 950917062 /nfs/dbraw/zinc/91/70/62/950917062.db2.gz LFBSEZMNRKGISE-UHFFFAOYSA-N -2 0 342.189 2.416 20 0 EEADRL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000863960278 955925798 /nfs/dbraw/zinc/92/57/98/955925798.db2.gz ZEWHBLNRIKUWKY-CQSZACIVSA-N -2 0 335.381 2.002 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)C2CCC(C3CCC3)CC2)C1 ZINC001552982919 1125465433 /nfs/dbraw/zinc/46/54/33/1125465433.db2.gz RJHFWVQZPUSFIX-NEXFUWMNSA-N -2 0 337.416 2.369 20 0 EEADRL COc1cc(S(=O)(=O)[N-]c2cncc(C(=O)[O-])c2)ccc1Cl ZINC001594067501 958150593 /nfs/dbraw/zinc/15/05/93/958150593.db2.gz GLIAJTQPBQZPDB-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL Cc1c(C(=O)[O-])sc2[nH]c(Cc3cccc(C(=O)[O-])c3)nc(=O)c12 ZINC000204575502 959655010 /nfs/dbraw/zinc/65/50/10/959655010.db2.gz VTNNXDJECXXJPJ-UHFFFAOYSA-N -2 0 344.348 2.280 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnccc2N2CCCC2)cc1 ZINC001260223689 960712644 /nfs/dbraw/zinc/71/26/44/960712644.db2.gz XHUZNBDEJSAZJE-UHFFFAOYSA-N -2 0 347.396 2.181 20 0 EEADRL CC(C)[C@@H](NC(=O)c1cc(Br)cc(F)c1[O-])C(=O)[O-] ZINC001588949685 962565704 /nfs/dbraw/zinc/56/57/04/962565704.db2.gz YBXMJRRZTAGFRT-SECBINFHSA-N -2 0 334.141 2.133 20 0 EEADRL CC(C)n1ccc([N-]S(=O)(=O)C[C@@H](C(=O)[O-])c2ccccc2)n1 ZINC001592142886 976992604 /nfs/dbraw/zinc/99/26/04/976992604.db2.gz SGVOQGBTOQPNSR-CYBMUJFWSA-N -2 0 337.401 2.074 20 0 EEADRL C[C@H](CN(C)C(=O)Nc1cccc(SCCC(=O)[O-])c1)C(=O)[O-] ZINC001592576714 978485670 /nfs/dbraw/zinc/48/56/70/978485670.db2.gz ZRIFEFHOELXEHR-SNVBAGLBSA-N -2 0 340.401 2.438 20 0 EEADRL CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001595631896 981845758 /nfs/dbraw/zinc/84/57/58/981845758.db2.gz JDQLXPVNYNQUSY-SECBINFHSA-N -2 0 333.431 2.468 20 0 EEADRL CCCc1c(C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)[nH]c(C)c1C(=O)[O-] ZINC001596030253 983298250 /nfs/dbraw/zinc/29/82/50/983298250.db2.gz HPLZHROXZGFNDM-BXKDBHETSA-N -2 0 336.388 2.157 20 0 EEADRL CC(=CCl)CS(=O)(=O)C=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C ZINC001588990835 984912640 /nfs/dbraw/zinc/91/26/40/984912640.db2.gz INYYJCKNARZTIU-DAXSKMNVSA-N -2 0 333.793 2.070 20 0 EEADRL Cc1[nH]c(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])c(C)c1C(=O)[O-] ZINC001599951137 985608775 /nfs/dbraw/zinc/60/87/75/985608775.db2.gz PDMSQEVSMOSDBP-OAHLLOKOSA-N -2 0 342.351 2.154 20 0 EEADRL Cc1[nH]c(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])c(C)c1C(=O)[O-] ZINC001599951136 985609022 /nfs/dbraw/zinc/60/90/22/985609022.db2.gz PDMSQEVSMOSDBP-HNNXBMFYSA-N -2 0 342.351 2.154 20 0 EEADRL CCOc1cc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])cc(Cl)c1O ZINC001597005851 986331822 /nfs/dbraw/zinc/33/18/22/986331822.db2.gz LFUVGGUBAZFVCI-KOLCDFICSA-N -2 0 327.764 2.427 20 0 EEADRL C[C@]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)(C1CC1)C(F)(F)F ZINC001593326301 994875204 /nfs/dbraw/zinc/87/52/04/994875204.db2.gz JGDQYNXJUWSBIU-JTQLQIEISA-N -2 0 343.348 2.456 20 0 EEADRL CC1(C)CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001593905662 996787637 /nfs/dbraw/zinc/78/76/37/996787637.db2.gz WRBTXHSFIABKKJ-LLVKDONJSA-N -2 0 343.401 2.389 20 0 EEADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C(C)C)on1 ZINC001599383249 996895259 /nfs/dbraw/zinc/89/52/59/996895259.db2.gz WZICLQHTHIREJZ-UHFFFAOYSA-N -2 0 340.357 2.306 20 0 EEADRL COc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1C ZINC001599392341 997061025 /nfs/dbraw/zinc/06/10/25/997061025.db2.gz FQPJVGJBEDKMGW-UHFFFAOYSA-N -2 0 325.342 2.404 20 0 EEADRL CO[C@@H]1CCC[C@@H]([C@@H](NC(=O)c2cccc(Cl)c2[O-])C(=O)[O-])C1 ZINC001599110763 997562581 /nfs/dbraw/zinc/56/25/81/997562581.db2.gz RJWURJBVYYFFAS-GIPNMCIBSA-N -2 0 341.791 2.434 20 0 EEADRL C[C@H]1CCCC[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001594363937 999374682 /nfs/dbraw/zinc/37/46/82/999374682.db2.gz PBFKTLMUPQJKJY-SMDDNHRTSA-N -2 0 339.413 2.157 20 0 EEADRL C[C@@H]1CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001594364269 999376370 /nfs/dbraw/zinc/37/63/70/999376370.db2.gz XFVVOHIGCNNFDT-NXEZZACHSA-N -2 0 345.442 2.468 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2ccc3c(C)n[nH]c3c2)cc1C(=O)[O-] ZINC000093909442 539389965 /nfs/dbraw/zinc/38/99/65/539389965.db2.gz WQAILFLCWLELPL-UHFFFAOYSA-N -2 0 348.384 2.192 20 0 EEADRL CCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)cn1 ZINC000071818103 215846281 /nfs/dbraw/zinc/84/62/81/215846281.db2.gz VDUXTXPAXRIMLS-UHFFFAOYSA-N -2 0 349.412 2.281 20 0 EEADRL Cc1cc(C(=O)N2C[C@H](C)c3ccccc32)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000081257555 217373695 /nfs/dbraw/zinc/37/36/95/217373695.db2.gz GBPWSWHJTQQLIB-JTQLQIEISA-N -2 0 336.351 2.096 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cccc3c2OCCO3)cccc1C(=O)[O-] ZINC000342969112 152703996 /nfs/dbraw/zinc/70/39/96/152703996.db2.gz BEAGDYKPXKSQCY-UHFFFAOYSA-N -2 0 349.364 2.265 20 0 EEADRL CC(C)Cc1ncc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cn1 ZINC000355877868 153184127 /nfs/dbraw/zinc/18/41/27/153184127.db2.gz GXROMAAMBPMYCE-UHFFFAOYSA-N -2 0 335.385 2.174 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2)cc1 ZINC000341657442 161003636 /nfs/dbraw/zinc/00/36/36/161003636.db2.gz LUXQDYSTTQDLPS-UHFFFAOYSA-N -2 0 343.364 2.371 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cnn1CC(C)C ZINC000346517806 161378625 /nfs/dbraw/zinc/37/86/25/161378625.db2.gz ZYFIOZGUHQVHFJ-UHFFFAOYSA-N -2 0 337.401 2.347 20 0 EEADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccsc1 ZINC000360230498 164262837 /nfs/dbraw/zinc/26/28/37/164262837.db2.gz LFXTYMDEJYYATB-UHFFFAOYSA-N -2 0 327.383 2.185 20 0 EEADRL Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000360859353 164391931 /nfs/dbraw/zinc/39/19/31/164391931.db2.gz NQDAPHMPTDXGOE-UHFFFAOYSA-N -2 0 349.364 2.121 20 0 EEADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)cc1 ZINC000360872102 164394429 /nfs/dbraw/zinc/39/44/29/164394429.db2.gz NPYGIZULASERSX-UHFFFAOYSA-N -2 0 341.772 2.474 20 0 EEADRL Cc1ccc(C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c(O)c1 ZINC000291168404 275277676 /nfs/dbraw/zinc/27/76/76/275277676.db2.gz RLGAREMSJRGUMO-NSHDSACASA-N -2 0 344.333 2.231 20 0 EEADRL Cc1cc(C(=O)N2CCC[C@@H](C3CC3)C2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000292210378 275394567 /nfs/dbraw/zinc/39/45/67/275394567.db2.gz YYUBIIUYZRYQOF-LLVKDONJSA-N -2 0 328.372 2.007 20 0 EEADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)C[C@H](CC)OC ZINC000421159842 314056638 /nfs/dbraw/zinc/05/66/38/314056638.db2.gz UQKPZRHEZKIJLD-LBPRGKRZSA-N -2 0 345.417 2.340 20 0 EEADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(C)C)c1 ZINC000525239275 317049048 /nfs/dbraw/zinc/04/90/48/317049048.db2.gz ZPZGXWLRIRRTIK-UHFFFAOYSA-N -2 0 343.430 2.408 20 0 EEADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1OCO2 ZINC000543869466 318176191 /nfs/dbraw/zinc/17/61/91/318176191.db2.gz SSSLBFRMRNVMKS-UHFFFAOYSA-N -2 0 341.366 2.284 20 0 EEADRL CC(C)n1cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cn1 ZINC000567324319 319368907 /nfs/dbraw/zinc/36/89/07/319368907.db2.gz HOPKQQKCVGHEKJ-UHFFFAOYSA-N -2 0 327.337 2.102 20 0 EEADRL CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000339205058 465141317 /nfs/dbraw/zinc/14/13/17/465141317.db2.gz PXCZFRVCCADQIB-JTQLQIEISA-N -2 0 338.385 2.232 20 0 EEADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1O ZINC000148695915 463403010 /nfs/dbraw/zinc/40/30/10/463403010.db2.gz UNATUKRGAWCIAK-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL O=C([O-])c1ccc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1 ZINC000362307364 465644697 /nfs/dbraw/zinc/64/46/97/465644697.db2.gz ZCFBPVKLYFUITI-UHFFFAOYSA-N -2 0 339.300 2.023 20 0 EEADRL Cc1ccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c(O)c1 ZINC000340033594 465707763 /nfs/dbraw/zinc/70/77/63/465707763.db2.gz KQYQTIWITNRXTE-UHFFFAOYSA-N -2 0 326.312 2.011 20 0 EEADRL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000362430631 465732847 /nfs/dbraw/zinc/73/28/47/465732847.db2.gz OFJMPQRROKLDQS-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1O ZINC000338220751 465913714 /nfs/dbraw/zinc/91/37/14/465913714.db2.gz FZRDNFXJPBMZBC-UHFFFAOYSA-N -2 0 331.733 2.446 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)c(O)c1 ZINC000315605390 466562028 /nfs/dbraw/zinc/56/20/28/466562028.db2.gz QATLGWOQZZTBNA-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)ccc1F ZINC000436176002 467518716 /nfs/dbraw/zinc/51/87/16/467518716.db2.gz NXUKETVLZQVQHE-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL CCn1nccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000471899388 467980296 /nfs/dbraw/zinc/98/02/96/467980296.db2.gz NRHKYBJIQYJFPW-UHFFFAOYSA-N -2 0 329.765 2.055 20 0 EEADRL Cc1ccccc1-c1nc(=NCC2(C(=O)[O-])CCOCC2)s[n-]1 ZINC000629766542 469625213 /nfs/dbraw/zinc/62/52/13/469625213.db2.gz UEZQMWNHWVHGTJ-UHFFFAOYSA-N -2 0 333.413 2.229 20 0 EEADRL CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1n[nH]c(-c2ccccc2Cl)n1 ZINC000647117240 470831813 /nfs/dbraw/zinc/83/18/13/470831813.db2.gz LREZYQHRVHVJFD-ZJUUUORDSA-N -2 0 334.763 2.420 20 0 EEADRL O=C([O-])C[C@H]1CCCCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000653320832 471582367 /nfs/dbraw/zinc/58/23/67/471582367.db2.gz XGVDZMRFHSTAGK-CYBMUJFWSA-N -2 0 329.356 2.047 20 0 EEADRL C[C@@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])[C@@H]1C(=O)[O-] ZINC000663056914 472342400 /nfs/dbraw/zinc/34/24/00/472342400.db2.gz FAXPETWQFKNOQA-BMIGLBTASA-N -2 0 347.346 2.042 20 0 EEADRL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccsc2)c1 ZINC000737652521 576254643 /nfs/dbraw/zinc/25/46/43/576254643.db2.gz CQZYGXREPCPAIX-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)c(C(=O)[O-])[nH]1 ZINC000738463421 576453677 /nfs/dbraw/zinc/45/36/77/576453677.db2.gz BJDQYOIEUPJVDR-UHFFFAOYSA-N -2 0 346.368 2.008 20 0 EEADRL COCc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000737836773 577011831 /nfs/dbraw/zinc/01/18/31/577011831.db2.gz UGJGOFUWCLDDRD-UHFFFAOYSA-N -2 0 339.344 2.471 20 0 EEADRL Cc1nc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2C(=O)[O-])cn1C ZINC000738868558 578029370 /nfs/dbraw/zinc/02/93/70/578029370.db2.gz KDASUFPVMHJULO-UHFFFAOYSA-N -2 0 337.401 2.351 20 0 EEADRL Cc1nc(S(=O)(=O)[N-]c2cc3ccccc3cc2C(=O)[O-])cn1C ZINC000058254435 600022884 /nfs/dbraw/zinc/02/28/84/600022884.db2.gz LJFJVBGRQYQNPM-UHFFFAOYSA-N -2 0 345.380 2.381 20 0 EEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1n[nH]c2ccccc21 ZINC000832208584 601201111 /nfs/dbraw/zinc/20/11/11/601201111.db2.gz GNYZACALBFHAJA-UHFFFAOYSA-N -2 0 347.352 2.071 20 0 EEADRL O=C([O-])c1sccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000833299790 601224796 /nfs/dbraw/zinc/22/47/96/601224796.db2.gz USTMGPYWMPYHQE-UHFFFAOYSA-N -3 0 345.329 2.084 20 0 EEADRL CCn1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1C1CC1 ZINC000830445913 601234957 /nfs/dbraw/zinc/23/49/57/601234957.db2.gz VDSCSHADKQEVTC-UHFFFAOYSA-N -2 0 339.373 2.181 20 0 EEADRL CCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)n1 ZINC000830104796 601362525 /nfs/dbraw/zinc/36/25/25/601362525.db2.gz SVSPWJLDNHQDLX-UHFFFAOYSA-N -2 0 328.371 2.041 20 0 EEADRL COc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000832628540 601383020 /nfs/dbraw/zinc/38/30/20/601383020.db2.gz QJVCGSLVRAHJLS-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)o1 ZINC000833323641 601576778 /nfs/dbraw/zinc/57/67/78/601576778.db2.gz WCGYVYZDCGTSOW-UHFFFAOYSA-N -2 0 334.309 2.434 20 0 EEADRL O=C([O-])C[C@H]1CN(C(=O)c2c([O-])cc(Cl)cc2Cl)CCO1 ZINC000833217741 601760275 /nfs/dbraw/zinc/76/02/75/601760275.db2.gz MADKXQBEOBFJSR-QMMMGPOBSA-N -2 0 334.155 2.015 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2cccc(OCCF)c2)cc1C(=O)[O-] ZINC000833029117 601856136 /nfs/dbraw/zinc/85/61/36/601856136.db2.gz BPRNTLYYLYXMCS-UHFFFAOYSA-N -2 0 343.332 2.435 20 0 EEADRL Cc1cnc(N)c(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000833753805 605006168 /nfs/dbraw/zinc/00/61/68/605006168.db2.gz CXNHGAGUPBNXJN-UHFFFAOYSA-N -2 0 341.776 2.125 20 0 EEADRL O=C([O-])C1CCC(C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000833772109 605118153 /nfs/dbraw/zinc/11/81/53/605118153.db2.gz HAENISPZDJLSEG-UHFFFAOYSA-N -2 0 345.804 2.036 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)sc1C(=O)[O-] ZINC000833747118 605596809 /nfs/dbraw/zinc/59/68/09/605596809.db2.gz RLZUPCGOCXYCGE-UHFFFAOYSA-N -2 0 341.414 2.088 20 0 EEADRL CC[C@@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000833638714 605680088 /nfs/dbraw/zinc/68/00/88/605680088.db2.gz OGPUHJPDZGJYNP-GHMZBOCLSA-N -2 0 327.402 2.013 20 0 EEADRL CCCc1ccccc1S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000863963918 1197939112 /nfs/dbraw/zinc/93/91/12/1197939112.db2.gz KOEXLFKHVARJPN-CYBMUJFWSA-N -2 0 341.429 2.191 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn2nccc2c1 ZINC001185877626 1278844214 /nfs/dbraw/zinc/84/42/14/1278844214.db2.gz QJRYQVAJEPARGX-UHFFFAOYSA-N -2 0 331.353 2.142 20 0 EEADRL Cc1cccc2ncc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)n21 ZINC001186151513 1278975437 /nfs/dbraw/zinc/97/54/37/1278975437.db2.gz ZKHKREZDGFJJSY-UHFFFAOYSA-N -2 0 349.343 2.281 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)Nc2ncc(O)cc2Cl)ccc1F ZINC001186153563 1278975471 /nfs/dbraw/zinc/97/54/71/1278975471.db2.gz YOSYSNLWOBOBRP-UHFFFAOYSA-N -3 0 346.723 2.079 20 0 EEADRL Cc1nc2ccccn2c1NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189870162 1280529402 /nfs/dbraw/zinc/52/94/02/1280529402.db2.gz ADYPBQURRXTDMJ-UHFFFAOYSA-N -2 0 347.267 2.367 20 0 EEADRL O=C(Nc1nc[n-]c(=O)c1Br)c1c([O-])ccc(F)c1F ZINC001192730240 1282128970 /nfs/dbraw/zinc/12/89/70/1282128970.db2.gz RLCVEZWXZSJVSR-UHFFFAOYSA-N -2 0 346.087 2.181 20 0 EEADRL O=C(c1ccc(-c2ccc(P(=O)([O-])[O-])cc2)cc1)N1CCCC1 ZINC001239897528 1309210478 /nfs/dbraw/zinc/21/04/78/1309210478.db2.gz OGYIYKCMOMZGMX-UHFFFAOYSA-N -2 0 331.308 2.393 20 0 EEADRL CCOC(=O)c1cnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc1C ZINC001242159189 1309621710 /nfs/dbraw/zinc/62/17/10/1309621710.db2.gz JADDGGNFVXERRS-UHFFFAOYSA-N -2 0 330.296 2.025 20 0 EEADRL CNC(=S)Nc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc1 ZINC001242160057 1309622568 /nfs/dbraw/zinc/62/25/68/1309622568.db2.gz CPMYWSYUJGKSCE-UHFFFAOYSA-N -2 0 331.353 2.061 20 0 EEADRL Cc1ccc(-c2cc(=O)n(-c3ccccc3S(=O)(=O)[O-])[n-]2)cn1 ZINC001245950391 1310194778 /nfs/dbraw/zinc/19/47/78/1310194778.db2.gz XXZRLUGORKLFAF-UHFFFAOYSA-N -2 0 331.353 2.195 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2nccc3cnccc32)c1 ZINC001260184013 1319818134 /nfs/dbraw/zinc/81/81/34/1319818134.db2.gz NEZKJTOAUHSFCO-UHFFFAOYSA-N -2 0 329.337 2.129 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n(C(C)(C)C)n1 ZINC001260183593 1319818946 /nfs/dbraw/zinc/81/89/46/1319818946.db2.gz VBHRHZIZXBWTCY-UHFFFAOYSA-N -2 0 337.401 2.446 20 0 EEADRL COc1ccc(C(C)=O)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001260190094 1319820965 /nfs/dbraw/zinc/82/09/65/1319820965.db2.gz ALXNJVRRPFDYRE-UHFFFAOYSA-N -2 0 349.364 2.397 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3snnc32)cc1 ZINC001260228436 1319840101 /nfs/dbraw/zinc/84/01/01/1319840101.db2.gz FGQWRCGTYMCGBT-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2c[nH]nc2C2CC2)c1 ZINC001608893116 1351788464 /nfs/dbraw/zinc/78/84/64/1351788464.db2.gz CFTCBLUZLOTYJC-UHFFFAOYSA-N -2 0 341.776 2.440 20 0 EEADRL O=C([O-])c1coc(C([O-])=CS(=O)(=O)c2ccc(Cl)s2)c1 ZINC001608985682 1351808283 /nfs/dbraw/zinc/80/82/83/1351808283.db2.gz NIWSFHPNTKBERZ-UHFFFAOYSA-N -2 0 334.758 2.349 20 0 EEADRL C[C@@H](OC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1cc(C(=O)[O-])co1 ZINC001609788335 1352085460 /nfs/dbraw/zinc/08/54/60/1352085460.db2.gz CHHBCRRFTOWXOB-ZCFIWIBFSA-N -2 0 337.250 2.039 20 0 EEADRL CN(CCC(=O)[O-])C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001610115860 1352165881 /nfs/dbraw/zinc/16/58/81/1352165881.db2.gz UEMXDMLPMZDQJM-UHFFFAOYSA-N -2 0 326.374 2.264 20 0 EEADRL COc1cc(S(=O)(=O)[N-]c2cccc(Cl)n2)ccc1C(=O)[O-] ZINC001610307586 1352203284 /nfs/dbraw/zinc/20/32/84/1352203284.db2.gz LETYHXSYWFMMGJ-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C)[nH]c1C(=O)[O-] ZINC001610337924 1352207570 /nfs/dbraw/zinc/20/75/70/1352207570.db2.gz OXPPEFMMFJIYJI-UHFFFAOYSA-N -2 0 344.776 2.484 20 0 EEADRL Cc1cc(C)c(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)s1 ZINC001610452100 1352224656 /nfs/dbraw/zinc/22/46/56/1352224656.db2.gz ALVCGJUZJAIAPU-QWRGUYRKSA-N -2 0 345.442 2.061 20 0 EEADRL Cc1ccc(C(=O)[O-])c(O)c1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC001610485305 1352230609 /nfs/dbraw/zinc/23/06/09/1352230609.db2.gz BWDVLJDMACHANK-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)s2)o1 ZINC001610840191 1352283204 /nfs/dbraw/zinc/28/32/04/1352283204.db2.gz NBVDMRNRJGHFFA-UHFFFAOYSA-N -2 0 342.276 2.254 20 0 EEADRL Cc1cc(F)c(S(=O)(=O)[N-]c2c[nH]nc2C2CC2)cc1C(=O)[O-] ZINC001600227563 1349996920 /nfs/dbraw/zinc/99/69/20/1349996920.db2.gz MZKTWICTQOIGOF-UHFFFAOYSA-N -2 0 339.348 2.234 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2cccc3[nH]c(=O)[nH]c32)c1C(=O)[O-] ZINC001600550616 1350079906 /nfs/dbraw/zinc/07/99/06/1350079906.db2.gz HWFVOQFDSVHCBP-UHFFFAOYSA-N -2 0 347.352 2.076 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2cn(C)nc2C2CC2)c1C(=O)[O-] ZINC001600550669 1350079946 /nfs/dbraw/zinc/07/99/46/1350079946.db2.gz LHQJLZFTVQJABL-UHFFFAOYSA-N -2 0 335.385 2.105 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cc(O)cc(F)c1 ZINC001600655141 1350109214 /nfs/dbraw/zinc/10/92/14/1350109214.db2.gz RSGQTISWKHBSOZ-UHFFFAOYSA-N -3 0 331.346 2.400 20 0 EEADRL Cc1nc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2Cl)s1 ZINC001600693011 1350117222 /nfs/dbraw/zinc/11/72/22/1350117222.db2.gz YBUQENWNQSJZBO-UHFFFAOYSA-N -2 0 347.805 2.307 20 0 EEADRL Cc1oc(C(=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001600825718 1350145708 /nfs/dbraw/zinc/14/57/08/1350145708.db2.gz POQXXZZHWPUBDE-OLZOCXBDSA-N -2 0 329.308 2.329 20 0 EEADRL Cc1sc(NC(=O)N2CCC(C(=O)[O-])CC2)c(C(=O)[O-])c1C ZINC001600887249 1350160284 /nfs/dbraw/zinc/16/02/84/1350160284.db2.gz NKBXYQLXCOUECZ-UHFFFAOYSA-N -2 0 326.374 2.392 20 0 EEADRL O=C([O-])[C@@H](CC(F)F)NC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001601407576 1350277349 /nfs/dbraw/zinc/27/73/49/1350277349.db2.gz JPFLAUFKHLVDGB-SSDOTTSWSA-N -2 0 327.205 2.249 20 0 EEADRL O=C([O-])[C@@H](CS(=O)(=O)[N-]c1cccc2c[nH]nc21)c1ccccc1 ZINC001601656505 1350329604 /nfs/dbraw/zinc/32/96/04/1350329604.db2.gz BOIHMWFTBVISMG-ZDUSSCGKSA-N -2 0 345.380 2.173 20 0 EEADRL O=C([O-])C1(CS(=O)(=O)[N-]c2ccc(F)c(F)c2[O-])CCCC1 ZINC001601716105 1350346564 /nfs/dbraw/zinc/34/65/64/1350346564.db2.gz MZHDUXMPXYTAJT-UHFFFAOYSA-N -3 0 335.328 2.057 20 0 EEADRL O=C([O-])C1CC2(C1)CN(C(=O)[C@@H]1CCC=CCCC1)C[C@@H]2C(=O)[O-] ZINC001601777819 1350362529 /nfs/dbraw/zinc/36/25/29/1350362529.db2.gz AOINQXQNEWJERZ-CZJPOVKDSA-N -2 0 335.400 2.147 20 0 EEADRL O=C([O-])C=Cc1ccc(S(=O)(=O)[N-]c2c[nH]nc2C2CC2)cc1 ZINC001601883110 1350390028 /nfs/dbraw/zinc/39/00/28/1350390028.db2.gz AKBUNYFKAUZUDB-BAQGIRSFSA-N -2 0 333.369 2.186 20 0 EEADRL O=C([O-])C[C@@H]1CCCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001601951014 1350404342 /nfs/dbraw/zinc/40/43/42/1350404342.db2.gz CGQQHARMLDCJKC-QMMMGPOBSA-N -2 0 342.298 2.382 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)c1 ZINC001602559630 1350546675 /nfs/dbraw/zinc/54/66/75/1350546675.db2.gz UTNUOOVOWSMNQV-UHFFFAOYSA-N -2 0 336.247 2.192 20 0 EEADRL O=C([O-])c1nscc1[N-]S(=O)(=O)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001602587197 1350552234 /nfs/dbraw/zinc/55/22/34/1350552234.db2.gz WQNYHAVAIGBTBN-KOLCDFICSA-N -2 0 342.373 2.278 20 0 EEADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC001602588477 1350552243 /nfs/dbraw/zinc/55/22/43/1350552243.db2.gz WQZCTZOVWIZVLG-UHFFFAOYSA-N -2 0 338.288 2.059 20 0 EEADRL C[C@H](CCC[C@H](C)C(=O)[O-])NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC001604132969 1350868416 /nfs/dbraw/zinc/86/84/16/1350868416.db2.gz WFJZJLJRAUWMAI-DTWKUNHWSA-N -2 0 349.430 2.004 20 0 EEADRL CCCC[C@](C)(F)C(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001605234533 1351111641 /nfs/dbraw/zinc/11/16/41/1351111641.db2.gz AGPIVYKGMZAQFK-AWEZNQCLSA-N -2 0 346.380 2.076 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cccc3ccccc32)cnn1CC(=O)[O-] ZINC001607553900 1351514592 /nfs/dbraw/zinc/51/45/92/1351514592.db2.gz FLIBMHJSJWJHQL-UHFFFAOYSA-N -2 0 345.380 2.230 20 0 EEADRL Cc1ccc(CS(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)c(F)c1 ZINC001607786190 1351558543 /nfs/dbraw/zinc/55/85/43/1351558543.db2.gz SQLYNWRPIPZINB-UHFFFAOYSA-N -2 0 344.389 2.160 20 0 EEADRL O=C(Nc1ccc(OCc2nnn[n-]2)cc1)c1cccc(Cl)c1[O-] ZINC001628145350 1352522890 /nfs/dbraw/zinc/52/28/90/1352522890.db2.gz VPAYMXSVFPQJEA-UHFFFAOYSA-N -2 0 345.746 2.390 20 0 EEADRL Cc1cnc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)nc1C ZINC001188272882 1368292659 /nfs/dbraw/zinc/29/26/59/1368292659.db2.gz XQNMZLYNZNEFJA-UHFFFAOYSA-N -2 0 341.776 2.246 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)n(C)n1 ZINC001193966020 1368483537 /nfs/dbraw/zinc/48/35/37/1368483537.db2.gz ZIIHBUHTCIOIFQ-UHFFFAOYSA-N -2 0 347.755 2.020 20 0 EEADRL O=C([O-])CCS(=O)(=O)[N-][C@H](c1cccc(Cl)c1)C(F)F ZINC001574882628 1403527937 /nfs/dbraw/zinc/52/79/37/1403527937.db2.gz TWBDDVHBOHVAHU-SNVBAGLBSA-N -2 0 327.736 2.040 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(F)c3ccccc23)C1 ZINC000910183339 786515906 /nfs/dbraw/zinc/51/59/06/786515906.db2.gz AURFTVUTPOETBX-BMIGLBTASA-N -2 0 345.326 2.369 20 0 EEADRL Cc1cc(Cl)c(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1C ZINC000910191739 786523530 /nfs/dbraw/zinc/52/35/30/786523530.db2.gz LGAPSGMGGWUMPJ-GWCFXTLKSA-N -2 0 339.775 2.347 20 0 EEADRL CCc1ccc(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])c(O)c1 ZINC001148926120 792814420 /nfs/dbraw/zinc/81/44/20/792814420.db2.gz DRDXQVSREPHPBD-UHFFFAOYSA-N -2 0 337.353 2.159 20 0 EEADRL COC(=O)COc1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001176245217 798392949 /nfs/dbraw/zinc/39/29/49/798392949.db2.gz VYBHVXPFVAPYAS-UHFFFAOYSA-N -2 0 345.307 2.378 20 0 EEADRL COc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(/C=C/C(=O)[O-])cc1 ZINC001176595056 798491130 /nfs/dbraw/zinc/49/11/30/798491130.db2.gz AWSMIBPYWCJVGW-RUDMXATFSA-N -2 0 348.380 2.176 20 0 EEADRL CCn1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c2ccccc21 ZINC000823584098 798745180 /nfs/dbraw/zinc/74/51/80/798745180.db2.gz YXSNQRBSKWIOHG-NHYWBVRUSA-N -2 0 344.367 2.051 20 0 EEADRL O=P([O-])([O-])OCCNc1ncnc2cc(Cl)c(Cl)cc21 ZINC001157791744 810386186 /nfs/dbraw/zinc/38/61/86/810386186.db2.gz SRVVLQHEKPOXFK-UHFFFAOYSA-N -2 0 338.087 2.458 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-n2ccnc2)c1 ZINC000324756027 971154019 /nfs/dbraw/zinc/15/40/19/971154019.db2.gz VWMSUFDOSZJNNC-UHFFFAOYSA-N -2 0 347.352 2.273 20 0 EEADRL N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000325592318 971229366 /nfs/dbraw/zinc/22/93/66/971229366.db2.gz NZLIGSROIWJJKM-UHFFFAOYSA-N -2 0 342.376 2.475 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000357016352 971530064 /nfs/dbraw/zinc/53/00/64/971530064.db2.gz FUMDEQSLLCRKDQ-UHFFFAOYSA-N -2 0 349.364 2.121 20 0 EEADRL COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000386760866 972078223 /nfs/dbraw/zinc/07/82/23/972078223.db2.gz FGUOZHOJGCJONY-UHFFFAOYSA-N -2 0 343.382 2.264 20 0 EEADRL C[C@H](CC(=O)[O-])NC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC001589001008 955323629 /nfs/dbraw/zinc/32/36/29/955323629.db2.gz ACXVQISVPMBNFG-RXMQYKEDSA-N -2 0 336.569 2.401 20 0 EEADRL C[C@@H](CN(C)C(=O)c1cc(Br)c(F)cc1[O-])C(=O)[O-] ZINC001603152083 972252500 /nfs/dbraw/zinc/25/25/00/972252500.db2.gz OKVFZVGYKXBEAR-LURJTMIESA-N -2 0 334.141 2.087 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c2n[nH]cc21 ZINC000072759648 957737322 /nfs/dbraw/zinc/73/73/22/957737322.db2.gz HUBXRGAJBZWGKP-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL C[C@@H](C(=O)[O-])N(C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C1CC1 ZINC001588590968 959341020 /nfs/dbraw/zinc/34/10/20/959341020.db2.gz DFYOSNGLVCFAMW-VIFPVBQESA-N -2 0 349.774 2.309 20 0 EEADRL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198782645 960587050 /nfs/dbraw/zinc/58/70/50/960587050.db2.gz MVOHMJTYPBACSX-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL N#Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1F ZINC000307917977 963239138 /nfs/dbraw/zinc/23/91/38/963239138.db2.gz SMKIMBNATMSKIW-UHFFFAOYSA-N -2 0 326.330 2.258 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)c1F ZINC000313203759 963623865 /nfs/dbraw/zinc/62/38/65/963623865.db2.gz BYCUWBWQZCNGNY-UHFFFAOYSA-N -2 0 330.362 2.019 20 0 EEADRL COc1cccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)c1F ZINC001604875034 974125430 /nfs/dbraw/zinc/12/54/30/974125430.db2.gz SWAKPYBSUCOQJU-UHFFFAOYSA-N -2 0 339.344 2.262 20 0 EEADRL CC(C)c1scnc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001592118055 976922932 /nfs/dbraw/zinc/92/29/32/976922932.db2.gz XPYXBKIRJIHPRA-UHFFFAOYSA-N -2 0 327.387 2.161 20 0 EEADRL C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1)CC(F)(F)F ZINC001592715798 979213195 /nfs/dbraw/zinc/21/31/95/979213195.db2.gz IIBATRGHNOVNKH-RXMQYKEDSA-N -2 0 349.714 2.498 20 0 EEADRL C[C@H](Cc1ccc(NC(=O)C(=O)c2ccc(O)cc2)cc1)C(=O)[O-] ZINC001592857069 979660952 /nfs/dbraw/zinc/66/09/52/979660952.db2.gz BKBMMWYGAQOJTO-LLVKDONJSA-N -2 0 327.336 2.477 20 0 EEADRL C[C@H](Cc1ccc(NC(=O)N2CCC(C(=O)[O-])CC2)cc1)C(=O)[O-] ZINC001592861131 979696686 /nfs/dbraw/zinc/69/66/86/979696686.db2.gz PLQNFDOXWNTLSV-LLVKDONJSA-N -2 0 334.372 2.278 20 0 EEADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-][C@H](C)C(F)(F)F)c1F ZINC000871962517 980013530 /nfs/dbraw/zinc/01/35/30/980013530.db2.gz DEBLQHGHMKXQQX-ZCFIWIBFSA-N -2 0 329.271 2.061 20 0 EEADRL CCC[C@@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001595621530 981701036 /nfs/dbraw/zinc/70/10/36/981701036.db2.gz KACZQWOEPKZDCT-ZJUUUORDSA-N -2 0 345.442 2.468 20 0 EEADRL CCCc1c(C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)[nH]c(C)c1C(=O)[O-] ZINC001596030254 983298060 /nfs/dbraw/zinc/29/80/60/983298060.db2.gz HPLZHROXZGFNDM-CABZTGNLSA-N -2 0 336.388 2.157 20 0 EEADRL CCO[C@H]1C[C@](NC(=O)c2cc(F)cc(F)c2[O-])(C(=O)[O-])C1(C)C ZINC001596828542 985448664 /nfs/dbraw/zinc/44/86/64/985448664.db2.gz OSDGYVPBEDMPKK-ZBEGNZNMSA-N -2 0 343.326 2.059 20 0 EEADRL CCOc1ncc(C)cc1[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001597197587 987091489 /nfs/dbraw/zinc/09/14/89/987091489.db2.gz HMQOTUGUUKTFMW-UHFFFAOYSA-N -2 0 342.398 2.349 20 0 EEADRL CCC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC001594722707 987215689 /nfs/dbraw/zinc/21/56/89/987215689.db2.gz YWBIPJLFTBXVFQ-UHFFFAOYSA-N -2 0 336.369 2.117 20 0 EEADRL CCc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC001597500934 988060582 /nfs/dbraw/zinc/06/05/82/988060582.db2.gz DQMHYTRUDKFCBK-UHFFFAOYSA-N -2 0 333.365 2.066 20 0 EEADRL C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC001599878297 989449032 /nfs/dbraw/zinc/44/90/32/989449032.db2.gz WOSGDCDHERWZKC-GHMZBOCLSA-N -2 0 347.346 2.042 20 0 EEADRL CCn1cc(Cl)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)n1 ZINC001597893694 989751344 /nfs/dbraw/zinc/75/13/44/989751344.db2.gz MXDARFPBWHQAHN-UHFFFAOYSA-N -2 0 343.792 2.364 20 0 EEADRL CCn1ncc([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])c1C ZINC001597960961 989985017 /nfs/dbraw/zinc/98/50/17/989985017.db2.gz YWRBJHMARKBBCC-UHFFFAOYSA-N -2 0 329.403 2.080 20 0 EEADRL CN(CCC(=O)[O-])C(=O)N[C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC001598469581 992004061 /nfs/dbraw/zinc/00/40/61/992004061.db2.gz MCQJSEMYZDAPCH-LLVKDONJSA-N -2 0 348.277 2.104 20 0 EEADRL CC(C)CCn1ccc([N-]S(=O)(=O)CC2(C(=O)[O-])CCCC2)n1 ZINC001591276051 992197945 /nfs/dbraw/zinc/19/79/45/992197945.db2.gz BPWDKCYMCKIPHY-UHFFFAOYSA-N -2 0 343.449 2.316 20 0 EEADRL COc1cc(C)c(C)cc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001599390968 997034054 /nfs/dbraw/zinc/03/40/54/997034054.db2.gz UMINLBWXUGUEOE-UHFFFAOYSA-N -2 0 342.398 2.268 20 0 EEADRL C[C@H]1CCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001594358053 999354065 /nfs/dbraw/zinc/35/40/65/999354065.db2.gz TYGROVBZXUGQMT-DTWKUNHWSA-N -2 0 331.415 2.078 20 0 EEADRL C[C@H]1CCc2nc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)sc2C1 ZINC001594450283 999646791 /nfs/dbraw/zinc/64/67/91/999646791.db2.gz CZWKKCOCHRIRKD-ZETCQYMHSA-N -2 0 341.414 2.095 20 0 EEADRL CCc1ccc(S(=O)(=O)[N-]c2cnn(CC3CC3)c2)cc1C(=O)[O-] ZINC000178616730 539568097 /nfs/dbraw/zinc/56/80/97/539568097.db2.gz UEIOIZZYBOPFAZ-UHFFFAOYSA-N -2 0 349.412 2.355 20 0 EEADRL COc1ccc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000094854449 159244064 /nfs/dbraw/zinc/24/40/64/159244064.db2.gz RTEJQLJLNYBLQA-UHFFFAOYSA-N -2 0 331.346 2.395 20 0 EEADRL Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000105388549 159301295 /nfs/dbraw/zinc/30/12/95/159301295.db2.gz HLCGYTBUMDHLGA-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000184659041 160014348 /nfs/dbraw/zinc/01/43/48/160014348.db2.gz NLWCLGNXTMKZDT-VIFPVBQESA-N -2 0 338.385 2.355 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)ccc1F ZINC000343836684 161172634 /nfs/dbraw/zinc/17/26/34/161172634.db2.gz OHBSGZSPUJDRPU-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1C ZINC000359664397 164148491 /nfs/dbraw/zinc/14/84/91/164148491.db2.gz YDGFDEDRLYGGKA-SECBINFHSA-N -2 0 340.405 2.000 20 0 EEADRL Cc1cccc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1C(=O)[O-] ZINC000360856595 164391495 /nfs/dbraw/zinc/39/14/95/164391495.db2.gz HIGHJTWLSZKYKD-UHFFFAOYSA-N -2 0 349.364 2.121 20 0 EEADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C2CC2)n(C)n1 ZINC000290511251 275214108 /nfs/dbraw/zinc/21/41/08/275214108.db2.gz LQIRAWMPMMMABL-UHFFFAOYSA-N -2 0 349.412 2.359 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)cc1 ZINC000322553517 311598267 /nfs/dbraw/zinc/59/82/67/311598267.db2.gz HUCXGEVXCYFDRF-UHFFFAOYSA-N -2 0 337.353 2.290 20 0 EEADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1O ZINC000436994013 315021276 /nfs/dbraw/zinc/02/12/76/315021276.db2.gz KAYVQOQMCZYNMM-UHFFFAOYSA-N -2 0 347.270 2.309 20 0 EEADRL Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])c1C ZINC000537639660 318023758 /nfs/dbraw/zinc/02/37/58/318023758.db2.gz CFTVXKWEZXXAHD-UHFFFAOYSA-N -2 0 337.401 2.153 20 0 EEADRL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000566859518 319327452 /nfs/dbraw/zinc/32/74/52/319327452.db2.gz WXANZIXJXLGNEP-ZCFIWIBFSA-N -2 0 343.298 2.022 20 0 EEADRL CSc1nc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)n[nH]1 ZINC000580153492 324001237 /nfs/dbraw/zinc/00/12/37/324001237.db2.gz MKWQCNYXALQZFJ-UHFFFAOYSA-N -2 0 336.801 2.261 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)C1 ZINC000580834454 324138096 /nfs/dbraw/zinc/13/80/96/324138096.db2.gz GIWDGOKVWSQLRR-RQJHMYQMSA-N -2 0 339.747 2.150 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cccc3c2OCO3)ccc1C(=O)[O-] ZINC000350871348 465030306 /nfs/dbraw/zinc/03/03/06/465030306.db2.gz PZEPEBZKLJGUOD-UHFFFAOYSA-N -2 0 335.337 2.223 20 0 EEADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccccc1F ZINC000339415980 465254512 /nfs/dbraw/zinc/25/45/12/465254512.db2.gz CBCHSKFARROQHU-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL O=C([O-])[C@H](NS(=O)(=O)c1ccoc1)c1ccc(Cl)c(F)c1 ZINC000551999303 468292714 /nfs/dbraw/zinc/29/27/14/468292714.db2.gz UMQTXZBRAQRKFD-LLVKDONJSA-N -2 0 333.724 2.176 20 0 EEADRL Cc1cc(C(=O)Nc2ccc(Cl)c(F)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000155152436 462852738 /nfs/dbraw/zinc/85/27/38/462852738.db2.gz VGPNPSIHFMDJEE-UHFFFAOYSA-N -2 0 348.721 2.377 20 0 EEADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000133344453 462921028 /nfs/dbraw/zinc/92/10/28/462921028.db2.gz XKQNZIDHLKEEHQ-UHFFFAOYSA-N -2 0 348.384 2.017 20 0 EEADRL Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC000054795411 463262698 /nfs/dbraw/zinc/26/26/98/463262698.db2.gz XEEJGLWCPPVXPN-UHFFFAOYSA-N -2 0 335.337 2.192 20 0 EEADRL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000032596896 463382609 /nfs/dbraw/zinc/38/26/09/463382609.db2.gz VECLCLDZHAIQSI-UHFFFAOYSA-N -2 0 340.288 2.233 20 0 EEADRL Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000126895518 463669174 /nfs/dbraw/zinc/66/91/74/463669174.db2.gz KZKGCNAWMRBFKL-UHFFFAOYSA-N -2 0 328.371 2.421 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c(F)c1 ZINC000358852316 465359145 /nfs/dbraw/zinc/35/91/45/465359145.db2.gz GJPBZNNVUPJILR-UHFFFAOYSA-N -2 0 339.344 2.262 20 0 EEADRL CCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)cn1 ZINC000356458543 465395339 /nfs/dbraw/zinc/39/53/39/465395339.db2.gz AFUJLNQIBPCQCB-UHFFFAOYSA-N -2 0 343.792 2.364 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cn[nH]c2)ccc1-n1cccc1C(=O)[O-] ZINC000339758068 465492810 /nfs/dbraw/zinc/49/28/10/465492810.db2.gz SLAJMKFEKIHQCU-UHFFFAOYSA-N -2 0 346.368 2.008 20 0 EEADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000357071063 465742796 /nfs/dbraw/zinc/74/27/96/465742796.db2.gz JIDVMEBNSDTSFJ-UHFFFAOYSA-N -2 0 339.344 2.262 20 0 EEADRL COc1ccsc1S(=O)(=O)[N-]c1ccc(OC)cc1C(=O)[O-] ZINC000349107683 465972956 /nfs/dbraw/zinc/97/29/56/465972956.db2.gz LONXOVADWQCHRI-UHFFFAOYSA-N -2 0 343.382 2.264 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000357894979 466297730 /nfs/dbraw/zinc/29/77/30/466297730.db2.gz RAJZODSUTICXCX-UHFFFAOYSA-N -2 0 349.364 2.121 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)cn1 ZINC000350837284 466621061 /nfs/dbraw/zinc/62/10/61/466621061.db2.gz STEJTIBJKSDAMH-LLVKDONJSA-N -2 0 334.397 2.454 20 0 EEADRL Cc1noc2ncc(S(=O)(=O)[N-]c3cc(C(=O)[O-])ccc3C)cc12 ZINC000588629153 469148112 /nfs/dbraw/zinc/14/81/12/469148112.db2.gz VJGMXYUSDVRAJM-UHFFFAOYSA-N -2 0 347.352 2.339 20 0 EEADRL C[C@@H](NC(=O)c1cccc(OCC(=O)[O-])c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000659767154 471735253 /nfs/dbraw/zinc/73/52/53/471735253.db2.gz OJLOHKSZZFKBJU-DDTOSNHZSA-N -2 0 349.383 2.015 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cnn(C(C)C)c2)sc1C(=O)[O-] ZINC000738463794 578016179 /nfs/dbraw/zinc/01/61/79/578016179.db2.gz NCCCZFLJKKZMBR-UHFFFAOYSA-N -2 0 329.403 2.333 20 0 EEADRL O=C([O-])Nc1cc([N-]S(=O)(=O)c2cncc(F)c2)ccc1F ZINC000740013420 578077294 /nfs/dbraw/zinc/07/72/94/578077294.db2.gz QQHCLKRUZHFUGX-UHFFFAOYSA-N -2 0 329.284 2.251 20 0 EEADRL CCc1csc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)n1 ZINC000737275456 578247633 /nfs/dbraw/zinc/24/76/33/578247633.db2.gz VCXPTIDOBCPNIN-UHFFFAOYSA-N -2 0 342.398 2.213 20 0 EEADRL CCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000041091045 600244631 /nfs/dbraw/zinc/24/46/31/600244631.db2.gz YCWWXMSIUJHXDE-UHFFFAOYSA-N -2 0 349.364 2.298 20 0 EEADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nc2)cc1 ZINC000129673057 600626453 /nfs/dbraw/zinc/62/64/53/600626453.db2.gz KDUHTANTFHHNHR-UHFFFAOYSA-N -2 0 326.761 2.163 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc1C(=O)[O-] ZINC000386264700 600658984 /nfs/dbraw/zinc/65/89/84/600658984.db2.gz ZQOFGFMNKZBGPV-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL CC(C)(C)c1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000390533338 600673883 /nfs/dbraw/zinc/67/38/83/600673883.db2.gz ZLAMLLFDTZHRCD-UHFFFAOYSA-N -2 0 337.401 2.066 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c(C)s1 ZINC000832902787 601237777 /nfs/dbraw/zinc/23/77/77/601237777.db2.gz IIIHXFCHGABXQW-QWRGUYRKSA-N -2 0 345.442 2.061 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2cnc(Cl)c(C)c2)cc1C(=O)[O-] ZINC000832898451 601576808 /nfs/dbraw/zinc/57/68/08/601576808.db2.gz KWSSUFZFOZKRGG-UHFFFAOYSA-N -2 0 330.749 2.444 20 0 EEADRL O=C([O-])C[C@@H]1CN(C(=O)c2c([O-])cc(Cl)cc2Cl)CCO1 ZINC000833217740 601760429 /nfs/dbraw/zinc/76/04/29/601760429.db2.gz MADKXQBEOBFJSR-MRVPVSSYSA-N -2 0 334.155 2.015 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccn2)cc1C(=O)[O-] ZINC000318677560 601769033 /nfs/dbraw/zinc/76/90/33/601769033.db2.gz JHUPCXBKGSLNDJ-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL Cc1noc(C)c1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000080308992 601838218 /nfs/dbraw/zinc/83/82/18/601838218.db2.gz NFXPLONYLGIOOB-UHFFFAOYSA-N -2 0 332.284 2.069 20 0 EEADRL CC(C)n1cc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cn1 ZINC000080309326 601839030 /nfs/dbraw/zinc/83/90/30/601839030.db2.gz BMHWAPQOCDAHCD-UHFFFAOYSA-N -2 0 345.327 2.241 20 0 EEADRL CCc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)n(C)n1 ZINC000830224233 601843709 /nfs/dbraw/zinc/84/37/09/601843709.db2.gz IZRYEZCRZIEEMF-UHFFFAOYSA-N -2 0 343.792 2.135 20 0 EEADRL O=C([O-])c1cccc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])c1 ZINC000833331707 601855568 /nfs/dbraw/zinc/85/55/68/601855568.db2.gz PGAXOBDYIXRTRR-UHFFFAOYSA-N -2 0 339.300 2.023 20 0 EEADRL O=C([O-])c1ccc(NC(=O)CSc2n[n-]c(=S)s2)cc1F ZINC000833116355 601878895 /nfs/dbraw/zinc/87/88/95/601878895.db2.gz RUXBIIHBALLOHQ-UHFFFAOYSA-N -2 0 345.402 2.395 20 0 EEADRL CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n[nH]1 ZINC000829216576 602102518 /nfs/dbraw/zinc/10/25/18/602102518.db2.gz OUVVPNCITPGBKS-SECBINFHSA-N -2 0 340.405 2.151 20 0 EEADRL CC(C)N(CCC(=O)[O-])C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000826946516 602298704 /nfs/dbraw/zinc/29/87/04/602298704.db2.gz ABKGXNMFERYXML-UHFFFAOYSA-N -2 0 335.335 2.042 20 0 EEADRL O=C([O-])CCc1csc([N-]S(=O)(=O)Cc2ccc(F)cc2)n1 ZINC000833244256 604626384 /nfs/dbraw/zinc/62/63/84/604626384.db2.gz XSCSUQDRVMQBSR-UHFFFAOYSA-N -2 0 344.389 2.241 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)n2)cc1C(=O)[O-] ZINC000323480693 604872016 /nfs/dbraw/zinc/87/20/16/604872016.db2.gz ZOPLPCOOWRUALJ-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL O=S(=O)(N=S1(=O)CCCC1)[N-]c1cc(F)cc(Cl)c1[O-] ZINC000905099551 694528933 /nfs/dbraw/zinc/52/89/33/694528933.db2.gz ACTAPUZPTMMUSG-UHFFFAOYSA-N -2 0 342.801 2.103 20 0 EEADRL COc1ccnc(-c2noc(-c3ccccc3OP(=O)([O-])[O-])n2)c1 ZINC001216745845 1297275008 /nfs/dbraw/zinc/27/50/08/1297275008.db2.gz HQQBTGUWMZSZLA-UHFFFAOYSA-N -2 0 349.239 2.279 20 0 EEADRL CSc1ncc2ncnc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2n1 ZINC001242159193 1309621268 /nfs/dbraw/zinc/62/12/68/1309621268.db2.gz CPHCHHGCPOTORD-UHFFFAOYSA-N -2 0 342.336 2.205 20 0 EEADRL Cc1cc(-c2ccc3c(c2)S(=O)(=O)[N-]C3=O)cc(C)c1C(=O)[O-] ZINC001244946141 1310011348 /nfs/dbraw/zinc/01/13/48/1310011348.db2.gz BPBRDTISPUYABL-UHFFFAOYSA-N -2 0 331.349 2.101 20 0 EEADRL O=C([O-])Cc1c[nH]c2cc(Cl)c(N[C@@H]3SC(=O)[N-]C3=O)cc12 ZINC001163673881 1321189325 /nfs/dbraw/zinc/18/93/25/1321189325.db2.gz GYBUEKYROVSNSV-GFCCVEGCSA-N -2 0 339.760 2.169 20 0 EEADRL O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1cc(Br)cc(Cl)c1[O-] ZINC001601575735 1350310602 /nfs/dbraw/zinc/31/06/02/1350310602.db2.gz PHIAAIOYMFHVSM-KBTIHESUSA-N -2 0 348.580 2.401 20 0 EEADRL Cc1ccc(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)c(C(=O)[O-])c1 ZINC001607822031 1351565488 /nfs/dbraw/zinc/56/54/88/1351565488.db2.gz ONYOCFIDBRCBEA-UHFFFAOYSA-N -2 0 349.364 2.121 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)Nc2ccc(C(F)F)cc2)C1 ZINC001608617088 1351726496 /nfs/dbraw/zinc/72/64/96/1351726496.db2.gz WGMIRLHPYNOEHL-KOLCDFICSA-N -2 0 342.298 2.406 20 0 EEADRL O=C([O-])c1ccc2c(c1)OCCN(C(=O)c1cc(F)cc(F)c1[O-])C2 ZINC001608925289 1351795840 /nfs/dbraw/zinc/79/58/40/1351795840.db2.gz XVSNJSSNIOIKGO-UHFFFAOYSA-N -2 0 349.289 2.403 20 0 EEADRL O=C([O-])c1cccnc1CSc1nc(=O)cc([O-])n1C1CCCC1 ZINC001608950351 1351801401 /nfs/dbraw/zinc/80/14/01/1351801401.db2.gz LADFVLIQQNBZSQ-UHFFFAOYSA-N -2 0 347.396 2.450 20 0 EEADRL C[C@@H](CN(C)C(=O)Nc1cccc(CSCC(=O)[O-])c1)C(=O)[O-] ZINC001609741232 1352073983 /nfs/dbraw/zinc/07/39/83/1352073983.db2.gz CLTBHTGLPXQGCG-JTQLQIEISA-N -2 0 340.401 2.189 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])n2)cc(C)c1F ZINC001610478115 1352229549 /nfs/dbraw/zinc/22/95/49/1352229549.db2.gz LXHCOYHCBFBQAL-UHFFFAOYSA-N -2 0 338.360 2.265 20 0 EEADRL O=C([O-])c1c(Cl)cccc1S(=O)(=O)[N-]C(=O)CCCC1CC1 ZINC001610655117 1352257748 /nfs/dbraw/zinc/25/77/48/1352257748.db2.gz BEEFGZKNQFMOEC-UHFFFAOYSA-N -2 0 345.804 2.423 20 0 EEADRL Cc1c(C(=O)[O-])csc1NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC001600004434 1349953167 /nfs/dbraw/zinc/95/31/67/1349953167.db2.gz QQZGLWZPULADSG-UHFFFAOYSA-N -2 0 337.401 2.082 20 0 EEADRL Cc1cccc(C[C@H](CNC(=O)[C@H](C(=O)[O-])C(C)(C)C)C(=O)[O-])c1 ZINC001600528195 1350074106 /nfs/dbraw/zinc/07/41/06/1350074106.db2.gz XONRQFKWEJPXQH-ZIAGYGMSSA-N -2 0 335.400 2.101 20 0 EEADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001600770685 1350132611 /nfs/dbraw/zinc/13/26/11/1350132611.db2.gz KXEJOVUWFXTXCM-UONOGXRCSA-N -2 0 349.412 2.026 20 0 EEADRL Cc1sc(C)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC001600875927 1350157763 /nfs/dbraw/zinc/15/77/63/1350157763.db2.gz BGSNWWCBSJAOPU-UHFFFAOYSA-N -2 0 349.821 2.251 20 0 EEADRL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C(=O)CCCC2CC2)c1F ZINC001601265489 1350244901 /nfs/dbraw/zinc/24/49/01/1350244901.db2.gz OISIQPCGYYZKIX-UHFFFAOYSA-N -2 0 347.339 2.048 20 0 EEADRL O=C([O-])[C@@H]1C[C@@H]1CNC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC001601528730 1350301378 /nfs/dbraw/zinc/30/13/78/1350301378.db2.gz SQFZEFNPCVTXKA-IYSWYEEDSA-N -2 0 348.580 2.259 20 0 EEADRL O=C([O-])[C@@H]1CCc2sc(NC(=O)c3c([O-])cccc3F)nc2C1 ZINC001601632168 1350324232 /nfs/dbraw/zinc/32/42/32/1350324232.db2.gz VDMGKEXYEMVCNS-SSDOTTSWSA-N -2 0 336.344 2.430 20 0 EEADRL O=C([O-])[C@H]1CCCC[C@@H]1S(=O)(=O)[N-]CC(F)(F)c1ccccc1 ZINC001601809834 1350369639 /nfs/dbraw/zinc/36/96/39/1350369639.db2.gz JGUBEOLXBHYJOA-STQMWFEESA-N -2 0 347.383 2.341 20 0 EEADRL O=C([O-])CCN(CC(=O)[O-])Cc1cc(-c2ccc(Cl)cc2)no1 ZINC001602004637 1350416373 /nfs/dbraw/zinc/41/63/73/1350416373.db2.gz JCYZVHNVHKPHDG-UHFFFAOYSA-N -2 0 338.747 2.356 20 0 EEADRL O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)c2c([O-])cccc2F)C1 ZINC001602195515 1350463074 /nfs/dbraw/zinc/46/30/74/1350463074.db2.gz ZOAPDEYRQQOQQP-SFYZADRCSA-N -2 0 335.253 2.257 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(n2)CCC3)oc1Cl ZINC001602297743 1350487574 /nfs/dbraw/zinc/48/75/74/1350487574.db2.gz NULLSAMZABXTQI-UHFFFAOYSA-N -2 0 342.760 2.316 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]CC(F)(F)c2ccc(F)cc2)c1 ZINC001602557428 1350545868 /nfs/dbraw/zinc/54/58/68/1350545868.db2.gz WPDAIQRPBDZBKG-UHFFFAOYSA-N -2 0 349.286 2.187 20 0 EEADRL CC(C)c1oncc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001604029362 1350833781 /nfs/dbraw/zinc/83/37/81/1350833781.db2.gz JFKDDMGXNPKQIE-UHFFFAOYSA-N -2 0 328.321 2.436 20 0 EEADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001604518620 1350953851 /nfs/dbraw/zinc/95/38/51/1350953851.db2.gz JHLYFVNNKSYWDY-BFUOFWGJSA-N -2 0 345.395 2.422 20 0 EEADRL C[C@H]1CCC[C@@H]1CC(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001604724083 1350991845 /nfs/dbraw/zinc/99/18/45/1350991845.db2.gz HMMRFAJCTGEOCI-WCQYABFASA-N -2 0 339.413 2.157 20 0 EEADRL CC[C@H](C)CO[N-]C(=O)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001604955352 1351038770 /nfs/dbraw/zinc/03/87/70/1351038770.db2.gz FOJOFJOKOYQUDR-QMMMGPOBSA-N -2 0 328.752 2.071 20 0 EEADRL COc1cc(Cl)ccc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001607167116 1351441760 /nfs/dbraw/zinc/44/17/60/1351441760.db2.gz LKBWIECYBZPOEH-UHFFFAOYSA-N -2 0 348.789 2.304 20 0 EEADRL Cc1cc(S(=O)(=O)NCCCCCCC(=O)[O-])ccc1C(=O)[O-] ZINC001607707630 1351543324 /nfs/dbraw/zinc/54/33/24/1351543324.db2.gz MXCAGBUXGVGXES-UHFFFAOYSA-N -2 0 343.401 2.007 20 0 EEADRL Cc1csc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1C(=O)[O-] ZINC001607932579 1351588310 /nfs/dbraw/zinc/58/83/10/1351588310.db2.gz NJXGXRLKGPFEAV-VIFPVBQESA-N -2 0 326.374 2.473 20 0 EEADRL Cc1n[nH]cc1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC001607939851 1351589877 /nfs/dbraw/zinc/58/98/77/1351589877.db2.gz WMDXDRRWSUKRMB-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL O=C([O-])[C@@H](CNC(=O)c1cccc(Br)c1[O-])CC1CC1 ZINC001608419282 1351690884 /nfs/dbraw/zinc/69/08/84/1351690884.db2.gz KWCGAUOUPUOUEI-SECBINFHSA-N -2 0 342.189 2.385 20 0 EEADRL Cc1ccc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)n1 ZINC001195202090 1368510065 /nfs/dbraw/zinc/51/00/65/1368510065.db2.gz NBCVFENVFTUVEA-UHFFFAOYSA-N -2 0 346.286 2.306 20 0 EEADRL CN(Cc1n[n-]c(=O)o1)[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001606175388 1404772287 /nfs/dbraw/zinc/77/22/87/1404772287.db2.gz FUEHJOZFPWSBRP-JTQLQIEISA-N -2 0 332.143 2.340 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCCCc1ccccc1 ZINC000910181009 786513696 /nfs/dbraw/zinc/51/36/96/786513696.db2.gz BRISCCAWZLVIGY-LSDHHAIUSA-N -2 0 333.384 2.176 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000910185323 786516411 /nfs/dbraw/zinc/51/64/11/786516411.db2.gz HKQYHEQIWLJODU-KCJUWKMLSA-N -2 0 346.166 2.383 20 0 EEADRL CC(C)(C)SCCCC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910185506 786517514 /nfs/dbraw/zinc/51/75/14/786517514.db2.gz WPIPAMXVIPHXPL-GHMZBOCLSA-N -2 0 331.434 2.075 20 0 EEADRL C/C(=C/c1ccc(C)cc1)C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910185765 786517808 /nfs/dbraw/zinc/51/78/08/786517808.db2.gz LBUAGPXZSZKNPI-PVBRJXJSSA-N -2 0 331.368 2.175 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000910186253 786518718 /nfs/dbraw/zinc/51/87/18/786518718.db2.gz PCBLCQWYRAORHL-RDDDGLTNSA-N -2 0 346.166 2.383 20 0 EEADRL CCc1sc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])cc1C ZINC000910187086 786519413 /nfs/dbraw/zinc/51/94/13/786519413.db2.gz YUWYHXYRZMRVDH-VHSXEESVSA-N -2 0 325.386 2.009 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1 ZINC000910191702 786523701 /nfs/dbraw/zinc/52/37/01/786523701.db2.gz KREVWYAPXDDIQH-VQJWOFKYSA-N -2 0 337.416 2.369 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2c[nH]nc2C(F)(F)F)c(C(=O)[O-])c1 ZINC000821163147 786640844 /nfs/dbraw/zinc/64/08/44/786640844.db2.gz HYCHUHPOAPYLCE-UHFFFAOYSA-N -2 0 349.290 2.236 20 0 EEADRL Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000788495261 807551633 /nfs/dbraw/zinc/55/16/33/807551633.db2.gz CKGXYWVZXIMZJR-UHFFFAOYSA-N -2 0 342.760 2.248 20 0 EEADRL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2F)s1 ZINC000390691074 972299049 /nfs/dbraw/zinc/29/90/49/972299049.db2.gz AMWZMURODMBTSG-UHFFFAOYSA-N -2 0 344.320 2.397 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000392156952 972417075 /nfs/dbraw/zinc/41/70/75/972417075.db2.gz BPDLVLCWDWYASB-UHFFFAOYSA-N -2 0 349.364 2.333 20 0 EEADRL O=C([O-])C=Cc1ccc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)cc1 ZINC000392219606 972429316 /nfs/dbraw/zinc/42/93/16/972429316.db2.gz SWIWZNGHEZEKJR-TWGQIWQCSA-N -2 0 343.364 2.462 20 0 EEADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(F)n2)c1 ZINC000228290105 960007867 /nfs/dbraw/zinc/00/78/67/960007867.db2.gz ZDUOPJIGBYXLQJ-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])C1 ZINC001574592313 962133620 /nfs/dbraw/zinc/13/36/20/962133620.db2.gz PRLYELCHMXYMAU-KOLCDFICSA-N -2 0 349.774 2.214 20 0 EEADRL CC(C)c1c(NS(=O)(=O)CCC(=O)[O-])cnn1-c1ccccc1 ZINC001591923896 976403726 /nfs/dbraw/zinc/40/37/26/976403726.db2.gz WDBPBEKTKYSQPN-UHFFFAOYSA-N -2 0 337.401 2.212 20 0 EEADRL CC(C)n1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)n1 ZINC000794881541 978825716 /nfs/dbraw/zinc/82/57/16/978825716.db2.gz DBEXAWMOJHYBOA-UHFFFAOYSA-N -2 0 345.327 2.241 20 0 EEADRL CC[C@@H](CC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1)C(C)C ZINC001595029817 979161436 /nfs/dbraw/zinc/16/14/36/979161436.db2.gz GUIKGUXQXXIRQI-IRSUPMPHSA-N -2 0 325.405 2.083 20 0 EEADRL CCC(CC)(CNC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1)C(=O)[O-] ZINC001595068754 979334260 /nfs/dbraw/zinc/33/42/60/979334260.db2.gz SJOITGDVWANONA-UHFFFAOYSA-N -2 0 340.376 2.319 20 0 EEADRL CCCn1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC001596126086 983464559 /nfs/dbraw/zinc/46/45/59/983464559.db2.gz VFNMIHAQVXOJSM-UHFFFAOYSA-N -2 0 341.364 2.240 20 0 EEADRL C[C@H]1CN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CC[C@H]1C(=O)[O-] ZINC001594479351 985514650 /nfs/dbraw/zinc/51/46/50/985514650.db2.gz WDXBDKWLDNKWBC-IONNQARKSA-N -2 0 342.298 2.238 20 0 EEADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)[C@@H](C)C(C)C ZINC001599948567 985570116 /nfs/dbraw/zinc/57/01/16/985570116.db2.gz PYFCEAIUYJOMNG-WDEREUQCSA-N -2 0 329.418 2.360 20 0 EEADRL CCc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc2c1OCO2 ZINC001597578921 988376995 /nfs/dbraw/zinc/37/69/95/988376995.db2.gz MUPQLAJXKAECHA-UHFFFAOYSA-N -2 0 349.364 2.477 20 0 EEADRL CSc1cccc(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1 ZINC001599824582 988575689 /nfs/dbraw/zinc/57/56/89/988575689.db2.gz FPNYXROSSNJHMJ-CABZTGNLSA-N -2 0 338.385 2.190 20 0 EEADRL CCn1cnc(S(=O)(=O)[N-]c2c(C)c(C(=O)[O-])ccc2Cl)c1 ZINC001597920448 989847437 /nfs/dbraw/zinc/84/74/37/989847437.db2.gz FQTNPQBDOVVPSE-UHFFFAOYSA-N -2 0 343.792 2.364 20 0 EEADRL CC(C)(C)c1ccnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)n1 ZINC001590515464 990125896 /nfs/dbraw/zinc/12/58/96/990125896.db2.gz MGONYRKTHPHGST-UHFFFAOYSA-N -2 0 341.414 2.335 20 0 EEADRL CC(C)(CS(=O)(=O)[N-]C(=O)C[C@H]1CCCCC1(C)C)C(=O)[O-] ZINC001590798080 990618424 /nfs/dbraw/zinc/61/84/24/990618424.db2.gz KOFLFPNLXUVDHY-LLVKDONJSA-N -2 0 333.450 2.150 20 0 EEADRL C[C@@H](OC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-])C(=O)[O-] ZINC001593601391 995757153 /nfs/dbraw/zinc/75/71/53/995757153.db2.gz NPMKLAGXDCTKJN-SSDOTTSWSA-N -2 0 344.245 2.227 20 0 EEADRL COc1ccc(C(=O)[O-])c(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])c1 ZINC001599490331 996927707 /nfs/dbraw/zinc/92/77/07/996927707.db2.gz XYWAQCWIRQQBNY-SNVBAGLBSA-N -2 0 338.360 2.262 20 0 EEADRL C[C@H]1CCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001594357776 999352421 /nfs/dbraw/zinc/35/24/21/999352421.db2.gz OTUKMUZXSTWDKV-WDEREUQCSA-N -2 0 325.386 2.016 20 0 EEADRL Cc1cc(C(=O)Nc2cc(F)cc(Cl)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000177781306 539561769 /nfs/dbraw/zinc/56/17/69/539561769.db2.gz NEZKLZAOFMBAMX-UHFFFAOYSA-N -2 0 348.721 2.377 20 0 EEADRL O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1c[n-]n2c1nccc2=O ZINC000339345849 160845600 /nfs/dbraw/zinc/84/56/00/160845600.db2.gz KXPKKKTXXISABL-UHFFFAOYSA-N -2 0 339.138 2.287 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(C)C)c1C ZINC000346490725 161376769 /nfs/dbraw/zinc/37/67/69/161376769.db2.gz UHKJFOCIBYRNJG-UHFFFAOYSA-N -2 0 341.389 2.248 20 0 EEADRL CSCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000352976548 162370550 /nfs/dbraw/zinc/37/05/50/162370550.db2.gz IRDOREOPEQEHPM-UHFFFAOYSA-N -2 0 340.426 2.387 20 0 EEADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cnoc2C2CC2)cc1 ZINC000414388638 313009565 /nfs/dbraw/zinc/00/95/65/313009565.db2.gz ZOJPXLDVBXOXNX-UHFFFAOYSA-N -2 0 336.369 2.370 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnc3ccccc3c2)cc1O ZINC000436884406 315009143 /nfs/dbraw/zinc/00/91/43/315009143.db2.gz BYGIZGPUJNAISP-UHFFFAOYSA-N -2 0 344.348 2.439 20 0 EEADRL Cc1cc(C)cc([C@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-])c1 ZINC000547585554 318301341 /nfs/dbraw/zinc/30/13/41/318301341.db2.gz SBYRQIYYXLZOSA-ONGXEEELSA-N -2 0 339.335 2.299 20 0 EEADRL Cc1[n-]n(-c2cccc(-c3cnn(C)c3C)c2)c(=O)c1CC(=O)[O-] ZINC000564469740 319087426 /nfs/dbraw/zinc/08/74/26/319087426.db2.gz BJTATPYAEVUNMP-CQSZACIVSA-N -2 0 326.356 2.209 20 0 EEADRL CCc1nn(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000091021616 462821440 /nfs/dbraw/zinc/82/14/40/462821440.db2.gz SHFPADRZZQMABN-UHFFFAOYSA-N -2 0 343.792 2.135 20 0 EEADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000013078764 462884787 /nfs/dbraw/zinc/88/47/87/462884787.db2.gz OSFPGERVJFYDPH-UHFFFAOYSA-N -2 0 327.308 2.393 20 0 EEADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c1 ZINC000024433425 463085271 /nfs/dbraw/zinc/08/52/71/463085271.db2.gz XYZVBMSKZOVTQW-UHFFFAOYSA-N -3 0 345.329 2.084 20 0 EEADRL Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000126890377 463669231 /nfs/dbraw/zinc/66/92/31/463669231.db2.gz VXSFYKIUQIAJIK-UHFFFAOYSA-N -2 0 340.332 2.499 20 0 EEADRL COc1cccc(OC)c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000170084386 463675037 /nfs/dbraw/zinc/67/50/37/463675037.db2.gz IFJGFXQLOIOBKT-UHFFFAOYSA-N -2 0 337.353 2.203 20 0 EEADRL COCc1ccccc1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC000351827365 465385517 /nfs/dbraw/zinc/38/55/17/465385517.db2.gz MRCMOYOCFTZDRS-UHFFFAOYSA-N -2 0 339.344 2.471 20 0 EEADRL CC(C)Cc1ncc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cn1 ZINC000357069107 465742259 /nfs/dbraw/zinc/74/22/59/465742259.db2.gz HBPSWQMVDWWJPP-UHFFFAOYSA-N -2 0 349.412 2.103 20 0 EEADRL O=C([O-])CCC(=O)Nc1ccccc1S(=O)(=O)[N-]c1ccccc1 ZINC000338189647 465886800 /nfs/dbraw/zinc/88/68/00/465886800.db2.gz NPYGUCOFYQKLPU-UHFFFAOYSA-N -2 0 348.380 2.291 20 0 EEADRL CCCc1ccc([N-]S(=O)(=O)c2c(C)cnn2C)c(C(=O)[O-])c1 ZINC000349085622 465959061 /nfs/dbraw/zinc/95/90/61/465959061.db2.gz PUBUSVLYRDWXQW-UHFFFAOYSA-N -2 0 337.401 2.180 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)sc1C(=O)[O-] ZINC000361782922 466284451 /nfs/dbraw/zinc/28/44/51/466284451.db2.gz UNSDWBRZEJELHQ-UHFFFAOYSA-N -2 0 337.329 2.147 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)c[nH]1 ZINC000321644013 466624866 /nfs/dbraw/zinc/62/48/66/466624866.db2.gz PVJVVLGABMIAJP-UHFFFAOYSA-N -2 0 333.325 2.169 20 0 EEADRL O=C([O-])c1ccc(CS(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000647920076 471016287 /nfs/dbraw/zinc/01/62/87/471016287.db2.gz QDYYICNMXKETEB-UHFFFAOYSA-N -2 0 335.337 2.025 20 0 EEADRL C[C@H](NC(=O)N=c1[n-]nc(C(F)F)s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653537503 471657377 /nfs/dbraw/zinc/65/73/77/471657377.db2.gz XZRWSIQGLXCZIZ-LYFYHCNISA-N -2 0 348.375 2.155 20 0 EEADRL O=C([O-])[C@H](C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)C1CCCC1 ZINC000663120369 472365701 /nfs/dbraw/zinc/36/57/01/472365701.db2.gz QCROHKZWZALNEG-ILXRZTDVSA-N -2 0 331.368 2.307 20 0 EEADRL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1c(F)cccc1C(=O)[O-] ZINC000759110437 577637287 /nfs/dbraw/zinc/63/72/87/577637287.db2.gz IPHXYKDRLUCMIP-UHFFFAOYSA-N -2 0 347.755 2.020 20 0 EEADRL O=C([O-])N1CCC[C@H](NC(=O)c2cccc(Br)c2[O-])C1 ZINC000739388894 578051668 /nfs/dbraw/zinc/05/16/68/578051668.db2.gz QXBFAJZRCOJTOZ-QMMMGPOBSA-N -2 0 343.177 2.027 20 0 EEADRL O=C([O-])CCc1nnc([N-]C(=O)c2cc(-c3ccccc3)on2)s1 ZINC000739778923 578067524 /nfs/dbraw/zinc/06/75/24/578067524.db2.gz ZXZAFRGOGSLREN-UHFFFAOYSA-N -2 0 344.352 2.463 20 0 EEADRL C[C@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])c1cccs1 ZINC000736214425 578188381 /nfs/dbraw/zinc/18/83/81/578188381.db2.gz GLOICIGPAGOTOJ-ZETCQYMHSA-N -2 0 345.423 2.116 20 0 EEADRL CC(C)(CC(=O)Nc1cccc(CSCC(=O)[O-])c1)C(=O)[O-] ZINC000736309231 578194690 /nfs/dbraw/zinc/19/46/90/578194690.db2.gz BTRBFSPREFFNJP-UHFFFAOYSA-N -2 0 325.386 2.444 20 0 EEADRL C[C@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736540755 578210226 /nfs/dbraw/zinc/21/02/26/578210226.db2.gz KROVIAVKVYOZKG-MRVPVSSYSA-N -2 0 341.414 2.415 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)o1 ZINC000320102751 599737344 /nfs/dbraw/zinc/73/73/44/599737344.db2.gz QMLXTERQYAXFBC-UHFFFAOYSA-N -2 0 333.325 2.169 20 0 EEADRL C/C(=C\C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)C(C)(C)C ZINC000825723911 600941053 /nfs/dbraw/zinc/94/10/53/600941053.db2.gz DJTPHGCCJLDRPR-BQYQJAHWSA-N -2 0 331.415 2.244 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C)cc1C(=O)[O-] ZINC000832888102 601230522 /nfs/dbraw/zinc/23/05/22/601230522.db2.gz DLTSSKXXBRWBFK-UHFFFAOYSA-N -2 0 338.385 2.461 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2ccc(-c3ncon3)cc2)cc1C(=O)[O-] ZINC000833030406 601233349 /nfs/dbraw/zinc/23/33/49/601233349.db2.gz VCPDENFXBJXULA-UHFFFAOYSA-N -2 0 349.324 2.137 20 0 EEADRL CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(C(=O)[O-])s1 ZINC000832704083 601402574 /nfs/dbraw/zinc/40/25/74/601402574.db2.gz WMSDXPKWCDKRST-UHFFFAOYSA-N -2 0 340.382 2.070 20 0 EEADRL CCCn1cc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cn1 ZINC000080309883 601484483 /nfs/dbraw/zinc/48/44/83/601484483.db2.gz YPORXJRNPSIMHK-UHFFFAOYSA-N -2 0 345.327 2.070 20 0 EEADRL CC(C)c1nnc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)s1 ZINC000827168830 601503423 /nfs/dbraw/zinc/50/34/23/601503423.db2.gz ZMUGYWBWXLBXFL-UHFFFAOYSA-N -2 0 341.414 2.089 20 0 EEADRL O=C([O-])CCN(Cc1ccncc1)C(=O)c1c([O-])cc(F)cc1F ZINC000833234112 601562581 /nfs/dbraw/zinc/56/25/81/601562581.db2.gz FESMPFAZJGYPPC-UHFFFAOYSA-N -2 0 336.294 2.183 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc2ccccc2n1 ZINC000832917829 601847957 /nfs/dbraw/zinc/84/79/57/601847957.db2.gz AVZLEHVVHWTSSZ-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)n[nH]c1C1CC1 ZINC000832853423 602103189 /nfs/dbraw/zinc/10/31/89/602103189.db2.gz KXHHHMOOXWNHDW-WTKPLQERSA-N -2 0 347.396 2.494 20 0 EEADRL CCc1csc([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)n1 ZINC000833676965 605011517 /nfs/dbraw/zinc/01/15/17/605011517.db2.gz XRHHIWYRVDHATB-UHFFFAOYSA-N -2 0 326.399 2.346 20 0 EEADRL Cc1sc([N-]S(=O)(=O)c2cn(C)c(Cl)n2)c(C(=O)[O-])c1C ZINC000833758041 605022752 /nfs/dbraw/zinc/02/27/52/605022752.db2.gz JPRIQZFIYAXTJC-UHFFFAOYSA-N -2 0 349.821 2.251 20 0 EEADRL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C[C@@H](C)C1 ZINC000833594764 605678532 /nfs/dbraw/zinc/67/85/32/605678532.db2.gz PTHJOPKUGJXBKD-MYJAWHEDSA-N -2 0 345.442 2.324 20 0 EEADRL CC(C)[C@@]1(C)C[C@@H]1C(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000188256212 1208664098 /nfs/dbraw/zinc/66/40/98/1208664098.db2.gz AUXBBCNWOIQWGC-FZKQIMNGSA-N -2 0 342.399 2.021 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncc3ccccc3n2)ccc1F ZINC001186143709 1278968712 /nfs/dbraw/zinc/96/87/12/1278968712.db2.gz QZIQEQUHKIJFFX-UHFFFAOYSA-N -2 0 347.327 2.268 20 0 EEADRL COc1cccc(O)c1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186187871 1278982921 /nfs/dbraw/zinc/98/29/21/1278982921.db2.gz AYRYFLWYHXPTIB-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL O=C([O-])COc1ccc(S(=O)(=O)Nc2ccccc2[S-])cc1 ZINC001192714283 1282149229 /nfs/dbraw/zinc/14/92/29/1282149229.db2.gz IYQYBYUOQZMJLC-UHFFFAOYSA-N -2 0 339.394 2.240 20 0 EEADRL COc1cc(-c2noc(-c3ccccc3OP(=O)([O-])[O-])n2)ccn1 ZINC001216745979 1297274680 /nfs/dbraw/zinc/27/46/80/1297274680.db2.gz JTFVWRHSLMVKLR-UHFFFAOYSA-N -2 0 349.239 2.279 20 0 EEADRL COc1cccc(-c2noc(-c3ccccc3OP(=O)([O-])[O-])n2)n1 ZINC001216745411 1297274755 /nfs/dbraw/zinc/27/47/55/1297274755.db2.gz APOGTDYBJGIMCL-UHFFFAOYSA-N -2 0 349.239 2.279 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc2c(s1)CCC2 ZINC000315349519 1298425593 /nfs/dbraw/zinc/42/55/93/1298425593.db2.gz PHOWNRRUZOUMIC-UHFFFAOYSA-N -2 0 338.410 2.439 20 0 EEADRL CN(C)S(=O)(=O)c1cccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242162018 1309624387 /nfs/dbraw/zinc/62/43/87/1309624387.db2.gz APHHUTULJRFTJN-UHFFFAOYSA-N -2 0 349.364 2.000 20 0 EEADRL COC(=O)Cc1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1OC ZINC001242164339 1309625180 /nfs/dbraw/zinc/62/51/80/1309625180.db2.gz JUKTXIYIOXVSSZ-UHFFFAOYSA-N -2 0 344.319 2.474 20 0 EEADRL CCOC(=O)C(C)(C)n1cc(-c2c(C(=O)[O-])cccc2C(=O)[O-])cn1 ZINC001245436909 1310104312 /nfs/dbraw/zinc/10/43/12/1310104312.db2.gz VKLRBRXNSGOXEP-UHFFFAOYSA-N -2 0 346.339 2.245 20 0 EEADRL Nc1ccccc1-c1cc(=O)n(-c2ccc(S(=O)(=O)[O-])cc2)[n-]1 ZINC001245946172 1310193675 /nfs/dbraw/zinc/19/36/75/1310193675.db2.gz BGGPBMPOWQQXQN-UHFFFAOYSA-N -2 0 331.353 2.074 20 0 EEADRL O=S(=O)([N-]c1cccc(C(F)(F)F)c1[O-])C1CCOCC1 ZINC001259916058 1319736699 /nfs/dbraw/zinc/73/66/99/1319736699.db2.gz LGHGESCSEGMNJP-UHFFFAOYSA-N -2 0 325.308 2.332 20 0 EEADRL Cc1cc2nc(Cl)c(NCCOP(=O)([O-])[O-])nc2cc1C ZINC001157790636 1318863618 /nfs/dbraw/zinc/86/36/18/1318863618.db2.gz BXSVECHYFPPUNX-UHFFFAOYSA-N -2 0 331.696 2.421 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cc([O-])c(F)c(F)c2)c(OC)c1 ZINC001258959911 1319394394 /nfs/dbraw/zinc/39/43/94/1319394394.db2.gz VWAXABNSVMSNCS-UHFFFAOYSA-N -2 0 345.323 2.488 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2nc3ccc(F)cc3o2)c1 ZINC001260182895 1319816995 /nfs/dbraw/zinc/81/69/95/1319816995.db2.gz SXAMQGDHVGGUED-UHFFFAOYSA-N -2 0 336.300 2.466 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2nsc3ncccc23)c1 ZINC001260183965 1319818878 /nfs/dbraw/zinc/81/88/78/1319818878.db2.gz LCPCGSSZHFACMT-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc3c2NC(=O)CC3)c1 ZINC001260190940 1319821892 /nfs/dbraw/zinc/82/18/92/1319821892.db2.gz OFYGYDXVKHAQJG-UHFFFAOYSA-N -2 0 346.364 2.070 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ncc(Cl)cc2O)c1 ZINC001260209652 1319832578 /nfs/dbraw/zinc/83/25/78/1319832578.db2.gz PWRYPWKGKHLDCY-UHFFFAOYSA-N -2 0 346.723 2.079 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n(C(C)C)n1 ZINC001260209634 1319833339 /nfs/dbraw/zinc/83/33/39/1319833339.db2.gz OWJKBNOGYWGMAE-UHFFFAOYSA-N -2 0 341.364 2.411 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2O)cc1 ZINC001260228497 1319840061 /nfs/dbraw/zinc/84/00/61/1319840061.db2.gz HLDKOMLHGCDCOB-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccccc1[S-] ZINC001260521247 1319904188 /nfs/dbraw/zinc/90/41/88/1319904188.db2.gz SIZOAXDSNIYTJB-UHFFFAOYSA-N -2 0 343.451 2.180 20 0 EEADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(N)ccc1C ZINC001210258695 1325217550 /nfs/dbraw/zinc/21/75/50/1325217550.db2.gz SSSPURCTMQLNKY-UHFFFAOYSA-N -2 0 336.369 2.085 20 0 EEADRL CC[C@@H](CC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1)C(C)(C)C ZINC001604980280 1351044089 /nfs/dbraw/zinc/04/40/89/1351044089.db2.gz CBRCVRBFWKXMIB-NKXNIHSHSA-N -2 0 339.432 2.473 20 0 EEADRL Nc1c(NC(=O)c2cc(F)c(F)c([O-])c2F)cccc1C(=O)[O-] ZINC001608269772 1351659600 /nfs/dbraw/zinc/65/96/00/1351659600.db2.gz ADVWJIRYKIEYQL-UHFFFAOYSA-N -2 0 326.230 2.342 20 0 EEADRL O=C([O-])[C@@H]1CCN(C(=O)c2cc3c(cc2O)OCO3)[C@H]2CCCC[C@@H]12 ZINC001608633143 1351730075 /nfs/dbraw/zinc/73/00/75/1351730075.db2.gz RHWRHJMOPZALSM-LOWVWBTDSA-N -2 0 347.367 2.226 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)/C=C\c2cccc(Cl)c2)nn1 ZINC001608905425 1351791084 /nfs/dbraw/zinc/79/10/84/1351791084.db2.gz ZRQAVSYEXGCFBX-SREVYHEPSA-N -2 0 339.760 2.241 20 0 EEADRL O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cnn(C2CCCC2)c1 ZINC001608948543 1351800926 /nfs/dbraw/zinc/80/09/26/1351800926.db2.gz IYTMZVDXMAGJRC-UHFFFAOYSA-N -2 0 335.385 2.497 20 0 EEADRL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)C1CCC1 ZINC001609635953 1352047257 /nfs/dbraw/zinc/04/72/57/1352047257.db2.gz KFAUIZQNXGFZLD-QMMMGPOBSA-N -2 0 345.804 2.279 20 0 EEADRL CCCCC[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])C(C)C ZINC001609964784 1352131604 /nfs/dbraw/zinc/13/16/04/1352131604.db2.gz MPFRGKMJTIOCAG-UPJWGTAASA-N -2 0 335.466 2.394 20 0 EEADRL CC[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])CC1 ZINC001610054119 1352150969 /nfs/dbraw/zinc/15/09/69/1352150969.db2.gz CTZPYBJLTDLSQY-MGCOHNPYSA-N -2 0 345.442 2.468 20 0 EEADRL CN(c1ccccc1C(=O)[O-])S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001610127595 1352168297 /nfs/dbraw/zinc/16/82/97/1352168297.db2.gz SEBIJLURELUKLX-UHFFFAOYSA-N -2 0 349.364 2.049 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nnc(CC(C)(C)C)o1 ZINC001610579280 1352248544 /nfs/dbraw/zinc/24/85/44/1352248544.db2.gz RSWTWENBCYBVQM-UHFFFAOYSA-N -2 0 343.361 2.059 20 0 EEADRL C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cccc(Br)c1[O-] ZINC001599878004 1349948824 /nfs/dbraw/zinc/94/88/24/1349948824.db2.gz XTRTZBKNJZAOAT-RKDXNWHRSA-N -2 0 342.189 2.480 20 0 EEADRL Cc1cc(NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)cc(C(=O)[O-])c1 ZINC001600272971 1350008146 /nfs/dbraw/zinc/00/81/46/1350008146.db2.gz IHCYXGLDRCMHNX-NSHDSACASA-N -2 0 346.305 2.335 20 0 EEADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)N[C@H](CC(=O)[O-])C3CC3)n2)c1 ZINC001600427594 1350048816 /nfs/dbraw/zinc/04/88/16/1350048816.db2.gz YNAMKGVPUWTVKF-GFCCVEGCSA-N -2 0 347.346 2.009 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2nc(C(=O)[O-])c(C(C)C)s2)cn1 ZINC001600483662 1350062604 /nfs/dbraw/zinc/06/26/04/1350062604.db2.gz FBRKVVSHCZMSSU-UHFFFAOYSA-N -2 0 341.414 2.469 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2cccc3c2CN(C)C3)cc1C(=O)[O-] ZINC001600857159 1350153786 /nfs/dbraw/zinc/15/37/86/1350153786.db2.gz WLYWAQMOTBOXPX-UHFFFAOYSA-N -2 0 336.369 2.032 20 0 EEADRL O=C([O-])c1cnn(CC(=O)Nc2cc(Cl)cc(Cl)c2[O-])c1 ZINC001601379332 1350270683 /nfs/dbraw/zinc/27/06/83/1350270683.db2.gz KKMUESSNUYNVQH-UHFFFAOYSA-N -2 0 330.127 2.232 20 0 EEADRL O=C([O-])CCCO[N-]C(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC001601995899 1350413759 /nfs/dbraw/zinc/41/37/59/1350413759.db2.gz VRAGNQQXRKZQCQ-UHFFFAOYSA-N -2 0 346.170 2.096 20 0 EEADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1ccnn1C1CCC1 ZINC001602229904 1350471375 /nfs/dbraw/zinc/47/13/75/1350471375.db2.gz JUOZZKWYSVFSHW-UHFFFAOYSA-N -2 0 339.348 2.246 20 0 EEADRL O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001602328462 1350495539 /nfs/dbraw/zinc/49/55/39/1350495539.db2.gz UUJUFMIWZIOHND-SSDOTTSWSA-N -2 0 346.261 2.342 20 0 EEADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cc2sccc2s1 ZINC001603186894 1350658002 /nfs/dbraw/zinc/65/80/02/1350658002.db2.gz CVFZWXNIOPXPJB-RNFRBKRXSA-N -2 0 347.439 2.132 20 0 EEADRL CC(C)(C(=O)[O-])[C@@H](NC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001603248401 1350670624 /nfs/dbraw/zinc/67/06/24/1350670624.db2.gz XOAJBVNZNZHTMB-KGLIPLIRSA-N -2 0 348.399 2.345 20 0 EEADRL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nn2)s1 ZINC001603544012 1350717896 /nfs/dbraw/zinc/71/78/96/1350717896.db2.gz UMOFYKJQFHCYOA-UHFFFAOYSA-N -2 0 341.414 2.335 20 0 EEADRL CC(C)(C)n1nccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001603568836 1350721214 /nfs/dbraw/zinc/72/12/14/1350721214.db2.gz LNIFIGYEMBRSTC-UHFFFAOYSA-N -2 0 341.364 2.276 20 0 EEADRL CC(C)[C@@H](CNC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)C(=O)[O-] ZINC001603723405 1350751507 /nfs/dbraw/zinc/75/15/07/1350751507.db2.gz VDUXUMQCJDXWGR-GFCCVEGCSA-N -2 0 333.344 2.344 20 0 EEADRL CC(C)C[C@@H](CNC(=O)Nc1cccc(OCC(=O)[O-])c1)C(=O)[O-] ZINC001603776017 1350765262 /nfs/dbraw/zinc/76/52/62/1350765262.db2.gz RDZHPKIZLRHWMD-NSHDSACASA-N -2 0 338.360 2.018 20 0 EEADRL CC(C)C[C@H](CNC(=O)N1CCC(CC(=O)[O-])CC1)CC(=O)[O-] ZINC001603838398 1350779314 /nfs/dbraw/zinc/77/93/14/1350779314.db2.gz NSJFWLMAGFYDOS-ZDUSSCGKSA-N -2 0 328.409 2.020 20 0 EEADRL C[C@]1([N-]C(=O)C(F)(F)F)CC[N@H+](Cc2ccc(/C=C\C(=O)[O-])o2)C1 ZINC001604589461 1350965744 /nfs/dbraw/zinc/96/57/44/1350965744.db2.gz PKOLDTSKNDLVQF-WSNITJDQSA-N -2 0 346.305 2.020 20 0 EEADRL C[C@@H]1CCCC[C@H]1CC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001604723408 1350991858 /nfs/dbraw/zinc/99/18/58/1350991858.db2.gz ANDXSEFBKCTISM-NEPJUHHUSA-N -2 0 339.413 2.406 20 0 EEADRL CCC1CCC(NC(=O)c2ccc3oc(=O)nc-3[n-]2)(C(=O)[O-])CC1 ZINC001605156040 1351089831 /nfs/dbraw/zinc/08/98/31/1351089831.db2.gz CIBQWRQKZDRZBC-UHFFFAOYSA-N -2 0 333.344 2.082 20 0 EEADRL CCCC(CCC)C(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001605211915 1351105418 /nfs/dbraw/zinc/10/54/18/1351105418.db2.gz RMJMXRTZBZRINU-UIORMTCPSA-N -2 0 325.405 2.227 20 0 EEADRL CO[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2[O-])[C@@](C)(C(=O)[O-])C1 ZINC001606765947 1351353657 /nfs/dbraw/zinc/35/36/57/1351353657.db2.gz WZPDMYPQRDLSPM-RMLUDKJBSA-N -2 0 347.289 2.115 20 0 EEADRL O=S(=O)([N-]c1ccc2c(c1)CCCC2)c1ccc(-c2nnn[n-]2)o1 ZINC001607068832 1351406391 /nfs/dbraw/zinc/40/63/91/1351406391.db2.gz BSAFENXLWHJXNF-UHFFFAOYSA-N -2 0 345.384 2.139 20 0 EEADRL Cc1ccc2[nH]c([N-]S(=O)(=O)c3cnc(C)c(C(=O)[O-])c3)nc2c1 ZINC001607828302 1351566757 /nfs/dbraw/zinc/56/67/57/1351566757.db2.gz LDXAXUGKRFQDBL-UHFFFAOYSA-N -2 0 346.368 2.074 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccnc2)c(Cl)cc1F ZINC001193965784 1368483321 /nfs/dbraw/zinc/48/33/21/1368483321.db2.gz ULMQRIHQKJIVRA-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL COc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(C)c(C(=O)[O-])c1 ZINC001211603834 761062960 /nfs/dbraw/zinc/06/29/60/761062960.db2.gz GUAFNKFWTWABCU-UHFFFAOYSA-N -2 0 336.369 2.085 20 0 EEADRL CC(C)[C@H](NS(=O)(=O)c1csc(C(=O)[O-])c1)C(F)(F)F ZINC000906947380 784289140 /nfs/dbraw/zinc/28/91/40/784289140.db2.gz JFPOMCRAWHWIIO-QMMMGPOBSA-N -2 0 331.337 2.312 20 0 EEADRL O=C([O-])C[C@@H]1CSCCN1C(=O)c1ccc(C(F)(F)F)cc1O ZINC000909015551 785950080 /nfs/dbraw/zinc/95/00/80/785950080.db2.gz DPCUGNNWJIPCMK-SECBINFHSA-N -2 0 349.330 2.443 20 0 EEADRL C[C@H](C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000910192135 786523433 /nfs/dbraw/zinc/52/34/33/786523433.db2.gz NDBRKRLHWMFRRJ-XHVZSJERSA-N -2 0 339.775 2.220 20 0 EEADRL CCc1ncsc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC001185278195 802434930 /nfs/dbraw/zinc/43/49/30/802434930.db2.gz LDCXWJLXUFYXQB-UHFFFAOYSA-N -2 0 342.398 2.213 20 0 EEADRL Cn1nc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)cc1C(=O)[O-] ZINC000790004500 808328198 /nfs/dbraw/zinc/32/81/98/808328198.db2.gz BBRXQAWPKVGEFT-VOTSOKGWSA-N -2 0 341.776 2.184 20 0 EEADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C(F)F)c1 ZINC000793406335 810303731 /nfs/dbraw/zinc/30/37/31/810303731.db2.gz AUBOPHDVAZPNCL-UHFFFAOYSA-N -2 0 349.290 2.225 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C2CCCC2)sc1C ZINC000863958050 939244877 /nfs/dbraw/zinc/24/48/77/939244877.db2.gz YKRUBZSRQWTEMO-LBPRGKRZSA-N -2 0 345.442 2.061 20 0 EEADRL O=C([O-])c1sc2ccccc2c1S(=O)(=O)[N-]c1ncccn1 ZINC000387459275 972123790 /nfs/dbraw/zinc/12/37/90/972123790.db2.gz ROWQUCIEBAJVSN-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL C[C@@]1(C(=O)[O-])CCN(C(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])C1 ZINC001589196558 956614421 /nfs/dbraw/zinc/61/44/21/956614421.db2.gz WDCKXFGBJOMDRH-MRXNPFEDSA-N -2 0 349.774 2.168 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccnn2)c(Cl)cc1Cl ZINC000227882717 959974273 /nfs/dbraw/zinc/97/42/73/959974273.db2.gz KITCDLDHCLAOAS-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000317511543 970366709 /nfs/dbraw/zinc/36/67/09/970366709.db2.gz QCMUWHBNTKFRDU-UHFFFAOYSA-N -2 0 338.366 2.127 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)Nc2cc(F)cc(F)c2F)ccc1O ZINC000320290174 970644355 /nfs/dbraw/zinc/64/43/55/970644355.db2.gz PUSIMSYUNIRHML-UHFFFAOYSA-N -2 0 347.270 2.309 20 0 EEADRL CC[C@@H](CNC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])C(=O)[O-] ZINC001603567603 973698121 /nfs/dbraw/zinc/69/81/21/973698121.db2.gz FQDOVXJCRKLOMB-VIFPVBQESA-N -2 0 337.763 2.072 20 0 EEADRL CCN(C(=O)c1cc(Br)cc(F)c1[O-])[C@H](C)C(=O)[O-] ZINC001603715899 974141008 /nfs/dbraw/zinc/14/10/08/974141008.db2.gz UILSWYBLKXBBIG-ZCFIWIBFSA-N -2 0 334.141 2.229 20 0 EEADRL CC(C)c1cccnc1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001592004425 976668498 /nfs/dbraw/zinc/66/84/98/976668498.db2.gz PWQZZAJSUXBCGJ-UHFFFAOYSA-N -2 0 327.387 2.161 20 0 EEADRL CCC(CC)(CNC(=O)NCc1ccc(C(=O)[O-])s1)C(=O)[O-] ZINC001595070335 979337785 /nfs/dbraw/zinc/33/77/85/979337785.db2.gz IYZWKCZWBJDMGQ-UHFFFAOYSA-N -2 0 328.390 2.137 20 0 EEADRL CCCC[C@H](C(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-])C(C)C ZINC001595627796 981776477 /nfs/dbraw/zinc/77/64/77/981776477.db2.gz UOJVIFAKJICTFS-VIFPVBQESA-N -2 0 348.446 2.109 20 0 EEADRL CCCCc1nnc([N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)o1 ZINC001595798995 982611479 /nfs/dbraw/zinc/61/14/79/982611479.db2.gz JRUHTHUBZUWTSJ-UHFFFAOYSA-N -2 0 339.373 2.052 20 0 EEADRL CCCc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)o1 ZINC001596095748 983418405 /nfs/dbraw/zinc/41/84/05/983418405.db2.gz RZZXHVDOSQNSDE-UHFFFAOYSA-N -2 0 345.764 2.175 20 0 EEADRL C[C@@H]1CN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)CC[C@@H]1C(=O)[O-] ZINC001594479349 985514846 /nfs/dbraw/zinc/51/48/46/985514846.db2.gz WDXBDKWLDNKWBC-APPZFPTMSA-N -2 0 342.298 2.238 20 0 EEADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)[C@H](C)C(C)C ZINC001599948565 985570172 /nfs/dbraw/zinc/57/01/72/985570172.db2.gz PYFCEAIUYJOMNG-MNOVXSKESA-N -2 0 329.418 2.360 20 0 EEADRL CC(C)(C)C[C@H]([N-]S(=O)(=O)CC1(C(=O)[O-])CC1)C(F)(F)F ZINC001589751174 988050521 /nfs/dbraw/zinc/05/05/21/988050521.db2.gz ALXBGZPMOSLKJI-QMMMGPOBSA-N -2 0 331.356 2.138 20 0 EEADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)ncn2C ZINC001597790415 989310906 /nfs/dbraw/zinc/31/09/06/989310906.db2.gz BBRJWXORLHNZEO-UHFFFAOYSA-N -2 0 349.368 2.228 20 0 EEADRL CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cnc(C(=O)[O-])cn1 ZINC001590515585 990128057 /nfs/dbraw/zinc/12/80/57/990128057.db2.gz SSYPWBZZXMKEJW-UHFFFAOYSA-N -2 0 335.385 2.273 20 0 EEADRL CC(C)(CCC(=O)[O-])NC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001590660864 990359028 /nfs/dbraw/zinc/35/90/28/990359028.db2.gz FYZGYRWAEBAYRT-UHFFFAOYSA-N -2 0 326.324 2.218 20 0 EEADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1cc2ccccc2s1)C(=O)[O-] ZINC001590799377 990628550 /nfs/dbraw/zinc/62/85/50/990628550.db2.gz SHVHECOGHDVOKI-UHFFFAOYSA-N -2 0 341.410 2.072 20 0 EEADRL COc1cccc([C@H](NCc2nc(=O)c3sccc3[n-]2)C(=O)[O-])c1 ZINC001599687034 991003966 /nfs/dbraw/zinc/00/39/66/991003966.db2.gz FUGYQQVLTRXADE-ZDUSSCGKSA-N -2 0 345.380 2.321 20 0 EEADRL C[C@](O)(C(=O)[O-])c1cccc(-c2ccccc2[C@H](O)CC(=O)[O-])c1 ZINC001593376056 995086397 /nfs/dbraw/zinc/08/63/97/995086397.db2.gz SPQKJJNQFJMUKM-CRAIPNDOSA-N -2 0 330.336 2.154 20 0 EEADRL C[C@@H](O[C@@H](C)C(=O)Nc1cccc2cc(C(=O)[O-])sc21)C(=O)[O-] ZINC001593602864 995765620 /nfs/dbraw/zinc/76/56/20/995765620.db2.gz MAINNFGXIIXDDR-JGVFFNPUSA-N -2 0 337.353 2.416 20 0 EEADRL COc1cc(C(=O)[O-])ccc1NC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC001599373427 998447395 /nfs/dbraw/zinc/44/73/95/998447395.db2.gz NJHKTEYXTCZIFL-NSHDSACASA-N -2 0 338.360 2.262 20 0 EEADRL Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc(C(=O)[O-])c1 ZINC000350473117 539874477 /nfs/dbraw/zinc/87/44/77/539874477.db2.gz DVBRKWRKPJNGRM-UHFFFAOYSA-N -2 0 335.337 2.192 20 0 EEADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)nc2)ccc1F ZINC000037981955 213181143 /nfs/dbraw/zinc/18/11/43/213181143.db2.gz AFPPUKXETBKTHK-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL CCc1onc(C)c1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000270421832 256133849 /nfs/dbraw/zinc/13/38/49/256133849.db2.gz LNDBCXRULAQTMP-UHFFFAOYSA-N -2 0 342.348 2.492 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(C(=O)[O-])c1 ZINC000343840904 161173498 /nfs/dbraw/zinc/17/34/98/161173498.db2.gz UUYVPKRTXLXDFV-UHFFFAOYSA-N -3 0 339.325 2.094 20 0 EEADRL Cc1ocnc1CNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000355473742 163202305 /nfs/dbraw/zinc/20/23/05/163202305.db2.gz QGJIYDOTBIBDGC-UHFFFAOYSA-N -2 0 344.776 2.122 20 0 EEADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1O ZINC000360601299 164348680 /nfs/dbraw/zinc/34/86/80/164348680.db2.gz WYXVDPGHDVLKEQ-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL C[C@H](C1CC1)n1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cn1 ZINC000187748948 268548795 /nfs/dbraw/zinc/54/87/95/268548795.db2.gz OXXLBASGHCLIJZ-MRVPVSSYSA-N -2 0 341.414 2.415 20 0 EEADRL C[C@H](C1CC1)n1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cn1 ZINC000187746962 268548829 /nfs/dbraw/zinc/54/88/29/268548829.db2.gz ZNBHGUSWRMURAN-LLVKDONJSA-N -2 0 349.412 2.282 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C3CC3)n(C)n2)cc1C(=O)[O-] ZINC000290526409 275215408 /nfs/dbraw/zinc/21/54/08/275215408.db2.gz NOABBZMHQTZNCU-UHFFFAOYSA-N -2 0 335.385 2.105 20 0 EEADRL CCn1nc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cc1C1CC1 ZINC000290550406 275217390 /nfs/dbraw/zinc/21/73/90/275217390.db2.gz QHSBNEJOBJNOLL-UHFFFAOYSA-N -2 0 349.412 2.208 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000378600522 301155383 /nfs/dbraw/zinc/15/53/83/301155383.db2.gz QEXIEFCQJKRAIQ-UHFFFAOYSA-N -2 0 335.385 2.027 20 0 EEADRL C[C@@H](CCC[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(=O)[O-] ZINC000567393895 319376542 /nfs/dbraw/zinc/37/65/42/319376542.db2.gz VQDZKEWMEVMYRL-LURJTMIESA-N -2 0 343.298 2.022 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC000066290478 462871051 /nfs/dbraw/zinc/87/10/51/462871051.db2.gz WPDMGXAVCCYBPU-UHFFFAOYSA-N -2 0 336.325 2.402 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cnc1Cl ZINC000078900006 463164830 /nfs/dbraw/zinc/16/48/30/463164830.db2.gz MNNGSSMDRIXFHX-UHFFFAOYSA-N -2 0 340.788 2.471 20 0 EEADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000054294710 463225452 /nfs/dbraw/zinc/22/54/52/463225452.db2.gz NEIORSMDPMQSEC-UHFFFAOYSA-N -2 0 335.381 2.432 20 0 EEADRL COc1ncccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000071798583 463427311 /nfs/dbraw/zinc/42/73/11/463427311.db2.gz YFAZRVQZSUDAOB-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1c[nH]c2ncccc12 ZINC000058172734 463547919 /nfs/dbraw/zinc/54/79/19/463547919.db2.gz XYGWVVBMKMMCFF-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c1 ZINC000058380553 463590215 /nfs/dbraw/zinc/59/02/15/463590215.db2.gz CMTJKHYPQJWWQM-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000357070927 465741956 /nfs/dbraw/zinc/74/19/56/465741956.db2.gz JEGZZQLIEBEEQI-UHFFFAOYSA-N -2 0 345.327 2.084 20 0 EEADRL COc1ccsc1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000357861777 466271633 /nfs/dbraw/zinc/27/16/33/466271633.db2.gz AACQIRRMNBPRSH-UHFFFAOYSA-N -2 0 327.383 2.185 20 0 EEADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000350314065 466458035 /nfs/dbraw/zinc/45/80/35/466458035.db2.gz HKMHDSXDCXDUJE-UHFFFAOYSA-N -2 0 339.344 2.262 20 0 EEADRL CCC(=O)c1ccc([O-])c([N-]S(=O)(=O)C[C@@H]2CCCCO2)c1 ZINC000436604777 467547059 /nfs/dbraw/zinc/54/70/59/467547059.db2.gz KCJHVSRECZKIGF-LBPRGKRZSA-N -2 0 327.402 2.296 20 0 EEADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)CCC(F)(F)F ZINC000562492875 468968765 /nfs/dbraw/zinc/96/87/65/468968765.db2.gz ZPRPEGSWABNGOM-UHFFFAOYSA-N -2 0 327.280 2.088 20 0 EEADRL C[C@H](NC(=O)NCc1cccc(C(=O)[O-])c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655879954 471517731 /nfs/dbraw/zinc/51/77/31/471517731.db2.gz SXIOPAJQJRBWRO-LEWSCRJBSA-N -2 0 348.399 2.319 20 0 EEADRL C[C@@H](CNC(=O)c1cc(Cl)cc(Br)c1[O-])C(=O)[O-] ZINC000656231710 471643067 /nfs/dbraw/zinc/64/30/67/471643067.db2.gz NBSFVEMJOCKTBT-YFKPBYRVSA-N -2 0 336.569 2.259 20 0 EEADRL Cc1c(Cl)ccc(C(=O)[O-])c1NS(=O)(=O)[C@@H]1CCCOC1 ZINC000681562580 486274515 /nfs/dbraw/zinc/27/45/15/486274515.db2.gz XLMLGZIDFTUKJZ-SECBINFHSA-N -2 0 333.793 2.267 20 0 EEADRL COCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000766581302 577521791 /nfs/dbraw/zinc/52/17/91/577521791.db2.gz RNYJWBYNNFYWEV-UHFFFAOYSA-N -2 0 337.353 2.038 20 0 EEADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cccc3c2CCCC3)c1C(=O)[O-] ZINC000738827690 578028048 /nfs/dbraw/zinc/02/80/48/578028048.db2.gz NJXMJRDCCPCITJ-UHFFFAOYSA-N -2 0 335.385 2.096 20 0 EEADRL Cc1noc(C)c1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000738944920 578032034 /nfs/dbraw/zinc/03/20/34/578032034.db2.gz OOYPGQRMOOKONT-UHFFFAOYSA-N -2 0 330.749 2.444 20 0 EEADRL O=C([O-])c1sccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000740188010 578084756 /nfs/dbraw/zinc/08/47/56/578084756.db2.gz XWTVPPXEZGWIBY-UHFFFAOYSA-N -3 0 345.329 2.084 20 0 EEADRL CCCCSCCC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000737001667 578232858 /nfs/dbraw/zinc/23/28/58/578232858.db2.gz WVWUHEBTLMRTLG-UHFFFAOYSA-N -2 0 345.442 2.113 20 0 EEADRL CCc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)s1 ZINC000049044404 600053208 /nfs/dbraw/zinc/05/32/08/600053208.db2.gz COHHHWKASMVCSM-UHFFFAOYSA-N -2 0 332.428 2.195 20 0 EEADRL Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c1C ZINC000321980671 600530268 /nfs/dbraw/zinc/53/02/68/600530268.db2.gz MIVIUDKTZPQFAQ-UHFFFAOYSA-N -2 0 337.401 2.002 20 0 EEADRL N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)cn1 ZINC000318298079 600637179 /nfs/dbraw/zinc/63/71/79/600637179.db2.gz LHIHWSNRBMZBCD-UHFFFAOYSA-N -2 0 337.744 2.106 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])nc1 ZINC000832419639 600985943 /nfs/dbraw/zinc/98/59/43/600985943.db2.gz UNKCGGAQJMYFQZ-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL O=C([O-])c1sccc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000833322188 601224836 /nfs/dbraw/zinc/22/48/36/601224836.db2.gz YGUHXADOPVXOIR-UHFFFAOYSA-N -2 0 345.329 2.084 20 0 EEADRL CC[C@@](C)(CC(=O)[O-])NC(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC000828652385 601293581 /nfs/dbraw/zinc/29/35/81/601293581.db2.gz KPSWSZRAVPHNQK-KRWDZBQOSA-N -2 0 349.362 2.399 20 0 EEADRL CC(C)c1nc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)c[nH]1 ZINC000827153591 601320224 /nfs/dbraw/zinc/32/02/24/601320224.db2.gz UPLKGSDEOZNKID-UHFFFAOYSA-N -2 0 345.327 2.310 20 0 EEADRL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)nc1 ZINC000830639548 601361040 /nfs/dbraw/zinc/36/10/40/601361040.db2.gz ISUDNVDNHZFLHJ-YHYXMXQVSA-N -2 0 347.396 2.046 20 0 EEADRL CCCc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)s1 ZINC000829574298 601502245 /nfs/dbraw/zinc/50/22/45/601502245.db2.gz VCKABAFCTMNHQL-UHFFFAOYSA-N -2 0 341.414 2.298 20 0 EEADRL CCc1nnc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)s1 ZINC000830334776 601502493 /nfs/dbraw/zinc/50/24/93/601502493.db2.gz CGQJZPXKNDCUOT-UHFFFAOYSA-N -2 0 347.805 2.253 20 0 EEADRL CCC1(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)CCCC1 ZINC000829033309 601770000 /nfs/dbraw/zinc/77/00/00/601770000.db2.gz KKAVTBVAGQIJBH-UHFFFAOYSA-N -2 0 325.386 2.160 20 0 EEADRL Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])n(C)c1 ZINC000832854226 601784619 /nfs/dbraw/zinc/78/46/19/601784619.db2.gz BRZJLIXZQXNMEF-UHFFFAOYSA-N -2 0 328.777 2.486 20 0 EEADRL CC(C)n1nccc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000827207898 601847487 /nfs/dbraw/zinc/84/74/87/601847487.db2.gz YZZYCQORIZMFJJ-UHFFFAOYSA-N -2 0 327.337 2.102 20 0 EEADRL CSc1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cn1 ZINC000832785261 601847998 /nfs/dbraw/zinc/84/79/98/601847998.db2.gz JTRDGXQSJLNKQV-UHFFFAOYSA-N -2 0 342.373 2.442 20 0 EEADRL COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)c1 ZINC000831457691 602115922 /nfs/dbraw/zinc/11/59/22/602115922.db2.gz RYIOIBPWCROGSI-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1F ZINC000832962996 602240862 /nfs/dbraw/zinc/24/08/62/602240862.db2.gz JOUZATFYBSQCDV-UHFFFAOYSA-N -2 0 343.357 2.013 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc2n[nH]cc21 ZINC000833746605 605152450 /nfs/dbraw/zinc/15/24/50/605152450.db2.gz DGSZWSQIERUQAF-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2sc(C)c(C)c2C(=O)[O-])nc1C ZINC000833683715 605302504 /nfs/dbraw/zinc/30/25/04/605302504.db2.gz SFIMDYOHFDCQSQ-UHFFFAOYSA-N -2 0 343.430 2.389 20 0 EEADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(Cl)c(C)c1 ZINC000863966359 1197939845 /nfs/dbraw/zinc/93/98/45/1197939845.db2.gz YBAYGQCVXXKQQM-UHFFFAOYSA-N -2 0 347.820 2.344 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc2ccccc2n1C ZINC001185870920 1278809050 /nfs/dbraw/zinc/80/90/50/1278809050.db2.gz KBUPZMOBKSRGLS-UHFFFAOYSA-N -2 0 345.380 2.381 20 0 EEADRL Cc1ncncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC001193972875 1282799079 /nfs/dbraw/zinc/79/90/79/1282799079.db2.gz JZPYLJDORDQAQM-UHFFFAOYSA-N -2 0 345.739 2.077 20 0 EEADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)c1 ZINC000387532714 1285793257 /nfs/dbraw/zinc/79/32/57/1285793257.db2.gz YCSGQLKTRVSYKN-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL COc1ccc(N)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC001216661445 1297247326 /nfs/dbraw/zinc/24/73/26/1297247326.db2.gz IJALZCDHUPTOFC-UHFFFAOYSA-N -2 0 336.369 2.085 20 0 EEADRL COC(=O)c1nc(-c2ccccn2)[n-]c(=O)c1O[C@H](C)C1=CC=C[CH]1 ZINC001234893733 1305047892 /nfs/dbraw/zinc/04/78/92/1305047892.db2.gz HGSSXAWVOICXOD-LLVKDONJSA-N -2 0 338.343 2.499 20 0 EEADRL COc1nc(OC)c(-c2ccc(P(=O)([O-])[O-])cc2)cc1SC ZINC001245782154 1310168523 /nfs/dbraw/zinc/16/85/23/1310168523.db2.gz OMGHHZKWLMMICS-UHFFFAOYSA-N -2 0 341.325 2.291 20 0 EEADRL Cc1cnn(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259213799 1319488996 /nfs/dbraw/zinc/48/89/96/1319488996.db2.gz MSWBCCZUTQDOKC-UHFFFAOYSA-N -2 0 347.755 2.020 20 0 EEADRL Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1O ZINC001260228021 1319839593 /nfs/dbraw/zinc/83/95/93/1319839593.db2.gz SSETUIVVTFTQRU-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(N[C@H]2SC(=O)[N-]C2=O)cc1 ZINC001163673699 1321189130 /nfs/dbraw/zinc/18/91/30/1321189130.db2.gz DOGWTKXJMAEPFT-WKEGUHRASA-N -2 0 347.318 2.147 20 0 EEADRL O=C([O-])c1ccc(NC(=O)C(=O)[N-]OC2CCC2)c2ccccc12 ZINC001608484053 1351702452 /nfs/dbraw/zinc/70/24/52/1351702452.db2.gz CYSXVJJAOBPLQS-UHFFFAOYSA-N -2 0 328.324 2.077 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)CCCCC(C)C ZINC001608040409 1351611997 /nfs/dbraw/zinc/61/19/97/1351611997.db2.gz LIWQINISYVGPJN-UHFFFAOYSA-N -2 0 331.390 2.308 20 0 EEADRL O=C([O-])CCCO[N-]C(=O)C1(c2ccccc2Br)CC1 ZINC001608715828 1351747751 /nfs/dbraw/zinc/74/77/51/1351747751.db2.gz IKMWPDNJJOJDHY-UHFFFAOYSA-N -2 0 342.189 2.393 20 0 EEADRL C[C@H](OC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1cc(C(=O)[O-])co1 ZINC001609788334 1352085564 /nfs/dbraw/zinc/08/55/64/1352085564.db2.gz CHHBCRRFTOWXOB-LURJTMIESA-N -2 0 337.250 2.039 20 0 EEADRL CC1(C)CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001609818527 1352092950 /nfs/dbraw/zinc/09/29/50/1352092950.db2.gz VERSNHJFOLIKRJ-MRVPVSSYSA-N -2 0 331.415 2.078 20 0 EEADRL CCc1onc(C)c1[N-]S(=O)(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC001610079382 1352157396 /nfs/dbraw/zinc/15/73/96/1352157396.db2.gz IBUJESVMLYLYQW-LBPRGKRZSA-N -2 0 338.385 2.156 20 0 EEADRL COc1cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c(C(=O)[O-])cc1OC ZINC001610298919 1352201794 /nfs/dbraw/zinc/20/17/94/1352201794.db2.gz MMQNOOZBIWPWEM-NXEZZACHSA-N -2 0 349.339 2.008 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C2CC2)nn1 ZINC001610446335 1352223796 /nfs/dbraw/zinc/22/37/96/1352223796.db2.gz JOTMJRCBPNUWPT-UHFFFAOYSA-N -2 0 333.369 2.161 20 0 EEADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccnn1C(C)C ZINC001610465349 1352227092 /nfs/dbraw/zinc/22/70/92/1352227092.db2.gz MAAPZPGXYBJBKR-UHFFFAOYSA-N -2 0 341.364 2.411 20 0 EEADRL Cc1nc([N-]S(=O)(=O)CCCC2CCOCC2)sc1C(=O)[O-] ZINC001610558287 1352244475 /nfs/dbraw/zinc/24/44/75/1352244475.db2.gz GGQYJRNZTYXTID-UHFFFAOYSA-N -2 0 348.446 2.098 20 0 EEADRL O=C([O-])[C@@H]1CN(C(=O)c2cc(F)c([O-])c(F)c2)c2ccccc2O1 ZINC001610745570 1352267507 /nfs/dbraw/zinc/26/75/07/1352267507.db2.gz JEXOCCVPFCGVMP-ZDUSSCGKSA-N -2 0 335.262 2.163 20 0 EEADRL C[C@H]1CCN(c2cccc(C(F)F)c2-c2nn[nH]n2)C[C@H]1C(=O)[O-] ZINC001590273868 1349242629 /nfs/dbraw/zinc/24/26/29/1349242629.db2.gz BIOVAMNIBGLUIR-WCBMZHEXSA-N -2 0 337.330 2.351 20 0 EEADRL Cc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c(C(=O)[O-])c1 ZINC001600163279 1349983305 /nfs/dbraw/zinc/98/33/05/1349983305.db2.gz GADVNWQLCUBRNR-UHFFFAOYSA-N -3 0 339.325 2.094 20 0 EEADRL Cc1cc(NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(C(=O)[O-])[nH]1 ZINC001600264227 1350006059 /nfs/dbraw/zinc/00/60/59/1350006059.db2.gz JRKKWHFOFFXRKP-LPEHRKFASA-N -2 0 337.376 2.278 20 0 EEADRL Cc1cc(NS(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])ccc1C(=O)[O-] ZINC001600281563 1350009959 /nfs/dbraw/zinc/00/99/59/1350009959.db2.gz HXLNOLIOMWDLBC-CHWSQXEVSA-N -2 0 341.385 2.078 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cnc3n2CCCC3)cc1C(=O)[O-] ZINC001600464038 1350058009 /nfs/dbraw/zinc/05/80/09/1350058009.db2.gz OFEKQSKBVIHVQD-UHFFFAOYSA-N -2 0 335.385 2.027 20 0 EEADRL Cc1csc(NC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1C(=O)[O-] ZINC001600664276 1350112933 /nfs/dbraw/zinc/11/29/33/1350112933.db2.gz WNIGAIYBZXIQNS-APPZFPTMSA-N -2 0 326.374 2.329 20 0 EEADRL Cc1n[nH]c(C(=O)NCc2c3ccccc3sc2C(=O)[O-])c1[O-] ZINC001600665638 1350113129 /nfs/dbraw/zinc/11/31/29/1350113129.db2.gz LZNQGYOLJZXAFS-UHFFFAOYSA-N -2 0 331.353 2.267 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C2CC2)nc(C)n1 ZINC001600717639 1350120261 /nfs/dbraw/zinc/12/02/61/1350120261.db2.gz KAHCXPXWYRGWEM-UHFFFAOYSA-N -2 0 347.396 2.470 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2cnn([C@@H](C)C3CC3)c2)cc1C(=O)[O-] ZINC001600856476 1350153449 /nfs/dbraw/zinc/15/34/49/1350153449.db2.gz AIQBTECMHMJDRF-QMMMGPOBSA-N -2 0 339.373 2.255 20 0 EEADRL Cn1cnc(S(=O)(=O)[N-]c2c(C(=O)[O-])ccc3ccccc32)c1 ZINC001600990827 1350184489 /nfs/dbraw/zinc/18/44/89/1350184489.db2.gz DNQIVWOGIYZYJL-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1cc(Cl)cc(Br)c1[O-] ZINC001601575753 1350310907 /nfs/dbraw/zinc/31/09/07/1350310907.db2.gz TZLJNIGNAJUAIK-KBTIHESUSA-N -2 0 348.580 2.401 20 0 EEADRL O=C([O-])c1nc(C(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)cs1 ZINC001601578735 1350311447 /nfs/dbraw/zinc/31/14/47/1350311447.db2.gz CCJWKEYLYNDVDM-UHFFFAOYSA-N -2 0 330.325 2.189 20 0 EEADRL O=C([O-])CCCc1nnc(NC(=O)c2ccc3cccnc3n2)s1 ZINC001602003316 1350415637 /nfs/dbraw/zinc/41/56/37/1350415637.db2.gz CCTFWONXOTUMGH-UHFFFAOYSA-N -2 0 343.368 2.141 20 0 EEADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc3c(n2)CCCC3)cc1 ZINC001602131944 1350446531 /nfs/dbraw/zinc/44/65/31/1350446531.db2.gz LBDYUVHWTQBBPZ-UHFFFAOYSA-N -2 0 346.408 2.388 20 0 EEADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1nc2ccccc2[nH]1 ZINC001602232285 1350471642 /nfs/dbraw/zinc/47/16/42/1350471642.db2.gz SCBOQPCSRSVSKV-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2)s1 ZINC001602324326 1350494363 /nfs/dbraw/zinc/49/43/63/1350494363.db2.gz IBOGRXSDBRNOEQ-UHFFFAOYSA-N -2 0 345.785 2.218 20 0 EEADRL O=C([O-])c1nsc(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)n1 ZINC001602586555 1350551676 /nfs/dbraw/zinc/55/16/76/1350551676.db2.gz FORBBPIFBARISW-UHFFFAOYSA-N -2 0 336.373 2.068 20 0 EEADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)C[C@H]1CCCC(C)(C)C1 ZINC001603187724 1350659294 /nfs/dbraw/zinc/65/92/94/1350659294.db2.gz JLJBBQPOZPMWEB-QJPTWQEYSA-N -2 0 333.450 2.148 20 0 EEADRL CC(C)c1cccc(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC001604009867 1350828587 /nfs/dbraw/zinc/82/85/87/1350828587.db2.gz GRMZVJAIIPEPNT-QWHCGFSZSA-N -2 0 339.413 2.116 20 0 EEADRL C[C@H](Cc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])cc1)C(=O)[O-] ZINC001604227427 1350898222 /nfs/dbraw/zinc/89/82/22/1350898222.db2.gz AAMBYRHQDIBCRL-BCEUIYSSSA-N -2 0 343.379 2.411 20 0 EEADRL CC[C@](C)(C(=O)[O-])N(CC1CC1)S(=O)(=O)c1cc([O-])cc(F)c1 ZINC001604888847 1351025492 /nfs/dbraw/zinc/02/54/92/1351025492.db2.gz HBBJUKXRYUNQPB-OAHLLOKOSA-N -2 0 345.392 2.185 20 0 EEADRL CCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001605207178 1351103213 /nfs/dbraw/zinc/10/32/13/1351103213.db2.gz VKMAGTYQTQZEQT-SNVBAGLBSA-N -2 0 345.392 2.084 20 0 EEADRL COc1ccccc1S(=O)(=O)[N-]c1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001607348279 1351480112 /nfs/dbraw/zinc/48/01/12/1351480112.db2.gz LEYLNQJPTVCCHV-UHFFFAOYSA-N -2 0 347.352 2.071 20 0 EEADRL Cc1ccc(NS(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1C(=O)[O-] ZINC001607809627 1351563467 /nfs/dbraw/zinc/56/34/67/1351563467.db2.gz XSXJFFGFZTZXGN-WCQYABFASA-N -2 0 341.385 2.078 20 0 EEADRL Cn1ncc2cccc([N-]S(=O)(=O)c3ccccc3C(=O)[O-])c21 ZINC001198778711 1368645292 /nfs/dbraw/zinc/64/52/92/1368645292.db2.gz KWIWAMUOYSUJFI-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)c1F ZINC000906986841 784302428 /nfs/dbraw/zinc/30/24/28/784302428.db2.gz LRFKLZHARUFZMH-SNVBAGLBSA-N -2 0 341.282 2.143 20 0 EEADRL COC(=O)c1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1O ZINC001176241751 798392508 /nfs/dbraw/zinc/39/25/08/798392508.db2.gz VPRXMOBRAHBGOS-UHFFFAOYSA-N -2 0 331.280 2.319 20 0 EEADRL CC(C)Cc1ccc([C@H](C)C(=O)NCCOP(=O)([O-])[O-])cc1 ZINC001180906601 800599693 /nfs/dbraw/zinc/59/96/93/800599693.db2.gz UMPIAROJPNIYNT-LBPRGKRZSA-N -2 0 329.333 2.214 20 0 EEADRL C[C@@H]1CCN(C(=O)c2cccc(Br)c2[O-])C[C@@H]1C(=O)[O-] ZINC001589350288 954075319 /nfs/dbraw/zinc/07/53/19/954075319.db2.gz IZSOBNRDURTZKP-SCZZXKLOSA-N -2 0 342.189 2.338 20 0 EEADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)C(F)(F)F ZINC000389217368 972212668 /nfs/dbraw/zinc/21/26/68/972212668.db2.gz LDYPDYNOHSSQKN-LURJTMIESA-N -2 0 329.271 2.061 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)nc2)c(F)c1 ZINC000097987019 958356036 /nfs/dbraw/zinc/35/60/36/958356036.db2.gz CCLRCIQMNOVCQA-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL CC[C@H](CNC(=O)c1cc(Br)c(F)cc1[O-])C(=O)[O-] ZINC001573804299 960841851 /nfs/dbraw/zinc/84/18/51/960841851.db2.gz PJKMQASGKPEHBC-ZCFIWIBFSA-N -2 0 334.141 2.134 20 0 EEADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]OCc1ccc(F)cc1Br ZINC001588807882 961486184 /nfs/dbraw/zinc/48/61/84/961486184.db2.gz DRFCQERMLGYYIC-NSHDSACASA-N -2 0 348.168 2.493 20 0 EEADRL Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000315978701 963960079 /nfs/dbraw/zinc/96/00/79/963960079.db2.gz GQEHCYXQEOPMOF-UHFFFAOYSA-N -2 0 342.354 2.464 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2cccc3ncccc23)cc1C(=O)[O-] ZINC000320114367 970615946 /nfs/dbraw/zinc/61/59/46/970615946.db2.gz CNWIJOFIQYSVMN-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c1F ZINC000398166603 973076978 /nfs/dbraw/zinc/07/69/78/973076978.db2.gz GZSGOCDQRORCQC-MRVPVSSYSA-N -2 0 341.282 2.129 20 0 EEADRL O=C([O-])c1ccc(CN2CCC[C@H]2C(=O)[O-])cc1Br ZINC001606483755 973970484 /nfs/dbraw/zinc/97/04/84/973970484.db2.gz ROZVDOJYZDGKSI-NSHDSACASA-N -2 0 328.162 2.196 20 0 EEADRL CC[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001595035669 979187390 /nfs/dbraw/zinc/18/73/90/979187390.db2.gz JDEDWHNOPGHMPI-NSHDSACASA-N -2 0 327.402 2.262 20 0 EEADRL CCC[C@@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001595621527 981700927 /nfs/dbraw/zinc/70/09/27/981700927.db2.gz KACZQWOEPKZDCT-NXEZZACHSA-N -2 0 345.442 2.468 20 0 EEADRL CCC[C@H](NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C(=O)[O-] ZINC001596022666 983284200 /nfs/dbraw/zinc/28/42/00/983284200.db2.gz CVGFCEQGXVNKDO-NSHDSACASA-N -2 0 337.763 2.214 20 0 EEADRL C[C@H](C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)C(C)(C)C ZINC001589424343 986691596 /nfs/dbraw/zinc/69/15/96/986691596.db2.gz TWPXPXQJNQBWFC-SNVBAGLBSA-N -2 0 327.402 2.013 20 0 EEADRL CCOc1cccc(S(=O)(=O)[N-]c2nc(C)c(C(=O)[O-])s2)c1 ZINC001597163997 986977982 /nfs/dbraw/zinc/97/79/82/986977982.db2.gz UXLGYCWYOHEUPW-UHFFFAOYSA-N -2 0 342.398 2.349 20 0 EEADRL CCOc1ccccc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001597179906 987041077 /nfs/dbraw/zinc/04/10/77/987041077.db2.gz MUYYZYCFZRFINS-UHFFFAOYSA-N -2 0 325.342 2.486 20 0 EEADRL CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001594721176 987203321 /nfs/dbraw/zinc/20/33/21/987203321.db2.gz TWSCHYQWUYWMSY-UHFFFAOYSA-N -2 0 349.364 2.484 20 0 EEADRL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)C1 ZINC001589605810 987451335 /nfs/dbraw/zinc/45/13/35/987451335.db2.gz PUTIRDGEYUFFDZ-LXSSAFMLSA-N -2 0 335.356 2.340 20 0 EEADRL CCc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)nc1 ZINC001597555710 988282158 /nfs/dbraw/zinc/28/21/58/988282158.db2.gz CYRMAFWBUVLMHE-UHFFFAOYSA-N -2 0 338.360 2.211 20 0 EEADRL CCc1ccc(S(=O)(=O)[N-]c2ccn(C(C)(C)C(=O)[O-])n2)cc1 ZINC001597562127 988304702 /nfs/dbraw/zinc/30/47/02/988304702.db2.gz OPWRBUUHSSGLQI-UHFFFAOYSA-N -2 0 337.401 2.066 20 0 EEADRL CN(C(=O)c1cccc(Cl)c1[O-])[C@H](COC1CCC1)C(=O)[O-] ZINC001598091466 990434639 /nfs/dbraw/zinc/43/46/39/990434639.db2.gz LJLXJZCOOJTZJQ-GFCCVEGCSA-N -2 0 327.764 2.140 20 0 EEADRL CN(C(=O)c1nn(-c2cccc(F)c2)cc1[O-])C(C)(C)CC(=O)[O-] ZINC001598104719 990484821 /nfs/dbraw/zinc/48/48/21/990484821.db2.gz VFEICUZYSHJSMX-UHFFFAOYSA-N -2 0 335.335 2.042 20 0 EEADRL CC(C)[C@@H](C(=O)[O-])C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001590957367 991039321 /nfs/dbraw/zinc/03/93/21/991039321.db2.gz STQFXWYWWRBMHN-CYBMUJFWSA-N -2 0 325.386 2.300 20 0 EEADRL COc1ccccc1C[C@H](CNC(=O)c1cccc(F)c1[O-])C(=O)[O-] ZINC001599710949 991369581 /nfs/dbraw/zinc/36/95/81/991369581.db2.gz XQXCRHPGQCVKOV-GFCCVEGCSA-N -2 0 347.342 2.213 20 0 EEADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cnoc1C1CC1 ZINC001599387901 996978073 /nfs/dbraw/zinc/97/80/73/996978073.db2.gz RWFOMHKMKICNQG-UHFFFAOYSA-N -2 0 344.370 2.121 20 0 EEADRL CC1(C)Cc2cccc([N-]S(=O)(=O)c3cccnc3C(=O)[O-])c2O1 ZINC001593969347 997133668 /nfs/dbraw/zinc/13/36/68/997133668.db2.gz LAVHRGVADBEXLL-UHFFFAOYSA-N -2 0 348.380 2.294 20 0 EEADRL C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cc(Br)c(F)cc1[O-] ZINC001594159134 998591260 /nfs/dbraw/zinc/59/12/60/998591260.db2.gz PPZNSEYKYNDDQM-BQBZGAKWSA-N -2 0 346.152 2.229 20 0 EEADRL CC(=O)c1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC000036968455 213128275 /nfs/dbraw/zinc/12/82/75/213128275.db2.gz CRRFYZGLAPRGDX-UHFFFAOYSA-N -2 0 325.367 2.450 20 0 EEADRL CCc1onc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000270434852 256134794 /nfs/dbraw/zinc/13/47/94/256134794.db2.gz PJCKIJJXJNKTRU-UHFFFAOYSA-N -2 0 340.357 2.053 20 0 EEADRL CSC(C)(C)CNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000273694457 256319334 /nfs/dbraw/zinc/31/93/34/256319334.db2.gz MPUSJMVXPURFKT-UHFFFAOYSA-N -2 0 339.385 2.083 20 0 EEADRL COc1ccc(O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000345681204 161322442 /nfs/dbraw/zinc/32/24/42/161322442.db2.gz JDDFVSWYSQJMAY-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000346415833 161370933 /nfs/dbraw/zinc/37/09/33/161370933.db2.gz XPTIYNLDDWMWJK-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL COc1cccc(OC)c1S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000359091961 164056399 /nfs/dbraw/zinc/05/63/99/164056399.db2.gz PYVLEWUDDCGMLF-UHFFFAOYSA-N -2 0 337.353 2.203 20 0 EEADRL COCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000360517525 164328067 /nfs/dbraw/zinc/32/80/67/164328067.db2.gz YLJLNPRBYSIYGA-UHFFFAOYSA-N -2 0 337.353 2.038 20 0 EEADRL Cc1ccc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)c(C(=O)[O-])c1 ZINC000360874493 164394548 /nfs/dbraw/zinc/39/45/48/164394548.db2.gz VNBVOHKBWSWSEN-UHFFFAOYSA-N -2 0 349.364 2.121 20 0 EEADRL Cc1nn(C)cc1S(=O)(=O)[N-]c1c(C(=O)[O-])cccc1C(C)C ZINC000288665433 275079860 /nfs/dbraw/zinc/07/98/60/275079860.db2.gz YYRCRVSHBDMHCR-UHFFFAOYSA-N -2 0 337.401 2.351 20 0 EEADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2cccc3cccnc32)c1 ZINC000436892192 315009985 /nfs/dbraw/zinc/00/99/85/315009985.db2.gz IMTIPQXYPBIFSB-UHFFFAOYSA-N -2 0 344.348 2.439 20 0 EEADRL C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000567638124 319399954 /nfs/dbraw/zinc/39/99/54/319399954.db2.gz NTVDUFVTACYLFW-GHMZBOCLSA-N -2 0 347.346 2.042 20 0 EEADRL CC(C)c1nc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cn1C ZINC000582590316 324482777 /nfs/dbraw/zinc/48/27/77/324482777.db2.gz RLUDPZLHCFAXEL-UHFFFAOYSA-N -2 0 341.364 2.182 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2O)ccc1C(=O)[O-] ZINC000350945616 465044012 /nfs/dbraw/zinc/04/40/12/465044012.db2.gz XOFGYFKJGGMUBC-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])nc1C ZINC000336852639 465052612 /nfs/dbraw/zinc/05/26/12/465052612.db2.gz VLYANHLLCALLDG-UHFFFAOYSA-N -2 0 343.792 2.364 20 0 EEADRL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000075606927 462738281 /nfs/dbraw/zinc/73/82/81/462738281.db2.gz UFZSAWSHGVIQKR-UHFFFAOYSA-N -2 0 346.368 2.008 20 0 EEADRL Cn1cc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)cc1C(=O)[O-] ZINC000132757478 462876453 /nfs/dbraw/zinc/87/64/53/462876453.db2.gz JFTUAQRBWWECOC-UHFFFAOYSA-N -2 0 347.352 2.179 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c(C(=O)[O-])c1 ZINC000067659996 463033629 /nfs/dbraw/zinc/03/36/29/463033629.db2.gz ICOVMUODAHEJNX-UHFFFAOYSA-N -3 0 341.366 2.254 20 0 EEADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(C(C)C)n1 ZINC000291964496 464162754 /nfs/dbraw/zinc/16/27/54/464162754.db2.gz SBLXRGPSGXRPQZ-UHFFFAOYSA-N -2 0 341.364 2.411 20 0 EEADRL CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000408513977 466670572 /nfs/dbraw/zinc/67/05/72/466670572.db2.gz CKRMZRIKDQNUKS-UHFFFAOYSA-N -2 0 341.316 2.429 20 0 EEADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)[C@@H]1CCCC[C@@H]1OC ZINC000647923659 471017440 /nfs/dbraw/zinc/01/74/40/471017440.db2.gz YAJWOJOVLIGYDW-UONOGXRCSA-N -2 0 343.401 2.093 20 0 EEADRL CC(C)[C@H](CNC(=O)N=c1[n-]nc(-c2ccccc2)s1)C(=O)[O-] ZINC000653534802 471655046 /nfs/dbraw/zinc/65/50/46/471655046.db2.gz YFDXHNIIQLKFMC-NSHDSACASA-N -2 0 334.401 2.105 20 0 EEADRL CC[C@@H](c1n[n-]c(=NC(=O)NC[C@H](C)C(=O)[O-])s1)c1ccccc1 ZINC000653538643 471657010 /nfs/dbraw/zinc/65/70/10/471657010.db2.gz BUWCYBCBLJDTGO-CMPLNLGQSA-N -2 0 348.428 2.344 20 0 EEADRL CC(C)(C)CC[C@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)C(=O)[O-] ZINC000659765800 471735202 /nfs/dbraw/zinc/73/52/02/471735202.db2.gz SKPHLFUEFXULKJ-ZDUSSCGKSA-N -2 0 337.372 2.159 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2cc(C)cc(F)c2C(=O)[O-])nc1C ZINC000663267657 472432408 /nfs/dbraw/zinc/43/24/08/472432408.db2.gz UZNLEKSKGWBTBK-UHFFFAOYSA-N -2 0 341.364 2.158 20 0 EEADRL Cc1ccc(S(=O)(=O)Nc2ccsc2C(=O)[O-])cc1C(=O)[O-] ZINC000738655461 577059367 /nfs/dbraw/zinc/05/93/67/577059367.db2.gz XIAAIMMXYKRBMF-UHFFFAOYSA-N -2 0 341.366 2.254 20 0 EEADRL CC(C)n1cc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)cn1 ZINC000736533108 578209807 /nfs/dbraw/zinc/20/98/07/578209807.db2.gz QLIFCZUEOQLSFX-UHFFFAOYSA-N -2 0 342.352 2.494 20 0 EEADRL C[C@@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CC(C)(C)C1 ZINC000736755795 578221819 /nfs/dbraw/zinc/22/18/19/578221819.db2.gz PXDCAOWKFXDPBA-NEPJUHHUSA-N -2 0 333.450 2.150 20 0 EEADRL CCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000737112388 578238580 /nfs/dbraw/zinc/23/85/80/578238580.db2.gz VUEYHENJMWEQEU-UHFFFAOYSA-N -2 0 349.364 2.298 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1CC(=O)[O-] ZINC000818879357 597315119 /nfs/dbraw/zinc/31/51/19/597315119.db2.gz WPKMDPJOLOURPY-UHFFFAOYSA-N -2 0 349.364 2.121 20 0 EEADRL Cc1ccc(-n2[n-]c(C(=O)NCCCCCCC(=O)[O-])cc2=O)cc1 ZINC000832909444 600883092 /nfs/dbraw/zinc/88/30/92/600883092.db2.gz DNWLHEMCQUVIGP-UHFFFAOYSA-N -2 0 345.399 2.239 20 0 EEADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2n[nH]c3ccc(F)cc32)c1 ZINC000833334135 601202394 /nfs/dbraw/zinc/20/23/94/601202394.db2.gz JZOXTLCNBHUNDY-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1c(O)cccc1F ZINC000831939662 601204538 /nfs/dbraw/zinc/20/45/38/601204538.db2.gz RMRASUROGWWGJI-UHFFFAOYSA-N -2 0 347.345 2.100 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1OC ZINC000832413283 601231274 /nfs/dbraw/zinc/23/12/74/601231274.db2.gz OAUWAOSXMAXEEK-UHFFFAOYSA-N -2 0 341.341 2.104 20 0 EEADRL CCCn1nccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000829591766 601328792 /nfs/dbraw/zinc/32/87/92/601328792.db2.gz XLQCHNSYCYWACY-VMPITWQZSA-N -2 0 335.385 2.192 20 0 EEADRL Cn1cnc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)ccc21 ZINC000833058907 601340298 /nfs/dbraw/zinc/34/02/98/601340298.db2.gz PFJBVBFETJRUBV-UHFFFAOYSA-N -2 0 337.382 2.134 20 0 EEADRL COc1ccc(C)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000832266258 601362652 /nfs/dbraw/zinc/36/26/52/601362652.db2.gz XDOPMWKWLWQHNS-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc2ncsc2c1 ZINC000833345596 601836158 /nfs/dbraw/zinc/83/61/58/601836158.db2.gz DVXPDMNNTVHWOQ-UHFFFAOYSA-N -2 0 341.395 2.252 20 0 EEADRL CCOc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c(C)c1 ZINC000830084796 601837181 /nfs/dbraw/zinc/83/71/81/601837181.db2.gz MOEPWRNFIJHAOZ-UHFFFAOYSA-N -2 0 342.398 2.349 20 0 EEADRL CSc1nc(=O)[nH]c(C)c1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000323194830 601876320 /nfs/dbraw/zinc/87/63/20/601876320.db2.gz DMAKJJWWKXXXQX-UHFFFAOYSA-N -2 0 337.332 2.302 20 0 EEADRL O=C([O-])c1cccc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])c1 ZINC000833327446 604506819 /nfs/dbraw/zinc/50/68/19/604506819.db2.gz KZZQVHQNIKHXEH-OAHLLOKOSA-N -2 0 325.320 2.209 20 0 EEADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000833741175 605125559 /nfs/dbraw/zinc/12/55/59/605125559.db2.gz AQHHKEJYTMTOPZ-UHFFFAOYSA-N -3 0 341.366 2.254 20 0 EEADRL CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)c1 ZINC000833513849 605187307 /nfs/dbraw/zinc/18/73/07/605187307.db2.gz WVCVAPIEOFWOBK-UHFFFAOYSA-N -2 0 337.401 2.282 20 0 EEADRL CCO[C@H]1C[C@@](NC(=O)c2ccc([O-])c(Cl)c2)(C(=O)[O-])C1(C)C ZINC000909599100 686951656 /nfs/dbraw/zinc/95/16/56/686951656.db2.gz BYEIIWVXQGBBIQ-BLLLJJGKSA-N -2 0 341.791 2.434 20 0 EEADRL CCC(=O)c1ccc([O-])c(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1 ZINC000812708317 1200889138 /nfs/dbraw/zinc/88/91/38/1200889138.db2.gz LMIYQHNTDMEFNY-UHFFFAOYSA-N -2 0 346.305 2.381 20 0 EEADRL Cc1nc(Cl)cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n1 ZINC001186143168 1278968851 /nfs/dbraw/zinc/96/88/51/1278968851.db2.gz KETZHCOWDFPKSE-UHFFFAOYSA-N -2 0 345.739 2.077 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cccc2nnsc21 ZINC001198782120 1285328079 /nfs/dbraw/zinc/32/80/79/1285328079.db2.gz CQVAHFFKWWPXPK-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL O=S(=O)([O-])c1ccc([O-])c(-c2nc(-c3ccc(F)cc3)no2)c1 ZINC001215453991 1296909412 /nfs/dbraw/zinc/90/94/12/1296909412.db2.gz CMEPVTDUMTWFDB-UHFFFAOYSA-N -2 0 336.300 2.495 20 0 EEADRL CC(C)(C)OC(=O)N1CC=C[C@H](OCCCC[P@@](=O)([O-])O)C1 ZINC001225018651 1300831825 /nfs/dbraw/zinc/83/18/25/1300831825.db2.gz DOVXYXBXXBFGNR-LBPRGKRZSA-N -2 0 335.337 2.136 20 0 EEADRL COC(=O)c1[n-]c(=O)nc(O[C@@H](C)C2=CC=C[CH]2)c1Br ZINC001227329840 1301784209 /nfs/dbraw/zinc/78/42/09/1301784209.db2.gz NBFAKQGGQDDETP-ZETCQYMHSA-N -2 0 340.153 2.199 20 0 EEADRL Cc1nc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc(N2CCCC2)n1 ZINC001242159638 1309622740 /nfs/dbraw/zinc/62/27/40/1309622740.db2.gz OLWWTVNAHFSQKB-UHFFFAOYSA-N -2 0 327.340 2.449 20 0 EEADRL Cc1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc2c1OCC(=O)N2 ZINC001242164330 1309624946 /nfs/dbraw/zinc/62/49/46/1309624946.db2.gz JNDNIKYPMXSHEE-UHFFFAOYSA-N -2 0 327.292 2.389 20 0 EEADRL Cc1cc(-c2cccc3c2NC(=O)[N-]S3(=O)=O)cc(C)c1C(=O)[O-] ZINC001244948696 1310011011 /nfs/dbraw/zinc/01/10/11/1310011011.db2.gz MLEXWDVAUBAUHX-UHFFFAOYSA-N -2 0 346.364 2.492 20 0 EEADRL COCCS(=O)(=O)[N-]c1c(Cl)ccc(Br)c1[O-] ZINC001259973077 1319760841 /nfs/dbraw/zinc/76/08/41/1319760841.db2.gz QDXLIJKHEAQLHI-UHFFFAOYSA-N -2 0 344.614 2.196 20 0 EEADRL CC(C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)on1 ZINC001260209337 1319832939 /nfs/dbraw/zinc/83/29/39/1319832939.db2.gz YRUPJUQAJAEPSZ-UHFFFAOYSA-N -2 0 328.321 2.436 20 0 EEADRL CC(=O)Nc1ncc(S(=O)(=O)[N-]c2ccc([S-])cc2)s1 ZINC001260706465 1319950512 /nfs/dbraw/zinc/95/05/12/1319950512.db2.gz ZUHKWEFYIBLRGY-UHFFFAOYSA-N -2 0 329.428 2.191 20 0 EEADRL O=C([O-])c1csc(NC(=O)Nc2cccc(Cc3nn[nH]n3)c2)c1 ZINC001608517500 1351708321 /nfs/dbraw/zinc/70/83/21/1351708321.db2.gz YIBNIKQLGYDTAL-UHFFFAOYSA-N -2 0 344.356 2.194 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)C[C@H]2CCC[C@H](C)C2)oc1C(=O)[O-] ZINC001600298016 1350013851 /nfs/dbraw/zinc/01/38/51/1350013851.db2.gz XXWUKPZNQDEJNN-ONGXEEELSA-N -2 0 343.401 2.308 20 0 EEADRL O=C([O-])C1CC2(C1)CN(c1cccc(C(F)(F)F)n1)C[C@H]2C(=O)[O-] ZINC001608610767 1351725815 /nfs/dbraw/zinc/72/58/15/1351725815.db2.gz NDRLSUJSDGEHRZ-PUUHTONNSA-N -2 0 344.289 2.102 20 0 EEADRL O=C([O-])CCCCCNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001608711666 1351746829 /nfs/dbraw/zinc/74/68/29/1351746829.db2.gz JPCVJBMHFHQTCX-UHFFFAOYSA-N -2 0 330.287 2.430 20 0 EEADRL O=C([O-])c1c(Cl)cccc1S(=O)(=O)[N-]C(=O)C1CCCCC1 ZINC001608827337 1351773227 /nfs/dbraw/zinc/77/32/27/1351773227.db2.gz IITBUALHMKMBMJ-UHFFFAOYSA-N -2 0 345.804 2.423 20 0 EEADRL O=C([O-])c1ccc(NS(=O)(=O)c2ccc(F)cc2C(=O)[O-])cc1 ZINC001608905337 1351791069 /nfs/dbraw/zinc/79/10/69/1351791069.db2.gz REGWMTHTBVXOKL-UHFFFAOYSA-N -2 0 339.300 2.023 20 0 EEADRL O=C([O-])c1nc(CNC(=O)c2c([O-])cc(F)cc2F)ccc1Cl ZINC001608996057 1351811113 /nfs/dbraw/zinc/81/11/13/1351811113.db2.gz WVLDWGNXPCBXCA-UHFFFAOYSA-N -2 0 342.685 2.347 20 0 EEADRL CC(C)(CCC(=O)[O-])NC(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001609673777 1352055646 /nfs/dbraw/zinc/05/56/46/1352055646.db2.gz DGOUTMBDEJVTJK-UHFFFAOYSA-N -2 0 338.360 2.305 20 0 EEADRL CC(C)(CS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12)C(=O)[O-] ZINC001609677148 1352056759 /nfs/dbraw/zinc/05/67/59/1352056759.db2.gz OMPGJHLLXBOTKZ-RWMBFGLXSA-N -2 0 345.461 2.150 20 0 EEADRL C[C@H](NC(=O)CC1(CC(=O)[O-])CCCC1)c1ncc(C(=O)[O-])s1 ZINC001609761109 1352078251 /nfs/dbraw/zinc/07/82/51/1352078251.db2.gz DNABNRYTNYTMMX-VIFPVBQESA-N -2 0 340.401 2.444 20 0 EEADRL CC[C@H](CS(=O)(=O)[N-]c1nc(C(=O)[O-])c(C(C)C)s1)OC ZINC001609925844 1352121557 /nfs/dbraw/zinc/12/15/57/1352121557.db2.gz FPPHKPRFADIJLZ-MRVPVSSYSA-N -2 0 336.435 2.131 20 0 EEADRL CCC[C@H]1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001609958568 1352130715 /nfs/dbraw/zinc/13/07/15/1352130715.db2.gz BTFOSAZEIVWBON-WDEREUQCSA-N -2 0 343.401 2.308 20 0 EEADRL CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1c(C)ccc(C(=O)[O-])c1O ZINC001610228288 1352190592 /nfs/dbraw/zinc/19/05/92/1352190592.db2.gz FLUOJCVBBIHGNY-LLVKDONJSA-N -2 0 345.417 2.202 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2ncn(C)c2Cl)ccc(F)c1C(=O)[O-] ZINC001610426756 1352221177 /nfs/dbraw/zinc/22/11/77/1352221177.db2.gz CQTSCOYVWDBCCB-UHFFFAOYSA-N -2 0 347.755 2.020 20 0 EEADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(Cl)cn1 ZINC001610418512 1352219511 /nfs/dbraw/zinc/21/95/11/1352219511.db2.gz QOHQOJXFQVVBPW-UHFFFAOYSA-N -2 0 345.739 2.077 20 0 EEADRL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001610537695 1352241008 /nfs/dbraw/zinc/24/10/08/1352241008.db2.gz PZWJTMDFYGYESI-UHFFFAOYSA-N -2 0 337.401 2.033 20 0 EEADRL C[C@H](c1ccccc1)[C@H]([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-] ZINC000849218784 1339149926 /nfs/dbraw/zinc/14/99/26/1339149926.db2.gz IQTHBEKXHWHYOB-YWVKMMECSA-N -2 0 339.335 2.114 20 0 EEADRL O=C([O-])CCCC(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC001610766968 1352271189 /nfs/dbraw/zinc/27/11/89/1352271189.db2.gz GKUJZVJLBKPVCN-INIZCTEOSA-N -2 0 343.379 2.454 20 0 EEADRL CC(C)(C)c1ccc(-c2nn[nH]n2)c(N2CCC[C@H](CC(=O)[O-])C2)n1 ZINC001589221585 1348971604 /nfs/dbraw/zinc/97/16/04/1348971604.db2.gz OOSYAAKUJNUMRG-LLVKDONJSA-N -2 0 344.419 2.250 20 0 EEADRL Cc1cc(C(=O)[O-])oc1C(=O)Nc1nccc(Br)c1[O-] ZINC001600132315 1349976693 /nfs/dbraw/zinc/97/66/93/1349976693.db2.gz PJKBNNBGQDKKDU-UHFFFAOYSA-N -2 0 341.117 2.402 20 0 EEADRL O=C([O-])C1CCC(NC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)CC1 ZINC001601791998 1350365357 /nfs/dbraw/zinc/36/53/57/1350365357.db2.gz UDZNFZBRLAUXRX-ABIUDSBCSA-N -2 0 346.383 2.023 20 0 EEADRL O=C([O-])C[C@@H](NC(=O)c1ccc2oc(=S)[n-]c2c1)c1ccncc1 ZINC001601905283 1350394442 /nfs/dbraw/zinc/39/44/42/1350394442.db2.gz XMRCXQFVXHJXTM-LLVKDONJSA-N -2 0 343.364 2.457 20 0 EEADRL O=C([O-])COc1cccc(CNC(=O)C2(C(=O)[O-])CCCCCC2)c1 ZINC001602092192 1350435001 /nfs/dbraw/zinc/43/50/01/1350435001.db2.gz YJTCAHRREKVOFG-UHFFFAOYSA-N -2 0 349.383 2.191 20 0 EEADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2c[nH]nc2C2CC2)c1F ZINC001602274658 1350483525 /nfs/dbraw/zinc/48/35/25/1350483525.db2.gz VTCODNGABXPQKC-UHFFFAOYSA-N -2 0 343.311 2.064 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)Oc2cccc(Cl)c2Cl)[n-]n1 ZINC001602298111 1350487651 /nfs/dbraw/zinc/48/76/51/1350487651.db2.gz KRFBHTOMWGRFRA-UHFFFAOYSA-N -2 0 337.140 2.182 20 0 EEADRL O=C([O-])c1cccc(NS(=O)(=O)CC2(C(=O)[O-])CCCCC2)c1 ZINC001602447188 1350521464 /nfs/dbraw/zinc/52/14/64/1350521464.db2.gz UJAKEQIHLAPLOL-UHFFFAOYSA-N -2 0 341.385 2.162 20 0 EEADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC001602486896 1350530678 /nfs/dbraw/zinc/53/06/78/1350530678.db2.gz WPYLBGFFNVBLRE-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL CC(=O)c1ccc([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)cc1 ZINC001603112485 1350642970 /nfs/dbraw/zinc/64/29/70/1350642970.db2.gz RDPLQKGOCAWWMO-UHFFFAOYSA-N -2 0 334.353 2.092 20 0 EEADRL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)Cc1cccc(C(=O)[O-])c1 ZINC001604469206 1350944438 /nfs/dbraw/zinc/94/44/38/1350944438.db2.gz ZHERXUNHQFTBTB-GFCCVEGCSA-N -2 0 347.392 2.135 20 0 EEADRL CC1=CC[C@@](C)(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])CC1 ZINC001604615595 1350971002 /nfs/dbraw/zinc/97/10/02/1350971002.db2.gz PDMBHRUBBNRJIN-CQSZACIVSA-N -2 0 343.426 2.388 20 0 EEADRL COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cnccc1C(=O)[O-] ZINC001607012249 1351396920 /nfs/dbraw/zinc/39/69/20/1351396920.db2.gz PKFNMRDSTOZGTR-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL Cc1cc(C=O)c([O-])c(C(=O)Nc2ccc(OCC(=O)[O-])cc2)c1 ZINC001607633040 1351529481 /nfs/dbraw/zinc/52/94/81/1351529481.db2.gz AFPKAOJYOFTAGX-UHFFFAOYSA-N -2 0 329.308 2.229 20 0 EEADRL Cc1ccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)cc1C(=O)[O-] ZINC001607735056 1351548581 /nfs/dbraw/zinc/54/85/81/1351548581.db2.gz SEGFPYFGHPWDHR-UHFFFAOYSA-N -2 0 338.323 2.436 20 0 EEADRL Cc1ccc(Cc2nnc([N-]C(=O)c3cc(C(=O)[O-])no3)s2)cc1 ZINC001607786209 1351558469 /nfs/dbraw/zinc/55/84/69/1351558469.db2.gz WGRLGAPXOSFITB-UHFFFAOYSA-N -2 0 344.352 2.376 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1n[nH]c(C2CC2)c1C ZINC001607927628 1351587568 /nfs/dbraw/zinc/58/75/68/1351587568.db2.gz KZLYUGZCIONLSO-UHFFFAOYSA-N -2 0 341.414 2.464 20 0 EEADRL O=C([O-])CNC(=O)c1ccc(Nc2cc(F)cc(C(=O)[O-])c2)cc1 ZINC000071703585 1354191519 /nfs/dbraw/zinc/19/15/19/1354191519.db2.gz FJUFKDIYOXWGPL-UHFFFAOYSA-N -2 0 332.287 2.082 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc(Cl)nc2)ccc1Cl ZINC001188272364 1368292345 /nfs/dbraw/zinc/29/23/45/1368292345.db2.gz HUULLYRLUINHMC-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL Cc1cccc2c(-c3ccnc(NCCOP(=O)([O-])[O-])n3)c[nH]c21 ZINC001168586254 790521344 /nfs/dbraw/zinc/52/13/44/790521344.db2.gz GFUXWXKMGYGIJY-UHFFFAOYSA-N -2 0 348.299 2.455 20 0 EEADRL O=C([O-])C[C@@H](NS(=O)(=O)c1cccc(F)c1F)C1CCCC1 ZINC000906006086 783637777 /nfs/dbraw/zinc/63/77/77/783637777.db2.gz WIFTVENIIOGBDZ-LLVKDONJSA-N -2 0 333.356 2.277 20 0 EEADRL CCCc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])s1 ZINC000910182645 786514764 /nfs/dbraw/zinc/51/47/64/786514764.db2.gz JMVKRPNQTQZEIB-MWLCHTKSSA-N -2 0 325.386 2.091 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)c2ccc(C(F)F)cc2F)C1 ZINC000910184804 786516339 /nfs/dbraw/zinc/51/63/39/786516339.db2.gz WEXXUVGQWDRWSG-LDYMZIIASA-N -2 0 345.273 2.153 20 0 EEADRL Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])ccc1Cl ZINC000910185227 786517550 /nfs/dbraw/zinc/51/75/50/786517550.db2.gz VSXYYLGJOTXYNC-CMPLNLGQSA-N -2 0 325.748 2.038 20 0 EEADRL CSc1ccc(C)c(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1 ZINC000910187182 786519459 /nfs/dbraw/zinc/51/94/59/786519459.db2.gz BLACMGYNRFYAOF-MFKMUULPSA-N -2 0 337.397 2.107 20 0 EEADRL Cc1cc(S(=O)(=O)Nc2ccc(F)nc2)cc(C(=O)[O-])c1F ZINC000165804780 789575172 /nfs/dbraw/zinc/57/51/72/789575172.db2.gz ZAARMUFEHDPXEF-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCC[C@]2(C)C(=O)[O-])n1 ZINC000826570819 800395821 /nfs/dbraw/zinc/39/58/21/800395821.db2.gz PWSBRRSLQOTFCE-QGZVFWFLSA-N -2 0 347.346 2.105 20 0 EEADRL CC(C)(C)C[C@@H]([N-]S(=O)(=O)[C@@H]1CC[C@@H]1C(=O)[O-])C(F)(F)F ZINC001465112747 804125329 /nfs/dbraw/zinc/12/53/29/804125329.db2.gz OULMUXJKLFUXEO-DJLDLDEBSA-N -2 0 331.356 2.136 20 0 EEADRL O=P([O-])([O-])OCCNc1nc2ccc(Cl)cc2nc1Cl ZINC001157786917 810341682 /nfs/dbraw/zinc/34/16/82/810341682.db2.gz DJPGSUSBNXHQKF-UHFFFAOYSA-N -2 0 338.087 2.458 20 0 EEADRL O=C([O-])C1(c2ccc(S(=O)(=O)[N-]c3ccc(F)nc3)cc2)CC1 ZINC000322638424 970913419 /nfs/dbraw/zinc/91/34/19/970913419.db2.gz SYHSCEWSWLFBJB-UHFFFAOYSA-N -2 0 336.344 2.138 20 0 EEADRL O=C([O-])CCCCC(=O)Nc1ccc(-n2[n-]c(C3CC3)cc2=O)nc1 ZINC001595035064 951397114 /nfs/dbraw/zinc/39/71/14/951397114.db2.gz UZQWOTFVRJXXKB-UHFFFAOYSA-N -2 0 344.371 2.168 20 0 EEADRL C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cccc(Br)c1[O-] ZINC001589302999 953704679 /nfs/dbraw/zinc/70/46/79/953704679.db2.gz NLCLWKNPEQSBAY-BDAKNGLRSA-N -2 0 342.189 2.480 20 0 EEADRL CCC(CC)(CNS(=O)(=O)c1cccc(Cl)c1[O-])C(=O)[O-] ZINC001589507055 955041123 /nfs/dbraw/zinc/04/11/23/955041123.db2.gz ZYAKEZXYNGNDAD-UHFFFAOYSA-N -2 0 335.809 2.215 20 0 EEADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000389126206 972208306 /nfs/dbraw/zinc/20/83/06/972208306.db2.gz DCZNUPMODFQBOU-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL O=C([O-])C1CCC(NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])CC1 ZINC001594730429 957036006 /nfs/dbraw/zinc/03/60/06/957036006.db2.gz YDKWMISBLDXYPA-UHFFFAOYSA-N -2 0 347.346 2.090 20 0 EEADRL CCC[C@](C)([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000037908978 957335554 /nfs/dbraw/zinc/33/55/54/957335554.db2.gz HFYAHSVYAJQPKG-LBPRGKRZSA-N -2 0 325.308 2.026 20 0 EEADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2cncc(C(=O)[O-])c2)c1 ZINC001594096411 958409387 /nfs/dbraw/zinc/40/93/87/958409387.db2.gz DOYHKDIKLAGNHV-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL O=C([O-])c1sc2ccccc2c1S(=O)(=O)[N-]c1nncs1 ZINC000111830902 958442006 /nfs/dbraw/zinc/44/20/06/958442006.db2.gz WQLQTEWRRSTUSF-UHFFFAOYSA-N -2 0 341.395 2.252 20 0 EEADRL CCOC(=O)c1[n-]c(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)nc1Cl ZINC001573901293 961427627 /nfs/dbraw/zinc/42/76/27/961427627.db2.gz QTYNMLIDTOXKJX-QMMMGPOBSA-N -2 0 343.767 2.069 20 0 EEADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ncccc1Cl ZINC000318335847 970426974 /nfs/dbraw/zinc/42/69/74/970426974.db2.gz VJEUWBAXBUALJL-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL C[C@]1(C(=O)[O-])CCN(C(=O)c2cc(Br)cc(F)c2[O-])C1 ZINC001603301391 972578517 /nfs/dbraw/zinc/57/85/17/972578517.db2.gz UBJWWAJPKFVMLH-ZDUSSCGKSA-N -2 0 346.152 2.231 20 0 EEADRL O=C([O-])C1(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)CCCCC1 ZINC001605942514 972893497 /nfs/dbraw/zinc/89/34/97/972893497.db2.gz ZQDRYDDNLWTWJK-UHFFFAOYSA-N -2 0 331.328 2.004 20 0 EEADRL CCC(CC)(C(=O)[O-])C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001595047842 979261310 /nfs/dbraw/zinc/26/13/10/979261310.db2.gz LVZUCXCVSRCZFW-GFCCVEGCSA-N -2 0 325.336 2.001 20 0 EEADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@]2(C)CC2(F)F)c1F ZINC000871983440 980021970 /nfs/dbraw/zinc/02/19/70/980021970.db2.gz FIPZMWMIGWUEFZ-LBPRGKRZSA-N -2 0 337.319 2.156 20 0 EEADRL CCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001595586402 981532018 /nfs/dbraw/zinc/53/20/18/981532018.db2.gz YDSVYSMJEZFENT-QMMMGPOBSA-N -2 0 349.355 2.294 20 0 EEADRL CCC(C)(C)CCS(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001594800697 981888583 /nfs/dbraw/zinc/88/85/83/981888583.db2.gz DSJLPNHARJLUEN-VXGBXAGGSA-N -2 0 333.450 2.150 20 0 EEADRL CC[C@](C)(NC(=O)c1cc(Br)cc(F)c1[O-])C(=O)[O-] ZINC001594841558 982055605 /nfs/dbraw/zinc/05/56/05/982055605.db2.gz APVBGKXUGIXJFM-LBPRGKRZSA-N -2 0 334.141 2.277 20 0 EEADRL CC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001594930935 982556878 /nfs/dbraw/zinc/55/68/78/982556878.db2.gz CPAVAQAIIVDETK-MRVPVSSYSA-N -2 0 333.793 2.279 20 0 EEADRL CC[C@H](C)CO[N-]C(=O)C(=O)Nc1c(C)sc(C)c1C(=O)[O-] ZINC001594965268 982721690 /nfs/dbraw/zinc/72/16/90/982721690.db2.gz UGYSJRRMFTWMFF-ZETCQYMHSA-N -2 0 328.390 2.096 20 0 EEADRL C/C(=C\C(C)(C)C)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001588956396 984703198 /nfs/dbraw/zinc/70/31/98/984703198.db2.gz NQUSRKIFULVBMM-BQYQJAHWSA-N -2 0 329.374 2.084 20 0 EEADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)c1ccoc1C ZINC001599948060 985562136 /nfs/dbraw/zinc/56/21/36/985562136.db2.gz JVTXKHAVIWKMHW-JTQLQIEISA-N -2 0 339.369 2.276 20 0 EEADRL CCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)cc1OC ZINC001597556341 988288936 /nfs/dbraw/zinc/28/89/36/988288936.db2.gz MEAQUGHCQPNXHB-UHFFFAOYSA-N -2 0 336.369 2.152 20 0 EEADRL CCn1cnc(S(=O)(=O)[N-]c2ccc(SC)c(C(=O)[O-])c2)c1 ZINC001597920429 989846916 /nfs/dbraw/zinc/84/69/16/989846916.db2.gz FHQTZPHQTCDCCL-UHFFFAOYSA-N -2 0 341.414 2.124 20 0 EEADRL COc1cccc(S(=O)(=O)[N-]c2nc3c(cccc3C(=O)[O-])[nH]2)c1 ZINC001599684278 990962403 /nfs/dbraw/zinc/96/24/03/990962403.db2.gz KMQDFMUQAAYJAL-UHFFFAOYSA-N -2 0 347.352 2.071 20 0 EEADRL CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)c1c([O-])cccc1F ZINC001598522316 992676786 /nfs/dbraw/zinc/67/67/86/992676786.db2.gz BHHIFYPBQTZLDO-UHFFFAOYSA-N -2 0 333.315 2.267 20 0 EEADRL C[C@@H](NC(=O)c1c([O-])cc(F)cc1F)c1ncc(C(=O)[O-])s1 ZINC001593146512 993944277 /nfs/dbraw/zinc/94/42/77/993944277.db2.gz OGTSHPJCLKEIFL-RXMQYKEDSA-N -2 0 328.296 2.316 20 0 EEADRL C[C@@](NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])(C(=O)[O-])C1CC1 ZINC001593189298 994112309 /nfs/dbraw/zinc/11/23/09/994112309.db2.gz OSLNSYNTICOQCD-INIZCTEOSA-N -2 0 349.774 2.214 20 0 EEADRL COc1cccc([C@H](C(=O)[O-])N(C)C(=O)c2cccc(F)c2[O-])c1 ZINC001599648181 994455158 /nfs/dbraw/zinc/45/51/58/994455158.db2.gz KCGNCCGNIARGRH-CQSZACIVSA-N -2 0 333.315 2.438 20 0 EEADRL C[C@H](S[C@@H](C)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)C(=O)[O-] ZINC001593659829 996036247 /nfs/dbraw/zinc/03/62/47/996036247.db2.gz XSAZFRJNYHCRQQ-WDSKDSINSA-N -2 0 333.312 2.196 20 0 EEADRL CC1(C)CC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001593883941 996719695 /nfs/dbraw/zinc/71/96/95/996719695.db2.gz YLRBUGTYKBGADF-MRVPVSSYSA-N -2 0 345.804 2.279 20 0 EEADRL CC1(C)CC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001593883942 996719737 /nfs/dbraw/zinc/71/97/37/996719737.db2.gz YLRBUGTYKBGADF-QMMMGPOBSA-N -2 0 345.804 2.279 20 0 EEADRL COc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC001599377583 998512044 /nfs/dbraw/zinc/51/20/44/998512044.db2.gz FZFAIHXARKQJTP-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL C[C@@H]1CCN(Cc2ncc(Br)cc2[O-])[C@@H](C(=O)[O-])C1 ZINC001594427615 999597929 /nfs/dbraw/zinc/59/79/29/999597929.db2.gz WKAJGKBZMBJSHC-LDYMZIIASA-N -2 0 329.194 2.235 20 0 EEADRL COc1cccc(S(=O)(=O)Nc2c(F)cccc2C(=O)[O-])c1 ZINC000388419182 539940544 /nfs/dbraw/zinc/94/05/44/539940544.db2.gz YIBIKDVUNGBPGE-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL CN(C)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000035164470 213012437 /nfs/dbraw/zinc/01/24/37/213012437.db2.gz MOQDHNYHIKJPTO-UHFFFAOYSA-N -2 0 326.399 2.313 20 0 EEADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000079701052 217248930 /nfs/dbraw/zinc/24/89/30/217248930.db2.gz PLMULUTWNCMRMQ-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)nc1C ZINC000348866229 144792924 /nfs/dbraw/zinc/79/29/24/144792924.db2.gz LVDPOBYFHGKUCW-UHFFFAOYSA-N -2 0 348.384 2.192 20 0 EEADRL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000275058810 269089697 /nfs/dbraw/zinc/08/96/97/269089697.db2.gz UJVOXIGJDIYUKM-JTQLQIEISA-N -2 0 339.335 2.272 20 0 EEADRL CCC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000433600301 314783869 /nfs/dbraw/zinc/78/38/69/314783869.db2.gz QIRRMYMSFJAFJZ-UHFFFAOYSA-N -2 0 336.369 2.117 20 0 EEADRL COc1cc(O)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000543729167 318169463 /nfs/dbraw/zinc/16/94/63/318169463.db2.gz SEVKGURNNVELFB-UHFFFAOYSA-N -2 0 343.382 2.270 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2c(C)ccc(F)c2C(=O)[O-])nc1C ZINC000548203450 318365054 /nfs/dbraw/zinc/36/50/54/318365054.db2.gz LXAWQGWNUDVYEF-UHFFFAOYSA-N -2 0 341.364 2.158 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)c(C(=O)[O-])c1 ZINC000336870262 465063341 /nfs/dbraw/zinc/06/33/41/465063341.db2.gz IIMUWDWPWUCMNJ-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL Cc1cnc(N)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000358563932 465195156 /nfs/dbraw/zinc/19/51/56/465195156.db2.gz RIZWZJXCNBVWDX-UHFFFAOYSA-N -2 0 341.776 2.125 20 0 EEADRL COc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1O ZINC000351753303 465340261 /nfs/dbraw/zinc/34/02/61/465340261.db2.gz DZEQFBIROOFLRT-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(Cl)nc2)c1 ZINC000075081457 462672157 /nfs/dbraw/zinc/67/21/57/462672157.db2.gz WSTLVCTXMMTTTM-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL Cc1ccc(F)c([N-]S(=O)(=O)c2cn(C(C)C)cn2)c1C(=O)[O-] ZINC000090164046 462781864 /nfs/dbraw/zinc/78/18/64/462781864.db2.gz WUZWHZIGSLUUMU-UHFFFAOYSA-N -2 0 341.364 2.411 20 0 EEADRL CCc1nn(C)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000091021914 462821473 /nfs/dbraw/zinc/82/14/73/462821473.db2.gz MVXYOUOGSQWNOX-UHFFFAOYSA-N -2 0 337.401 2.098 20 0 EEADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)c1 ZINC000058232146 463558045 /nfs/dbraw/zinc/55/80/45/463558045.db2.gz VADVEJYOCPUPHF-UHFFFAOYSA-N -2 0 343.364 2.371 20 0 EEADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)C[C@H](C)C(=O)[O-])n2)cc1 ZINC000263234635 464067867 /nfs/dbraw/zinc/06/78/67/464067867.db2.gz QVYRYYWHDGVZAC-LBPRGKRZSA-N -2 0 345.399 2.494 20 0 EEADRL O=C([O-])C1(NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)CC1 ZINC000282857763 464976500 /nfs/dbraw/zinc/97/65/00/464976500.db2.gz OFDRJMUJLXRXCW-UHFFFAOYSA-N -2 0 343.710 2.254 20 0 EEADRL CCOc1ccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cc1 ZINC000353507296 465940326 /nfs/dbraw/zinc/94/03/26/465940326.db2.gz BHDQSGBGBVNLDO-UHFFFAOYSA-N -2 0 340.339 2.395 20 0 EEADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(O)c1C ZINC000315049902 466556740 /nfs/dbraw/zinc/55/67/40/466556740.db2.gz PEAAOGBDBFVGRB-UHFFFAOYSA-N -2 0 325.342 2.409 20 0 EEADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c[nH]nc21 ZINC000316269756 466571435 /nfs/dbraw/zinc/57/14/35/466571435.db2.gz QXZBZOTVBMXKKG-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL COc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)ccc1F ZINC000319945236 466601430 /nfs/dbraw/zinc/60/14/30/466601430.db2.gz OYEDHYGXVIRZLM-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2O)cc1C(=O)[O-] ZINC000433819114 467355525 /nfs/dbraw/zinc/35/55/25/467355525.db2.gz PAIDKEMBGMLXIP-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL C[C@H]([C@H](NS(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-])C1CC1 ZINC000548992972 468164551 /nfs/dbraw/zinc/16/45/51/468164551.db2.gz JVBCMZKZNZMVNP-MADCSZMMSA-N -2 0 335.784 2.257 20 0 EEADRL COc1cc(C(=O)[O-])ccc1CCN=c1nc([C@@H](C)OC)[n-]s1 ZINC000649408025 470578385 /nfs/dbraw/zinc/57/83/85/470578385.db2.gz UZMJPKLHXRGJHQ-SECBINFHSA-N -2 0 337.401 2.029 20 0 EEADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC000663038671 472335517 /nfs/dbraw/zinc/33/55/17/472335517.db2.gz QHUWEOXEELLUHA-GFCCVEGCSA-N -2 0 349.412 2.246 20 0 EEADRL COC(=O)c1sccc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC000737723451 577179960 /nfs/dbraw/zinc/17/99/60/577179960.db2.gz LAEYUHGHXDNIMG-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NCCCCC(=O)[O-])n1 ZINC000773220587 577324300 /nfs/dbraw/zinc/32/43/00/577324300.db2.gz KNKROWVXXLGCTC-UHFFFAOYSA-N -2 0 335.335 2.010 20 0 EEADRL O=C([O-])c1ccc2c(c1)CN(C(=O)c1n[n-]c3ccccc3c1=O)CC2 ZINC000777376577 577477590 /nfs/dbraw/zinc/47/75/90/577477590.db2.gz IATDQEBMLVCDMN-UHFFFAOYSA-N -2 0 349.346 2.232 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cc(O)cc(F)c2)c1 ZINC000752858741 577777185 /nfs/dbraw/zinc/77/71/85/577777185.db2.gz KPTOQFPTMCCGAT-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL CCc1noc(C)c1[N-]S(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000754758882 577812237 /nfs/dbraw/zinc/81/22/37/577812237.db2.gz FUHQBMICSFQLOR-UHFFFAOYSA-N -2 0 342.348 2.492 20 0 EEADRL O=C([O-])c1ccc(CCC(=O)[N-]S(=O)(=O)C2CCCCC2)cc1 ZINC000739255649 578045870 /nfs/dbraw/zinc/04/58/70/578045870.db2.gz DNZQPWBBLUHIPV-UHFFFAOYSA-N -2 0 339.413 2.096 20 0 EEADRL CC(C)c1ccc(CCC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])cc1 ZINC000736512243 578209518 /nfs/dbraw/zinc/20/95/18/578209518.db2.gz GHOZEINYNUOHHX-UHFFFAOYSA-N -2 0 341.429 2.053 20 0 EEADRL CN(C(=O)c1c([O-])cc(F)cc1F)c1nc(CC(=O)[O-])cs1 ZINC000737334102 578250901 /nfs/dbraw/zinc/25/09/01/578250901.db2.gz RHOHDERHWODQFB-UHFFFAOYSA-N -2 0 328.296 2.031 20 0 EEADRL O=C([O-])Cc1csc([N-]S(=O)(=O)c2cccc3cnccc32)n1 ZINC000390600016 600053049 /nfs/dbraw/zinc/05/30/49/600053049.db2.gz FKPMSRWZTWXDOF-UHFFFAOYSA-N -2 0 349.393 2.119 20 0 EEADRL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cnccc2C(=O)[O-])c1 ZINC000324966187 600513792 /nfs/dbraw/zinc/51/37/92/600513792.db2.gz YQUPCMRVNWPNHD-UHFFFAOYSA-N -2 0 343.364 2.437 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1n[nH]c2ccccc21 ZINC000832853464 601201413 /nfs/dbraw/zinc/20/14/13/601201413.db2.gz XXWLGWKSEOBFQH-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL O=C([O-])c1c(F)ccc(S(=O)(=O)NC[C@@H]2CC=CCC2)c1F ZINC000315020104 601232508 /nfs/dbraw/zinc/23/25/08/601232508.db2.gz LEJKJSLLMJLLQR-SECBINFHSA-N -2 0 331.340 2.298 20 0 EEADRL CCOc1ncccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000324763190 601324256 /nfs/dbraw/zinc/32/42/56/601324256.db2.gz AEBLBCXDAGBLBV-YFHOEESVSA-N -2 0 348.380 2.379 20 0 EEADRL O=C([O-])C[C@@H](NC(=O)c1cccc(Br)c1[O-])C1CC1 ZINC000833199832 601563777 /nfs/dbraw/zinc/56/37/77/601563777.db2.gz ABPGZGRMLMMLEN-SNVBAGLBSA-N -2 0 328.162 2.138 20 0 EEADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@@H](C(=O)[O-])C3CC3)n2)cc1 ZINC000827112752 601758429 /nfs/dbraw/zinc/75/84/29/601758429.db2.gz OQUCNRBVPKGNHX-OAHLLOKOSA-N -2 0 343.383 2.294 20 0 EEADRL CCCCC[C@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])C(=O)[O-] ZINC000829339345 601760675 /nfs/dbraw/zinc/76/06/75/601760675.db2.gz HZBRROBTKBXGHQ-ZDUSSCGKSA-N -2 0 331.372 2.341 20 0 EEADRL O=C([O-])CN(C(=O)c1nn(-c2ccccc2F)cc1[O-])C1CCCC1 ZINC000833248252 601871484 /nfs/dbraw/zinc/87/14/84/601871484.db2.gz CFFVWQYDCMVWHH-UHFFFAOYSA-N -2 0 347.346 2.186 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)n[nH]c1C1CC1 ZINC000832852695 602102843 /nfs/dbraw/zinc/10/28/43/602102843.db2.gz GLSFELYXGASSFD-UHFFFAOYSA-N -2 0 335.385 2.403 20 0 EEADRL COC(=O)c1csc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC000831466755 602117808 /nfs/dbraw/zinc/11/78/08/602117808.db2.gz DAGQAFBAOMQEPV-UHFFFAOYSA-N -2 0 347.395 2.095 20 0 EEADRL CC(C)Cc1cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])n[nH]1 ZINC000826909790 602211694 /nfs/dbraw/zinc/21/16/94/602211694.db2.gz LTDXAFIWAGXSSH-UHFFFAOYSA-N -2 0 341.364 2.246 20 0 EEADRL CC(C)(CC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)C(=O)[O-] ZINC000826529621 604791689 /nfs/dbraw/zinc/79/16/89/604791689.db2.gz RNHKVHWWLJOZEJ-UHFFFAOYSA-N -2 0 329.736 2.243 20 0 EEADRL CC1(C)CC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000833557127 605087797 /nfs/dbraw/zinc/08/77/97/605087797.db2.gz NJBGNTLAVXJASG-LLVKDONJSA-N -2 0 325.386 2.016 20 0 EEADRL COc1ccc(O)c([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])c1 ZINC000833733834 605188156 /nfs/dbraw/zinc/18/81/56/605188156.db2.gz RZCHTAGCABYIGN-UHFFFAOYSA-N -2 0 337.353 2.208 20 0 EEADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000863965679 1197939708 /nfs/dbraw/zinc/93/97/08/1197939708.db2.gz LKPIHPZAVMZLBY-NSHDSACASA-N -2 0 347.820 2.033 20 0 EEADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)[N-]n3ccccc3=O)n2)c1 ZINC000777786122 1206479733 /nfs/dbraw/zinc/47/97/33/1206479733.db2.gz DOVROMQZFYYXJY-UHFFFAOYSA-N -2 0 338.367 2.247 20 0 EEADRL O=C([O-])Cn1cc(/C=C/C(=O)c2cc(Cl)c(Cl)cc2[O-])nn1 ZINC000193061489 1210709293 /nfs/dbraw/zinc/70/92/93/1210709293.db2.gz XFICIOXBMMBREJ-OWOJBTEDSA-N -2 0 342.138 2.271 20 0 EEADRL COc1nccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185876374 1278813007 /nfs/dbraw/zinc/81/30/07/1278813007.db2.gz OHKVWJVTBLBZMQ-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccnc(Cl)c1O ZINC001185879076 1278846182 /nfs/dbraw/zinc/84/61/82/1278846182.db2.gz HLNQKIZRACCHMG-UHFFFAOYSA-N -2 0 342.760 2.248 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccn2nccc12 ZINC001185878715 1278846955 /nfs/dbraw/zinc/84/69/55/1278846955.db2.gz BRHTVUAXMWIIEF-UHFFFAOYSA-N -2 0 331.353 2.142 20 0 EEADRL Cn1cnc2c1cccc2[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186193035 1278984772 /nfs/dbraw/zinc/98/47/72/1278984772.db2.gz IYUZBRPNFQVJEP-UHFFFAOYSA-N -2 0 349.343 2.211 20 0 EEADRL O=S(=O)([N-]c1ccc(Br)cc1[S-])c1c[nH]cn1 ZINC001187762480 1279645699 /nfs/dbraw/zinc/64/56/99/1279645699.db2.gz NXQGQMJIAHHNNQ-UHFFFAOYSA-N -2 0 334.220 2.262 20 0 EEADRL O=C(c1ccccc1OP(=O)([O-])[O-])N1CCCC(F)(F)CC1 ZINC001189861588 1280522582 /nfs/dbraw/zinc/52/25/82/1280522582.db2.gz WJVOLWNGFUHTKA-UHFFFAOYSA-N -2 0 335.243 2.420 20 0 EEADRL CC[C@@H](NC(=O)c1ccccc1OP(=O)([O-])[O-])C(F)(F)F ZINC001189899755 1280571261 /nfs/dbraw/zinc/57/12/61/1280571261.db2.gz UMSYVDMHEATHMZ-SECBINFHSA-N -2 0 327.195 2.229 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cnc2c(c1)CCCC2 ZINC001198742224 1285315298 /nfs/dbraw/zinc/31/52/98/1285315298.db2.gz YLDXQBNAEFQSFJ-UHFFFAOYSA-N -2 0 332.381 2.459 20 0 EEADRL CCOC(=O)N1CCC[C@@H](Oc2ccc(OP(=O)([O-])[O-])cc2)C1 ZINC001234337673 1304885830 /nfs/dbraw/zinc/88/58/30/1304885830.db2.gz JLNSRGVCGYTUAV-CYBMUJFWSA-N -2 0 345.288 2.158 20 0 EEADRL COC(=O)[C@H](C)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc1 ZINC001242160037 1309622474 /nfs/dbraw/zinc/62/24/74/1309622474.db2.gz CDGDABIOCOALHM-SECBINFHSA-N -2 0 329.308 2.422 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccc(N3CCNC3=O)c2)c1 ZINC001242161325 1309623834 /nfs/dbraw/zinc/62/38/34/1309623834.db2.gz UGDCPISNTMOLQO-UHFFFAOYSA-N -2 0 326.308 2.280 20 0 EEADRL O=C([O-])CCC(=O)Nc1ccc(-c2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC001244034262 1309902037 /nfs/dbraw/zinc/90/20/37/1309902037.db2.gz IWUNZJXRNBCXQV-UHFFFAOYSA-N -2 0 349.364 2.404 20 0 EEADRL Nc1cccc(-c2cc(=O)n(-c3ccc(S(=O)(=O)[O-])cc3)[n-]2)c1 ZINC001245948735 1310194299 /nfs/dbraw/zinc/19/42/99/1310194299.db2.gz KVYDFOAVLHURGT-UHFFFAOYSA-N -2 0 331.353 2.074 20 0 EEADRL COc1ccc(-c2nnc(-c3cc(S(=O)(=O)[O-])ccc3[O-])o2)cc1 ZINC001251955059 1317528423 /nfs/dbraw/zinc/52/84/23/1317528423.db2.gz OLRDWTKHRQOUOI-UHFFFAOYSA-N -2 0 348.336 2.365 20 0 EEADRL Cc1cnc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 ZINC001260210025 1319832655 /nfs/dbraw/zinc/83/26/55/1319832655.db2.gz NATQRCXAWFSWLK-UHFFFAOYSA-N -2 0 345.739 2.077 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]nc(C(=O)[O-])c3c2)s1 ZINC001600483191 1350062214 /nfs/dbraw/zinc/06/22/14/1350062214.db2.gz LNLYOJQCMLYMPS-UHFFFAOYSA-N -2 0 337.382 2.432 20 0 EEADRL O=C([O-])COc1ccc([N-]S(=O)(=O)c2ccoc2)cc1Cl ZINC001602091192 1350434954 /nfs/dbraw/zinc/43/49/54/1350434954.db2.gz OPIKIAIAUUXDCL-UHFFFAOYSA-N -2 0 331.733 2.197 20 0 EEADRL O=C([O-])C1(S(=O)(=O)[N-][C@@H](C2CCCCC2)C(F)(F)F)CCC1 ZINC001608579481 1351719871 /nfs/dbraw/zinc/71/98/71/1351719871.db2.gz JZWFSLLSJVOERM-JTQLQIEISA-N -2 0 343.367 2.424 20 0 EEADRL O=C([O-])C[C@@H]1COCCN1C(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001608701037 1351744779 /nfs/dbraw/zinc/74/47/79/1351744779.db2.gz ISRQPQIJRCSULY-MRVPVSSYSA-N -2 0 334.155 2.015 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)nn2)o1 ZINC001608913434 1351792297 /nfs/dbraw/zinc/79/22/97/1351792297.db2.gz NCVLCPGPCOKONZ-UHFFFAOYSA-N -2 0 345.336 2.236 20 0 EEADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]c2noc3ccccc32)c1 ZINC001608932909 1351797682 /nfs/dbraw/zinc/79/76/82/1351797682.db2.gz KWXDRHXKOUJQKG-UHFFFAOYSA-N -2 0 332.337 2.468 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)[N-]CC(F)(F)c2ccccc2)c1 ZINC001608990998 1351809739 /nfs/dbraw/zinc/80/97/39/1351809739.db2.gz YYXJJOIPJLCUAM-UHFFFAOYSA-N -2 0 331.296 2.048 20 0 EEADRL CC(C)n1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)n1 ZINC001609724256 1352069499 /nfs/dbraw/zinc/06/94/99/1352069499.db2.gz CKNPVQRNZOSODU-UHFFFAOYSA-N -2 0 341.364 2.031 20 0 EEADRL C[C@H](CCC(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])c1ccccc1 ZINC001609737767 1352072958 /nfs/dbraw/zinc/07/29/58/1352072958.db2.gz ILRKXUNVWXKDBL-JHJVBQTASA-N -2 0 341.429 2.126 20 0 EEADRL CCOC(=O)c1cnc(/C=C/c2ccoc2C(=O)[O-])c(C(=O)[O-])c1 ZINC001610024091 1352143741 /nfs/dbraw/zinc/14/37/41/1352143741.db2.gz PLZPHJMVFGNTLW-ONEGZZNKSA-N -2 0 331.280 2.418 20 0 EEADRL Cc1noc(C)c1S(=O)(=O)[N-]c1nc(C(=O)[O-])c(C2CC2)s1 ZINC001610577904 1352248282 /nfs/dbraw/zinc/24/82/82/1352248282.db2.gz VUAUMSJEIZQQHL-UHFFFAOYSA-N -2 0 343.386 2.124 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnoc2C2CC2)c(F)cc1F ZINC001610816964 1352279657 /nfs/dbraw/zinc/27/96/57/1352279657.db2.gz HWGJLAGRGHJUAY-UHFFFAOYSA-N -2 0 344.295 2.329 20 0 EEADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)/C=C\c2ccccc2)s1 ZINC001610822705 1352280863 /nfs/dbraw/zinc/28/08/63/1352280863.db2.gz UDFZVWKDBKKCBD-HJWRWDBZSA-N -2 0 337.378 2.177 20 0 EEADRL Cc1ccc(-n2[n-]c(C(=O)Nc3sccc3C(=O)[O-])cc2=O)cc1 ZINC001600321305 1350019915 /nfs/dbraw/zinc/01/99/15/1350019915.db2.gz GSHSFEPTOCULCU-UHFFFAOYSA-N -2 0 343.364 2.486 20 0 EEADRL Cc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)s1 ZINC001600623730 1350100362 /nfs/dbraw/zinc/10/03/62/1350100362.db2.gz PAFXJNPOOSFOOR-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL Cc1nc(-c2ccccc2)ccc1C(=O)N(CCC(=O)[O-])CC(=O)[O-] ZINC001600676569 1350114613 /nfs/dbraw/zinc/11/46/13/1350114613.db2.gz BLGOCAFMRUDPIY-UHFFFAOYSA-N -2 0 342.351 2.059 20 0 EEADRL Cc1nc(C)c(S(=O)(=O)[N-]c2cnc(C(=O)[O-])c(Cl)c2)s1 ZINC001600692321 1350117026 /nfs/dbraw/zinc/11/70/26/1350117026.db2.gz FIPGPDXUAFNYSO-UHFFFAOYSA-N -2 0 347.805 2.307 20 0 EEADRL Cc1sc(C(=O)[O-])cc1NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC001600868003 1350155877 /nfs/dbraw/zinc/15/58/77/1350155877.db2.gz RNLRMANYSAUFEO-UHFFFAOYSA-N -2 0 338.307 2.150 20 0 EEADRL O=C([O-])c1ccc(NC(=O)C(=O)[N-]OC2CCCC2)c2ccccc12 ZINC001601563171 1350307210 /nfs/dbraw/zinc/30/72/10/1350307210.db2.gz GMRFRNWMBYZTST-UHFFFAOYSA-N -2 0 342.351 2.467 20 0 EEADRL O=C([O-])C1(CS(=O)(=O)[N-][C@H]2CCCC2(F)F)CCCCC1 ZINC001601712075 1350345523 /nfs/dbraw/zinc/34/55/23/1350345523.db2.gz ADQJDRBOKKMEBC-JTQLQIEISA-N -2 0 325.377 2.129 20 0 EEADRL O=C([O-])[C@H]1CSCCN(C(=O)c2ccc3oc(=S)[n-]c3c2)C1 ZINC001601856568 1350381683 /nfs/dbraw/zinc/38/16/83/1350381683.db2.gz QDDZISDAQRDCDI-SECBINFHSA-N -2 0 338.410 2.006 20 0 EEADRL O=C([O-])CC1CC(NC(=O)c2cccc(Br)c2[O-])C1 ZINC001601945242 1350403006 /nfs/dbraw/zinc/40/30/06/1350403006.db2.gz CWJLRTQPAOVLJW-UHFFFAOYSA-N -2 0 328.162 2.138 20 0 EEADRL O=C([O-])CCCCCNC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001601985242 1350411284 /nfs/dbraw/zinc/41/12/84/1350411284.db2.gz GMOAHFIKESKCTC-UHFFFAOYSA-N -2 0 326.324 2.219 20 0 EEADRL O=C([O-])CCCc1csc(NC(=O)c2ccc3oc(=O)nc-3[n-]2)n1 ZINC001601999751 1350414192 /nfs/dbraw/zinc/41/41/92/1350414192.db2.gz DMQDFHZZLJDEFH-UHFFFAOYSA-N -2 0 348.340 2.045 20 0 EEADRL O=C([O-])C[C@@H](Cc1ccccc1)NC(=O)c1cc(F)c([O-])c(F)c1 ZINC001602104301 1350438663 /nfs/dbraw/zinc/43/86/63/1350438663.db2.gz MXEDHWCBGKFDLM-GFCCVEGCSA-N -2 0 335.306 2.486 20 0 EEADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)/C=C/c2ccccc2)c(F)c1 ZINC001602324169 1350494491 /nfs/dbraw/zinc/49/44/91/1350494491.db2.gz CTYVMTQQRRARTM-CMDGGOBGSA-N -2 0 349.339 2.254 20 0 EEADRL O=C([O-])c1ccc(C(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)cc1 ZINC001602324024 1350494564 /nfs/dbraw/zinc/49/45/64/1350494564.db2.gz ZZEOEGFFOKRFNO-UHFFFAOYSA-N -2 0 340.335 2.285 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2OC(F)F)nc1 ZINC001602385346 1350507830 /nfs/dbraw/zinc/50/78/30/1350507830.db2.gz IFDWVMDQIJFFDR-UHFFFAOYSA-N -2 0 344.295 2.182 20 0 EEADRL O=C([O-])c1cnc(CNS(=O)(=O)c2cc3ccccc3o2)s1 ZINC001602522815 1350537917 /nfs/dbraw/zinc/53/79/17/1350537917.db2.gz DKNGPEMFSZVOKZ-UHFFFAOYSA-N -2 0 338.366 2.066 20 0 EEADRL O=C([O-])c1coc(CNS(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC001602556446 1350545348 /nfs/dbraw/zinc/54/53/48/1350545348.db2.gz LRVQFOIQQHWPLW-UHFFFAOYSA-N -2 0 333.724 2.249 20 0 EEADRL CC(C)(C(=O)[O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cn2)cc1 ZINC001603274983 1350676732 /nfs/dbraw/zinc/67/67/32/1350676732.db2.gz VYVQNKSWUCRVIF-UHFFFAOYSA-N -2 0 338.360 2.384 20 0 EEADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1ccc2sccc2c1)C(=O)[O-] ZINC001603661178 1350736782 /nfs/dbraw/zinc/73/67/82/1350736782.db2.gz ZNQNTVGZUNCMPH-UHFFFAOYSA-N -2 0 341.410 2.072 20 0 EEADRL C[C@H](/C=C/C(=O)[O-])NC(=O)c1cc(Br)cc(F)c1[O-] ZINC001604058750 1350842910 /nfs/dbraw/zinc/84/29/10/1350842910.db2.gz FXGHPHGNTJIOFC-YRFDSLTASA-N -2 0 332.125 2.053 20 0 EEADRL C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1ccco1 ZINC001604068820 1350846068 /nfs/dbraw/zinc/84/60/68/1350846068.db2.gz XSZVZHSEKMETCA-MRVPVSSYSA-N -2 0 343.382 2.038 20 0 EEADRL C[C@]1(C(=O)[O-])CCN(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)C1 ZINC001604499213 1350949509 /nfs/dbraw/zinc/94/95/09/1350949509.db2.gz YINZIJVEQSIGEL-AWEZNQCLSA-N -2 0 326.736 2.367 20 0 EEADRL CCCCc1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)o1 ZINC001605293644 1351127477 /nfs/dbraw/zinc/12/74/77/1351127477.db2.gz YEQFADOFHYDRQQ-UHFFFAOYSA-N -2 0 343.336 2.050 20 0 EEADRL CCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1OC ZINC001605821491 1351228333 /nfs/dbraw/zinc/22/83/33/1351228333.db2.gz IWDOVHDVKBPGRT-UHFFFAOYSA-N -2 0 325.342 2.350 20 0 EEADRL COc1ccc(S(=O)(=O)C=C([O-])c2ccc(C(=O)[O-])cc2)cc1 ZINC001607283705 1351465135 /nfs/dbraw/zinc/46/51/35/1351465135.db2.gz MEPWIGXQIQRKRI-UHFFFAOYSA-N -2 0 334.349 2.050 20 0 EEADRL Cc1cc(NC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)ccc1C(=O)[O-] ZINC001607692394 1351540438 /nfs/dbraw/zinc/54/04/38/1351540438.db2.gz UYKDDLIJILPDOD-UHFFFAOYSA-N -2 0 339.307 2.289 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cc(C)ccc2Cl)cnn1CC(=O)[O-] ZINC001607788515 1351558964 /nfs/dbraw/zinc/55/89/64/1351558964.db2.gz KOTJBDSKBMUABC-UHFFFAOYSA-N -2 0 343.792 2.039 20 0 EEADRL Cc1ccnc([N-]S(=O)(=O)c2scnc2C(=O)[O-])c1C1CC1 ZINC001607895198 1351581197 /nfs/dbraw/zinc/58/11/97/1351581197.db2.gz NSKYBVBPWCEARY-UHFFFAOYSA-N -2 0 339.398 2.223 20 0 EEADRL Cc1csc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1C(=O)[O-] ZINC001607934081 1351588768 /nfs/dbraw/zinc/58/87/68/1351588768.db2.gz MLPLIRXZQIEDEI-UHFFFAOYSA-N -2 0 339.394 2.490 20 0 EEADRL O=C(/C=C\C1CCCCCC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001608284059 1351662839 /nfs/dbraw/zinc/66/28/39/1351662839.db2.gz YYBAONIMBGIFQE-FPLPWBNLSA-N -2 0 341.385 2.309 20 0 EEADRL CN(Cc1n[nH]c(=O)[n-]1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001606175901 1404772717 /nfs/dbraw/zinc/77/27/17/1404772717.db2.gz YBCKVHMXCAIESP-JTQLQIEISA-N -2 0 331.159 2.075 20 0 EEADRL CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)nn1C ZINC000817352395 784692519 /nfs/dbraw/zinc/69/25/19/784692519.db2.gz HIWSQLPTMGLOST-UHFFFAOYSA-N -2 0 337.401 2.098 20 0 EEADRL O=C([O-])C[C@H]1CSCCN1C(=O)c1ccc(C(F)(F)F)cc1O ZINC000909015552 785950306 /nfs/dbraw/zinc/95/03/06/785950306.db2.gz DPCUGNNWJIPCMK-VIFPVBQESA-N -2 0 349.330 2.443 20 0 EEADRL CCOc1cc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)cc(Cl)c1O ZINC000909799961 786236181 /nfs/dbraw/zinc/23/61/81/786236181.db2.gz QGCGQBFHRUNRPI-WCBMZHEXSA-N -2 0 327.764 2.380 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)C1 ZINC000910191703 786523675 /nfs/dbraw/zinc/52/36/75/786523675.db2.gz KREVWYAPXDDIQH-XLWJZTARSA-N -2 0 337.416 2.369 20 0 EEADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[O-])N(C(=O)C[C@@H]2C[C@H]2Cc2ccccc2)C1 ZINC000923101181 788834260 /nfs/dbraw/zinc/83/42/60/788834260.db2.gz GKZOHSMSGYRVMU-LVQVYYBASA-N -2 0 345.395 2.032 20 0 EEADRL COC(=O)c1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1O ZINC001176241432 798391971 /nfs/dbraw/zinc/39/19/71/798391971.db2.gz GYRYEWAYKNADET-UHFFFAOYSA-N -2 0 331.280 2.319 20 0 EEADRL CC(C)(CC(=O)NCCOP(=O)([O-])[O-])c1ccccc1Cl ZINC001183890727 801784900 /nfs/dbraw/zinc/78/49/00/801784900.db2.gz MDHZIUSTCQBGOR-UHFFFAOYSA-N -2 0 335.724 2.233 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2ncnc3sccc32)cc1C(=O)[O-] ZINC001184659599 802122129 /nfs/dbraw/zinc/12/21/29/802122129.db2.gz KHYWSHRDZKACFX-UHFFFAOYSA-N -2 0 349.393 2.499 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cccc3cn(C)nc32)cc1C(=O)[O-] ZINC001184696299 802132505 /nfs/dbraw/zinc/13/25/05/802132505.db2.gz VCUYAOHAOFOKCR-UHFFFAOYSA-N -2 0 345.380 2.381 20 0 EEADRL O=P([O-])([O-])c1ccc(NCc2ccc(Br)nc2)cc1 ZINC001162016128 802144054 /nfs/dbraw/zinc/14/40/54/802144054.db2.gz LLYZLKMOMUEBDM-UHFFFAOYSA-N -2 0 343.117 2.259 20 0 EEADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C(C)C)c1 ZINC000793387341 810312105 /nfs/dbraw/zinc/31/21/05/810312105.db2.gz FFSQLGAQEVBCRQ-UHFFFAOYSA-N -2 0 341.364 2.411 20 0 EEADRL CCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])nc2)cc1 ZINC000322350431 970874922 /nfs/dbraw/zinc/87/49/22/970874922.db2.gz FFPACSHOLGOBEJ-UHFFFAOYSA-N -2 0 336.369 2.369 20 0 EEADRL CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(Br)c(F)cc1[O-] ZINC001589435945 954687715 /nfs/dbraw/zinc/68/77/15/954687715.db2.gz RLTZJSMWTJPOON-VIFPVBQESA-N -2 0 334.141 2.229 20 0 EEADRL Cc1csc(C(=O)[O-])c1[N-]S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000390604390 972294814 /nfs/dbraw/zinc/29/48/14/972294814.db2.gz GMENZOHWIKBWNC-UHFFFAOYSA-N -2 0 337.382 2.131 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2scnc2C2CC2)ccc1O ZINC001260393681 960720608 /nfs/dbraw/zinc/72/06/08/960720608.db2.gz BLLNKYPRSRAGMJ-UHFFFAOYSA-N -2 0 340.382 2.225 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000315593458 963917958 /nfs/dbraw/zinc/91/79/58/963917958.db2.gz SENTYYWGDFHFJI-UHFFFAOYSA-N -2 0 341.366 2.254 20 0 EEADRL COCCc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000319978866 970596727 /nfs/dbraw/zinc/59/67/27/970596727.db2.gz OBGAILVJUYSZSL-UHFFFAOYSA-N -2 0 341.410 2.436 20 0 EEADRL C[C@H](/C=C\C(=O)[O-])NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC001592206832 977246673 /nfs/dbraw/zinc/24/66/73/977246673.db2.gz WMYCMWCLYRKIFF-RQVRIRCRSA-N -2 0 329.308 2.224 20 0 EEADRL C[C@H](CN(Cc1ccccc1)S(=O)(=O)c1ccccc1[O-])C(=O)[O-] ZINC001592610211 978561488 /nfs/dbraw/zinc/56/14/88/978561488.db2.gz UJVSMUJDNJEGHC-CYBMUJFWSA-N -2 0 349.408 2.304 20 0 EEADRL CC[C@H](CC(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)C(C)C ZINC001595037251 979205049 /nfs/dbraw/zinc/20/50/49/979205049.db2.gz VXEMKTUHLYMIPP-SNVBAGLBSA-N -2 0 331.390 2.163 20 0 EEADRL CC[C@H](CC(F)F)C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001595041930 979230107 /nfs/dbraw/zinc/23/01/07/979230107.db2.gz GSNYZOKYXLMOSN-SNVBAGLBSA-N -2 0 349.355 2.012 20 0 EEADRL CCC(CC)(CC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)C(=O)[O-] ZINC001595047712 979259618 /nfs/dbraw/zinc/25/96/18/979259618.db2.gz FKOKZWXEOAHBBE-QMMMGPOBSA-N -2 0 328.390 2.300 20 0 EEADRL CCC(CC)(C(=O)[O-])C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC001595047857 979261366 /nfs/dbraw/zinc/26/13/66/979261366.db2.gz MRWPJGPUGHTNGK-GFCCVEGCSA-N -2 0 339.363 2.076 20 0 EEADRL CCC(CC)CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC001595110072 979451774 /nfs/dbraw/zinc/45/17/74/979451774.db2.gz WDPUYIFQTMGOIU-UHFFFAOYSA-N -2 0 327.402 2.324 20 0 EEADRL CCC[C@](C)(CC)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001595542666 981404232 /nfs/dbraw/zinc/40/42/32/981404232.db2.gz XBLOTTSAVSFRLE-HNNXBMFYSA-N -2 0 327.402 2.406 20 0 EEADRL CCC[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001595586343 981531279 /nfs/dbraw/zinc/53/12/79/981531279.db2.gz WQAAVHCNUMNFNI-SNVBAGLBSA-N -2 0 331.390 2.245 20 0 EEADRL C[C@@H](C(=O)Nc1cccc2ccccc21)N(CCC(=O)[O-])CC(=O)[O-] ZINC001589445915 986817370 /nfs/dbraw/zinc/81/73/70/986817370.db2.gz ZNAKSXTZHTXUIJ-LBPRGKRZSA-N -2 0 344.367 2.028 20 0 EEADRL CC(C)(C(=O)[O-])C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001589588585 987384209 /nfs/dbraw/zinc/38/42/09/987384209.db2.gz BBGRTWGZEQEMMQ-CQSZACIVSA-N -2 0 343.379 2.310 20 0 EEADRL CC(C)(C(=O)[O-])n1cc(Nc2nc(Cl)c(C(=O)[O-])s2)cn1 ZINC001589670748 987664275 /nfs/dbraw/zinc/66/42/75/987664275.db2.gz BDSXJXZHAMWTBQ-UHFFFAOYSA-N -2 0 330.753 2.255 20 0 EEADRL CCc1ccc(C(=O)[N-]S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001597501060 988063183 /nfs/dbraw/zinc/06/31/83/988063183.db2.gz NUDWBZUJNHSYEO-UHFFFAOYSA-N -2 0 348.380 2.034 20 0 EEADRL CCc1noc(C)c1[N-]S(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001597745841 989113656 /nfs/dbraw/zinc/11/36/56/989113656.db2.gz KOBYLPLVWJVABO-UHFFFAOYSA-N -2 0 330.406 2.322 20 0 EEADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1csc2ccccc12)C(=O)[O-] ZINC001590799493 990630360 /nfs/dbraw/zinc/63/03/60/990630360.db2.gz YGJBKZDUIZMVCC-UHFFFAOYSA-N -2 0 341.410 2.072 20 0 EEADRL CC(C)(NC(=O)c1ccc2[n-]c(=S)oc2c1)c1cc(C(=O)[O-])on1 ZINC001590864180 990757442 /nfs/dbraw/zinc/75/74/42/990757442.db2.gz SGGNPQLLAWNAPK-UHFFFAOYSA-N -2 0 347.352 2.468 20 0 EEADRL CC1(C)CCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001593897196 996757451 /nfs/dbraw/zinc/75/74/51/996757451.db2.gz KFNIJSOUSZTRMH-CYBMUJFWSA-N -2 0 339.413 2.157 20 0 EEADRL CC1(C)CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001593905406 996787341 /nfs/dbraw/zinc/78/73/41/996787341.db2.gz UMZMRUSCMNZRIW-SECBINFHSA-N -2 0 345.442 2.468 20 0 EEADRL COCc1nc(NC(=O)c2cc(F)c([O-])c(F)c2)sc1C(=O)[O-] ZINC001599302048 997250462 /nfs/dbraw/zinc/25/04/62/997250462.db2.gz RFMQKUPBGZGFFV-UHFFFAOYSA-N -2 0 344.295 2.224 20 0 EEADRL C[C@]1(CS(=O)(=O)[N-]c2csnc2C(=O)[O-])CC1(Cl)Cl ZINC001594039453 997648569 /nfs/dbraw/zinc/64/85/69/997648569.db2.gz ODZRGTLEGCHSOP-MRVPVSSYSA-N -2 0 345.229 2.167 20 0 EEADRL COc1cc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)ccc1C(=O)[O-] ZINC001599460002 998254540 /nfs/dbraw/zinc/25/45/40/998254540.db2.gz RUSKZHNOLDQAFR-UHFFFAOYSA-N -2 0 347.352 2.071 20 0 EEADRL COc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)ccc1F ZINC001599460240 998260494 /nfs/dbraw/zinc/26/04/94/998260494.db2.gz VJELEGIGHRLOTJ-UHFFFAOYSA-N -2 0 331.346 2.395 20 0 EEADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)s1 ZINC001598990266 998730091 /nfs/dbraw/zinc/73/00/91/998730091.db2.gz BTNVBAHYLUGKEA-UHFFFAOYSA-N -2 0 347.395 2.095 20 0 EEADRL Cc1cc(C(=O)Nc2ccc(Cl)cc2F)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000072292840 216128926 /nfs/dbraw/zinc/12/89/26/216128926.db2.gz DKDTXIIXCSYFQU-UHFFFAOYSA-N -2 0 348.721 2.377 20 0 EEADRL O=C([O-])c1ccnc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000079705166 217248831 /nfs/dbraw/zinc/24/88/31/217248831.db2.gz ADZDOZHYWXSGNV-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL O=C([O-])c1ccncc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000079701352 217249108 /nfs/dbraw/zinc/24/91/08/217249108.db2.gz HYYWIGGTRKLCKD-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c1 ZINC000267485222 256063926 /nfs/dbraw/zinc/06/39/26/256063926.db2.gz VDZUDMVCBPIIRN-UHFFFAOYSA-N -2 0 341.364 2.177 20 0 EEADRL Cc1nc(-c2ccc(S(=O)(=O)N[C@H](C)CC(=O)[O-])s2)cs1 ZINC000270425774 256133769 /nfs/dbraw/zinc/13/37/69/256133769.db2.gz GSHAKZRRCNOIRN-SSDOTTSWSA-N -2 0 346.455 2.322 20 0 EEADRL CC[C@@H](CCC(=O)[O-])NS(=O)(=O)c1c(Cl)ccnc1Cl ZINC000297216156 294182706 /nfs/dbraw/zinc/18/27/06/294182706.db2.gz NUSQTCKYEZJSFF-ZETCQYMHSA-N -2 0 341.216 2.310 20 0 EEADRL CC(C)n1cnc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])c1 ZINC000548565234 318396005 /nfs/dbraw/zinc/39/60/05/318396005.db2.gz GTTSRXVQYZWARB-UHFFFAOYSA-N -2 0 327.337 2.102 20 0 EEADRL Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000045946467 462632722 /nfs/dbraw/zinc/63/27/22/462632722.db2.gz UOLKBGUJSITFDZ-UHFFFAOYSA-N -2 0 337.401 2.153 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1O ZINC000013464459 462892795 /nfs/dbraw/zinc/89/27/95/462892795.db2.gz YDRIUXNCJZOFMO-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cn(CC(C)C)cn2)cccc1C(=O)[O-] ZINC000170653911 463689894 /nfs/dbraw/zinc/68/98/94/463689894.db2.gz AUWDUQPZUOAIEO-UHFFFAOYSA-N -2 0 337.401 2.347 20 0 EEADRL CC(C)[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)C(=O)[O-] ZINC000263557169 464129169 /nfs/dbraw/zinc/12/91/69/464129169.db2.gz PCLCQWNVQWGOLW-SECBINFHSA-N -2 0 327.736 2.006 20 0 EEADRL CC(C)C[C@H]([N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(=O)[O-] ZINC000263566629 464131547 /nfs/dbraw/zinc/13/15/47/464131547.db2.gz WSYFMVNEPOHKPN-QMMMGPOBSA-N -2 0 343.298 2.021 20 0 EEADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000269949522 464136854 /nfs/dbraw/zinc/13/68/54/464136854.db2.gz ITYQCBHHWVZWHZ-UHFFFAOYSA-N -2 0 341.364 2.177 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)ccc1C(=O)[O-] ZINC000285191271 464482878 /nfs/dbraw/zinc/48/28/78/464482878.db2.gz VJKWKFAIXDZQDG-UHFFFAOYSA-N -2 0 335.385 2.027 20 0 EEADRL CC(C)n1cc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cn1 ZINC000356754509 465521875 /nfs/dbraw/zinc/52/18/75/465521875.db2.gz XQZWPPWFFLQHIG-UHFFFAOYSA-N -2 0 327.337 2.102 20 0 EEADRL Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000357083760 465756673 /nfs/dbraw/zinc/75/66/73/465756673.db2.gz QFAYPZHNTACEIM-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL COc1ncccc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000338122474 465834349 /nfs/dbraw/zinc/83/43/49/465834349.db2.gz CCMWVKGPQZQBLV-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)s1 ZINC000340230901 465903576 /nfs/dbraw/zinc/90/35/76/465903576.db2.gz KUZVCOUZOUKEGF-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000350281521 466446993 /nfs/dbraw/zinc/44/69/93/466446993.db2.gz YGNDDYXNYAKELY-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL CC(C)Oc1ncccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000316169925 466569213 /nfs/dbraw/zinc/56/92/13/466569213.db2.gz YNSJDOQAXURCHF-UHFFFAOYSA-N -2 0 342.398 2.429 20 0 EEADRL COc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC000318177343 466585829 /nfs/dbraw/zinc/58/58/29/466585829.db2.gz KFFZUGPJJSZKLF-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL Cc1c(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cccc1C(=O)[O-] ZINC000319538904 466596348 /nfs/dbraw/zinc/59/63/48/466596348.db2.gz BVNPYJKVDGQWHQ-UHFFFAOYSA-N -2 0 335.337 2.192 20 0 EEADRL CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000347403860 466614734 /nfs/dbraw/zinc/61/47/34/466614734.db2.gz UIIRMSFIAVSELL-UHFFFAOYSA-N -2 0 334.353 2.009 20 0 EEADRL COc1ccc(OC)c([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000321092737 466616497 /nfs/dbraw/zinc/61/64/97/466616497.db2.gz KLUXXJDAIAAILJ-UHFFFAOYSA-N -2 0 341.341 2.104 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000324778083 466649659 /nfs/dbraw/zinc/64/96/59/466649659.db2.gz FURCQTHYIMQMJZ-UHFFFAOYSA-N -2 0 349.364 2.121 20 0 EEADRL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1O ZINC000433842731 467357618 /nfs/dbraw/zinc/35/76/18/467357618.db2.gz QHDQDMXQMFNYLI-UHFFFAOYSA-N -2 0 341.316 2.044 20 0 EEADRL CC(C)Oc1c([N-]S(=O)(=O)c2cccn2C)cccc1C(=O)[O-] ZINC000414384641 467410700 /nfs/dbraw/zinc/41/07/00/467410700.db2.gz PVXUJDWWQLZHPG-UHFFFAOYSA-N -2 0 338.385 2.311 20 0 EEADRL Cc1cccc(OC[C@@H](C)NS(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000563075303 469162737 /nfs/dbraw/zinc/16/27/37/469162737.db2.gz QUZKTHCTGVCKTA-LLVKDONJSA-N -2 0 339.369 2.032 20 0 EEADRL Cc1cccc(OC[C@H](C)NS(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000563075306 469163180 /nfs/dbraw/zinc/16/31/80/469163180.db2.gz QUZKTHCTGVCKTA-NSHDSACASA-N -2 0 339.369 2.032 20 0 EEADRL C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653494622 471639554 /nfs/dbraw/zinc/63/95/54/471639554.db2.gz IFXNITBAAQMZHA-KXUCPTDWSA-N -2 0 347.383 2.379 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c(O)c1 ZINC000770635563 577600399 /nfs/dbraw/zinc/60/03/99/577600399.db2.gz SHIOYIBCZDCZMR-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000737732704 578268909 /nfs/dbraw/zinc/26/89/09/578268909.db2.gz DWFMAFVWFCKZEH-VIFPVBQESA-N -2 0 325.342 2.486 20 0 EEADRL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cnccc1C(=O)[O-] ZINC000387197051 600514719 /nfs/dbraw/zinc/51/47/19/600514719.db2.gz HZJLYEITVAKLMV-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])C1CCCC1 ZINC000826008811 601142089 /nfs/dbraw/zinc/14/20/89/601142089.db2.gz OIJYCJJDASUQON-MRVPVSSYSA-N -2 0 331.415 2.078 20 0 EEADRL CCOc1cccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)n1 ZINC000830104640 601362375 /nfs/dbraw/zinc/36/23/75/601362375.db2.gz KNYFVEOJFGEKSC-FLIBITNWSA-N -2 0 348.380 2.379 20 0 EEADRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)c1C(=O)[O-] ZINC000832991527 601501256 /nfs/dbraw/zinc/50/12/56/601501256.db2.gz MWFTXWSAUMBERX-UHFFFAOYSA-N -2 0 349.290 2.236 20 0 EEADRL CC(C)c1cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])n[nH]1 ZINC000827112739 601850649 /nfs/dbraw/zinc/85/06/49/601850649.db2.gz NVYWKJJMCUMAQV-UHFFFAOYSA-N -2 0 327.337 2.171 20 0 EEADRL CC(C)CCn1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])n1 ZINC000826865699 602201463 /nfs/dbraw/zinc/20/14/63/602201463.db2.gz SIJPHKZHRXYTFU-UHFFFAOYSA-N -2 0 337.401 2.428 20 0 EEADRL O=C([O-])c1cncc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000097895433 604889427 /nfs/dbraw/zinc/88/94/27/604889427.db2.gz XBFQSHXNLBGGDG-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL CCC[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[O-])c1nnn[n-]1 ZINC001411859264 1205558913 /nfs/dbraw/zinc/55/89/13/1205558913.db2.gz SSIUHFFSMYSXGV-SECBINFHSA-N -2 0 330.175 2.483 20 0 EEADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cccc(F)c2O)cc1 ZINC001192139163 1281840217 /nfs/dbraw/zinc/84/02/17/1281840217.db2.gz IPSURLIKVNVAGY-UHFFFAOYSA-N -2 0 339.344 2.349 20 0 EEADRL COc1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1OC ZINC001260182466 1319816497 /nfs/dbraw/zinc/81/64/97/1319816497.db2.gz DMPNSKOTAJTQCW-UHFFFAOYSA-N -2 0 337.353 2.203 20 0 EEADRL O=C([O-])c1cccc(NC(=O)Nc2cccc(Cc3nn[nH]n3)c2)c1 ZINC001608517327 1351708359 /nfs/dbraw/zinc/70/83/59/1351708359.db2.gz TVVAFRIEFGFLNW-UHFFFAOYSA-N -2 0 338.327 2.133 20 0 EEADRL O=C([O-])c1ncsc1S(=O)(=O)NCc1cccc(C(F)F)c1 ZINC001602583039 1350551092 /nfs/dbraw/zinc/55/10/92/1350551092.db2.gz LCMFFGCCOKVNNX-UHFFFAOYSA-N -2 0 348.352 2.257 20 0 EEADRL Cc1cnn(CC2CC2)c1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001607708241 1351543699 /nfs/dbraw/zinc/54/36/99/1351543699.db2.gz KJZNVWXBFCERPV-UHFFFAOYSA-N -2 0 339.373 2.002 20 0 EEADRL O=C([O-])c1nc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)cs1 ZINC001608995339 1351810565 /nfs/dbraw/zinc/81/05/65/1351810565.db2.gz RXLVTIIYJOROGZ-VIFPVBQESA-N -2 0 332.337 2.060 20 0 EEADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC001609639061 1352047989 /nfs/dbraw/zinc/04/79/89/1352047989.db2.gz QCPWUKJIRVHTNX-QSLWVIQJSA-N -2 0 345.461 2.148 20 0 EEADRL C[C@@H]1CCN(c2cc(C(F)(F)F)c(C(=O)[O-])cn2)C[C@@H]1C(=O)[O-] ZINC001609862342 1352105587 /nfs/dbraw/zinc/10/55/87/1352105587.db2.gz LXLKFRLPRYYYTQ-APPZFPTMSA-N -2 0 332.278 2.346 20 0 EEADRL CCC(CC)(CC(=O)Nc1cc2c(cc1C(=O)[O-])OCO2)C(=O)[O-] ZINC001609910767 1352117960 /nfs/dbraw/zinc/11/79/60/1352117960.db2.gz SPJCCENPMPHZAR-UHFFFAOYSA-N -2 0 337.328 2.333 20 0 EEADRL CCc1[nH]nc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1C ZINC001610056186 1352151525 /nfs/dbraw/zinc/15/15/25/1352151525.db2.gz HOJBBXHFPWREHZ-UHFFFAOYSA-N -2 0 343.792 2.433 20 0 EEADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)cc1O ZINC001610289297 1352200748 /nfs/dbraw/zinc/20/07/48/1352200748.db2.gz NBOSWKTYAURBSE-UHFFFAOYSA-N -2 0 341.316 2.039 20 0 EEADRL COc1cccc([C@H](CC(=O)[O-])[NH2+]Cc2cc(C(=O)[O-])n(C)c2)c1 ZINC001610355961 1352210055 /nfs/dbraw/zinc/21/00/55/1352210055.db2.gz ZPZBIZXPXBYUBQ-AWEZNQCLSA-N -2 0 332.356 2.038 20 0 EEADRL Cc1[nH]nc(S(=O)(=O)[N-]c2c(C)cccc2Cl)c1C(=O)[O-] ZINC001610522970 1352238149 /nfs/dbraw/zinc/23/81/49/1352238149.db2.gz IHRVQUSDDQGUQL-UHFFFAOYSA-N -2 0 329.765 2.179 20 0 EEADRL Cc1cnn(C)c1S(=O)(=O)[N-]c1ccc(C(C)C)cc1C(=O)[O-] ZINC001610541290 1352241598 /nfs/dbraw/zinc/24/15/98/1352241598.db2.gz BQJAYRVLFFGERL-UHFFFAOYSA-N -2 0 337.401 2.351 20 0 EEADRL Nc1c([N-]S(=O)(=O)c2ccc(F)cc2F)cccc1C(=O)[O-] ZINC001610649782 1352257480 /nfs/dbraw/zinc/25/74/80/1352257480.db2.gz VJDKLXCJQOCAQZ-UHFFFAOYSA-N -2 0 328.296 2.046 20 0 EEADRL O=C([O-])c1ccsc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC001610857956 1352286584 /nfs/dbraw/zinc/28/65/84/1352286584.db2.gz ZPYMDSBQZAOWLF-UHFFFAOYSA-N -2 0 341.395 2.252 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cnn1CC(=O)[O-] ZINC001600055049 1349962768 /nfs/dbraw/zinc/96/27/68/1349962768.db2.gz XFFCVBVUHUYWMF-UHFFFAOYSA-N -2 0 337.401 2.200 20 0 EEADRL Cc1cc(F)cc(C)c1C(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001600229550 1349997475 /nfs/dbraw/zinc/99/74/75/1349997475.db2.gz OHSPRPNLGPAZEH-HLZQHVJHSA-N -2 0 349.358 2.080 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cccc([C@@H](C)C(=O)[O-])c2)sn1 ZINC001600301220 1350014759 /nfs/dbraw/zinc/01/47/59/1350014759.db2.gz RPVPBJHWWORZBP-SECBINFHSA-N -2 0 326.399 2.440 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2nccc(C3CC3)n2)ccc1C(=O)[O-] ZINC001600301559 1350015400 /nfs/dbraw/zinc/01/54/00/1350015400.db2.gz QMCCNZOVPZENRD-UHFFFAOYSA-N -2 0 333.369 2.161 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccnn1C(C)(C)C ZINC001600365105 1350031188 /nfs/dbraw/zinc/03/11/88/1350031188.db2.gz YQXFYQWMZRJKPE-UHFFFAOYSA-N -2 0 337.401 2.446 20 0 EEADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)CC1CCCCCC1 ZINC001601253981 1350242575 /nfs/dbraw/zinc/24/25/75/1350242575.db2.gz NIVKHAABXZRFJW-UHFFFAOYSA-N -2 0 346.430 2.007 20 0 EEADRL O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001602171283 1350457031 /nfs/dbraw/zinc/45/70/31/1350457031.db2.gz QIPNHUIOCSOEKM-QMMMGPOBSA-N -2 0 339.216 2.345 20 0 EEADRL O=C([O-])c1cccc2[nH]c([N-]S(=O)(=O)c3ccc(F)cc3)nc21 ZINC001602454234 1350522937 /nfs/dbraw/zinc/52/29/37/1350522937.db2.gz LTKJOZRLQGCOQZ-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC001602586798 1350551824 /nfs/dbraw/zinc/55/18/24/1350551824.db2.gz JUUKYWZOFUISBP-UHFFFAOYSA-N -2 0 335.366 2.190 20 0 EEADRL CC(C)(C)c1ccc([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)nn1 ZINC001603540114 1350718001 /nfs/dbraw/zinc/71/80/01/1350718001.db2.gz KLLLIOXJASKLGK-UHFFFAOYSA-N -2 0 349.412 2.414 20 0 EEADRL C[C@@]1(C(=O)[O-])CCN(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C1 ZINC001604499123 1350949630 /nfs/dbraw/zinc/94/96/30/1350949630.db2.gz QIQAGKYUZXVTAU-MRXNPFEDSA-N -2 0 331.328 2.195 20 0 EEADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001604518623 1350953786 /nfs/dbraw/zinc/95/37/86/1350953786.db2.gz JHLYFVNNKSYWDY-YJYMSZOUSA-N -2 0 345.395 2.422 20 0 EEADRL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)C1 ZINC001604652696 1350977781 /nfs/dbraw/zinc/97/77/81/1350977781.db2.gz PYLIGNHRCOLQSQ-CMPLNLGQSA-N -2 0 349.387 2.025 20 0 EEADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c1C ZINC001604981929 1351045118 /nfs/dbraw/zinc/04/51/18/1351045118.db2.gz VZXBVZQPIFFEPQ-ZETCQYMHSA-N -2 0 344.418 2.118 20 0 EEADRL CC[C@H](CC(F)F)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001604983282 1351045531 /nfs/dbraw/zinc/04/55/31/1351045531.db2.gz IADFNNRCADWIKE-SNVBAGLBSA-N -2 0 349.355 2.012 20 0 EEADRL COCc1ccccc1S(=O)(=O)[N-]c1ccsc1C(=O)[O-] ZINC001606969130 1351387464 /nfs/dbraw/zinc/38/74/64/1351387464.db2.gz ZYHZSNNJGHFBSW-UHFFFAOYSA-N -2 0 327.383 2.394 20 0 EEADRL COc1cccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC001607350339 1351480657 /nfs/dbraw/zinc/48/06/57/1351480657.db2.gz WMDHRJUZLCOWDG-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)n[nH]c1C(C)C ZINC001607526355 1351511076 /nfs/dbraw/zinc/51/10/76/1351511076.db2.gz GWIXUEVRIKFDMO-UHFFFAOYSA-N -2 0 329.403 2.402 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)nnc1C ZINC001607696722 1351541584 /nfs/dbraw/zinc/54/15/84/1351541584.db2.gz CZBXCPLOLPUOJG-UHFFFAOYSA-N -2 0 339.348 2.040 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nonc2C2CC2)ccc1Cl ZINC001188281912 1368293748 /nfs/dbraw/zinc/29/37/48/1368293748.db2.gz AMUSRIAHXFNWSD-UHFFFAOYSA-N -2 0 343.748 2.099 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(C(F)F)cc1F ZINC000910184801 786516255 /nfs/dbraw/zinc/51/62/55/786516255.db2.gz WEXXUVGQWDRWSG-GZMMTYOYSA-N -2 0 345.273 2.153 20 0 EEADRL C/C(=C\C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1cccc(F)c1 ZINC000910190290 786522602 /nfs/dbraw/zinc/52/26/02/786522602.db2.gz VZMNBWIQFCIRTO-UNZKQPITSA-N -2 0 335.331 2.005 20 0 EEADRL CC1(C)CCC(CC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])CC1 ZINC000910192107 786523411 /nfs/dbraw/zinc/52/34/11/786523411.db2.gz MQGSGVUGNKKDIB-QWHCGFSZSA-N -2 0 325.405 2.369 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)Cc2csc3ccccc23)C1 ZINC000910192442 786524425 /nfs/dbraw/zinc/52/44/25/786524425.db2.gz QHHKVQMBRBZBGQ-MFKMUULPSA-N -2 0 347.392 2.220 20 0 EEADRL N#CNc1c2c(OP(=O)([O-])[O-])c[nH]c2ccc1Br ZINC001168627344 793987502 /nfs/dbraw/zinc/98/75/02/793987502.db2.gz DCZPPCQYFJONHU-UHFFFAOYSA-N -2 0 332.050 2.295 20 0 EEADRL CN1C(=O)NCc2c(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)cccc21 ZINC001176245022 798393006 /nfs/dbraw/zinc/39/30/06/798393006.db2.gz QHBQDIJAMRPTCZ-UHFFFAOYSA-N -2 0 341.323 2.486 20 0 EEADRL O=C(Cn1c2ccccc2c2ccccc21)NCCOP(=O)([O-])[O-] ZINC001180079894 800259151 /nfs/dbraw/zinc/25/91/51/800259151.db2.gz FWEQJJDIOFWIDE-UHFFFAOYSA-N -2 0 348.295 2.020 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cc(F)nc(F)c2)cc1C(=O)[O-] ZINC001184665053 802124507 /nfs/dbraw/zinc/12/45/07/802124507.db2.gz XMCXOUKOGJUCCC-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL Cc1ccccc1C(F)(F)C[N-]S(=O)(=O)[C@@H]1CCC[C@H]1C(=O)[O-] ZINC001465114833 804146093 /nfs/dbraw/zinc/14/60/93/804146093.db2.gz IFHBCAYZGMGRAB-DGCLKSJQSA-N -2 0 347.383 2.260 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccon2)c(Cl)cc1Cl ZINC000057497345 957552503 /nfs/dbraw/zinc/55/25/03/957552503.db2.gz UNVUEHTYMBDOKP-UHFFFAOYSA-N -2 0 337.140 2.480 20 0 EEADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cncc(C(=O)[O-])c2)c(F)c1 ZINC001594311043 958019399 /nfs/dbraw/zinc/01/93/99/958019399.db2.gz WOBBYJCQTFFXDX-UHFFFAOYSA-N -2 0 328.296 2.167 20 0 EEADRL C[C@@H](C(=O)[O-])N(C(=O)c1cc(Br)c(F)cc1[O-])C1CC1 ZINC001573376175 958655562 /nfs/dbraw/zinc/65/55/62/958655562.db2.gz VOPOIJXEARSDQW-LURJTMIESA-N -2 0 346.152 2.372 20 0 EEADRL CC(C)(CC(=O)[O-])NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC001588757652 961229181 /nfs/dbraw/zinc/22/91/81/961229181.db2.gz CVKKPTKPBJBQLA-UHFFFAOYSA-N -2 0 331.324 2.448 20 0 EEADRL CC(C)[C@H](NC(=O)c1cc(Br)cc(F)c1[O-])C(=O)[O-] ZINC001571216577 962511450 /nfs/dbraw/zinc/51/14/50/962511450.db2.gz YBXMJRRZTAGFRT-VIFPVBQESA-N -2 0 334.141 2.133 20 0 EEADRL Cc1cnc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)s1 ZINC000314235813 963729222 /nfs/dbraw/zinc/72/92/22/963729222.db2.gz DRFKUMAERYQBAK-UHFFFAOYSA-N -2 0 342.398 2.106 20 0 EEADRL O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(Cl)c([O-])c1 ZINC001605823749 972555606 /nfs/dbraw/zinc/55/56/06/972555606.db2.gz JRJLOQBIGMVHNB-ZDUSSCGKSA-N -2 0 335.743 2.177 20 0 EEADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2c[nH]c(C(F)(F)F)c2)c1 ZINC001606313239 973731770 /nfs/dbraw/zinc/73/17/70/973731770.db2.gz VRZRPDPHJAQYIC-UHFFFAOYSA-N -2 0 348.302 2.461 20 0 EEADRL CC(C)c1scnc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001592117118 976918468 /nfs/dbraw/zinc/91/84/68/976918468.db2.gz MCIYQTJHZIJYML-UHFFFAOYSA-N -2 0 333.416 2.222 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c(Cl)n1 ZINC000800839747 978847475 /nfs/dbraw/zinc/84/74/75/978847475.db2.gz NAHFVIPKSUQUED-UHFFFAOYSA-N -2 0 342.760 2.248 20 0 EEADRL C[C@@H]1CCC[C@@H](CC(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000828240520 978977071 /nfs/dbraw/zinc/97/70/71/978977071.db2.gz XBZMJNWBDNKPPO-NXEZZACHSA-N -2 0 345.442 2.468 20 0 EEADRL O=C([O-])CCc1nnc([N-]S(=O)(=O)c2cccc(Cl)c2)s1 ZINC000833241395 979126166 /nfs/dbraw/zinc/12/61/66/979126166.db2.gz BJEYFGYSYKFGKW-UHFFFAOYSA-N -2 0 347.805 2.010 20 0 EEADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cn2C)c1C ZINC001595026884 979138357 /nfs/dbraw/zinc/13/83/57/979138357.db2.gz MJJZGHYUBQJQLW-VIFPVBQESA-N -2 0 340.405 2.000 20 0 EEADRL C[C@@H]1CC(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)C[C@@H](C)C1 ZINC000833594567 979207327 /nfs/dbraw/zinc/20/73/27/979207327.db2.gz OFQCKWLVGGXVQQ-QWRGUYRKSA-N -2 0 339.413 2.262 20 0 EEADRL CCC(CC)(NS(=O)(=O)c1cnc(Cl)cc1Cl)C(=O)[O-] ZINC001595101771 979411380 /nfs/dbraw/zinc/41/13/80/979411380.db2.gz FCCGQEQXBOHLQG-UHFFFAOYSA-N -2 0 341.216 2.310 20 0 EEADRL CCC(CC)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001595105198 979420680 /nfs/dbraw/zinc/42/06/80/979420680.db2.gz DHNJBZNSWOOBCA-MRVPVSSYSA-N -2 0 333.431 2.324 20 0 EEADRL CCC[C@@H](C)CCNC(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001595573998 981489924 /nfs/dbraw/zinc/48/99/24/981489924.db2.gz NLNRECABVAYLED-QGXCKBJSSA-N -2 0 340.420 2.020 20 0 EEADRL CC[C@H](C)CCCCC(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001594959296 982705833 /nfs/dbraw/zinc/70/58/33/982705833.db2.gz QFWXQELYZZUGMK-VIFPVBQESA-N -2 0 348.446 2.253 20 0 EEADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)nc1C ZINC001597125925 986833621 /nfs/dbraw/zinc/83/36/21/986833621.db2.gz KRCCMLWUMXDWAX-UHFFFAOYSA-N -2 0 340.357 2.189 20 0 EEADRL CC(C)(C(=O)[O-])C(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC001589588669 987384945 /nfs/dbraw/zinc/38/49/45/987384945.db2.gz DVBNDPZIYSSHIC-UHFFFAOYSA-N -2 0 348.380 2.481 20 0 EEADRL CC(C)(C(=O)[O-])[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001589597778 987416789 /nfs/dbraw/zinc/41/67/89/987416789.db2.gz BNUKDROLBNUVHL-RDBSUJKOSA-N -2 0 333.384 2.456 20 0 EEADRL CC(C)(C(=O)[O-])n1ccc([N-]S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)n1 ZINC001589681106 987708830 /nfs/dbraw/zinc/70/88/30/987708830.db2.gz RNKVJZMMHZMPFA-QWHCGFSZSA-N -2 0 349.412 2.001 20 0 EEADRL CC(C)(C)C(F)(F)C[N-]S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001589712159 987844023 /nfs/dbraw/zinc/84/40/23/987844023.db2.gz QOEXWUDDRZGYHB-UHFFFAOYSA-N -2 0 327.393 2.232 20 0 EEADRL COc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC)c1 ZINC001599684651 990967575 /nfs/dbraw/zinc/96/75/75/990967575.db2.gz YUHHLYJQFXQVKI-UHFFFAOYSA-N -2 0 337.353 2.203 20 0 EEADRL COc1ccc(NC(=O)N2CCC(C)(C(=O)[O-])CC2)c(C(=O)[O-])c1 ZINC001599591889 993695130 /nfs/dbraw/zinc/69/51/30/993695130.db2.gz LXPFZIQKVSEILW-UHFFFAOYSA-N -2 0 336.344 2.112 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])c(F)c1 ZINC001599618092 994044893 /nfs/dbraw/zinc/04/48/93/994044893.db2.gz ZKXBVXMBWLGFLE-UHFFFAOYSA-N -2 0 331.346 2.395 20 0 EEADRL COCOc1ccc(CCC(=O)[O-])cc1NC(=O)c1ncccc1[O-] ZINC001599275580 998605063 /nfs/dbraw/zinc/60/50/63/998605063.db2.gz NNNSOLBMKGHAQS-UHFFFAOYSA-N -2 0 346.339 2.039 20 0 EEADRL C[C@@H]1CCC[C@H]1CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001594357771 999352472 /nfs/dbraw/zinc/35/24/72/999352472.db2.gz OTBHJGXVKPWYCB-RISCZKNCSA-N -2 0 339.413 2.157 20 0 EEADRL C[C@H]1CCN(C(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)C[C@@H]1C(=O)[O-] ZINC001594404029 999513549 /nfs/dbraw/zinc/51/35/49/999513549.db2.gz XONMZYDASHZSCV-CBAPKCEASA-N -2 0 342.298 2.238 20 0 EEADRL CCC(CC)(C(=O)[O-])C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001549134332 1121127188 /nfs/dbraw/zinc/12/71/88/1121127188.db2.gz KIPOFZMZEGRYCG-UONOGXRCSA-N -2 0 333.384 2.204 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2cccc3ccn(C)c32)cc1C(=O)[O-] ZINC000190853978 539636478 /nfs/dbraw/zinc/63/64/78/539636478.db2.gz UDIWQLLDUOKDIO-UHFFFAOYSA-N -2 0 347.396 2.499 20 0 EEADRL O=C([O-])CC[C@@H]1CCCCN1C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000263162546 304060004 /nfs/dbraw/zinc/06/00/04/304060004.db2.gz OXLKDDMCKJEBSK-ZDUSSCGKSA-N -2 0 343.383 2.437 20 0 EEADRL COc1cc(SC)ccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000446625460 242205321 /nfs/dbraw/zinc/20/53/21/242205321.db2.gz RORKOPBQGLSLMH-UHFFFAOYSA-N -2 0 342.398 2.244 20 0 EEADRL O=C([O-])c1cc(F)cc(S(=O)(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000350729567 140949195 /nfs/dbraw/zinc/94/91/95/140949195.db2.gz LPGNJKSIWFFCEL-UHFFFAOYSA-N -2 0 339.300 2.023 20 0 EEADRL CC(C)n1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)n1 ZINC000358884074 164007875 /nfs/dbraw/zinc/00/78/75/164007875.db2.gz VYICUMGWUJWBBW-UHFFFAOYSA-N -2 0 327.337 2.102 20 0 EEADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc2n(n1)CCCC2 ZINC000375646849 288535233 /nfs/dbraw/zinc/53/52/33/288535233.db2.gz LNXUAOFFQBLGQV-UHFFFAOYSA-N -2 0 349.412 2.281 20 0 EEADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCCC[C@H]2C(=O)[O-])n1 ZINC000159930640 301307711 /nfs/dbraw/zinc/30/77/11/301307711.db2.gz QAHZCARDKAKUCK-ZDUSSCGKSA-N -2 0 347.346 2.105 20 0 EEADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)Nc2cc(F)ccc2F)c1 ZINC000436892167 315010279 /nfs/dbraw/zinc/01/02/79/315010279.db2.gz IDXYMLIKKWRXJX-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL Cc1cccc(O)c1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000539816093 318064032 /nfs/dbraw/zinc/06/40/32/318064032.db2.gz SMCPOCJSSADOTJ-UHFFFAOYSA-N -2 0 326.312 2.011 20 0 EEADRL COc1cncc(S(=O)(=O)[N-]c2c(C)ccc(F)c2C(=O)[O-])c1 ZINC000541909697 318117760 /nfs/dbraw/zinc/11/77/60/318117760.db2.gz KDKLPCNEJOKFFE-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL Cc1nc(C)c(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])s1 ZINC000547586268 318301166 /nfs/dbraw/zinc/30/11/66/318301166.db2.gz UTQHZEJOWSZAGH-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL CCc1ncc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])s1 ZINC000548232004 318366654 /nfs/dbraw/zinc/36/66/54/318366654.db2.gz GBHOHDUYJKAITG-UHFFFAOYSA-N -2 0 330.362 2.344 20 0 EEADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000548591732 318397122 /nfs/dbraw/zinc/39/71/22/318397122.db2.gz MOPJXBRIDPDXLJ-GFCCVEGCSA-N -2 0 343.401 2.094 20 0 EEADRL C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000567638125 319400026 /nfs/dbraw/zinc/40/00/26/319400026.db2.gz NTVDUFVTACYLFW-MNOVXSKESA-N -2 0 347.346 2.042 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1c[nH]c2ncccc12 ZINC000336865279 465057887 /nfs/dbraw/zinc/05/78/87/465057887.db2.gz VZOQIILWBMLUQP-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-] ZINC000013464950 462892880 /nfs/dbraw/zinc/89/28/80/462892880.db2.gz BRSXKDWZFAKTJF-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL CC[C@H](C)c1ncc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cn1 ZINC000357085509 465757760 /nfs/dbraw/zinc/75/77/60/465757760.db2.gz KQRGQJBALSJXNO-NSHDSACASA-N -2 0 349.412 2.418 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2)c1F ZINC000313226099 466537850 /nfs/dbraw/zinc/53/78/50/466537850.db2.gz IESQPQGVQKGTTO-UHFFFAOYSA-N -2 0 333.348 2.115 20 0 EEADRL O=C([O-])CCC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2O)cc1 ZINC000433804490 467354618 /nfs/dbraw/zinc/35/46/18/467354618.db2.gz QPXNTWCFLKVLFZ-UHFFFAOYSA-N -2 0 349.364 2.241 20 0 EEADRL CC1(S(=O)(=O)[N-][C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)CC1 ZINC000563080471 469163808 /nfs/dbraw/zinc/16/38/08/469163808.db2.gz QHONWPKCKHHGEV-JTQLQIEISA-N -2 0 337.319 2.460 20 0 EEADRL CC(C)(CCC(=O)[O-])NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000663023432 472330978 /nfs/dbraw/zinc/33/09/78/472330978.db2.gz VNYKDQLRRVWSOU-UHFFFAOYSA-N -2 0 335.335 2.090 20 0 EEADRL CCc1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC000447000957 536170462 /nfs/dbraw/zinc/17/04/62/536170462.db2.gz OEZKATMVARKZQP-UHFFFAOYSA-N -2 0 341.776 2.191 20 0 EEADRL CSc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cn1 ZINC000738212770 578003239 /nfs/dbraw/zinc/00/32/39/578003239.db2.gz PGJSCBJOALIAHM-UHFFFAOYSA-N -2 0 330.412 2.364 20 0 EEADRL CSc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)cc1 ZINC000738212223 576735081 /nfs/dbraw/zinc/73/50/81/576735081.db2.gz LMMGAJCJXNPXAA-UHFFFAOYSA-N -2 0 344.439 2.293 20 0 EEADRL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]c2cncnc2)c1 ZINC000767046694 577529660 /nfs/dbraw/zinc/52/96/60/577529660.db2.gz MWBBYSUMMQIVPX-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL Cc1cn2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)ccc2n1 ZINC000738799464 578027212 /nfs/dbraw/zinc/02/72/12/578027212.db2.gz XKCFSACVJKAMHP-UHFFFAOYSA-N -2 0 349.343 2.281 20 0 EEADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)on1 ZINC000736294229 578193562 /nfs/dbraw/zinc/19/35/62/578193562.db2.gz LOQXNKQILFVNTQ-UHFFFAOYSA-N -2 0 338.385 2.400 20 0 EEADRL CCn1cc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)cn1 ZINC000737303345 578249290 /nfs/dbraw/zinc/24/92/90/578249290.db2.gz XBHGRRBHAHQMRW-UHFFFAOYSA-N -2 0 329.765 2.055 20 0 EEADRL CC(=O)c1cccc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])c1 ZINC000035306514 599873073 /nfs/dbraw/zinc/87/30/73/599873073.db2.gz OLDBACBNSXEKMX-UHFFFAOYSA-N -2 0 325.367 2.450 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)cs1 ZINC000320916826 600981697 /nfs/dbraw/zinc/98/16/97/600981697.db2.gz WUWOPLXWAUNDMM-UHFFFAOYSA-N -2 0 349.393 2.433 20 0 EEADRL CCc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)s1 ZINC000830299275 600985273 /nfs/dbraw/zinc/98/52/73/600985273.db2.gz NCBLBGAELSFRGN-UHFFFAOYSA-N -2 0 330.362 2.344 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])cc1C(=O)[O-] ZINC000832952992 601232939 /nfs/dbraw/zinc/23/29/39/601232939.db2.gz RYYNHYZZGNXXHB-UHFFFAOYSA-N -3 0 339.325 2.094 20 0 EEADRL Cn1cnc2cc([N-]S(=O)(=O)c3cc(F)ccc3C(=O)[O-])ccc21 ZINC000833059280 601340117 /nfs/dbraw/zinc/34/01/17/601340117.db2.gz ZGJRREJHTCOYGU-UHFFFAOYSA-N -2 0 349.343 2.211 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000035426781 601357444 /nfs/dbraw/zinc/35/74/44/601357444.db2.gz MEOIJZYEYXTDQW-UHFFFAOYSA-N -2 0 328.327 2.155 20 0 EEADRL CC(C)c1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)s1 ZINC000827168645 601503321 /nfs/dbraw/zinc/50/33/21/601503321.db2.gz QFJBQDARXLBXRC-UHFFFAOYSA-N -2 0 333.416 2.222 20 0 EEADRL CC(C)c1nnc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)s1 ZINC000827168555 601503357 /nfs/dbraw/zinc/50/33/57/601503357.db2.gz MGAXEFVVAJTERT-UHFFFAOYSA-N -2 0 345.377 2.300 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])c(C)n1 ZINC000832413235 601851799 /nfs/dbraw/zinc/85/17/99/601851799.db2.gz LEKKIICTBPJGSG-UHFFFAOYSA-N -2 0 340.357 2.107 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)n[nH]c1C1CC1 ZINC000832853908 602103614 /nfs/dbraw/zinc/10/36/14/602103614.db2.gz XOOPHIYERIGSOQ-UHFFFAOYSA-N -2 0 327.387 2.156 20 0 EEADRL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1csnc1C(=O)[O-] ZINC000833012661 602155644 /nfs/dbraw/zinc/15/56/44/602155644.db2.gz CFZPOROJDBGXHN-UHFFFAOYSA-N -2 0 344.418 2.036 20 0 EEADRL O=C([O-])COc1cccc(C(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000821534970 604506446 /nfs/dbraw/zinc/50/64/46/604506446.db2.gz FJDNFEYYZSYATR-UHFFFAOYSA-N -2 0 329.308 2.029 20 0 EEADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CCC[C@@H]2CC(=O)[O-])n1 ZINC000832889487 604670917 /nfs/dbraw/zinc/67/09/17/604670917.db2.gz HGUBYGRFKGVMBM-GFCCVEGCSA-N -2 0 347.346 2.105 20 0 EEADRL CCC(CC)CS(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000828858877 604882905 /nfs/dbraw/zinc/88/29/05/604882905.db2.gz DOEQNDWYBHARBI-UHFFFAOYSA-N -2 0 331.365 2.020 20 0 EEADRL CC(C)N(CCC(=O)[O-])C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000833496908 605527068 /nfs/dbraw/zinc/52/70/68/605527068.db2.gz MMPMHTJCANQYSE-UHFFFAOYSA-N -2 0 335.335 2.042 20 0 EEADRL CCC[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[O-])c1nnn[n-]1 ZINC001411859349 1205559003 /nfs/dbraw/zinc/55/90/03/1205559003.db2.gz SSIUHFFSMYSXGV-VIFPVBQESA-N -2 0 330.175 2.483 20 0 EEADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2nonc2C2CC2)c1 ZINC001187553271 1279580530 /nfs/dbraw/zinc/58/05/30/1279580530.db2.gz MEUIJCJHROWLQB-UHFFFAOYSA-N -2 0 343.748 2.099 20 0 EEADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cnc3ccccn23)cc1 ZINC001192109428 1281803036 /nfs/dbraw/zinc/80/30/36/1281803036.db2.gz CVMMZMZQOZZIKT-UHFFFAOYSA-N -2 0 345.380 2.152 20 0 EEADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cn(C3CCC3)cn2)cc1 ZINC001192113160 1281803805 /nfs/dbraw/zinc/80/38/05/1281803805.db2.gz JYEXOGKIIPRLQS-UHFFFAOYSA-N -2 0 349.412 2.426 20 0 EEADRL O=[P@@]([O-])(O)CCCCNC(=S)NCc1ccccc1Cl ZINC001196843520 1284286345 /nfs/dbraw/zinc/28/63/45/1284286345.db2.gz AIDNUOXNJNJARJ-UHFFFAOYSA-N -2 0 336.781 2.262 20 0 EEADRL COC(=O)c1ccsc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198738606 1285312063 /nfs/dbraw/zinc/31/20/63/1285312063.db2.gz AZJOXNHPEDIITG-UHFFFAOYSA-N -2 0 341.366 2.034 20 0 EEADRL Cc1cnn(C2CCC2)c1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198747140 1285317210 /nfs/dbraw/zinc/31/72/10/1285317210.db2.gz SKBNSMSKYSCWOY-UHFFFAOYSA-N -2 0 335.385 2.416 20 0 EEADRL CCOC(=O)c1nonc1[N-]c1cc(C(=O)[O-])c(Cl)cc1F ZINC001214736472 1296579277 /nfs/dbraw/zinc/57/92/77/1296579277.db2.gz WJYLRFMSWVCOBJ-UHFFFAOYSA-N -2 0 329.671 2.481 20 0 EEADRL O=c1nc(O[C@H](COc2ccccc2)c2ccccc2)[nH]c(=O)[n-]1 ZINC001227569660 1301893309 /nfs/dbraw/zinc/89/33/09/1301893309.db2.gz DSMFYLZUUMIEHT-CQSZACIVSA-N -2 0 325.324 2.482 20 0 EEADRL CON(C)C(=O)Cc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001242161202 1309622672 /nfs/dbraw/zinc/62/26/72/1309622672.db2.gz QKOLEBOUKNVBBK-UHFFFAOYSA-N -2 0 343.335 2.312 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(OCC(F)(F)F)nn2)c1 ZINC001242161386 1309624079 /nfs/dbraw/zinc/62/40/79/1309624079.db2.gz YOHPCBVXFIQWSA-UHFFFAOYSA-N -2 0 342.229 2.481 20 0 EEADRL O=C1[N-]S(=O)(=O)c2cccc(-c3cc([O-])c(F)c(F)c3F)c2N1 ZINC001245638318 1310148183 /nfs/dbraw/zinc/14/81/83/1310148183.db2.gz FUELRYHGAVVTAY-UHFFFAOYSA-N -2 0 344.270 2.300 20 0 EEADRL CC(C)(C)OC(=O)N[C@@H](CCCn1cc(C2=CC=C[CH]2)nn1)C(=O)[O-] ZINC001254084481 1317998235 /nfs/dbraw/zinc/99/82/35/1317998235.db2.gz GOUTYVJTBUEPJK-ZDUSSCGKSA-N -2 0 347.395 2.194 20 0 EEADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cc(F)cc(F)c2O)c1 ZINC001260216320 1319834014 /nfs/dbraw/zinc/83/40/14/1319834014.db2.gz CEZFCNFUPPAYCL-UHFFFAOYSA-N -2 0 347.270 2.309 20 0 EEADRL COc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)ccc1[S-] ZINC001260228324 1319840033 /nfs/dbraw/zinc/84/00/33/1319840033.db2.gz AORXWYCVLKZDLJ-UHFFFAOYSA-N -2 0 339.394 2.483 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)oc1Cl ZINC001602294565 1350487259 /nfs/dbraw/zinc/48/72/59/1350487259.db2.gz KRYZAVUPPNNVQN-ZCFIWIBFSA-N -2 0 329.708 2.097 20 0 EEADRL CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001605255000 1351117224 /nfs/dbraw/zinc/11/72/24/1351117224.db2.gz LCHUQCQQMARQOG-JTQLQIEISA-N -2 0 331.390 2.389 20 0 EEADRL O=C([O-])CCN(CC(=O)[O-])Cc1csc(-c2cccs2)n1 ZINC001608720924 1351749178 /nfs/dbraw/zinc/74/91/78/1351749178.db2.gz MNOVJPMMSWXEPH-UHFFFAOYSA-N -2 0 326.399 2.233 20 0 EEADRL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccnn2C2CCC2)c1 ZINC001608787657 1351763431 /nfs/dbraw/zinc/76/34/31/1351763431.db2.gz CDHDUHCVGQIEOV-UHFFFAOYSA-N -2 0 335.385 2.036 20 0 EEADRL O=C([O-])[C@@H]1CN(C(=O)c2c([O-])cccc2F)C[C@H]1c1ccccc1 ZINC001608807925 1351768204 /nfs/dbraw/zinc/76/82/04/1351768204.db2.gz YIJRHHMPRCMHFB-QWHCGFSZSA-N -2 0 329.327 2.472 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)Oc2ccc(C3CC3)cc2Cl)[n-]n1 ZINC001608862996 1351780773 /nfs/dbraw/zinc/78/07/73/1351780773.db2.gz MJJFPRNHGJNPGV-UHFFFAOYSA-N -2 0 342.760 2.406 20 0 EEADRL O=C([O-])c1ncc([N-]S(=O)(=O)c2cccnc2Cl)cc1Cl ZINC001608997870 1351811061 /nfs/dbraw/zinc/81/10/61/1351811061.db2.gz QVCZPZHFRYXMJY-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001609216470 1351896948 /nfs/dbraw/zinc/89/69/48/1351896948.db2.gz LJXYREAFRGWQPU-UHFFFAOYSA-N -2 0 349.372 2.049 20 0 EEADRL CC(C)(C(=O)[O-])c1csc([N-]S(=O)(=O)c2ccccc2F)n1 ZINC001609652240 1352050640 /nfs/dbraw/zinc/05/06/40/1352050640.db2.gz OBAUNZTWNCZXOB-UHFFFAOYSA-N -2 0 344.389 2.445 20 0 EEADRL C[C@@H](NC(=O)C[C@@H](C(=O)[O-])c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001609758706 1352077839 /nfs/dbraw/zinc/07/78/39/1352077839.db2.gz BWUALDIPMVEDSP-MWLCHTKSSA-N -2 0 348.380 2.277 20 0 EEADRL C[C@@H](NC(=O)CC1(CC(=O)[O-])CCCC1)c1ncc(C(=O)[O-])s1 ZINC001609761095 1352078157 /nfs/dbraw/zinc/07/81/57/1352078157.db2.gz DNABNRYTNYTMMX-SECBINFHSA-N -2 0 340.401 2.444 20 0 EEADRL C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CC=CCC1 ZINC001609810389 1352090928 /nfs/dbraw/zinc/09/09/28/1352090928.db2.gz KZLMZUQLQWVXNJ-MRXNPFEDSA-N -2 0 337.397 2.077 20 0 EEADRL CCC(CC)(NC(=O)c1nn(-c2ccccc2F)cc1[O-])C(=O)[O-] ZINC001609916146 1352119286 /nfs/dbraw/zinc/11/92/86/1352119286.db2.gz VJWAPSMIVRGBJW-UHFFFAOYSA-N -2 0 335.335 2.090 20 0 EEADRL COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])nc1 ZINC001610276060 1352198379 /nfs/dbraw/zinc/19/83/79/1352198379.db2.gz VPWFFMWWKZHGJQ-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL Cc1cc(C(=O)[O-])cc(Cl)c1NC(=O)C(=O)[N-]OCCC1CC1 ZINC001610440168 1352222560 /nfs/dbraw/zinc/22/25/60/1352222560.db2.gz NNSZTYRBAVHHCL-UHFFFAOYSA-N -2 0 340.763 2.133 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cnn1CC(=O)[O-] ZINC001610452109 1352224587 /nfs/dbraw/zinc/22/45/87/1352224587.db2.gz ATZXYONJFZMULH-UHFFFAOYSA-N -2 0 337.401 2.002 20 0 EEADRL Cc1ccc(C2CC2)c(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1 ZINC001610497103 1352233451 /nfs/dbraw/zinc/23/34/51/1352233451.db2.gz IMPOIYVQUWWXPO-UHFFFAOYSA-N -2 0 339.413 2.043 20 0 EEADRL Cc1[nH]c(C([O-])=CS(=O)(=O)c2cccc(C)c2)c(C)c1C(=O)[O-] ZINC001610525027 1352238632 /nfs/dbraw/zinc/23/86/32/1352238632.db2.gz NROZXJYJRDYMGQ-UHFFFAOYSA-N -2 0 335.381 2.295 20 0 EEADRL O=C([O-])CCCC(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC001610767041 1352271314 /nfs/dbraw/zinc/27/13/14/1352271314.db2.gz VBRDRGVVFIFRLW-OAHLLOKOSA-N -2 0 343.379 2.454 20 0 EEADRL O=C([O-])c1ncc([N-]S(=O)(=O)c2ccc(F)cc2)cc1Cl ZINC001610869936 1352288290 /nfs/dbraw/zinc/28/82/90/1352288290.db2.gz OOZWTVABEOPRTL-UHFFFAOYSA-N -2 0 330.724 2.373 20 0 EEADRL Cc1ccc(NS(=O)(=O)CC2(C(=O)[O-])CCCC2)cc1C(=O)[O-] ZINC001600463664 1350057902 /nfs/dbraw/zinc/05/79/02/1350057902.db2.gz FHOANOGVYFAHAO-UHFFFAOYSA-N -2 0 341.385 2.080 20 0 EEADRL O=C([O-])[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccc(O)cc1 ZINC001601396101 1350273609 /nfs/dbraw/zinc/27/36/09/1350273609.db2.gz RAWNMNUZVMJFAR-GFCCVEGCSA-N -2 0 339.706 2.446 20 0 EEADRL O=C([O-])c1ccc(NC(=O)C(=O)[N-]OCc2ccccc2)cc1Cl ZINC001601562768 1350307448 /nfs/dbraw/zinc/30/74/48/1350307448.db2.gz GJGFJASCBGQZLE-UHFFFAOYSA-N -2 0 348.742 2.225 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1cc(F)cc(Cl)c1 ZINC001601792114 1350365221 /nfs/dbraw/zinc/36/52/21/1350365221.db2.gz GBTXHSUUTAQEQT-WRWORJQWSA-N -2 0 344.726 2.261 20 0 EEADRL O=C([O-])[C@H]1CCN(C(=O)Nc2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001601824270 1350373004 /nfs/dbraw/zinc/37/30/04/1350373004.db2.gz SCKWDFWHHAECQH-KWQFWETISA-N -2 0 326.736 2.122 20 0 EEADRL O=C([O-])[C@@H]1Cc2ccc(O)cc2CN1C(=O)c1ccc([O-])c(Cl)c1 ZINC001601865629 1350384583 /nfs/dbraw/zinc/38/45/83/1350384583.db2.gz MDIGRGVQPZNLTC-AWEZNQCLSA-N -2 0 347.754 2.403 20 0 EEADRL O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2O)cc1 ZINC001601884194 1350390389 /nfs/dbraw/zinc/39/03/89/1350390389.db2.gz INDSDMJKBULOHP-FPYGCLRLSA-N -2 0 337.328 2.430 20 0 EEADRL O=C([O-])c1cccc(CCNC(=O)c2s[n-]c(=O)c2Cl)c1 ZINC001602435942 1350519414 /nfs/dbraw/zinc/51/94/14/1350519414.db2.gz VGNVSZMWCHSBRE-UHFFFAOYSA-N -2 0 326.761 2.173 20 0 EEADRL O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)C2CCCCCC2)c1 ZINC001602438946 1350520079 /nfs/dbraw/zinc/52/00/79/1350520079.db2.gz DWQOEIVPXWLPSO-UHFFFAOYSA-N -2 0 339.413 2.301 20 0 EEADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC001602598501 1350554120 /nfs/dbraw/zinc/55/41/20/1350554120.db2.gz MWUDALYZLISWTG-UHFFFAOYSA-N -2 0 345.329 2.084 20 0 EEADRL C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001604125124 1350865883 /nfs/dbraw/zinc/86/58/83/1350865883.db2.gz JBLILCQJBDVLFQ-BYPYZUCNSA-N -2 0 335.687 2.250 20 0 EEADRL CC[C@@H]1CCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001605163291 1351092556 /nfs/dbraw/zinc/09/25/56/1351092556.db2.gz KESYMVCRSSHZDH-OCCSQVGLSA-N -2 0 339.413 2.157 20 0 EEADRL CCn1ncc(C)c1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC001605940764 1351256804 /nfs/dbraw/zinc/25/68/04/1351256804.db2.gz FVTMJQDGJHXKAJ-RMKNXTFCSA-N -2 0 335.385 2.110 20 0 EEADRL CN(CCC(=O)[O-])C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001606104586 1351271808 /nfs/dbraw/zinc/27/18/08/1351271808.db2.gz FWIJXEGBVOALBP-UHFFFAOYSA-N -2 0 340.401 2.333 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)nn1[C@H](C)C1CC1 ZINC001607696943 1351541675 /nfs/dbraw/zinc/54/16/75/1351541675.db2.gz RQVXKFHGDPRVLZ-SECBINFHSA-N -2 0 339.373 2.255 20 0 EEADRL O=C([O-])C[C@H]1CCCN(C(=O)c2nn(-c3ccccc3)cc2[O-])CC1 ZINC000794207269 1367715233 /nfs/dbraw/zinc/71/52/33/1367715233.db2.gz ALABYXJHMGNRKM-ZDUSSCGKSA-N -2 0 343.383 2.295 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2ccc(F)c(OC)n2)ccc1[S-] ZINC001190104433 1368392780 /nfs/dbraw/zinc/39/27/80/1368392780.db2.gz HLTPHABAYMAPFU-UHFFFAOYSA-N -2 0 344.389 2.327 20 0 EEADRL Cc1ccc(CCCC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])s1 ZINC000910190767 786522890 /nfs/dbraw/zinc/52/28/90/786522890.db2.gz DMTVZXZRZLJHHK-YPMHNXCESA-N -2 0 339.413 2.156 20 0 EEADRL CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1cc(C(C)=O)ccc1[O-] ZINC000844660542 789284263 /nfs/dbraw/zinc/28/42/63/789284263.db2.gz RCCYLBMGYHVFOL-AWEZNQCLSA-N -2 0 343.401 2.068 20 0 EEADRL CCOC(=O)C1=C(Nc2ccc(P(=O)([O-])[O-])cc2)CCCC1 ZINC001168564362 790016760 /nfs/dbraw/zinc/01/67/60/790016760.db2.gz MUMLLFYUBYFUHD-UHFFFAOYSA-N -2 0 325.301 2.293 20 0 EEADRL Cc1nn(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c2cc(N)cc(F)c12 ZINC001176241913 798392352 /nfs/dbraw/zinc/39/23/52/798392352.db2.gz DTLLAFCJMIYLQV-UHFFFAOYSA-N -2 0 329.287 2.452 20 0 EEADRL O=C([O-])c1cc(Nc2cccc3c2OCC(=O)N3)cc(C(=O)[O-])c1 ZINC001176241753 798392545 /nfs/dbraw/zinc/39/25/45/798392545.db2.gz VRLSPDJDRLSGTL-UHFFFAOYSA-N -2 0 328.280 2.158 20 0 EEADRL CNC(=O)Cc1ccccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176244925 798393279 /nfs/dbraw/zinc/39/32/79/798393279.db2.gz UZNWATIULCHACA-UHFFFAOYSA-N -2 0 328.324 2.115 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)Nc2ccc(C#N)cc2F)c1C(=O)[O-] ZINC000322391038 970881442 /nfs/dbraw/zinc/88/14/42/970881442.db2.gz QGBLPMGJDMSEPW-UHFFFAOYSA-N -2 0 338.316 2.406 20 0 EEADRL N#Cc1ccccc1S(=O)(=O)[N-]c1cccc(CCC(=O)[O-])c1 ZINC000322870473 970937914 /nfs/dbraw/zinc/93/79/14/970937914.db2.gz XWOGTVOMWDWCJM-UHFFFAOYSA-N -2 0 330.365 2.376 20 0 EEADRL O=C([O-])c1cnc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cn1 ZINC001595266028 949745055 /nfs/dbraw/zinc/74/50/55/949745055.db2.gz AKGWXPAKZJXITI-UHFFFAOYSA-N -2 0 328.111 2.440 20 0 EEADRL CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000863962375 955927627 /nfs/dbraw/zinc/92/76/27/955927627.db2.gz JDNWQPZYKNRASA-RDBSUJKOSA-N -2 0 339.413 2.085 20 0 EEADRL COc1cc(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000389552427 972232257 /nfs/dbraw/zinc/23/22/57/972232257.db2.gz PMNDDTLVXLDNRC-UHFFFAOYSA-N -2 0 329.305 2.235 20 0 EEADRL CC(C)(CC(=O)[O-])NC(=O)c1cc(Br)cc(F)c1[O-] ZINC001573467723 958941468 /nfs/dbraw/zinc/94/14/68/958941468.db2.gz QYFMCTJRKOYIFM-UHFFFAOYSA-N -2 0 334.141 2.277 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cccc2c1OCC[C@H]2O ZINC001198782472 960586622 /nfs/dbraw/zinc/58/66/22/960586622.db2.gz JUXWVVDODBVSBI-CYBMUJFWSA-N -2 0 349.364 2.002 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)no1 ZINC001259212200 960660746 /nfs/dbraw/zinc/66/07/46/960660746.db2.gz IQVLBWPCDHBXLE-UHFFFAOYSA-N -2 0 334.712 2.275 20 0 EEADRL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc(OC)c1 ZINC000314514106 963763797 /nfs/dbraw/zinc/76/37/97/963763797.db2.gz WVVFFYOPAOOCOP-UHFFFAOYSA-N -2 0 343.382 2.264 20 0 EEADRL Cc1nc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])oc3C)ccc2[nH]1 ZINC000321064903 970739538 /nfs/dbraw/zinc/73/95/38/970739538.db2.gz DVMIRYXDXLBDIP-UHFFFAOYSA-N -2 0 335.341 2.272 20 0 EEADRL C[C@H]1CCC[C@@H](CC(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000828238552 978977024 /nfs/dbraw/zinc/97/70/24/978977024.db2.gz JVYXNMAVPDIITN-VHSXEESVSA-N -2 0 345.442 2.468 20 0 EEADRL CC[C@@](NC(=O)c1ccc2oc(=O)nc-2[n-]1)(C(=O)[O-])c1ccccc1 ZINC001595270723 980286951 /nfs/dbraw/zinc/28/69/51/980286951.db2.gz OLHLTIFELJRTAP-KRWDZBQOSA-N -2 0 341.323 2.048 20 0 EEADRL CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001595974077 983198821 /nfs/dbraw/zinc/19/88/21/983198821.db2.gz LGKGORSDMAGLBD-UHFFFAOYSA-N -2 0 336.369 2.369 20 0 EEADRL C[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)CC[C@H]1C(=O)[O-] ZINC001594478989 985509703 /nfs/dbraw/zinc/50/97/03/985509703.db2.gz FJOZFAYGWIFVII-CMPLNLGQSA-N -2 0 349.387 2.025 20 0 EEADRL CC(C)(C)C[C@H](CC(=O)[O-])NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC001589741660 988014165 /nfs/dbraw/zinc/01/41/65/988014165.db2.gz BMEXMZNPEJKLSY-VIFPVBQESA-N -2 0 349.430 2.004 20 0 EEADRL CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])nn1 ZINC001590515344 990125161 /nfs/dbraw/zinc/12/51/61/990125161.db2.gz GBWZMDWYMJJKGJ-UHFFFAOYSA-N -2 0 335.385 2.273 20 0 EEADRL CC(C)(C)c1ccnc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)n1 ZINC001590515622 990129056 /nfs/dbraw/zinc/12/90/56/990129056.db2.gz VZKLSZJRCYFFRX-UHFFFAOYSA-N -2 0 349.412 2.202 20 0 EEADRL CC(C)([N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)C(F)(F)F ZINC001590879305 990792635 /nfs/dbraw/zinc/79/26/35/990792635.db2.gz WKPBLOZCEZGVAM-UHFFFAOYSA-N -2 0 347.261 2.282 20 0 EEADRL CC(C)[C@H](C(=O)[O-])C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC001590956564 991027626 /nfs/dbraw/zinc/02/76/26/991027626.db2.gz GRODFIBOOCNWFP-JTQLQIEISA-N -2 0 337.357 2.132 20 0 EEADRL CC(C)C[C@@H](C)CC(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001591133644 991833465 /nfs/dbraw/zinc/83/34/65/991833465.db2.gz JLCQULLAMQMPMH-LLVKDONJSA-N -2 0 342.417 2.230 20 0 EEADRL CN(Cc1ccc(C(=O)[O-])cn1)C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC001598516704 992624008 /nfs/dbraw/zinc/62/40/08/992624008.db2.gz KQYZDHNNECJINR-UHFFFAOYSA-N -2 0 343.364 2.482 20 0 EEADRL C[C@]1(C(=O)[N-]OCCCC(=O)[O-])CC(c2ccccc2Cl)=NO1 ZINC001593755025 996401988 /nfs/dbraw/zinc/40/19/88/996401988.db2.gz KKJZFZVEECOTSK-OAHLLOKOSA-N -2 0 340.763 2.136 20 0 EEADRL C[C@]1(C(=O)[O-])CCCN(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)C1 ZINC001593768637 996454670 /nfs/dbraw/zinc/45/46/70/996454670.db2.gz ODJUXQLDXJZTCX-LBTNJELSSA-N -2 0 346.383 2.196 20 0 EEADRL COc1ccc([C@@H]([N-]C(=O)C(F)(F)C(F)F)C(=O)[O-])cc1Cl ZINC001599521595 997490397 /nfs/dbraw/zinc/49/03/97/997490397.db2.gz XDPBGKRQKUAGLI-MRVPVSSYSA-N -2 0 343.660 2.491 20 0 EEADRL CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1 ZINC001599041083 999118325 /nfs/dbraw/zinc/11/83/25/999118325.db2.gz JQRZWGRXHTUZLM-VIFPVBQESA-N -2 0 325.342 2.486 20 0 EEADRL CCn1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1C ZINC000266073443 248078985 /nfs/dbraw/zinc/07/89/85/248078985.db2.gz YKNARGOUUYKGTC-UHFFFAOYSA-N -2 0 329.403 2.080 20 0 EEADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-] ZINC000355781366 163299894 /nfs/dbraw/zinc/29/98/94/163299894.db2.gz BXTBCIQGCXDOPE-UHFFFAOYSA-N -2 0 329.765 2.179 20 0 EEADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1OCO2 ZINC000359856839 164186608 /nfs/dbraw/zinc/18/66/08/164186608.db2.gz NETWIXSMJUYGLM-UHFFFAOYSA-N -2 0 349.364 2.477 20 0 EEADRL CC[C@@H](C)N(CC(=O)[O-])C(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC000237070391 274087279 /nfs/dbraw/zinc/08/72/79/274087279.db2.gz YTDYQSAXGSHHKP-LLVKDONJSA-N -2 0 349.362 2.351 20 0 EEADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CCCc3ccccc32)c1 ZINC000436994789 315021522 /nfs/dbraw/zinc/02/15/22/315021522.db2.gz FYBDLSBVOHDSDW-UHFFFAOYSA-N -2 0 333.365 2.232 20 0 EEADRL N#CCc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000193357619 463708125 /nfs/dbraw/zinc/70/81/25/463708125.db2.gz OPJVEANJXHIRIK-UHFFFAOYSA-N -2 0 334.328 2.391 20 0 EEADRL COc1ccc([N-]S(=O)(=O)c2cc(C)oc2C)c(C(=O)[O-])c1 ZINC000349107156 465972404 /nfs/dbraw/zinc/97/24/04/465972404.db2.gz KKBKJHXJZBKYPC-UHFFFAOYSA-N -2 0 325.342 2.404 20 0 EEADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000350297921 466452283 /nfs/dbraw/zinc/45/22/83/466452283.db2.gz AHCBCIBAYHSXAN-UHFFFAOYSA-N -2 0 331.346 2.395 20 0 EEADRL Cc1csc(CNS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)n1 ZINC000314806128 466554368 /nfs/dbraw/zinc/55/43/68/466554368.db2.gz UCIQDRCCGVMNCO-UHFFFAOYSA-N -2 0 340.426 2.245 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000347399820 466612321 /nfs/dbraw/zinc/61/23/21/466612321.db2.gz FSWDTDAJMVORMR-UHFFFAOYSA-N -2 0 348.380 2.317 20 0 EEADRL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)C(=O)[O-] ZINC000401351844 467459632 /nfs/dbraw/zinc/45/96/32/467459632.db2.gz XWFAVUKTOYSDTA-JTQLQIEISA-N -2 0 339.335 2.272 20 0 EEADRL CCOC(=O)CC1(S(=O)(=O)[N-]c2cccc(Cl)c2[O-])CC1 ZINC000436477282 467538519 /nfs/dbraw/zinc/53/85/19/467538519.db2.gz LNUAKIRZDIFKDO-UHFFFAOYSA-N -2 0 333.793 2.273 20 0 EEADRL CCOC(=O)CCc1c(C)[n-]n(-c2ccc(C(=O)[O-])c(F)c2)c1=O ZINC000601949370 469108133 /nfs/dbraw/zinc/10/81/33/469108133.db2.gz KAEYANZMBZBSIQ-LLVKDONJSA-N -2 0 336.319 2.206 20 0 EEADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC2CC2)c1 ZINC000608343686 469805247 /nfs/dbraw/zinc/80/52/47/469805247.db2.gz CQQXHWRZSRHUCR-UHFFFAOYSA-N -2 0 341.414 2.162 20 0 EEADRL O=C(c1ncc2ccccc2c1O)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000614389518 469927442 /nfs/dbraw/zinc/92/74/42/469927442.db2.gz NXUFFCVLMNZAKH-LLVKDONJSA-N -2 0 340.339 2.049 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cn(C)c(C(C)C)n1 ZINC000654768276 471168703 /nfs/dbraw/zinc/16/87/03/471168703.db2.gz IDALJCZRANGQFB-UHFFFAOYSA-N -2 0 337.401 2.351 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2ccc(C)c(F)c2)sc1C(=O)[O-] ZINC000738295011 578008409 /nfs/dbraw/zinc/00/84/09/578008409.db2.gz IJFJSEYQPXXJLF-UHFFFAOYSA-N -2 0 330.362 2.398 20 0 EEADRL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)ccc1F ZINC000738332104 578009825 /nfs/dbraw/zinc/00/98/25/578009825.db2.gz FCIOBLQLPZUOAA-UHFFFAOYSA-N -2 0 343.357 2.013 20 0 EEADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccsc1C(=O)[O-] ZINC000738993140 575991533 /nfs/dbraw/zinc/99/15/33/575991533.db2.gz PLCLNVRVTZVAPX-UHFFFAOYSA-N -3 0 347.395 2.315 20 0 EEADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)cc2O)cc1C(=O)[O-] ZINC000753784489 577793415 /nfs/dbraw/zinc/79/34/15/577793415.db2.gz RTXNGYQKHKDBCX-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL Cc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000748690444 577965804 /nfs/dbraw/zinc/96/58/04/577965804.db2.gz BJADZTNHFSKDQP-UHFFFAOYSA-N -2 0 330.749 2.444 20 0 EEADRL O=C([O-])CCCc1nnc(NC(=O)c2c([O-])cc(F)cc2F)s1 ZINC000739709073 578064987 /nfs/dbraw/zinc/06/49/87/578064987.db2.gz XRRZLTSXCQHYCS-UHFFFAOYSA-N -2 0 343.311 2.182 20 0 EEADRL CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cnn(CC(=O)[O-])c1 ZINC000736299578 578194128 /nfs/dbraw/zinc/19/41/28/578194128.db2.gz MUKWJTZFBUVYCQ-UHFFFAOYSA-N -2 0 337.401 2.066 20 0 EEADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736964425 578231597 /nfs/dbraw/zinc/23/15/97/578231597.db2.gz FGLLEJUSONQBID-JTQLQIEISA-N -2 0 328.390 2.272 20 0 EEADRL Cc1nc(C)c(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])s1 ZINC000818990772 596921430 /nfs/dbraw/zinc/92/14/30/596921430.db2.gz WWWXJAPKNFAZDA-UHFFFAOYSA-N -2 0 326.399 2.188 20 0 EEADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c1C(=O)[O-] ZINC000320303916 599849622 /nfs/dbraw/zinc/84/96/22/599849622.db2.gz SMINIJLINCLIKJ-UHFFFAOYSA-N -2 0 338.316 2.406 20 0 EEADRL Cc1oc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])cc1C(=O)[O-] ZINC000832962884 601232073 /nfs/dbraw/zinc/23/20/73/601232073.db2.gz DHPAEYMUARKOMI-UHFFFAOYSA-N -3 0 339.325 2.094 20 0 EEADRL CCOc1cccc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])n1 ZINC000830104541 601362322 /nfs/dbraw/zinc/36/23/22/601362322.db2.gz HASSKALDJKCXBA-UHFFFAOYSA-N -2 0 340.357 2.189 20 0 EEADRL CSc1ccncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000832790580 601577407 /nfs/dbraw/zinc/57/74/07/601577407.db2.gz MVCDOBMBSOUXKF-UHFFFAOYSA-N -2 0 330.412 2.364 20 0 EEADRL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC000832953102 601616983 /nfs/dbraw/zinc/61/69/83/601616983.db2.gz MIALFQPYDUEDOL-UHFFFAOYSA-N -2 0 342.760 2.248 20 0 EEADRL COc1ccsc1S(=O)(=O)[N-]c1nc(C)c(C(=O)[O-])s1 ZINC000832643033 602101714 /nfs/dbraw/zinc/10/17/14/602101714.db2.gz PHBYOBQAPYNNAE-UHFFFAOYSA-N -2 0 334.400 2.021 20 0 EEADRL CCCC1(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)CCC1 ZINC000829230989 602385286 /nfs/dbraw/zinc/38/52/86/602385286.db2.gz RKCADQZDWAFOFV-UHFFFAOYSA-N -2 0 325.386 2.160 20 0 EEADRL CCC(CC)(C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC000863962063 1197938906 /nfs/dbraw/zinc/93/89/06/1197938906.db2.gz XETYYPHOKPLWHN-UHFFFAOYSA-N -2 0 347.820 2.177 20 0 EEADRL O=C(Nc1c[nH]c2cccnc12)c1ccccc1OP(=O)([O-])[O-] ZINC001189871322 1280530913 /nfs/dbraw/zinc/53/09/13/1280530913.db2.gz MHPWWRZAZAYKNQ-UHFFFAOYSA-N -2 0 333.240 2.287 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncc(F)s2)c(F)cc1F ZINC001195190066 1283474138 /nfs/dbraw/zinc/47/41/38/1283474138.db2.gz VHTDTWYYNIJUMN-UHFFFAOYSA-N -2 0 338.288 2.059 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])n(C2CCC2)n1 ZINC001198746776 1285316771 /nfs/dbraw/zinc/31/67/71/1285316771.db2.gz LVKWVJNKNYETLW-UHFFFAOYSA-N -2 0 335.385 2.416 20 0 EEADRL CCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1N ZINC001214276635 1296384837 /nfs/dbraw/zinc/38/48/37/1296384837.db2.gz PUDUBPPAAXHNJW-UHFFFAOYSA-N -2 0 336.369 2.167 20 0 EEADRL CCOC(=O)[C@@H](Oc1ccc(OP(=O)([O-])[O-])cc1)C(F)(F)F ZINC001234332076 1304876784 /nfs/dbraw/zinc/87/67/84/1304876784.db2.gz BIQPUBDQGJKCEU-SECBINFHSA-N -2 0 344.178 2.031 20 0 EEADRL COc1cccc(F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260215721 1319833623 /nfs/dbraw/zinc/83/36/23/1319833623.db2.gz UDEDWNFOCVGFEK-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL CCCc1ccnc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1 ZINC001260394224 1319882858 /nfs/dbraw/zinc/88/28/58/1319882858.db2.gz VZVUZBOTHOFAJB-UHFFFAOYSA-N -2 0 336.369 2.239 20 0 EEADRL O=C([O-])CCN(CC(=O)[O-])C(=O)c1cc(Cl)sc1Cl ZINC001602004924 1350414674 /nfs/dbraw/zinc/41/46/74/1350414674.db2.gz PQMFOUVDWYMVBM-UHFFFAOYSA-N -2 0 326.157 2.056 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCCC[C@H]3C2)on1 ZINC001602294889 1350487367 /nfs/dbraw/zinc/48/73/67/1350487367.db2.gz RAAFVLXXFVNCST-OUAUKWLOSA-N -2 0 328.390 2.010 20 0 EEADRL O=C([O-])c1csc([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)c1 ZINC001602564208 1350547590 /nfs/dbraw/zinc/54/75/90/1350547590.db2.gz WKOAWHOZOLYJMO-UHFFFAOYSA-N -2 0 336.753 2.435 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCOC3)s1 ZINC001608913679 1351793090 /nfs/dbraw/zinc/79/30/90/1351793090.db2.gz SEMSXMWIWSUXSX-UHFFFAOYSA-N -2 0 339.394 2.320 20 0 EEADRL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)C1CCC1 ZINC001609635952 1352047682 /nfs/dbraw/zinc/04/76/82/1352047682.db2.gz KFAUIZQNXGFZLD-MRVPVSSYSA-N -2 0 345.804 2.279 20 0 EEADRL C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])C[C@@H]1C ZINC001609844548 1352099296 /nfs/dbraw/zinc/09/92/96/1352099296.db2.gz HYORPLFDBSDELN-KXUCPTDWSA-N -2 0 345.442 2.324 20 0 EEADRL Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)cs1 ZINC001610436672 1352222386 /nfs/dbraw/zinc/22/23/86/1352222386.db2.gz ISSABMGMZWKPKF-UHFFFAOYSA-N -2 0 339.394 2.015 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(C(=O)[O-])c2)cc1C ZINC001610513135 1352236701 /nfs/dbraw/zinc/23/67/01/1352236701.db2.gz XGUXIXSHPDIFMS-UHFFFAOYSA-N -2 0 333.365 2.120 20 0 EEADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cnc(C2CC2)nc1 ZINC001610545488 1352242648 /nfs/dbraw/zinc/24/26/48/1352242648.db2.gz AIUYBPBSTKAHFM-UHFFFAOYSA-N -2 0 339.398 2.223 20 0 EEADRL Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001610576711 1352247769 /nfs/dbraw/zinc/24/77/69/1352247769.db2.gz FGIIPPWKAHZULS-UHFFFAOYSA-N -2 0 326.330 2.261 20 0 EEADRL O=C([O-])c1c(F)cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1F ZINC001610807371 1352278369 /nfs/dbraw/zinc/27/83/69/1352278369.db2.gz VGJDIUIDBLCKGW-IUCAKERBSA-N -2 0 325.267 2.269 20 0 EEADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(C2CCC2)cn1 ZINC001610872398 1352288657 /nfs/dbraw/zinc/28/86/57/1352288657.db2.gz ARKYDFIOTNHKRO-UHFFFAOYSA-N -2 0 339.398 2.305 20 0 EEADRL Cc1[nH]c(C(=O)[O-])cc1C([O-])=CS(=O)(=O)Cc1ccc(C)c(C)c1 ZINC001600421584 1350047443 /nfs/dbraw/zinc/04/74/43/1350047443.db2.gz DJQYQBYMXWVDOB-UHFFFAOYSA-N -2 0 349.408 2.436 20 0 EEADRL Cc1cccc(S(=O)(=O)[N-]c2cc(C3CC3)nn2C)c1C(=O)[O-] ZINC001600550609 1350080147 /nfs/dbraw/zinc/08/01/47/1350080147.db2.gz XEPDKCHVPZCJNR-UHFFFAOYSA-N -2 0 335.385 2.105 20 0 EEADRL Cc1noc(C)c1[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001600808323 1350141262 /nfs/dbraw/zinc/14/12/62/1350141262.db2.gz MTPPORMUUSDNMW-LURJTMIESA-N -2 0 348.764 2.276 20 0 EEADRL O=C(C=Cc1ccc(C(=O)[O-])o1)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC001601237960 1350238878 /nfs/dbraw/zinc/23/88/78/1350238878.db2.gz ILTFIGVZNPKBOS-FNORWQNLSA-N -2 0 340.295 2.120 20 0 EEADRL O=C([O-])[C@@H](CC1CCOCC1)NC(=O)c1cccc(Cl)c1[O-] ZINC001601413078 1350279083 /nfs/dbraw/zinc/27/90/83/1350279083.db2.gz QHTBXBLHJJUPQY-GFCCVEGCSA-N -2 0 327.764 2.045 20 0 EEADRL O=C([O-])[C@@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1cccc2ccccc21 ZINC001601665098 1350332484 /nfs/dbraw/zinc/33/24/84/1350332484.db2.gz RKBFYTGVXFAKGW-KFWWJZLASA-N -2 0 327.336 2.193 20 0 EEADRL O=C([O-])[C@@H]1CCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)[C@@H]2CCCC[C@H]12 ZINC001601827842 1350374875 /nfs/dbraw/zinc/37/48/75/1350374875.db2.gz QYGPLPAFKHVZOE-CKYFFXLPSA-N -2 0 345.355 2.034 20 0 EEADRL O=C([O-])[C@@H]1CCc2sc([N-]S(=O)(=O)c3ccccc3)nc2C1 ZINC001601838967 1350377344 /nfs/dbraw/zinc/37/73/44/1350377344.db2.gz FKMRECYTLFXUNG-SECBINFHSA-N -2 0 338.410 2.133 20 0 EEADRL O=C([O-])CCCCC(=O)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001601980366 1350409998 /nfs/dbraw/zinc/40/99/98/1350409998.db2.gz YMMLXQGYXDUMME-SNVBAGLBSA-N -2 0 340.401 2.192 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)on1 ZINC001602294888 1350487163 /nfs/dbraw/zinc/48/71/63/1350487163.db2.gz RAAFVLXXFVNCST-HBNTYKKESA-N -2 0 328.390 2.010 20 0 EEADRL O=C([O-])c1ccc(CNC(=O)c2ccc3[n-]c(=S)oc3c2)nc1 ZINC001602342932 1350499604 /nfs/dbraw/zinc/49/96/04/1350499604.db2.gz YFHXAPQSSYJXFI-UHFFFAOYSA-N -2 0 329.337 2.140 20 0 EEADRL O=C([O-])c1ccccc1C1CCN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CC1 ZINC001602466405 1350525732 /nfs/dbraw/zinc/52/57/32/1350525732.db2.gz QGZLCPLUXRSWMH-DZGCQCFKSA-N -2 0 331.368 2.202 20 0 EEADRL CCCC(C)(C)CC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001605197260 1351100548 /nfs/dbraw/zinc/10/05/48/1351100548.db2.gz CKRYXFQLVYVNCZ-UHFFFAOYSA-N -2 0 327.402 2.406 20 0 EEADRL CCCCc1nnc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])o1 ZINC001605293155 1351127341 /nfs/dbraw/zinc/12/73/41/1351127341.db2.gz NKWXWLSMLUTJBQ-UHFFFAOYSA-N -2 0 343.336 2.050 20 0 EEADRL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)C(F)(F)F ZINC001605761691 1351221588 /nfs/dbraw/zinc/22/15/88/1351221588.db2.gz KHFLAOVSZNQTJS-VIFPVBQESA-N -2 0 347.261 2.282 20 0 EEADRL CCc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2c(C)noc2C)s1 ZINC001605789015 1351223443 /nfs/dbraw/zinc/22/34/43/1351223443.db2.gz KWDANBHALJPNNT-UHFFFAOYSA-N -2 0 330.387 2.414 20 0 EEADRL CCc1cc(C(=O)[O-])ccc1NC(=O)C(=O)[N-]OC1CCCCC1 ZINC001605790121 1351223458 /nfs/dbraw/zinc/22/34/58/1351223458.db2.gz MKFBVGYAHIHJIV-UHFFFAOYSA-N -2 0 334.372 2.266 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N[C@@H](CC2CC2)C(=O)[O-])n1 ZINC001605832210 1351231390 /nfs/dbraw/zinc/23/13/90/1351231390.db2.gz HZTYMTBXBAPILG-ZDUSSCGKSA-N -2 0 343.383 2.123 20 0 EEADRL CCc1ncc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2F)s1 ZINC001605861809 1351239813 /nfs/dbraw/zinc/23/98/13/1351239813.db2.gz ADPSBJIWYXICOP-UHFFFAOYSA-N -2 0 348.352 2.483 20 0 EEADRL CSc1c[nH]nc1[N-]S(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC001607402559 1351488446 /nfs/dbraw/zinc/48/84/46/1351488446.db2.gz GZWKHTPLMCDYQX-UHFFFAOYSA-N -2 0 333.416 2.001 20 0 EEADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1nc(C(F)(F)F)c[nH]1 ZINC001607518539 1351509547 /nfs/dbraw/zinc/50/95/47/1351509547.db2.gz FLLNVPZTVDUZEL-UHFFFAOYSA-N -2 0 349.290 2.236 20 0 EEADRL Cc1ccc(NC(=O)Cc2cc(=O)n(CC(C)C)[n-]2)c(C(=O)[O-])c1C ZINC001607800943 1351561517 /nfs/dbraw/zinc/56/15/17/1351561517.db2.gz TTZLFFPVAOYWTR-UHFFFAOYSA-N -2 0 345.399 2.329 20 0 EEADRL Cc1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)oc1C ZINC001607966594 1351594605 /nfs/dbraw/zinc/59/46/05/1351594605.db2.gz VUXYTHUILMDUGE-UHFFFAOYSA-N -2 0 330.749 2.444 20 0 EEADRL Cc1ncc(NC(=O)c2cc(C(=O)OC(C)(C)C)[n-]n2)cc1C(=O)[O-] ZINC001607982496 1351597581 /nfs/dbraw/zinc/59/75/81/1351597581.db2.gz RZCWLDXFQNRGHG-UHFFFAOYSA-N -2 0 346.343 2.019 20 0 EEADRL Cc1ncc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)cc1C(=O)[O-] ZINC001607984514 1351597959 /nfs/dbraw/zinc/59/79/59/1351597959.db2.gz CUVVOBBLSHNPOV-UHFFFAOYSA-N -2 0 342.760 2.248 20 0 EEADRL O=C([O-])c1c(Cl)cccc1S(=O)(=O)[N-]C(=O)C[C@H]1C=CCC1 ZINC001608292875 1351664904 /nfs/dbraw/zinc/66/49/04/1351664904.db2.gz YCICOTUUASOVPW-VIFPVBQESA-N -2 0 343.788 2.199 20 0 EEADRL O=C([O-])[C@H](NC(=O)c1cc(F)cc(F)c1[O-])c1ccc2c(c1)CCO2 ZINC001608385247 1351683027 /nfs/dbraw/zinc/68/30/27/1351683027.db2.gz AEALKYONGSNEJS-CQSZACIVSA-N -2 0 349.289 2.161 20 0 EEADRL O=C([O-])[C@@H](CNC(=O)c1ccc(Cl)c([O-])c1)Oc1ccccc1 ZINC001608455172 1351698884 /nfs/dbraw/zinc/69/88/84/1351698884.db2.gz FBYCOICXJBEVNY-CQSZACIVSA-N -2 0 335.743 2.308 20 0 EEADRL Cn1ccnc1S(=O)(=O)[N-]c1ccc(Br)cc1[S-] ZINC001193604482 1368466225 /nfs/dbraw/zinc/46/62/25/1368466225.db2.gz OOVVCXGQYPRNPB-UHFFFAOYSA-N -2 0 348.247 2.272 20 0 EEADRL O=C(Nc1ccc(OCc2nnn[n-]2)cc1)c1ccc(Cl)cc1[O-] ZINC000436543568 1409860323 /nfs/dbraw/zinc/86/03/23/1409860323.db2.gz FONSWLYWKZIJCL-UHFFFAOYSA-N -2 0 345.746 2.390 20 0 EEADRL CN(C)c1ccc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)nc1 ZINC001167940599 781039706 /nfs/dbraw/zinc/03/97/06/781039706.db2.gz ZLYKOPIHXNSCNI-UHFFFAOYSA-N -2 0 333.328 2.232 20 0 EEADRL COc1c(Br)ccc(NCCOP(=O)([O-])[O-])c1F ZINC001168596288 791048879 /nfs/dbraw/zinc/04/88/79/791048879.db2.gz SPYLTJYEZSIHRB-UHFFFAOYSA-N -2 0 344.073 2.118 20 0 EEADRL CC(C)(C)OC(=O)Cc1cccc(NCCOP(=O)([O-])[O-])c1 ZINC001168596199 791048459 /nfs/dbraw/zinc/04/84/59/791048459.db2.gz QVPLZRJBTNPZHX-UHFFFAOYSA-N -2 0 331.305 2.092 20 0 EEADRL Cc1ccc(CCC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c(C)c1 ZINC000910188988 786521316 /nfs/dbraw/zinc/52/13/16/786521316.db2.gz OOAXLSYCTFMWSW-HUUCEWRRSA-N -2 0 333.384 2.012 20 0 EEADRL CC1(C)CCC(CC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])CC1 ZINC000910192106 786523517 /nfs/dbraw/zinc/52/35/17/786523517.db2.gz MQGSGVUGNKKDIB-OLZOCXBDSA-N -2 0 325.405 2.369 20 0 EEADRL O=C([O-])c1cc(Nc2ccc(F)cc2OCCO)cc(C(=O)[O-])c1 ZINC001176243685 798392589 /nfs/dbraw/zinc/39/25/89/798392589.db2.gz BEYCETOYORRKNJ-UHFFFAOYSA-N -2 0 335.287 2.337 20 0 EEADRL CONC(=O)c1ccccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176244300 798392993 /nfs/dbraw/zinc/39/29/93/798392993.db2.gz RNXGBXVCIFUBRZ-UHFFFAOYSA-N -2 0 330.296 2.118 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H]1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)(F)F ZINC001465108413 804099318 /nfs/dbraw/zinc/09/93/18/804099318.db2.gz RNZXEXCXJVRVNA-OUAUKWLOSA-N -2 0 337.319 2.073 20 0 EEADRL COCCOCCOCCOCCNc1cc([S-])cc([S-])c1 ZINC001170477528 811193522 /nfs/dbraw/zinc/19/35/22/811193522.db2.gz HPFADYSIDOFMBR-UHFFFAOYSA-N -2 0 347.502 2.372 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C2CCCC2)sc1C ZINC000863958049 939244805 /nfs/dbraw/zinc/24/48/05/939244805.db2.gz YKRUBZSRQWTEMO-GFCCVEGCSA-N -2 0 345.442 2.061 20 0 EEADRL O=C([O-])[C@H](Cc1ccncc1)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC001594720000 956967807 /nfs/dbraw/zinc/96/78/07/956967807.db2.gz ZGUDOAHVCGGMHD-LBPRGKRZSA-N -2 0 338.722 2.005 20 0 EEADRL C[C@H](C(=O)[O-])C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC001588584950 959296455 /nfs/dbraw/zinc/29/64/55/959296455.db2.gz JIJIAONCYCFZBN-NSHDSACASA-N -2 0 348.380 2.147 20 0 EEADRL CCCN(CC(=O)[O-])C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001573854051 961135115 /nfs/dbraw/zinc/13/51/15/961135115.db2.gz JUENJCCDLZMHIX-UHFFFAOYSA-N -2 0 337.763 2.168 20 0 EEADRL O=C([O-])CC1(NC(=O)c2cccc(C(F)(F)F)c2[O-])CCOCC1 ZINC001606081331 973239758 /nfs/dbraw/zinc/23/97/58/973239758.db2.gz OKYBPURPMYSKEV-UHFFFAOYSA-N -2 0 347.289 2.165 20 0 EEADRL CC[C@@H](C(=O)[O-])N(C)C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001603498632 973460785 /nfs/dbraw/zinc/46/07/85/973460785.db2.gz QXLRPSFQKOJTMH-NSHDSACASA-N -2 0 337.763 2.167 20 0 EEADRL C[C@H](CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])C1CCCCC1 ZINC001592258367 977495881 /nfs/dbraw/zinc/49/58/81/977495881.db2.gz DDEUKZVJCVXQHX-LLVKDONJSA-N -2 0 333.450 2.150 20 0 EEADRL CCCc1cc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])sc1C ZINC001596055618 983358884 /nfs/dbraw/zinc/35/88/84/983358884.db2.gz UCTPFCFOICXFCO-PSASIEDQSA-N -2 0 347.458 2.178 20 0 EEADRL CCCc1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])sc1C ZINC001596055620 983358999 /nfs/dbraw/zinc/35/89/99/983358999.db2.gz UCTPFCFOICXFCO-SCZZXKLOSA-N -2 0 347.458 2.178 20 0 EEADRL C/C(=C\C(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)C(C)(C)C ZINC001588942944 984638934 /nfs/dbraw/zinc/63/89/34/984638934.db2.gz TYHJBYMTAUXQBO-VQHVLOKHSA-N -2 0 329.374 2.084 20 0 EEADRL CC(C)(C(=O)[O-])[C@@H](NC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001589595563 987415225 /nfs/dbraw/zinc/41/52/25/987415225.db2.gz XOAJBVNZNZHTMB-KBPBESRZSA-N -2 0 348.399 2.345 20 0 EEADRL CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)no1 ZINC001597482276 987977345 /nfs/dbraw/zinc/97/73/45/987977345.db2.gz CEBFTGYNDWYHIP-UHFFFAOYSA-N -2 0 328.321 2.184 20 0 EEADRL CCc1ccccc1-n1cc([O-])c(C(=O)N[C@@](C)(CC)C(=O)[O-])n1 ZINC001597604105 988478479 /nfs/dbraw/zinc/47/84/79/988478479.db2.gz FAAGZNAVWVETQA-KRWDZBQOSA-N -2 0 331.372 2.123 20 0 EEADRL CSc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)n1 ZINC001599823600 988557405 /nfs/dbraw/zinc/55/74/05/988557405.db2.gz ZHRBNLHDIOKDNC-UHFFFAOYSA-N -2 0 330.412 2.364 20 0 EEADRL CC(C)(C)c1ccc(NS(=O)(=O)CCCC(=O)[O-])c(C(=O)[O-])c1 ZINC001590494261 990100731 /nfs/dbraw/zinc/10/07/31/990100731.db2.gz XRJDBJUQBJMSBZ-UHFFFAOYSA-N -2 0 343.401 2.289 20 0 EEADRL CC(C)(CS(=O)(=O)[N-][C@@H](c1ccccc1)C(F)(F)F)C(=O)[O-] ZINC001590799326 990627871 /nfs/dbraw/zinc/62/78/71/990627871.db2.gz QETXACRNBOJCAY-JTQLQIEISA-N -2 0 339.335 2.320 20 0 EEADRL CS(=O)(=O)[N-]c1ccccc1C(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC001599762095 992136620 /nfs/dbraw/zinc/13/66/20/992136620.db2.gz JGUHNVAKUJVDFB-AWEZNQCLSA-N -2 0 349.364 2.041 20 0 EEADRL CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC001591428288 992514404 /nfs/dbraw/zinc/51/44/04/992514404.db2.gz AOOJGGVPPYFVIN-ZDUSSCGKSA-N -2 0 349.362 2.288 20 0 EEADRL C[C@@H](NC(=O)c1ccc(/C=C\C(=O)[O-])o1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593161597 993993966 /nfs/dbraw/zinc/99/39/66/993993966.db2.gz FCDQBRYFHVBJQV-BWYCXVOZSA-N -2 0 335.356 2.243 20 0 EEADRL C[C@]1(C(=O)[O-])CCCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)C1 ZINC001593768635 996453945 /nfs/dbraw/zinc/45/39/45/996453945.db2.gz ODJUXQLDXJZTCX-GLJUWKHASA-N -2 0 346.383 2.196 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCC(C)=C(C)C2)oc1C(=O)[O-] ZINC001594108803 998187079 /nfs/dbraw/zinc/18/70/79/998187079.db2.gz ANXDXCJXISYBCF-NSHDSACASA-N -2 0 341.385 2.228 20 0 EEADRL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)s1 ZINC001598982786 998673292 /nfs/dbraw/zinc/67/32/92/998673292.db2.gz DLYWEERULFSJPE-UHFFFAOYSA-N -2 0 347.395 2.095 20 0 EEADRL CCn1nc(C)c(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c1C ZINC000266077625 248080564 /nfs/dbraw/zinc/08/05/64/248080564.db2.gz MSMVWLWKUQUXQD-UHFFFAOYSA-N -2 0 341.364 2.158 20 0 EEADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2O)c(F)c1 ZINC000345698017 161323847 /nfs/dbraw/zinc/32/38/47/161323847.db2.gz ZDRKNOPNRTWZCZ-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)c1ccc(C(=O)[O-])cc1 ZINC000358854090 164000386 /nfs/dbraw/zinc/00/03/86/164000386.db2.gz OOFYCKFDFOOWDT-UHFFFAOYSA-N -2 0 349.364 2.217 20 0 EEADRL COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000359072114 164052016 /nfs/dbraw/zinc/05/20/16/164052016.db2.gz LYHMCRCAZQAORZ-UHFFFAOYSA-N -2 0 343.307 2.472 20 0 EEADRL Cc1ccc(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)cc1C(=O)[O-] ZINC000360237792 164264175 /nfs/dbraw/zinc/26/41/75/164264175.db2.gz KBKJSUNSGNTTQC-UHFFFAOYSA-N -2 0 349.364 2.121 20 0 EEADRL CO[C@@H](C)c1nc(=NC(=O)c2cc(F)cc(Cl)c2[O-])s[n-]1 ZINC000436732231 314993502 /nfs/dbraw/zinc/99/35/02/314993502.db2.gz SUXLSCBSUDEDPS-YFKPBYRVSA-N -2 0 331.756 2.418 20 0 EEADRL Cc1cc(CS(=O)(=O)[N-]c2c(C(=O)[O-])ccc3cccnc32)on1 ZINC000548535391 318394817 /nfs/dbraw/zinc/39/48/17/318394817.db2.gz UQVALZGXGMSUEG-UHFFFAOYSA-N -2 0 347.352 2.171 20 0 EEADRL C[C@H]1CCN(C(=O)N=c2nc(-c3ccccc3)[n-]s2)C[C@H]1C(=O)[O-] ZINC000567385754 319375753 /nfs/dbraw/zinc/37/57/53/319375753.db2.gz OUFJAGRHGKLKPH-CMPLNLGQSA-N -2 0 346.412 2.202 20 0 EEADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2c(F)cccc2F)c1O ZINC000388436951 323540184 /nfs/dbraw/zinc/54/01/84/323540184.db2.gz UATRACSBBMGAOX-UHFFFAOYSA-N -2 0 329.280 2.169 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])cn1 ZINC000351344464 465123563 /nfs/dbraw/zinc/12/35/63/465123563.db2.gz VGMIXUXHUIMSAT-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000339205060 465141034 /nfs/dbraw/zinc/14/10/34/465141034.db2.gz PXCZFRVCCADQIB-SNVBAGLBSA-N -2 0 338.385 2.232 20 0 EEADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccc(C)o2)c1OC ZINC000358566137 465196773 /nfs/dbraw/zinc/19/67/73/465196773.db2.gz MSHDFDLXSWDCJO-UHFFFAOYSA-N -2 0 341.341 2.104 20 0 EEADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000339410537 465250030 /nfs/dbraw/zinc/25/00/30/465250030.db2.gz VHGCMVXQAGASKG-UHFFFAOYSA-N -2 0 325.317 2.333 20 0 EEADRL Cc1cc(C(=O)Nc2cccc(F)c2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000074253978 462575098 /nfs/dbraw/zinc/57/50/98/462575098.db2.gz AKJKFSVVCBTOQO-UHFFFAOYSA-N -2 0 328.303 2.032 20 0 EEADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000054294726 463224879 /nfs/dbraw/zinc/22/48/79/463224879.db2.gz AKUWYTJYSKIMAX-UHFFFAOYSA-N -2 0 339.344 2.262 20 0 EEADRL CCc1cccc(C)c1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000151430395 463530314 /nfs/dbraw/zinc/53/03/14/463530314.db2.gz HLMHEIZCWZFDLC-UHFFFAOYSA-N -2 0 338.367 2.455 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)c[nH]1 ZINC000265920628 464734120 /nfs/dbraw/zinc/73/41/20/464734120.db2.gz PPVTXFKVNNGNOC-UHFFFAOYSA-N -2 0 336.369 2.303 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2)sc1C(=O)[O-] ZINC000266658270 464779929 /nfs/dbraw/zinc/77/99/29/464779929.db2.gz ZSNOQXBHFWZGDF-UHFFFAOYSA-N -2 0 343.430 2.408 20 0 EEADRL COc1ncc(C)cc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000362305493 465643314 /nfs/dbraw/zinc/64/33/14/465643314.db2.gz MXHLDNWJJHPTLD-UHFFFAOYSA-N -2 0 340.332 2.037 20 0 EEADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)CCOC(C)C ZINC000362196021 466617016 /nfs/dbraw/zinc/61/70/16/466617016.db2.gz RODSRMGHERBVHB-UHFFFAOYSA-N -2 0 345.417 2.340 20 0 EEADRL Cc1c(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)cnn1C ZINC000323981098 466642692 /nfs/dbraw/zinc/64/26/92/466642692.db2.gz JGICLPKLIQBHES-JTQLQIEISA-N -2 0 337.401 2.108 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)ccc1F ZINC000433510241 467337208 /nfs/dbraw/zinc/33/72/08/467337208.db2.gz MQIMXKLLCWEVRU-UHFFFAOYSA-N -2 0 325.317 2.339 20 0 EEADRL COc1ccc(NS(=O)(=O)CCc2ccc3c(c2)CCO3)c(O)c1 ZINC000571408388 468784465 /nfs/dbraw/zinc/78/44/65/468784465.db2.gz PRUGVVKZLDASRC-UHFFFAOYSA-N -2 0 349.408 2.320 20 0 EEADRL C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000663055534 472342854 /nfs/dbraw/zinc/34/28/54/472342854.db2.gz AJRIGFBWUJFAAW-QWRGUYRKSA-N -2 0 347.346 2.042 20 0 EEADRL CC(C)C[C@H](CNC(=O)c1cccc(OCC(=O)[O-])c1)CC(=O)[O-] ZINC000663140235 472370182 /nfs/dbraw/zinc/37/01/82/472370182.db2.gz XDTISCUDIUBRSW-LBPRGKRZSA-N -2 0 337.372 2.017 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)c(C)c1C(=O)[O-] ZINC000677123873 486377291 /nfs/dbraw/zinc/37/72/91/486377291.db2.gz HWIGBTLOTQZTFV-UHFFFAOYSA-N -2 0 347.396 2.470 20 0 EEADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnn(C(F)F)c2)c1C ZINC000766376501 577518113 /nfs/dbraw/zinc/51/81/13/577518113.db2.gz SKCHTQJFHILVSO-UHFFFAOYSA-N -2 0 345.327 2.394 20 0 EEADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)cc1O ZINC000761949758 577692198 /nfs/dbraw/zinc/69/21/98/577692198.db2.gz CRFUAZWUQBFEOI-UHFFFAOYSA-N -2 0 346.723 2.079 20 0 EEADRL C[C@@H](c1ccccc1)N(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000751207613 577749292 /nfs/dbraw/zinc/74/92/92/577749292.db2.gz BPOQIDBYTGWDNM-NSHDSACASA-N -2 0 335.381 2.472 20 0 EEADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1n[nH]c2ccccc21 ZINC000740143153 578082626 /nfs/dbraw/zinc/08/26/26/578082626.db2.gz FCJPQNZFWKCIAK-UHFFFAOYSA-N -2 0 335.316 2.201 20 0 EEADRL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])c1ccsc1 ZINC000736215740 578188541 /nfs/dbraw/zinc/18/85/41/578188541.db2.gz NLQSGKOPPHWAHC-SSDOTTSWSA-N -2 0 345.423 2.116 20 0 EEADRL CCC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000736971137 578231875 /nfs/dbraw/zinc/23/18/75/578231875.db2.gz QZSOHGULEYOYMP-CYBMUJFWSA-N -2 0 333.450 2.294 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2cccc3ncccc32)c(C(=O)[O-])[nH]1 ZINC000391320476 600254982 /nfs/dbraw/zinc/25/49/82/600254982.db2.gz FMNKLJOEJQTGGC-UHFFFAOYSA-N -2 0 331.353 2.370 20 0 EEADRL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)cc1Cl ZINC000316138639 600576094 /nfs/dbraw/zinc/57/60/94/600576094.db2.gz FYDPCCYKGWVFFX-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])s2)c(F)c1 ZINC000832954444 600802849 /nfs/dbraw/zinc/80/28/49/600802849.db2.gz FHGULHXPYQCCDY-UHFFFAOYSA-N -2 0 343.357 2.013 20 0 EEADRL O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000833181933 601186988 /nfs/dbraw/zinc/18/69/88/601186988.db2.gz UTRHVVTYFJGXLW-PHDIDXHHSA-N -2 0 334.553 2.467 20 0 EEADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)n1 ZINC000832889743 601247290 /nfs/dbraw/zinc/24/72/90/601247290.db2.gz NQXCXGZEXQHRCL-AWEZNQCLSA-N -2 0 349.362 2.255 20 0 EEADRL COc1cccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000832632296 601360455 /nfs/dbraw/zinc/36/04/55/601360455.db2.gz FXQMZMAYOADELY-UHFFFAOYSA-N -2 0 336.369 2.206 20 0 EEADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc(C)c1O ZINC000831946843 601604707 /nfs/dbraw/zinc/60/47/07/601604707.db2.gz ZNEIDJLNHFTZHG-UHFFFAOYSA-N -2 0 343.382 2.270 20 0 EEADRL CO[C@H](C)c1cccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000831493525 601839917 /nfs/dbraw/zinc/83/99/17/601839917.db2.gz NGTZZRRXDLSVLQ-MRVPVSSYSA-N -2 0 342.398 2.350 20 0 EEADRL COCc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000831821657 601857879 /nfs/dbraw/zinc/85/78/79/601857879.db2.gz CSMWLHQNQJPDAS-UHFFFAOYSA-N -2 0 339.344 2.471 20 0 EEADRL CCCCc1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)n[nH]1 ZINC000829430565 602102952 /nfs/dbraw/zinc/10/29/52/602102952.db2.gz CMYIDXBFQODBSX-UHFFFAOYSA-N -2 0 337.401 2.180 20 0 EEADRL CCCCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n[nH]1 ZINC000829430594 602103205 /nfs/dbraw/zinc/10/32/05/602103205.db2.gz FZBAAISMQOIKEP-UHFFFAOYSA-N -2 0 341.364 2.390 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)sc1C(=O)[O-] ZINC000832903784 602117735 /nfs/dbraw/zinc/11/77/35/602117735.db2.gz ULHIOXDRMOISAZ-UHFFFAOYSA-N -3 0 347.395 2.315 20 0 EEADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cs1 ZINC000832868629 602117942 /nfs/dbraw/zinc/11/79/42/602117942.db2.gz QETYCUODJFPGCS-UHFFFAOYSA-N -3 0 341.366 2.254 20 0 EEADRL CC(C)CCn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)n1 ZINC000833485339 605186976 /nfs/dbraw/zinc/18/69/76/605186976.db2.gz PYGYOYPJWKHFFN-UHFFFAOYSA-N -2 0 327.362 2.021 20 0 EEADRL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000065844575 674925019 /nfs/dbraw/zinc/92/50/19/674925019.db2.gz JOYWGGAYBADHEN-UHFFFAOYSA-N -2 0 343.792 2.189 20 0 EEADRL C[C@H]1CCC[C@H](C)N1C(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189913776 1280550644 /nfs/dbraw/zinc/55/06/44/1280550644.db2.gz AXTUYCXEUSUYRW-UWVGGRQHSA-N -2 0 341.385 2.035 20 0 EEADRL O=C(Nc1nc[n-]c(=O)c1Br)c1cc(F)c([O-])cc1F ZINC001192852906 1282210697 /nfs/dbraw/zinc/21/06/97/1282210697.db2.gz NMIVXJONGRWBJY-UHFFFAOYSA-N -2 0 346.087 2.181 20 0 EEADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cncc(O)c2)c(Cl)cc1F ZINC001193973579 1282799453 /nfs/dbraw/zinc/79/94/53/1282799453.db2.gz UKTYELODHGQQGM-UHFFFAOYSA-N -2 0 346.723 2.079 20 0 EEADRL COc1ncccc1S(=O)(=O)[N-]c1nc2c(cccc2O)s1 ZINC001194668078 1283238807 /nfs/dbraw/zinc/23/88/07/1283238807.db2.gz UVZUJFJJDPKYBQ-UHFFFAOYSA-N -2 0 337.382 2.206 20 0 EEADRL COc1cccc(C(C)=O)c1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198782081 1285328429 /nfs/dbraw/zinc/32/84/29/1285328429.db2.gz BZIHXEBZXPXCQO-UHFFFAOYSA-N -2 0 349.364 2.397 20 0 EEADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccccc1Cl ZINC000863414133 1296269642 /nfs/dbraw/zinc/26/96/42/1296269642.db2.gz SBJOTTFMZMGENK-RCOVLWMOSA-N -2 0 345.726 2.336 20 0 EEADRL CC(C)c1cccc(C(C)C)c1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001227324599 1301783522 /nfs/dbraw/zinc/78/35/22/1301783522.db2.gz FOXVCXSNUCPYCT-CYBMUJFWSA-N -2 0 346.316 2.309 20 0 EEADRL COC(=O)[C@H]1CC[C@@H](Oc2ccc(OP(=O)([O-])[O-])cc2)CC1 ZINC001234334252 1304881154 /nfs/dbraw/zinc/88/11/54/1304881154.db2.gz FTUVVDOWFICRCV-PHIMTYICSA-N -2 0 330.273 2.269 20 0 EEADRL CCOc1ncc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1C(=O)OC ZINC001242161462 1309623661 /nfs/dbraw/zinc/62/36/61/1309623661.db2.gz AMKRPRUBFRAIQV-UHFFFAOYSA-N -2 0 345.307 2.330 20 0 EEADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(C3=NNC(=O)CC3)cc2)c1 ZINC001242163341 1309623978 /nfs/dbraw/zinc/62/39/78/1309623978.db2.gz UXNVFXXGCIPZFI-UHFFFAOYSA-N -2 0 338.319 2.364 20 0 EEADRL CNC(=O)c1ccc(-c2ccc(P(=O)([O-])[O-])cc2)c(Cl)c1 ZINC001243460393 1309806305 /nfs/dbraw/zinc/80/63/05/1309806305.db2.gz ZCQGDHWPWQEPFS-UHFFFAOYSA-N -2 0 325.688 2.170 20 0 EEADRL O=P([O-])([O-])OCCNc1nc(-c2cccnc2)nc2ccccc21 ZINC001157795641 1318866400 /nfs/dbraw/zinc/86/64/00/1318866400.db2.gz IMDBEYFFJCDFLA-UHFFFAOYSA-N -2 0 346.283 2.213 20 0 EEADRL Cc1cc(NCCOP(=O)([O-])[O-])nc(-c2ccc(Cl)nc2)n1 ZINC001157795798 1318867620 /nfs/dbraw/zinc/86/76/20/1318867620.db2.gz LORXRYRMRJUXOH-UHFFFAOYSA-N -2 0 344.695 2.022 20 0 EEADRL Cn1ncc2cccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)c21 ZINC001260189698 1319821904 /nfs/dbraw/zinc/82/19/04/1319821904.db2.gz XYDQRMDAHBGQAS-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL Cn1ncc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)c21 ZINC001260215353 1319833860 /nfs/dbraw/zinc/83/38/60/1319833860.db2.gz YBAIFIDYCZUNAI-UHFFFAOYSA-N -2 0 349.343 2.211 20 0 EEADRL CC(C)c1cccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)n1 ZINC001260392613 1319881218 /nfs/dbraw/zinc/88/12/18/1319881218.db2.gz IWKDJLDZHIMGAI-UHFFFAOYSA-N -2 0 336.369 2.410 20 0 EEADRL CC(C)c1ncsc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260394066 1319882681 /nfs/dbraw/zinc/88/26/81/1319882681.db2.gz PLPHWARTYHGMAD-UHFFFAOYSA-N -2 0 342.398 2.471 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])cc2)c(C)s1 ZINC001600297460 1350014275 /nfs/dbraw/zinc/01/42/75/1350014275.db2.gz PWOOLFYLHJKUIU-UHFFFAOYSA-N -2 0 339.394 2.182 20 0 EEADRL O=C([O-])c1ncsc1S(=O)(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC001602583554 1350551283 /nfs/dbraw/zinc/55/12/83/1350551283.db2.gz VQTMNIOILYYJLG-IVZWLZJFSA-N -2 0 330.431 2.088 20 0 EEADRL O=C([O-])c1ccccc1CCS(=O)(=O)c1nc2ccccc2[n-]1 ZINC001608946888 1351800819 /nfs/dbraw/zinc/80/08/19/1351800819.db2.gz XCIMHDGTJCGMIG-UHFFFAOYSA-N -2 0 330.365 2.278 20 0 EEADRL O=C([O-])c1ccccc1C1CCN(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CC1 ZINC001608945073 1351800349 /nfs/dbraw/zinc/80/03/49/1351800349.db2.gz SXSMHXRVFXCYTD-BETUJISGSA-N -2 0 346.383 2.137 20 0 EEADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC001609009704 1351813350 /nfs/dbraw/zinc/81/33/50/1351813350.db2.gz DLPTZVCHIRTRRS-VHSXEESVSA-N -2 0 343.426 2.078 20 0 EEADRL CC(C)CCCC(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001609695882 1352061570 /nfs/dbraw/zinc/06/15/70/1352061570.db2.gz JHZLTHPSSCWERB-UHFFFAOYSA-N -2 0 327.402 2.157 20 0 EEADRL C[C@@](NC(=O)c1cc(Br)c(F)cc1[O-])(C(=O)[O-])C1CC1 ZINC001609768110 1352080421 /nfs/dbraw/zinc/08/04/21/1352080421.db2.gz KUDRRQIYIADVNN-ZDUSSCGKSA-N -2 0 346.152 2.277 20 0 EEADRL CC1(C)CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001609818743 1352093011 /nfs/dbraw/zinc/09/30/11/1352093011.db2.gz YGAASAWQRZTCOC-GFCCVEGCSA-N -2 0 325.386 2.016 20 0 EEADRL Cc1c(NS(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cccc1C(=O)[O-] ZINC001610427286 1352221072 /nfs/dbraw/zinc/22/10/72/1352221072.db2.gz QXCHPDUOTAUSPH-DGCLKSJQSA-N -2 0 341.385 2.078 20 0 EEADRL Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001610537519 1352240950 /nfs/dbraw/zinc/24/09/50/1352240950.db2.gz UNHNMCWUKIIFQT-UHFFFAOYSA-N -2 0 347.352 2.273 20 0 EEADRL Cn1cc([N-]S(=O)(=O)c2cnc3ccccc3c2)cc1C(=O)[O-] ZINC001610605825 1352252757 /nfs/dbraw/zinc/25/27/57/1352252757.db2.gz SCNDOXCJMOTXDG-UHFFFAOYSA-N -2 0 331.353 2.072 20 0 EEADRL O=C([O-])CCc1csc([N-]S(=O)(=O)c2cncc(Cl)c2)n1 ZINC001610778817 1352273083 /nfs/dbraw/zinc/27/30/83/1352273083.db2.gz NEDNHYCXLFUHKS-UHFFFAOYSA-N -2 0 347.805 2.010 20 0 EEADRL Cc1c(NC(=O)NCCC(=O)[O-])ccc(Br)c1C(=O)[O-] ZINC001600042346 1349960581 /nfs/dbraw/zinc/96/05/81/1349960581.db2.gz FBPYQORPCWXKJT-UHFFFAOYSA-N -2 0 345.149 2.052 20 0 EEADRL Cc1cc(S(=O)(=O)[N-]C(=O)CCCCC(C)C)oc1C(=O)[O-] ZINC001600296355 1350013529 /nfs/dbraw/zinc/01/35/29/1350013529.db2.gz BRUSIONAIINQIQ-UHFFFAOYSA-N -2 0 331.390 2.308 20 0 EEADRL Cc1ccc([N-]S(=O)(=O)c2cc(C3CC3)nn2C)c(C(=O)[O-])c1 ZINC001600463546 1350057866 /nfs/dbraw/zinc/05/78/66/1350057866.db2.gz QDEUFTCXWHICLX-UHFFFAOYSA-N -2 0 335.385 2.105 20 0 EEADRL Cc1sc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)nc1C(C)C ZINC001600889540 1350160890 /nfs/dbraw/zinc/16/08/90/1350160890.db2.gz KMNOREFJXFDUEH-UHFFFAOYSA-N -2 0 343.430 2.412 20 0 EEADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC001601793256 1350365233 /nfs/dbraw/zinc/36/52/33/1350365233.db2.gz YWAYUYYHKDEXQZ-HQJQHLMTSA-N -2 0 344.726 2.261 20 0 EEADRL O=C([O-])[C@@H]1CSCCN(C(=O)c2ccc3oc(=S)[n-]c3c2)C1 ZINC001601856569 1350381461 /nfs/dbraw/zinc/38/14/61/1350381461.db2.gz QDDZISDAQRDCDI-VIFPVBQESA-N -2 0 338.410 2.006 20 0 EEADRL O=C([O-])C[C@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)c1ccncc1 ZINC001601905170 1350394432 /nfs/dbraw/zinc/39/44/32/1350394432.db2.gz ROHDAAVXTVYWCL-LBPRGKRZSA-N -2 0 343.364 2.457 20 0 EEADRL O=C([O-])CCCS(=O)(=O)N[C@H](CCc1ccccc1)C(F)F ZINC001601999391 1350414124 /nfs/dbraw/zinc/41/41/24/1350414124.db2.gz ZNPYKTWNHCKAMF-GFCCVEGCSA-N -2 0 335.372 2.037 20 0 EEADRL O=C([O-])CCN(CC(=O)[O-])Cc1csc(-c2ccc(F)cc2)n1 ZINC001602005132 1350416330 /nfs/dbraw/zinc/41/63/30/1350416330.db2.gz VMOMGFKHHXDSKQ-UHFFFAOYSA-N -2 0 338.360 2.311 20 0 EEADRL O=C([O-])CCN(CC(=O)[O-])Cc1ccc(Sc2ccccn2)o1 ZINC001602004954 1350416465 /nfs/dbraw/zinc/41/64/65/1350416465.db2.gz QUJBHJCLXOKAKO-UHFFFAOYSA-N -2 0 336.369 2.187 20 0 EEADRL O=C([O-])CCc1ccccc1C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC001602045274 1350425704 /nfs/dbraw/zinc/42/57/04/1350425704.db2.gz IEHZDEMERLTMDP-UHFFFAOYSA-N -2 0 337.339 2.136 20 0 EEADRL O=C([O-])c1ccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)s1 ZINC001602324852 1350494420 /nfs/dbraw/zinc/49/44/20/1350494420.db2.gz FNWCJNDVLKSCHT-UHFFFAOYSA-N -2 0 330.325 2.189 20 0 EEADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)/C=C\c2ccccc2)c(F)c1 ZINC001602324170 1350494465 /nfs/dbraw/zinc/49/44/65/1350494465.db2.gz CTYVMTQQRRARTM-HJWRWDBZSA-N -2 0 349.339 2.254 20 0 EEADRL O=C([O-])c1ccsc1[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC001602489507 1350531390 /nfs/dbraw/zinc/53/13/90/1350531390.db2.gz CMXPCNTZBYJYTE-UHFFFAOYSA-N -2 0 349.393 2.433 20 0 EEADRL O=C([O-])c1coc(S(=O)(=O)NC2(c3cccc(F)c3)CC2)c1 ZINC001602556958 1350545587 /nfs/dbraw/zinc/54/55/87/1350545587.db2.gz MVXSUYXLHXWKOP-UHFFFAOYSA-N -2 0 325.317 2.085 20 0 EEADRL O=C([O-])c1ncc([N-]S(=O)(=O)c2ccc(Cl)nc2)cc1Cl ZINC001602572628 1350549429 /nfs/dbraw/zinc/54/94/29/1350549429.db2.gz VAPXLOJABSVRCT-UHFFFAOYSA-N -2 0 348.167 2.282 20 0 EEADRL O=C([O-])[C@]12CN(C(=O)c3cc(F)c([O-])c(F)c3)C[C@H]1CCCC2 ZINC001602622615 1350559931 /nfs/dbraw/zinc/55/99/31/1350559931.db2.gz COYHFOOPUJWDRJ-QLJPJBMISA-N -2 0 325.311 2.387 20 0 EEADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc2ccccc2c1 ZINC001603188996 1350659153 /nfs/dbraw/zinc/65/91/53/1350659153.db2.gz PUXMKYZVRGWJBV-WDEREUQCSA-N -2 0 335.381 2.009 20 0 EEADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)/C=C\C1CCCCCC1 ZINC001603190946 1350660138 /nfs/dbraw/zinc/66/01/38/1350660138.db2.gz YURGWWCSCKEWNE-XJNROGLQSA-N -2 0 331.434 2.068 20 0 EEADRL CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC001603267195 1350675063 /nfs/dbraw/zinc/67/50/63/1350675063.db2.gz CWYHSTMFQBFCPP-NSHDSACASA-N -2 0 334.372 2.377 20 0 EEADRL CC(C)(C(=O)[O-])n1cc(NC(=O)c2ccc3[n-]c(=S)oc3c2)cn1 ZINC001603286800 1350680129 /nfs/dbraw/zinc/68/01/29/1350680129.db2.gz SPNMRXWAHPJENL-UHFFFAOYSA-N -2 0 346.368 2.385 20 0 EEADRL CC1(C)CCC[C@H](CC(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC001604527984 1350955515 /nfs/dbraw/zinc/95/55/15/1350955515.db2.gz DMWLSWLWVNMDSO-SNVBAGLBSA-N -2 0 343.401 2.389 20 0 EEADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)C1 ZINC001604653060 1350977729 /nfs/dbraw/zinc/97/77/29/1350977729.db2.gz UMSANQXKPBWMKB-ZJUUUORDSA-N -2 0 345.355 2.441 20 0 EEADRL CSc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cn1 ZINC001607409375 1351489800 /nfs/dbraw/zinc/48/98/00/1351489800.db2.gz IZFKYAITQUMYKI-UHFFFAOYSA-N -2 0 342.373 2.442 20 0 EEADRL CSc1ccc(NC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1C(=O)[O-] ZINC001607409630 1351490030 /nfs/dbraw/zinc/49/00/30/1351490030.db2.gz PWQPXJKDTYJIPD-VIFPVBQESA-N -2 0 338.385 2.435 20 0 EEADRL COc1cncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC001187548027 1368250603 /nfs/dbraw/zinc/25/06/03/1368250603.db2.gz MLGULYFONFMPCQ-UHFFFAOYSA-N -2 0 342.760 2.243 20 0 EEADRL CCOc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)no1 ZINC001188280081 1368294035 /nfs/dbraw/zinc/29/40/35/1368294035.db2.gz ZLKXLOZTFCLBHE-UHFFFAOYSA-N -2 0 346.748 2.226 20 0 EEADRL COc1cc(C=NNc2ccc(C(=O)[O-])cc2)cc([N+](=O)[O-])c1[O-] ZINC000005879706 775423443 /nfs/dbraw/zinc/42/34/43/775423443.db2.gz KXVRBJUAMICLSH-UHFFFAOYSA-N -2 0 331.284 2.453 20 0 EEADRL O=P([O-])([O-])OCCNc1cc(OC(F)(F)F)cc(Cl)n1 ZINC001168590250 790696605 /nfs/dbraw/zinc/69/66/05/790696605.db2.gz XYTHXPODDLZXNJ-UHFFFAOYSA-N -2 0 336.590 2.155 20 0 EEADRL O=C([O-])[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(Cl)cc1Cl ZINC000910186254 786518485 /nfs/dbraw/zinc/51/84/85/786518485.db2.gz PCBLCQWYRAORHL-WRWORJQWSA-N -2 0 346.166 2.383 20 0 EEADRL C/C(=C/C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])c1cccc(F)c1 ZINC000910190293 786522826 /nfs/dbraw/zinc/52/28/26/786522826.db2.gz VZMNBWIQFCIRTO-YRVUAQOOSA-N -2 0 335.331 2.005 20 0 EEADRL O=C([O-])c1cc(Nc2ccccc2N2CC[C@H](O)C2)cc(C(=O)[O-])c1 ZINC001176243802 798392569 /nfs/dbraw/zinc/39/25/69/798392569.db2.gz DKZQDXLPXAFXKH-AWEZNQCLSA-N -2 0 342.351 2.398 20 0 EEADRL COc1ccc(Nc2csc(C(=O)[O-])c2)c(S(=O)(=O)[O-])c1 ZINC001176439393 798450856 /nfs/dbraw/zinc/45/08/56/798450856.db2.gz URIDLYVNHKTLNR-UHFFFAOYSA-N -2 0 329.355 2.445 20 0 EEADRL Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n(CC2CC2)n1 ZINC001184667854 802127090 /nfs/dbraw/zinc/12/70/90/802127090.db2.gz MQRJGDVCBRZALO-UHFFFAOYSA-N -2 0 349.412 2.409 20 0 EEADRL Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2O)cc1C(=O)[O-] ZINC001184703424 802138605 /nfs/dbraw/zinc/13/86/05/802138605.db2.gz MHWRXLQBGQWVQE-UHFFFAOYSA-N -2 0 343.307 2.478 20 0 EEADRL Cc1onc(OC(F)F)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000788133549 807386668 /nfs/dbraw/zinc/38/66/68/807386668.db2.gz YUKNVNLSHVPEHP-UHFFFAOYSA-N -2 0 348.283 2.083 20 0 EEADRL CC1(C(=O)[O-])CCN(C(=O)c2cccc(Br)c2[O-])CC1 ZINC001589196759 956616612 /nfs/dbraw/zinc/61/66/12/956616612.db2.gz VLGNPMAPOLSBIU-UHFFFAOYSA-N -2 0 342.189 2.482 20 0 EEADRL O=C([O-])C1(NC(=O)c2nn(-c3ccccc3F)cc2[O-])CCCCC1 ZINC001594721472 956972033 /nfs/dbraw/zinc/97/20/33/956972033.db2.gz ASOIRTABEGHTHO-UHFFFAOYSA-N -2 0 347.346 2.234 20 0 EEADRL CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])n2)cc1C ZINC000390030255 972261760 /nfs/dbraw/zinc/26/17/60/972261760.db2.gz XRQNAKYRDPWUDR-UHFFFAOYSA-N -2 0 336.369 2.288 20 0 EEADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(OC(F)F)nc1 ZINC001198740593 960576291 /nfs/dbraw/zinc/57/62/91/960576291.db2.gz KFZVVMRZAQBZCN-UHFFFAOYSA-N -2 0 344.295 2.182 20 0 EEADRL Cc1c([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000314471704 963757816 /nfs/dbraw/zinc/75/78/16/963757816.db2.gz KPUWEWWKZYIPLS-UHFFFAOYSA-N -2 0 342.354 2.464 20 0 EEADRL CC(C)([N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000393863301 972652736 /nfs/dbraw/zinc/65/27/36/972652736.db2.gz CDDWCRYYERUIQN-UHFFFAOYSA-N -2 0 325.308 2.145 20 0 EEADRL CCC(CC)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001595105199 979420477 /nfs/dbraw/zinc/42/04/77/979420477.db2.gz DHNJBZNSWOOBCA-QMMMGPOBSA-N -2 0 333.431 2.324 20 0 EEADRL C[C@@H](Cc1ccc(NC(=O)c2ccc3oc(=O)nc-3[n-]2)cc1)C(=O)[O-] ZINC001592873192 979734750 /nfs/dbraw/zinc/73/47/50/979734750.db2.gz ROYNQKNTKSDJTQ-VIFPVBQESA-N -2 0 341.323 2.444 20 0 EEADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ncsc2C2CC2)cc1 ZINC000882771768 980204567 /nfs/dbraw/zinc/20/45/67/980204567.db2.gz RSKJHDBMCMAMIM-UHFFFAOYSA-N -2 0 338.410 2.448 20 0 EEADRL