smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC001597031977 986453747 /nfs/dbraw/zinc/45/37/47/986453747.db2.gz NCASNYCTAFYDAS-UHFFFAOYSA-N -2 0 349.408 3.201 20 0 EGADRL C[C@@H](NC(=O)c1cccc(Cl)c1[O-])[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593175201 994043788 /nfs/dbraw/zinc/04/37/88/994043788.db2.gz HMYLXXGKQGKDNI-BXUZGUMPSA-N -2 0 347.798 3.107 20 0 EGADRL C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC001594159223 998591349 /nfs/dbraw/zinc/59/13/49/998591349.db2.gz QSMZSBHFXUTAQB-VHSXEESVSA-N -2 0 333.771 3.134 20 0 EGADRL Cc1cc(S(=O)(=O)[N-]c2cccc(C)c2C)sc1C(=O)[O-] ZINC000037225787 201917565 /nfs/dbraw/zinc/91/75/65/201917565.db2.gz GOIDYAMEHFSFRC-UHFFFAOYSA-N -2 0 325.411 3.172 20 0 EGADRL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000338130333 141098463 /nfs/dbraw/zinc/09/84/63/141098463.db2.gz RWQNELGECRCKFX-UHFFFAOYSA-N -2 0 349.408 3.119 20 0 EGADRL Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000350730570 141263636 /nfs/dbraw/zinc/26/36/36/141263636.db2.gz UKTLCASCSYDTNA-UHFFFAOYSA-N -2 0 342.376 3.042 20 0 EGADRL Cc1ccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c(C)c1 ZINC000156242436 307829526 /nfs/dbraw/zinc/82/95/26/307829526.db2.gz ZZOFBHHUSXXKAC-UHFFFAOYSA-N -2 0 337.372 3.250 20 0 EGADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000007053724 453023084 /nfs/dbraw/zinc/02/30/84/453023084.db2.gz HUGRKSBRZIAOLY-UHFFFAOYSA-N -2 0 345.298 3.204 20 0 EGADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000032596993 453879261 /nfs/dbraw/zinc/87/92/61/453879261.db2.gz OLBIRCNMDWVTNZ-UHFFFAOYSA-N -2 0 343.763 3.287 20 0 EGADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)s1 ZINC000134618664 454569670 /nfs/dbraw/zinc/56/96/70/454569670.db2.gz SDUMVTAOKMWPPE-UHFFFAOYSA-N -2 0 339.438 3.265 20 0 EGADRL Cc1nc(=NC(=O)c2cc(Oc3ccccc3)ccc2[O-])s[n-]1 ZINC000436570734 458335297 /nfs/dbraw/zinc/33/52/97/458335297.db2.gz AQWFFOGPZUWQCZ-UHFFFAOYSA-N -2 0 327.365 3.019 20 0 EGADRL Cc1cc(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)sc1C ZINC000507582650 548009988 /nfs/dbraw/zinc/00/99/88/548009988.db2.gz XRVUCRGVLSJXDF-UHFFFAOYSA-N -2 0 325.411 3.172 20 0 EGADRL CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O ZINC000736298579 575929912 /nfs/dbraw/zinc/92/99/12/575929912.db2.gz BCMLNCZVUMBGIH-UHFFFAOYSA-N -2 0 349.408 3.189 20 0 EGADRL C[C@@](CC(=O)[O-])(C(=O)Nc1ccccc1C(=O)[O-])C1CCCCC1 ZINC000736548938 575982385 /nfs/dbraw/zinc/98/23/85/575982385.db2.gz GBALJTPXOFQBGT-SFHVURJKSA-N -2 0 333.384 3.385 20 0 EGADRL Cc1ccc2cccc([N-]S(=O)(=O)c3ccccc3C(=O)[O-])c2n1 ZINC000738675361 576349723 /nfs/dbraw/zinc/34/97/23/576349723.db2.gz LIZJFWXFYKAAAK-UHFFFAOYSA-N -2 0 342.376 3.042 20 0 EGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2SC(F)F)o1 ZINC000314308979 599735820 /nfs/dbraw/zinc/73/58/20/599735820.db2.gz FZDIITRPGOHDSM-UHFFFAOYSA-N -2 0 349.336 3.093 20 0 EGADRL CN=c1[n-]nc(SCc2c3ccccc3sc2C(=O)[O-])s1 ZINC000385292443 599908298 /nfs/dbraw/zinc/90/82/98/599908298.db2.gz GGIPSRAIAPBCDY-UHFFFAOYSA-N -2 0 337.451 3.207 20 0 EGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)ccc1F ZINC000074982998 599925252 /nfs/dbraw/zinc/92/52/52/599925252.db2.gz SJIJQBZWSJHRIT-UHFFFAOYSA-N -2 0 343.763 3.287 20 0 EGADRL Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)c(C)c1C ZINC000324717825 600576206 /nfs/dbraw/zinc/57/62/06/600576206.db2.gz FTPGYIZCKOMMOS-UHFFFAOYSA-N -2 0 348.424 3.123 20 0 EGADRL CCCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)cc1 ZINC000035426810 601357246 /nfs/dbraw/zinc/35/72/46/601357246.db2.gz QXGDBFROYAROLJ-UHFFFAOYSA-N -2 0 325.411 3.200 20 0 EGADRL O=C([O-])Nc1cccc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c1 ZINC000833291380 601935450 /nfs/dbraw/zinc/93/54/50/601935450.db2.gz KFNASOBBCIUPBX-UHFFFAOYSA-N -2 0 329.337 3.459 20 0 EGADRL COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(Cl)c2[O-])cc1 ZINC000833732668 605230423 /nfs/dbraw/zinc/23/04/23/605230423.db2.gz YKMZDMZHIFWYIR-AWEZNQCLSA-N -2 0 349.770 3.000 20 0 EGADRL O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2ccccc2Cl)cc1F ZINC000317734451 1297147421 /nfs/dbraw/zinc/14/74/21/1297147421.db2.gz RVKZOCUPWLYFQR-UHFFFAOYSA-N -2 0 347.726 3.117 20 0 EGADRL Cc1cc(S(=O)(=O)[N-]c2ccsc2)cc(C(=O)[O-])c1Cl ZINC000759100676 1301014798 /nfs/dbraw/zinc/01/47/98/1301014798.db2.gz FMHUEQWSSRPHNU-UHFFFAOYSA-N -2 0 331.802 3.209 20 0 EGADRL Cc1ccc(S(=O)(=O)[N-]c2cccc3ncsc32)cc1C(=O)[O-] ZINC001184695748 1387512159 /nfs/dbraw/zinc/51/21/59/1387512159.db2.gz GKOGDTJPNCRAQY-UHFFFAOYSA-N -2 0 348.405 3.104 20 0 EGADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc2ccsc2c1 ZINC001185877982 1387822610 /nfs/dbraw/zinc/82/26/10/1387822610.db2.gz XDKUVSWFJSXUKY-UHFFFAOYSA-N -2 0 348.405 3.104 20 0 EGADRL CC(C)c1cccc(C(C)C)c1NC(=O)NCCOP(=O)([O-])[O-] ZINC001191653126 1367553823 /nfs/dbraw/zinc/55/38/23/1367553823.db2.gz HZRIUMYWZCIDGD-UHFFFAOYSA-N -2 0 344.348 3.164 20 0 EGADRL Cc1ccnc2c([N-]S(=O)(=O)c3ccccc3C(=O)[O-])cccc12 ZINC001198782363 1369113540 /nfs/dbraw/zinc/11/35/40/1369113540.db2.gz IQODRCSEZXLGCX-UHFFFAOYSA-N -2 0 342.376 3.042 20 0 EGADRL Cc1ccc(Nc2ccc(S(=O)(=O)[O-])cc2Cl)cc1C(=O)[O-] ZINC001211606249 1372589652 /nfs/dbraw/zinc/58/96/52/1372589652.db2.gz KFEQIWIZCGUCHB-UHFFFAOYSA-N -2 0 341.772 3.337 20 0 EGADRL CCOC(=O)[C@@H](Cc1ccccn1)Nc1cc([S-])cc([S-])c1 ZINC001170840232 1384396076 /nfs/dbraw/zinc/39/60/76/1384396076.db2.gz ZOGMNRDBZZYWRF-OAHLLOKOSA-N -2 0 334.466 3.245 20 0 EGADRL Cc1ccc(C(=O)[O-])cc1Nc1ccc(Cl)cc1S(=O)(=O)[O-] ZINC001174982212 1385178279 /nfs/dbraw/zinc/17/82/79/1385178279.db2.gz KPXCFAIOJIVRBY-UHFFFAOYSA-N -2 0 341.772 3.337 20 0 EGADRL O=C([O-])c1cc(Nc2cc(F)c(F)c(F)c2F)cc(C(=O)[O-])c1 ZINC001176241830 1385524645 /nfs/dbraw/zinc/52/46/45/1385524645.db2.gz ZULAOCOZCAJBMH-UHFFFAOYSA-N -2 0 329.205 3.383 20 0 EGADRL CCOC(=O)c1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1F ZINC001176245457 1385525405 /nfs/dbraw/zinc/52/54/05/1385525405.db2.gz ZZYPAWIJEDQLJS-UHFFFAOYSA-N -2 0 347.298 3.142 20 0 EGADRL Cc1cc2cc(C(=O)Nc3cc(-c4nnn[n-]4)ccc3O)oc2cc1C ZINC000822213064 1447231662 /nfs/dbraw/zinc/23/16/62/1447231662.db2.gz SITPSEGVMWJMLV-UHFFFAOYSA-N -2 0 349.350 3.188 20 0 EGADRL CC(C)(C)CC[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)C(=O)[O-] ZINC001573395996 958719023 /nfs/dbraw/zinc/71/90/23/958719023.db2.gz SEHVXLMDLHVBKF-LLVKDONJSA-N -2 0 331.771 3.194 20 0 EGADRL CC(C)(C)[C@H](C(=O)[O-])C(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC001588634290 959636390 /nfs/dbraw/zinc/63/63/90/959636390.db2.gz OCHDMOWJXJGCTC-NSHDSACASA-N -2 0 333.306 3.000 20 0 EGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)sc1Cl ZINC000231806638 960205896 /nfs/dbraw/zinc/20/58/96/960205896.db2.gz WKNKVTWFZWTYAY-UHFFFAOYSA-N -2 0 337.831 3.270 20 0 EGADRL CCCOc1ccccc1[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000315701765 963928120 /nfs/dbraw/zinc/92/81/20/963928120.db2.gz VROPTBCRCUGYCZ-UHFFFAOYSA-N -2 0 341.410 3.036 20 0 EGADRL O=C([O-])CCCc1csc(NC(=O)c2cc(O)ccc2Cl)n1 ZINC000319660594 970558882 /nfs/dbraw/zinc/55/88/82/970558882.db2.gz QOBRXLDNHMRWDD-UHFFFAOYSA-N -2 0 340.788 3.162 20 0 EGADRL Cc1cc(NC(=O)c2cc(F)c(F)c([O-])c2F)ccc1C(=O)[O-] ZINC000320187034 970627726 /nfs/dbraw/zinc/62/77/26/970627726.db2.gz ALXVSLQYBCWQMG-UHFFFAOYSA-N -2 0 325.242 3.068 20 0 EGADRL CC(C)n1ncc2c1nc(/C=C/c1ccoc1C(=O)[O-])cc2C(=O)[O-] ZINC001592159012 977040678 /nfs/dbraw/zinc/04/06/78/977040678.db2.gz WZEZXQGFRJSHFQ-ONEGZZNKSA-N -2 0 341.323 3.172 20 0 EGADRL CCC(CC)(CC(=O)[O-])NC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001595053519 979287043 /nfs/dbraw/zinc/28/70/43/979287043.db2.gz VLAGTSFXBDYHOQ-UHFFFAOYSA-N -2 0 333.306 3.174 20 0 EGADRL O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cc(Cl)cc(Cl)c1[O-] ZINC000273416706 267036717 /nfs/dbraw/zinc/03/67/17/267036717.db2.gz NWIAWIPDMPQLLT-VIFPVBQESA-N -2 0 340.228 3.010 20 0 EGADRL O=C([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000013263475 275120840 /nfs/dbraw/zinc/12/08/40/275120840.db2.gz CHGSRKCQQAAKIA-UHFFFAOYSA-N -2 0 346.191 3.492 20 0 EGADRL O=C([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000013269204 275120934 /nfs/dbraw/zinc/12/09/34/275120934.db2.gz KLLCNXFNORFRMT-UHFFFAOYSA-N -2 0 347.726 3.117 20 0 EGADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c1 ZINC000124448048 307548681 /nfs/dbraw/zinc/54/86/81/307548681.db2.gz SFGXVOKGNWQZOE-UHFFFAOYSA-N -2 0 339.800 3.456 20 0 EGADRL CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000321004278 308767591 /nfs/dbraw/zinc/76/75/91/308767591.db2.gz RDFOTZRZYGPZSA-UHFFFAOYSA-N -2 0 337.372 3.448 20 0 EGADRL Cc1c([N-]S(=O)(=O)c2cnc3ccccc3c2)cccc1C(=O)[O-] ZINC000430978492 309622710 /nfs/dbraw/zinc/62/27/10/309622710.db2.gz PBRMARYVBOOAAC-UHFFFAOYSA-N -2 0 342.376 3.042 20 0 EGADRL Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000436174531 309748630 /nfs/dbraw/zinc/74/86/30/309748630.db2.gz JMFLFVOFIIMTEW-UHFFFAOYSA-N -2 0 336.394 3.037 20 0 EGADRL COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc(C)cc1C(=O)[O-] ZINC000509076420 312108899 /nfs/dbraw/zinc/10/88/99/312108899.db2.gz WCYKZGZUTSLSJA-UHFFFAOYSA-N -2 0 349.408 3.119 20 0 EGADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2c(C)ccc(F)c2C(=O)[O-])c1 ZINC000548529891 315022212 /nfs/dbraw/zinc/02/22/12/315022212.db2.gz MSIFKHZFVOTWMM-UHFFFAOYSA-N -2 0 341.335 3.081 20 0 EGADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])c(Cl)c1 ZINC000058355004 454191658 /nfs/dbraw/zinc/19/16/58/454191658.db2.gz GQRRTSLEHGBYAM-UHFFFAOYSA-N -2 0 339.800 3.456 20 0 EGADRL CC(F)(F)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000188559946 456084636 /nfs/dbraw/zinc/08/46/36/456084636.db2.gz NTRYMWYEENAREI-UHFFFAOYSA-N -2 0 347.364 3.359 20 0 EGADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000337765369 456532899 /nfs/dbraw/zinc/53/28/99/456532899.db2.gz SCSOMFCIJMEPBF-UHFFFAOYSA-N -2 0 342.376 3.042 20 0 EGADRL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000356474606 457009387 /nfs/dbraw/zinc/00/93/87/457009387.db2.gz GQHOUTXUVZFIPV-UHFFFAOYSA-N -2 0 341.335 3.081 20 0 EGADRL CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(O)c1 ZINC000443529659 457776455 /nfs/dbraw/zinc/77/64/55/457776455.db2.gz LWALKEGRRIOGRK-UHFFFAOYSA-N -2 0 349.408 3.189 20 0 EGADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cccc3ccccc32)c1 ZINC000531384304 458909914 /nfs/dbraw/zinc/90/99/14/458909914.db2.gz HKLGUXNNGKNTFV-UHFFFAOYSA-N -2 0 345.351 3.478 20 0 EGADRL O=C([O-])c1cc(-c2ccc3c(c2)CC[C@@]32C[C@H]2C(=O)[O-])ccc1F ZINC000566494733 458948622 /nfs/dbraw/zinc/94/86/22/458948622.db2.gz OOFROMBZESBKSI-HNAYVOBHSA-N -2 0 326.323 3.479 20 0 EGADRL CCCc1ccc([N-]S(=O)(=O)c2ccccc2OC)c(C(=O)[O-])c1 ZINC000614814772 460229160 /nfs/dbraw/zinc/22/91/60/460229160.db2.gz XNZJASBXRRXXRL-UHFFFAOYSA-N -2 0 349.408 3.147 20 0 EGADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)c1 ZINC000507619342 548009838 /nfs/dbraw/zinc/00/98/38/548009838.db2.gz GMGWAAPRNCDOSD-UHFFFAOYSA-N -2 0 339.800 3.456 20 0 EGADRL CCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000737275506 576197233 /nfs/dbraw/zinc/19/72/33/576197233.db2.gz XDSOIHDOOUUILK-UHFFFAOYSA-N -2 0 341.335 3.026 20 0 EGADRL Cc1oc(S(=O)(=O)[N-]c2ccc(C)cc2Cl)cc1C(=O)[O-] ZINC000832953020 601231257 /nfs/dbraw/zinc/23/12/57/601231257.db2.gz XLVHCEXVFQCCPU-UHFFFAOYSA-N -2 0 329.761 3.049 20 0 EGADRL Cc1cc([N-]S(=O)(=O)c2cc(C)cc(F)c2)sc1C(=O)[O-] ZINC000832888519 601321228 /nfs/dbraw/zinc/32/12/28/601321228.db2.gz WZUCNACPWICKNE-UHFFFAOYSA-N -2 0 329.374 3.003 20 0 EGADRL O=C([O-])c1ccc(CNC(=O)c2c([O-])cc(Cl)cc2Cl)cc1 ZINC000833315103 601387599 /nfs/dbraw/zinc/38/75/99/601387599.db2.gz SOGFKXBGFIOMIH-UHFFFAOYSA-N -2 0 340.162 3.327 20 0 EGADRL Cc1ccc2nc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)sc2c1 ZINC000074932357 601481440 /nfs/dbraw/zinc/48/14/40/601481440.db2.gz NSLLLUWHLUHPSK-UHFFFAOYSA-N -2 0 348.405 3.104 20 0 EGADRL Cc1cc(S(=O)(=O)[N-]c2cccc(NC(=O)[O-])c2)c(F)cc1F ZINC000832904551 601831308 /nfs/dbraw/zinc/83/13/08/601831308.db2.gz RWGDZVGBIKCPSW-UHFFFAOYSA-N -2 0 342.323 3.164 20 0 EGADRL C[C@H](Oc1ccc(/C=C/c2ncc(/C=C/C(=O)[O-])s2)cc1)C(=O)[O-] ZINC000794700218 602112250 /nfs/dbraw/zinc/11/22/50/602112250.db2.gz HMWPUGBSIQTOLZ-WAPUTDMZSA-N -2 0 345.376 3.263 20 0 EGADRL O=C([O-])CCCc1ccccc1-c1ccccc1[C@@H](O)CC(=O)[O-] ZINC000849474692 1322122707 /nfs/dbraw/zinc/12/27/07/1322122707.db2.gz DSRUMSDJSWWWOQ-KRWDZBQOSA-N -2 0 328.364 3.269 20 0 EGADRL CCC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184703605 1387514866 /nfs/dbraw/zinc/51/48/66/1387514866.db2.gz PPZNMEXVXDNHJP-UHFFFAOYSA-N -2 0 347.392 3.087 20 0 EGADRL C[C@@H]1C[C@@H](NC(=O)c2ccccc2OP(=O)([O-])[O-])CC(C)(C)C1 ZINC001189899401 1367126169 /nfs/dbraw/zinc/12/61/69/1367126169.db2.gz ASNFAUINYRZWIW-VXGBXAGGSA-N -2 0 341.344 3.103 20 0 EGADRL Cc1cc(C)c(NC(=O)c2cccc([S-])c2)c(S(=O)(=O)[O-])c1 ZINC001186153118 1387883859 /nfs/dbraw/zinc/88/38/59/1387883859.db2.gz VICONLMLLIQRHG-UHFFFAOYSA-N -2 0 337.422 3.091 20 0 EGADRL Cc1cnc(F)c([C@@H](C)Oc2ccc(OP(=O)([O-])[O-])cc2)c1 ZINC001234332057 1376812155 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CSc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000316707388 154158575 /nfs/dbraw/zinc/15/85/75/154158575.db2.gz CVYPFZYURHUKEV-UHFFFAOYSA-N -2 0 341.385 3.047 20 0 EGADRL COc1ccccc1S(=O)(=O)[N-]c1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000325950047 154182683 /nfs/dbraw/zinc/18/26/83/154182683.db2.gz DEBZUQCZDHADCM-GFCCVEGCSA-N -2 0 349.408 3.074 20 0 EGADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1scnc1C(C)C ZINC000451101157 310160595 /nfs/dbraw/zinc/16/05/95/310160595.db2.gz ASBQPAOOEPTICV-UHFFFAOYSA-N -2 0 340.426 3.074 20 0 EGADRL O=C([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000036385042 453928140 /nfs/dbraw/zinc/92/81/40/453928140.db2.gz CEPRHJHHKLRPBM-UHFFFAOYSA-N -2 0 347.726 3.117 20 0 EGADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2OC(C)C)cc1C(=O)[O-] ZINC000042791643 454025696 /nfs/dbraw/zinc/02/56/96/454025696.db2.gz DYXYNHZVVCNKQZ-UHFFFAOYSA-N -2 0 349.408 3.281 20 0 EGADRL Cc1cc(C)c([N-]S(=O)(=O)c2cccc(C)c2F)c(C(=O)[O-])c1 ZINC000313215035 456597519 /nfs/dbraw/zinc/59/75/19/456597519.db2.gz FMFAQKLIOQNMLY-UHFFFAOYSA-N -2 0 337.372 3.250 20 0 EGADRL Cc1cccc([N-]S(=O)(=O)c2cccc3cccnc32)c1C(=O)[O-] ZINC000342271153 457201708 /nfs/dbraw/zinc/20/17/08/457201708.db2.gz GNESVSKXHMTQPU-UHFFFAOYSA-N -2 0 342.376 3.042 20 0 EGADRL Cc1ccsc1S(=O)(=O)[N-]c1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000342438666 457304810 /nfs/dbraw/zinc/30/48/10/457304810.db2.gz PEVKPYJBOFGSQT-NSHDSACASA-N -2 0 339.438 3.436 20 0 EGADRL O=C(N=c1nc(-c2ccccc2)[n-]s1)c1ccc(Cl)cc1[O-] ZINC000436796194 458381634 /nfs/dbraw/zinc/38/16/34/458381634.db2.gz ILHWFIVHKKEGEQ-UHFFFAOYSA-N -2 0 331.784 3.238 20 0 EGADRL Cc1cccc(C[C@H](CNC(=O)c2ccc([O-])c(Cl)c2)C(=O)[O-])c1 ZINC000738711709 575248298 /nfs/dbraw/zinc/24/82/98/575248298.db2.gz NZFARVVXUKSKKB-CQSZACIVSA-N -2 0 347.798 3.027 20 0 EGADRL CCCn1ccc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)ccc21 ZINC000737051285 576091409 /nfs/dbraw/zinc/09/14/09/576091409.db2.gz QAXFMBSLLRLFPI-UHFFFAOYSA-N -2 0 348.380 3.143 20 0 EGADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C(=O)[O-])cc2)c(F)c1 ZINC000738295588 576311489 /nfs/dbraw/zinc/31/14/89/576311489.db2.gz RLDODGPZHSLPCB-UHFFFAOYSA-N -2 0 338.360 3.049 20 0 EGADRL O=C([O-])[C@@H]1CN(C(=O)c2ccc3ccccc3c2O)c2ccccc21 ZINC000327515692 600220239 /nfs/dbraw/zinc/22/02/39/600220239.db2.gz HJUMMBFPBDOVQR-MRXNPFEDSA-N -2 0 333.343 3.374 20 0 EGADRL C[C@H](CN(Cc1ccccc1)C(=O)c1ccc([O-])c(Cl)c1)C(=O)[O-] ZINC000827454479 600724232 /nfs/dbraw/zinc/72/42/32/600724232.db2.gz ADQXOGKQANPUBX-GFCCVEGCSA-N -2 0 347.798 3.409 20 0 EGADRL Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000063876892 601829523 /nfs/dbraw/zinc/82/95/23/601829523.db2.gz WMFINZHGZTWNNM-UHFFFAOYSA-N -2 0 343.763 3.287 20 0 EGADRL O=C([O-])c1csc([N-]S(=O)(=O)c2cccc3c2CCCC3)c1 ZINC000833343697 602116525 /nfs/dbraw/zinc/11/65/25/602116525.db2.gz MKOMFUGYRLQBGL-UHFFFAOYSA-N -2 0 337.422 3.126 20 0 EGADRL O=C([O-])C[C@H]1CCCN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000833211954 604671849 /nfs/dbraw/zinc/67/18/49/604671849.db2.gz PJUMTCYQKVGHFS-SNVBAGLBSA-N -2 0 333.771 3.278 20 0 EGADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c(C)c1 ZINC000159892195 1294249791 /nfs/dbraw/zinc/24/97/91/1294249791.db2.gz OLSIOSLXDWNPOK-UHFFFAOYSA-N -2 0 341.335 3.081 20 0 EGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3ccccc3c2)c(F)c1 ZINC000325693608 1297229608 /nfs/dbraw/zinc/22/96/08/1297229608.db2.gz SWAXLNQNSWWEAN-UHFFFAOYSA-N -2 0 345.351 3.478 20 0 EGADRL O=P([O-])([O-])Oc1ccc(O[C@H](c2cccnc2)C(F)(F)F)cc1 ZINC001234332278 1376813450 /nfs/dbraw/zinc/81/34/50/1376813450.db2.gz NRYDOWVRKIPPGT-GFCCVEGCSA-N -2 0 349.201 3.236 20 0 EGADRL O=C([O-])c1cc(Nc2cc(OC(F)(F)F)ccn2)cc(C(=O)[O-])c1 ZINC001176237417 1385522910 /nfs/dbraw/zinc/52/29/10/1385522910.db2.gz GVNAVYXOYZMFTQ-UHFFFAOYSA-N -2 0 342.229 3.120 20 0 EGADRL CC1(c2ccc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)cc2)COC1 ZINC001176243959 1385524570 /nfs/dbraw/zinc/52/45/70/1385524570.db2.gz NKBCURQJXBKFPM-UHFFFAOYSA-N -2 0 327.336 3.115 20 0 EGADRL CC1(C)Oc2ccc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)cc2O1 ZINC001176241221 1385524851 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EGADRL C[C@H](Oc1cccc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)c1)C(=O)[O-] ZINC000062692773 957604457 /nfs/dbraw/zinc/60/44/57/957604457.db2.gz KTKIGNNIQFZAIL-PMDBQALLSA-N -2 0 340.331 3.133 20 0 EGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(F)(F)F ZINC000390907429 972307436 /nfs/dbraw/zinc/30/74/36/972307436.db2.gz LTGMWFXQNAEXFA-UHFFFAOYSA-N -2 0 349.286 3.106 20 0 EGADRL O=C([O-])c1cc(NC(=O)c2cc(F)c(F)c([O-])c2F)ccc1Cl ZINC000319757319 970569665 /nfs/dbraw/zinc/56/96/65/970569665.db2.gz ZRZIUMHCNKVHAC-UHFFFAOYSA-N -2 0 345.660 3.413 20 0 EGADRL C[C@@H](CN(Cc1ccccc1)C(=O)c1ccc(Cl)c([O-])c1)C(=O)[O-] ZINC001592604708 978546202 /nfs/dbraw/zinc/54/62/02/978546202.db2.gz BAJSRWSAPZAFCF-LBPRGKRZSA-N -2 0 347.798 3.409 20 0 EGADRL C[C@H](C(=O)[O-])c1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)cc1 ZINC001589505318 987119778 /nfs/dbraw/zinc/11/97/78/987119778.db2.gz WPDGJCRDTQTLEI-LBPRGKRZSA-N -2 0 333.384 3.238 20 0 EGADRL CCc1cccc(CC)c1[N-]S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001597585783 988398828 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KJVVUJWGGUKCAP-UHFFFAOYSA-N -2 0 325.368 3.229 20 0 EGADRL O=C([O-])[C@H]1C[C@@H](N=c2nc(C3CCCC3)[n-]s2)c2ccccc21 ZINC000649403439 462500994 /nfs/dbraw/zinc/50/09/94/462500994.db2.gz DLLBALYHFYXSPT-UONOGXRCSA-N -2 0 329.425 3.343 20 0 EGADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)c(F)c1 ZINC000738655290 576346981 /nfs/dbraw/zinc/34/69/81/576346981.db2.gz PISCOOMBGSVGEX-UHFFFAOYSA-N -2 0 342.323 3.164 20 0 EGADRL Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)sc1C(=O)[O-] ZINC000021007960 599874862 /nfs/dbraw/zinc/87/48/62/599874862.db2.gz DCMFRWRPKBTFDT-UHFFFAOYSA-N -2 0 331.802 3.209 20 0 EGADRL O=C([O-])C[C@H]1CN(C(=O)c2c([O-])cccc2Cl)c2ccccc21 ZINC000833218156 600764126 /nfs/dbraw/zinc/76/41/26/600764126.db2.gz SYUATGNAFGLUOG-JTQLQIEISA-N -2 0 331.755 3.264 20 0 EGADRL CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)cc1 ZINC000828611741 600828991 /nfs/dbraw/zinc/82/89/91/600828991.db2.gz CVHUZKPVACMRNW-UHFFFAOYSA-N -2 0 348.424 3.268 20 0 EGADRL O=C([O-])c1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)[O-])[nH]1 ZINC000833312886 601331251 /nfs/dbraw/zinc/33/12/51/601331251.db2.gz ZGHNUDMFRLWMDO-KTKRTIGZSA-N -2 0 334.331 3.446 20 0 EGADRL O=C([O-])C1(CNC(=O)c2c([O-])cc(Cl)cc2Cl)CCCC1 ZINC000833135444 601758781 /nfs/dbraw/zinc/75/87/81/601758781.db2.gz PURFLVJMKWLIDN-UHFFFAOYSA-N -2 0 332.183 3.074 20 0 EGADRL O=C([O-])c1cc(/C=C2\CCc3c2nc2ccccc2c3C(=O)[O-])c[nH]1 ZINC000833298105 601791614 /nfs/dbraw/zinc/79/16/14/601791614.db2.gz NOZDFYGZZOETGR-YRNVUSSQSA-N -2 0 334.331 3.446 20 0 EGADRL O=C([O-])CCC1CCN(C(=O)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000833224325 601823310 /nfs/dbraw/zinc/82/33/10/601823310.db2.gz IOEUYSWZFYKYBP-UHFFFAOYSA-N -2 0 346.210 3.416 20 0 EGADRL O=C([O-])c1csc([N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000833343373 602116586 /nfs/dbraw/zinc/11/65/86/602116586.db2.gz BNEMNBPIEIEMDM-UHFFFAOYSA-N -2 0 335.765 3.040 20 0 EGADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)c(C)c1 ZINC000832874114 602117932 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/nfs/dbraw/zinc/93/61/79/1303936179.db2.gz GTUQFFWRUIQBNX-UHFFFAOYSA-N -2 0 348.355 3.114 20 0 EGADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc3cccnc32)cc1 ZINC000821106088 1319999514 /nfs/dbraw/zinc/99/95/14/1319999514.db2.gz CBLSEZPXIIEQOM-UHFFFAOYSA-N -2 0 342.376 3.042 20 0 EGADRL O=S(=O)([N-]c1ccc([S-])cc1)c1ccc(C(F)(F)F)cn1 ZINC001194301661 1368226355 /nfs/dbraw/zinc/22/63/55/1368226355.db2.gz BULNFTWDLOBIOZ-UHFFFAOYSA-N -2 0 334.344 3.190 20 0 EGADRL Cc1ccc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])cc1C(=O)[O-] ZINC001211603820 1372589074 /nfs/dbraw/zinc/58/90/74/1372589074.db2.gz GCBYRWWSPYTJMK-UHFFFAOYSA-N -2 0 341.772 3.337 20 0 EGADRL O=C([O-])c1cc(Cl)cc(Nc2ccc(S(=O)(=O)[O-])cc2)c1 ZINC001211967038 1372641982 /nfs/dbraw/zinc/64/19/82/1372641982.db2.gz SHHVDCZBNXJKQW-UHFFFAOYSA-N -2 0 327.745 3.029 20 0 EGADRL O=P([O-])([O-])OCCNc1ccc2c(Cl)ccc(Cl)c2n1 ZINC001157796030 1381035850 /nfs/dbraw/zinc/03/58/50/1381035850.db2.gz RXZYWCCEUUGNDJ-UHFFFAOYSA-N -2 0 337.099 3.063 20 0 EGADRL O=C([O-])c1cc(Nc2cncc(-c3ccccn3)c2)cc(C(=O)[O-])c1 ZINC001176236726 1385523327 /nfs/dbraw/zinc/52/33/27/1385523327.db2.gz DBVXILHEURVHOD-UHFFFAOYSA-N -2 0 335.319 3.284 20 0 EGADRL O=C([O-])c1cc(Nc2cccnc2-c2ccccn2)cc(C(=O)[O-])c1 ZINC001176239510 1385524031 /nfs/dbraw/zinc/52/40/31/1385524031.db2.gz ZIDLWIYCENRXRY-UHFFFAOYSA-N -2 0 335.319 3.284 20 0 EGADRL O=C([O-])c1cc(Nc2ccc3[nH]c(=O)sc3c2)cc(C(=O)[O-])c1 ZINC001176241444 1385524590 /nfs/dbraw/zinc/52/45/90/1385524590.db2.gz HJQJCWMRECUDQJ-UHFFFAOYSA-N -2 0 330.321 3.142 20 0 EGADRL COc1cc(C)c(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1OC ZINC001176241489 1385524641 /nfs/dbraw/zinc/52/46/41/1385524641.db2.gz IUJRRZLAUKILIR-UHFFFAOYSA-N -2 0 331.324 3.152 20 0 EGADRL Cc1nn(C)c2cc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)ccc12 ZINC001176242428 1385524912 /nfs/dbraw/zinc/52/49/12/1385524912.db2.gz WVUFXBXFVXINLX-UHFFFAOYSA-N -2 0 325.324 3.022 20 0 EGADRL O=C([O-])c1cc(NC(=O)c2c([O-])cc(Cl)cc2Cl)ccc1O ZINC001574790001 957803871 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Cc1cc([N-]S(=O)(=O)c2ccc(Cl)s2)sc1C(=O)[O-] ZINC000037374415 213141370 /nfs/dbraw/zinc/14/13/70/213141370.db2.gz HQAQUPNVANTMQU-UHFFFAOYSA-N -2 0 337.831 3.270 20 0 EGADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])s1 ZINC000314665908 154156361 /nfs/dbraw/zinc/15/63/61/154156361.db2.gz CCGCFGNSVJCFQP-UHFFFAOYSA-N -2 0 325.411 3.172 20 0 EGADRL Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2Cl)ccc1C(=O)[O-] ZINC000318344187 154160050 /nfs/dbraw/zinc/16/00/50/154160050.db2.gz ZRLYYOJGWMSZTA-UHFFFAOYSA-N -2 0 343.763 3.287 20 0 EGADRL Cc1ccc(S(=O)(=O)[N-]c2scnc2C(C)C)cc1C(=O)[O-] ZINC000451108103 310161028 /nfs/dbraw/zinc/16/10/28/310161028.db2.gz RSIOFXWEJJOAFP-UHFFFAOYSA-N -2 0 340.426 3.074 20 0 EGADRL CCc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)ccc1F ZINC000507584196 312079037 /nfs/dbraw/zinc/07/90/37/312079037.db2.gz OUZZOJCIYXDQFJ-UHFFFAOYSA-N -2 0 341.335 3.026 20 0 EGADRL COc1ccccc1S(=O)(=O)[N-]c1c(C(=O)[O-])cccc1C(C)C ZINC000511239463 312157308 /nfs/dbraw/zinc/15/73/08/312157308.db2.gz FCYRXXKFAWDJMP-UHFFFAOYSA-N -2 0 349.408 3.318 20 0 EGADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c1Cl ZINC000539407721 314312135 /nfs/dbraw/zinc/31/21/35/314312135.db2.gz MKEOJZHSCYQXLP-UHFFFAOYSA-N -2 0 325.773 3.147 20 0 EGADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc3ccsc32)c1 ZINC000386668429 324268836 /nfs/dbraw/zinc/26/88/36/324268836.db2.gz UWWOXPLFWNSAOO-UHFFFAOYSA-N -2 0 333.390 3.400 20 0 EGADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084920184 454015448 /nfs/dbraw/zinc/01/54/48/454015448.db2.gz OKBBYUWVYPCWKE-UHFFFAOYSA-N -2 0 331.349 3.240 20 0 EGADRL CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000045946311 454198969 /nfs/dbraw/zinc/19/89/69/454198969.db2.gz JQORHULABPGNIS-UHFFFAOYSA-N -2 0 349.408 3.201 20 0 EGADRL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(F)cc2F)c(C(=O)[O-])c1 ZINC000060360628 454281317 /nfs/dbraw/zinc/28/13/17/454281317.db2.gz JXPOMLKIDTYPRT-UHFFFAOYSA-N -2 0 341.335 3.081 20 0 EGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)sc1C ZINC000091019223 454363246 /nfs/dbraw/zinc/36/32/46/454363246.db2.gz OBTJJOSPLYDUKW-UHFFFAOYSA-N -2 0 329.374 3.003 20 0 EGADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000096697658 454376474 /nfs/dbraw/zinc/37/64/74/454376474.db2.gz ACSZTFSGALEMBA-UHFFFAOYSA-N -2 0 349.408 3.119 20 0 EGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)c(C)o1 ZINC000182825886 455172503 /nfs/dbraw/zinc/17/25/03/455172503.db2.gz UEWTUBHWWMGRIM-UHFFFAOYSA-N -2 0 337.397 3.105 20 0 EGADRL Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2F)cc1C(=O)[O-] ZINC000340739838 456659539 /nfs/dbraw/zinc/65/95/39/456659539.db2.gz MRNCKRQZOKDIQD-UHFFFAOYSA-N -2 0 343.763 3.287 20 0 EGADRL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000348445523 456690844 /nfs/dbraw/zinc/69/08/44/456690844.db2.gz DSBFDVWKMLOVTB-UHFFFAOYSA-N -2 0 349.339 3.379 20 0 EGADRL Cc1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1OC(C)C ZINC000410398726 457640472 /nfs/dbraw/zinc/64/04/72/457640472.db2.gz AQPQZZGAIULJIE-UHFFFAOYSA-N -2 0 349.408 3.281 20 0 EGADRL Cc1ccc([N-]S(=O)(=O)c2c(F)cccc2Cl)c(C(=O)[O-])c1 ZINC000463525048 458709572 /nfs/dbraw/zinc/70/95/72/458709572.db2.gz SVKQRPFORXCASY-UHFFFAOYSA-N -2 0 343.763 3.287 20 0 EGADRL O=C([O-])C[C@@H]1CCCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C1 ZINC000647220434 461569195 /nfs/dbraw/zinc/56/91/95/461569195.db2.gz JFKYLBFRHRBFBQ-QMMMGPOBSA-N -2 0 332.183 3.026 20 0 EGADRL Cc1cc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)cc(C(=O)[O-])c1 ZINC000350484160 547664481 /nfs/dbraw/zinc/66/44/81/547664481.db2.gz WUGMFBVERBOUMM-UHFFFAOYSA-N -2 0 348.355 3.114 20 0 EGADRL C[C@H](CCC1CCCCC1)NS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736564050 575985448 /nfs/dbraw/zinc/98/54/48/575985448.db2.gz WKJINNZGBHJIRR-LLVKDONJSA-N -2 0 329.418 3.005 20 0 EGADRL Cc1cc(NC(=O)CC2(C(=O)[O-])CCCCCC2)ccc1C(=O)[O-] ZINC000738426265 576324289 /nfs/dbraw/zinc/32/42/89/576324289.db2.gz WOYGRGNGKVXYEF-UHFFFAOYSA-N -2 0 333.384 3.447 20 0 EGADRL O=C([O-])c1cccc2c1CCCN2Cc1nc(=O)c2sccc2[n-]1 ZINC000324323556 600085487 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CC(C)Sc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833507985 605187137 /nfs/dbraw/zinc/18/71/37/605187137.db2.gz FMCPMOCBHJGTBW-UHFFFAOYSA-N -2 0 341.410 3.279 20 0 EGADRL Cc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000156267713 1294135989 /nfs/dbraw/zinc/13/59/89/1294135989.db2.gz QWIRDFXXFFQJPZ-UHFFFAOYSA-N -2 0 337.372 3.250 20 0 EGADRL Cc1cc(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)c1 ZINC000770476361 1303274559 /nfs/dbraw/zinc/27/45/59/1303274559.db2.gz DRMXAWYQTWFWFM-UHFFFAOYSA-N -2 0 341.335 3.081 20 0 EGADRL O=C(Nc1cc(F)cc(Cl)c1[O-])c1n[n-]c2ccccc2c1=O ZINC000771510386 1303414929 /nfs/dbraw/zinc/41/49/29/1303414929.db2.gz ILSKTORGMWGGQT-UHFFFAOYSA-N -2 0 333.706 3.086 20 0 EGADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cncc(C2CCC2)c1 ZINC001185879993 1387824007 /nfs/dbraw/zinc/82/40/07/1387824007.db2.gz YAXAOOKWGNXQJP-UHFFFAOYSA-N -2 0 346.408 3.157 20 0 EGADRL O=C([O-])c1cc(-c2nc[n-]c3nc(=S)sc2-3)cc(F)c1F ZINC001206017620 1370938876 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ZINC000519643650 458981284 /nfs/dbraw/zinc/98/12/84/458981284.db2.gz CGFOLQUJLDYNHM-UHFFFAOYSA-N -2 0 349.456 3.113 20 0 EGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)c(F)c1 ZINC000442853597 459046484 /nfs/dbraw/zinc/04/64/84/459046484.db2.gz UWIOPTBXEALJFU-UHFFFAOYSA-N -2 0 335.312 3.071 20 0 EGADRL CO[C@H](CS(=O)(=O)[N-]c1cc(F)cc(F)c1[O-])C1CCCCC1 ZINC000641692904 461321840 /nfs/dbraw/zinc/32/18/40/461321840.db2.gz TWISCSCRBBRKNX-CQSZACIVSA-N -2 0 349.399 3.007 20 0 EGADRL Cc1cc([N-]S(=O)(=O)c2cccc3cccnc32)cc(C(=O)[O-])c1 ZINC000507561691 548009118 /nfs/dbraw/zinc/00/91/18/548009118.db2.gz BOORIRAXEJGLBA-UHFFFAOYSA-N -2 0 342.376 3.042 20 0 EGADRL CC1(C)Cc2ccc(C(=O)Nc3cccc(NC(=O)[O-])c3)c(O)c2O1 ZINC000736737243 576016233 /nfs/dbraw/zinc/01/62/33/576016233.db2.gz KYWGZQWMYLIPBT-UHFFFAOYSA-N -2 0 342.351 3.448 20 0 EGADRL Cc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000738687761 576351305 /nfs/dbraw/zinc/35/13/05/576351305.db2.gz APDBFRPSFFLBBS-UHFFFAOYSA-N -2 0 341.335 3.081 20 0 EGADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1cccc2c1CCCC2 ZINC000740144339 576554269 /nfs/dbraw/zinc/55/42/69/576554269.db2.gz MNTDQTTZRXEZMS-UHFFFAOYSA-N -2 0 349.383 3.204 20 0 EGADRL Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)sc1C(=O)[O-] ZINC000314339395 599875913 /nfs/dbraw/zinc/87/59/13/599875913.db2.gz JYTVBOKHORMRQY-UHFFFAOYSA-N -2 0 337.422 3.044 20 0 EGADRL O=C([O-])c1cc(Cl)cc([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000166563561 600637389 /nfs/dbraw/zinc/63/73/89/600637389.db2.gz SFADMOSRBRNYKE-UHFFFAOYSA-N -2 0 346.191 3.492 20 0 EGADRL CC(C)(C(=O)[O-])c1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)cc1 ZINC000826112976 600669020 /nfs/dbraw/zinc/66/90/20/600669020.db2.gz CDNLACBKFRUQIK-UHFFFAOYSA-N -2 0 347.411 3.413 20 0 EGADRL O=C([O-])[C@@H]1CC12CCN(C(=O)c1c([O-])cc(Cl)cc1Cl)CC2 ZINC000833177186 601210625 /nfs/dbraw/zinc/21/06/25/601210625.db2.gz FSDHPFNTFDNAAO-VIFPVBQESA-N -2 0 344.194 3.026 20 0 EGADRL Cc1oc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1C(=O)[O-] ZINC000833029334 601231510 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Cc1cnn(CC2CCC2)c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176238227 1385524069 /nfs/dbraw/zinc/52/40/69/1385524069.db2.gz PKLXWLGHSQNBAX-UHFFFAOYSA-N -2 0 329.356 3.132 20 0 EGADRL COC(=O)c1cc(Cl)ccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176241897 1385524470 /nfs/dbraw/zinc/52/44/70/1385524470.db2.gz CWUDBWOOZCSPAP-UHFFFAOYSA-N -2 0 349.726 3.267 20 0 EGADRL O=C([O-])c1ccc(Nc2ccc(Cl)cc2S(=O)(=O)[O-])cc1 ZINC001176713060 1385668743 /nfs/dbraw/zinc/66/87/43/1385668743.db2.gz ZMIUJOVBGBUOML-UHFFFAOYSA-N -2 0 327.745 3.029 20 0 EGADRL C[C@@H]1C[C@H](C)N(C(=O)c2ccc([O-])c(Cl)c2)[C@@H](C)[C@H]1C(=O)[O-] ZINC001349986986 1391394949 /nfs/dbraw/zinc/39/49/49/1391394949.db2.gz SZMZITJIRIORCA-YCWTYVPXSA-N -2 0 325.792 3.005 20 0 EGADRL O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)C1CCCC1 ZINC000826459619 1442493974 /nfs/dbraw/zinc/49/39/74/1442493974.db2.gz RDGWQDUGKQSUOD-UHFFFAOYSA-N -2 0 340.412 3.119 20 0 EGADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)c(Cl)c1 ZINC000035426948 957211672 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CCc1cc(C(=O)[O-])c(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC001597441028 987801400 /nfs/dbraw/zinc/80/14/00/987801400.db2.gz MSKOFUDFSQXGCO-GFCCVEGCSA-N -2 0 347.392 3.206 20 0 EGADRL CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])sc2C)s1 ZINC001597562366 988306394 /nfs/dbraw/zinc/30/63/94/988306394.db2.gz WTPAJXLWGIYFSA-UHFFFAOYSA-N -2 0 331.440 3.179 20 0 EGADRL CC(C)C[C@](C)(CC(=O)[O-])C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001591130081 991820726 /nfs/dbraw/zinc/82/07/26/991820726.db2.gz FJGPMGLTRWALOT-KPZWWZAWSA-N -2 0 335.400 3.340 20 0 EGADRL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000078487746 202396398 /nfs/dbraw/zinc/39/63/98/202396398.db2.gz PRXQNTGRZAXBPQ-UHFFFAOYSA-N -2 0 347.726 3.117 20 0 EGADRL Cc1cc([N-]S(=O)(=O)c2ccc(Cl)s2)ccc1C(=O)[O-] ZINC000044750137 204306553 /nfs/dbraw/zinc/30/65/53/204306553.db2.gz UDCAEGCDAFJLNE-UHFFFAOYSA-N -2 0 331.802 3.209 20 0 EGADRL Cc1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1C(=O)[O-] ZINC000362123430 144359715 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Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c1Cl ZINC000538295479 314237922 /nfs/dbraw/zinc/23/79/22/314237922.db2.gz AYCYFXKKIAPZOY-UHFFFAOYSA-N -2 0 343.763 3.287 20 0 EGADRL O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)c1c([O-])cc(Cl)cc1Cl)C2 ZINC000573248771 317457901 /nfs/dbraw/zinc/45/79/01/317457901.db2.gz HWIATVHFNSYPKB-VXJOIVPMSA-N -2 0 344.194 3.026 20 0 EGADRL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000134618023 454568939 /nfs/dbraw/zinc/56/89/39/454568939.db2.gz CRYHNZWIMFQWAL-UHFFFAOYSA-N -2 0 337.372 3.034 20 0 EGADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)s1 ZINC000080941169 454653008 /nfs/dbraw/zinc/65/30/08/454653008.db2.gz YPVCFHHEBWHXRC-UHFFFAOYSA-N -2 0 325.411 3.118 20 0 EGADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc(F)c2C)c1 ZINC000156350613 455108130 /nfs/dbraw/zinc/10/81/30/455108130.db2.gz CDYZGWXFSCYZOQ-UHFFFAOYSA-N -2 0 341.335 3.081 20 0 EGADRL Cc1c([N-]S(=O)(=O)c2cccc3cccnc32)cccc1C(=O)[O-] ZINC000340863955 456727337 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Cc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)c1 ZINC000464845724 458783732 /nfs/dbraw/zinc/78/37/32/458783732.db2.gz OVSCICHBSFUPDF-UHFFFAOYSA-N -2 0 349.408 3.323 20 0 EGADRL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2cc3ccccc3o2)c1 ZINC000530770072 458825288 /nfs/dbraw/zinc/82/52/88/458825288.db2.gz XOXPJMUOAVZLRB-UHFFFAOYSA-N -2 0 335.312 3.071 20 0 EGADRL CCOc1cc(CC(=O)[O-])c(-c2cccc(C(=O)[O-])c2)cc1OCC ZINC000568265230 459260808 /nfs/dbraw/zinc/26/08/08/459260808.db2.gz QVXJUACHKQPRFZ-UHFFFAOYSA-N -2 0 344.363 3.476 20 0 EGADRL O=C([O-])c1cc(Cl)cc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000739216864 576381669 /nfs/dbraw/zinc/38/16/69/576381669.db2.gz SMEUDTUZORLJOK-AWEZNQCLSA-N -2 0 347.754 3.235 20 0 EGADRL O=C([O-])CC[C@@H](NC(=O)CC1(CC(=O)[O-])CCCC1)c1ccccc1 ZINC000739659906 576493836 /nfs/dbraw/zinc/49/38/36/576493836.db2.gz QQDFFXPSUNVNRB-OAHLLOKOSA-N -2 0 347.411 3.134 20 0 EGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1nc2ccccc2s1 ZINC000320494499 599965780 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CCN(C(=O)c1cc(F)c([O-])c(Cl)c1)c1ncc(C(=O)[O-])s1 ZINC001596164833 983527922 /nfs/dbraw/zinc/52/79/22/983527922.db2.gz TYGJJVSYIJAOCK-UHFFFAOYSA-N -2 0 344.751 3.006 20 0 EGADRL CCC(=O)c1ccc([O-])c(NC(=O)c2[nH]c(CC)c(C(=O)[O-])c2C)c1 ZINC001594721186 987203399 /nfs/dbraw/zinc/20/33/99/987203399.db2.gz ULVROPSBMRGWQJ-UHFFFAOYSA-N -2 0 344.367 3.134 20 0 EGADRL CC(C)C[C@@](C)(CC(=O)[O-])C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001591130888 991824110 /nfs/dbraw/zinc/82/41/10/991824110.db2.gz MNUBXDHMUKADNU-SFHVURJKSA-N -2 0 335.400 3.169 20 0 EGADRL C[C@H]1CC[C@](NC(=O)c2cccc(F)c2[O-])(C(=O)[O-])c2ccccc21 ZINC001594322511 999243086 /nfs/dbraw/zinc/24/30/86/999243086.db2.gz MWMJVDPCWWCGBJ-JEOXALJRSA-N -2 0 343.354 3.139 20 0 EGADRL CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000020552033 212146716 /nfs/dbraw/zinc/14/67/16/212146716.db2.gz AKIXFAYTNJXGRQ-UHFFFAOYSA-N -2 0 325.411 3.118 20 0 EGADRL CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1C ZINC000314358830 154155260 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O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084920334 454015235 /nfs/dbraw/zinc/01/52/35/454015235.db2.gz NWUSTPMWOMMNFF-UHFFFAOYSA-N -2 0 335.312 3.071 20 0 EGADRL Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c(C(=O)[O-])c1 ZINC000058364129 454193338 /nfs/dbraw/zinc/19/33/38/454193338.db2.gz USUUYWXVBSDEIM-UHFFFAOYSA-N -2 0 343.763 3.287 20 0 EGADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000156241879 455097214 /nfs/dbraw/zinc/09/72/14/455097214.db2.gz BUKVVQXLLNFALS-UHFFFAOYSA-N -2 0 337.372 3.250 20 0 EGADRL COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000348452101 456691825 /nfs/dbraw/zinc/69/18/25/456691825.db2.gz STQIZPOQSFSKJM-UHFFFAOYSA-N -2 0 349.408 3.119 20 0 EGADRL Cc1ccsc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000356721565 457134289 /nfs/dbraw/zinc/13/42/89/457134289.db2.gz KSIXFLXWJFZPAD-UHFFFAOYSA-N -2 0 331.802 3.209 20 0 EGADRL O=C(Nc1ccc(O)c(Cl)c1)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000436715776 458365830 /nfs/dbraw/zinc/36/58/30/458365830.db2.gz MKZRSDZOAUDRKJ-UHFFFAOYSA-N -2 0 347.733 3.328 20 0 EGADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000530648956 458804665 /nfs/dbraw/zinc/80/46/65/458804665.db2.gz ZAIMEQFROHYQGW-UHFFFAOYSA-N -2 0 341.335 3.026 20 0 EGADRL Cc1cscc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000533361660 459225052 /nfs/dbraw/zinc/22/50/52/459225052.db2.gz GWRVTCNHQJRHDF-UHFFFAOYSA-N -2 0 337.422 3.044 20 0 EGADRL CCCCC1CCC(NS(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000736984041 576070702 /nfs/dbraw/zinc/07/07/02/576070702.db2.gz FCMXNTCBKCEGTR-UHFFFAOYSA-N -2 0 329.418 3.005 20 0 EGADRL Cc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3n2)cc1C(=O)[O-] ZINC000832956056 600828414 /nfs/dbraw/zinc/82/84/14/600828414.db2.gz YHUMCFYHINLHNU-UHFFFAOYSA-N -2 0 342.376 3.042 20 0 EGADRL CN(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cc3ccccc3o2)cc1 ZINC000830519190 601557498 /nfs/dbraw/zinc/55/74/98/601557498.db2.gz OGXDRVUTLKRTPB-UHFFFAOYSA-N -2 0 346.364 3.348 20 0 EGADRL O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000833131986 602052432 /nfs/dbraw/zinc/05/24/32/602052432.db2.gz NEYFYKFFWNMPPK-RYUDHWBXSA-N -2 0 348.424 3.270 20 0 EGADRL C[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C1 ZINC000828012776 602053589 /nfs/dbraw/zinc/05/35/89/602053589.db2.gz NRDIWATUSKQNEK-QGZVFWFLSA-N -2 0 333.771 3.136 20 0 EGADRL Cc1[n-]n(-c2cccc(-c3ccc(C=O)s3)c2)c(=O)c1CC(=O)[O-] ZINC000874970852 1298185967 /nfs/dbraw/zinc/18/59/67/1298185967.db2.gz DMLKIBIFUCGXRP-AWEZNQCLSA-N -2 0 342.376 3.041 20 0 EGADRL Cc1ccc(S(=O)(=O)[N-]c2cncc(C3CCC3)c2)cc1C(=O)[O-] ZINC001184668651 1387506483 /nfs/dbraw/zinc/50/64/83/1387506483.db2.gz VKVPEJVHFCLJTD-UHFFFAOYSA-N -2 0 346.408 3.157 20 0 EGADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc([O-])c(F)c(F)c2)c1 ZINC001189610950 1367068455 /nfs/dbraw/zinc/06/84/55/1367068455.db2.gz RKVKDAIUYBALBX-UHFFFAOYSA-N -2 0 349.742 3.133 20 0 EGADRL O=S(=O)([N-]c1cc(Cl)ccc1[S-])c1ccc(Cl)cn1 ZINC001196237009 1368573573 /nfs/dbraw/zinc/57/35/73/1368573573.db2.gz KMYLJJQTTZHQQC-UHFFFAOYSA-N -2 0 335.237 3.478 20 0 EGADRL Cc1ccnc(S(=O)(=O)[N-]c2ccc3[n-]c(=S)sc3c2)c1 ZINC001198004849 1368940443 /nfs/dbraw/zinc/94/04/43/1368940443.db2.gz WYLWZWYRVQVRBO-UHFFFAOYSA-N -2 0 337.451 3.089 20 0 EGADRL COc1ccc2c(=O)cc(C(=O)Nc3ccccc3[S-])[n-]c2c1 ZINC001154114642 1380211954 /nfs/dbraw/zinc/21/19/54/1380211954.db2.gz HEYCVDJWTZQPNL-UHFFFAOYSA-N -2 0 326.377 3.078 20 0 EGADRL CC(C)c1cc(Br)cc(NCCOP(=O)([O-])[O-])c1 ZINC001168594840 1383944277 /nfs/dbraw/zinc/94/42/77/1383944277.db2.gz BZBAVURCONAINR-UHFFFAOYSA-N -2 0 338.138 3.094 20 0 EGADRL O=P([O-])([O-])OCCNc1cc(F)cc(F)c1-c1ccccc1 ZINC001168595772 1383944640 /nfs/dbraw/zinc/94/46/40/1383944640.db2.gz MXHFOBLYIQPMCE-UHFFFAOYSA-N -2 0 329.239 3.153 20 0 EGADRL O=C([O-])c1ccc(Nc2cccc(S(=O)(=O)[O-])c2)cc1Cl ZINC001175316861 1385249906 /nfs/dbraw/zinc/24/99/06/1385249906.db2.gz UKNYNYCQRVECEX-UHFFFAOYSA-N -2 0 327.745 3.029 20 0 EGADRL COc1nc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc2ccccc21 ZINC001176238140 1385523923 /nfs/dbraw/zinc/52/39/23/1385523923.db2.gz NGELYSHRYJRGPU-UHFFFAOYSA-N -2 0 338.319 3.383 20 0 EGADRL COC(=O)c1cc(C)c(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(C)c1 ZINC001176241934 1385524517 /nfs/dbraw/zinc/52/45/17/1385524517.db2.gz FQASUTLQAKTVEH-UHFFFAOYSA-N -2 0 343.335 3.230 20 0 EGADRL COC(=O)c1c(C)ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1F ZINC001176243516 1385524727 /nfs/dbraw/zinc/52/47/27/1385524727.db2.gz LDMDKFMXEZIJEZ-UHFFFAOYSA-N -2 0 347.298 3.061 20 0 EGADRL Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cn1 ZINC000324691483 971148573 /nfs/dbraw/zinc/14/85/73/971148573.db2.gz TZIZJCNPFAZINV-UHFFFAOYSA-N -2 0 348.424 3.187 20 0 EGADRL C[C@@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])[C@H]1C(=O)[O-] ZINC001589327862 953926558 /nfs/dbraw/zinc/92/65/58/953926558.db2.gz CVOQCWYZBVALEH-RDDDGLTNSA-N -2 0 332.183 3.024 20 0 EGADRL Cc1cccc([C@@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)C(=O)[O-])c1 ZINC001594392104 958739825 /nfs/dbraw/zinc/73/98/25/958739825.db2.gz CKRPJCRLSWDAQI-CYBMUJFWSA-N -2 0 337.734 3.049 20 0 EGADRL CC(C)(CCC(=O)[O-])C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001588758678 961237317 /nfs/dbraw/zinc/23/73/17/961237317.db2.gz YDKUEYSKBRJVJA-UHFFFAOYSA-N -2 0 331.727 3.007 20 0 EGADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc([C@H](C)C(=O)[O-])cc2)s1 ZINC000396451755 972892272 /nfs/dbraw/zinc/89/22/72/972892272.db2.gz RPDOYQXNGOGGDZ-NSHDSACASA-N -2 0 339.438 3.354 20 0 EGADRL CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001597465504 987905738 /nfs/dbraw/zinc/90/57/38/987905738.db2.gz SPPVIJQMLDVOIG-UHFFFAOYSA-N -2 0 327.336 3.026 20 0 EGADRL C[C@@H](CC(=O)[O-])NC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC001599833858 988713699 /nfs/dbraw/zinc/71/36/99/988713699.db2.gz GEHFYLCYVNSHSV-JTQLQIEISA-N -2 0 333.771 3.306 20 0 EGADRL C[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC001593773166 996470620 /nfs/dbraw/zinc/47/06/20/996470620.db2.gz SUYBQHNMQIDJCD-CQSZACIVSA-N -2 0 332.183 3.026 20 0 EGADRL C[C@@H]1CC[C@@](NC(=O)c2cccc(F)c2[O-])(C(=O)[O-])c2ccccc21 ZINC001594322514 999243034 /nfs/dbraw/zinc/24/30/34/999243034.db2.gz MWMJVDPCWWCGBJ-WYRIXSBYSA-N -2 0 343.354 3.139 20 0 EGADRL Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC000186988301 144148975 /nfs/dbraw/zinc/14/89/75/144148975.db2.gz FUKHCJKMQYNSQD-UHFFFAOYSA-N -2 0 348.355 3.114 20 0 EGADRL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000315637210 154156437 /nfs/dbraw/zinc/15/64/37/154156437.db2.gz ZCUWTGIPIMGOGP-UHFFFAOYSA-N -2 0 347.726 3.117 20 0 EGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(F)cccc2Cl)cc1F ZINC000126332113 162299537 /nfs/dbraw/zinc/29/95/37/162299537.db2.gz CZFFXCKRPYAOCD-UHFFFAOYSA-N -2 0 347.726 3.117 20 0 EGADRL Cc1cc(C)c([N-]S(=O)(=O)c2cccc(F)c2F)c(C(=O)[O-])c1 ZINC000523185832 312611466 /nfs/dbraw/zinc/61/14/66/312611466.db2.gz AUEJCDWPMYELOD-UHFFFAOYSA-N -2 0 341.335 3.081 20 0 EGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)cs1 ZINC000070156617 454166962 /nfs/dbraw/zinc/16/69/62/454166962.db2.gz IFDHFKXRXNKREI-UHFFFAOYSA-N -2 0 335.765 3.040 20 0 EGADRL Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])sc1Cl ZINC000231806615 456142949 /nfs/dbraw/zinc/14/29/49/456142949.db2.gz NZFTTXNMXGYPHO-UHFFFAOYSA-N -2 0 349.792 3.348 20 0 EGADRL Cc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000387427056 324270856 /nfs/dbraw/zinc/27/08/56/324270856.db2.gz NCDXGDYSCVTURU-UHFFFAOYSA-N -2 0 339.800 3.456 20 0 EGADRL CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)cc1 ZINC000324625507 456671390 /nfs/dbraw/zinc/67/13/90/456671390.db2.gz PANIXDBAYNNDRE-LLVKDONJSA-N -2 0 349.408 3.405 20 0 EGADRL Cc1ccc([N-]S(=O)(=O)c2cccc3cccnc32)c(C(=O)[O-])c1 ZINC000340847989 456715601 /nfs/dbraw/zinc/71/56/01/456715601.db2.gz GMHMHULRWYQTEN-UHFFFAOYSA-N -2 0 342.376 3.042 20 0 EGADRL Cc1ccsc1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000356732943 457139906 /nfs/dbraw/zinc/13/99/06/457139906.db2.gz AWUAZVLJTFSUIP-UHFFFAOYSA-N -2 0 331.802 3.209 20 0 EGADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)s1 ZINC000431181281 458540697 /nfs/dbraw/zinc/54/06/97/458540697.db2.gz RMOGXBDUUDUXEB-UHFFFAOYSA-N -2 0 325.411 3.172 20 0 EGADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000584156430 459667494 /nfs/dbraw/zinc/66/74/94/459667494.db2.gz BHZUEQRSYASBCP-UHFFFAOYSA-N -2 0 331.349 3.240 20 0 EGADRL O=C([O-])c1cccc(C[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)c1 ZINC000666573609 461700264 /nfs/dbraw/zinc/70/02/64/461700264.db2.gz ZOOMZPZOPASMRT-UHFFFAOYSA-N -2 0 339.391 3.185 20 0 EGADRL O=C([O-])c1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)cc1Cl ZINC000739215516 576381579 /nfs/dbraw/zinc/38/15/79/576381579.db2.gz CPLYCSNZBHSOJJ-UHFFFAOYSA-N -2 0 339.775 3.402 20 0 EGADRL O=C([O-])c1ccc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC000739215780 576381581 /nfs/dbraw/zinc/38/15/81/576381581.db2.gz FYZDEVKQIFZENG-CYBMUJFWSA-N -2 0 347.754 3.235 20 0 EGADRL Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)s1 ZINC000166560780 600636624 /nfs/dbraw/zinc/63/66/24/600636624.db2.gz YVVUODRGZUEESO-UHFFFAOYSA-N -2 0 331.802 3.209 20 0 EGADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)ccc1C(F)(F)F ZINC000832899093 600686684 /nfs/dbraw/zinc/68/66/84/600686684.db2.gz CWRFTKOUYAXICY-UHFFFAOYSA-N -2 0 349.286 3.106 20 0 EGADRL Cc1cc(CCC(=O)[O-])ccc1-c1ccccc1[C@@H](O)CC(=O)[O-] ZINC000849476863 1322123637 /nfs/dbraw/zinc/12/36/37/1322123637.db2.gz YHNRCPQJIWFTJV-KRWDZBQOSA-N -2 0 328.364 3.187 20 0 EGADRL CCc1ccc(OC)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC001184702725 1387514956 /nfs/dbraw/zinc/51/49/56/1387514956.db2.gz APXUBXPODUMBER-UHFFFAOYSA-N -2 0 349.408 3.065 20 0 EGADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc2ccccc2cn1 ZINC001185875507 1387823250 /nfs/dbraw/zinc/82/32/50/1387823250.db2.gz CZYULOGOLZCBFS-UHFFFAOYSA-N -2 0 342.376 3.042 20 0 EGADRL Cc1cc(C)cc([C@@H](C)NC(=O)c2ccccc2OP(=O)([O-])[O-])c1 ZINC001189899663 1367126103 /nfs/dbraw/zinc/12/61/03/1367126103.db2.gz SMGGZBABTOJQKN-CYBMUJFWSA-N -2 0 349.323 3.266 20 0 EGADRL O=C([O-])c1cc(S(=O)(=O)Nc2ccc([S-])cc2)ccc1Cl ZINC001188308515 1388288039 /nfs/dbraw/zinc/28/80/39/1388288039.db2.gz DWXHZJASCWOTQT-UHFFFAOYSA-N -2 0 343.813 3.128 20 0 EGADRL O=C(Nc1c(=O)[nH][n-]c1-c1ccccc1)c1ccc(Cl)c([O-])c1 ZINC001141388515 1378316685 /nfs/dbraw/zinc/31/66/85/1378316685.db2.gz FUXATYWUVLDZOF-UHFFFAOYSA-N -2 0 329.743 3.394 20 0 EGADRL O=[P@@]([O-])(O)C1(Nc2cc(F)ccc2[S-])Cc2ccccc2C1 ZINC001167940543 1383774443 /nfs/dbraw/zinc/77/44/43/1383774443.db2.gz YVQJXEHBLOUSBE-UHFFFAOYSA-N -2 0 339.328 3.199 20 0 EGADRL Cc1ccc(NCCOP(=O)([O-])[O-])cc1OCc1ccccc1 ZINC001168595421 1383944195 /nfs/dbraw/zinc/94/41/95/1383944195.db2.gz KYLMIIHADMCQDI-UHFFFAOYSA-N -2 0 337.312 3.095 20 0 EGADRL O=C([O-])c1cc(Nc2ccnn2-c2ccc(F)cc2)cc(C(=O)[O-])c1 ZINC001176237840 1385523766 /nfs/dbraw/zinc/52/37/66/1385523766.db2.gz GITFXXGIVSEQFA-UHFFFAOYSA-N -2 0 341.298 3.151 20 0 EGADRL O=C([O-])c1cc(Nc2c(F)c(F)cc(F)c2F)cc(C(=O)[O-])c1 ZINC001176241546 1385524451 /nfs/dbraw/zinc/52/44/51/1385524451.db2.gz LAHQPJNRRGNABZ-UHFFFAOYSA-N -2 0 329.205 3.383 20 0 EGADRL CO[C@H]1CCOc2c(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)cccc21 ZINC001176244156 1385525343 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3.064 20 0 EGADRL O=C([O-])[C@@H]1CCN(C(=O)c2ncc3ccccc3c2[O-])c2ccccc21 ZINC001594932795 954825017 /nfs/dbraw/zinc/82/50/17/954825017.db2.gz KAXAMAIUJUBLMU-OAHLLOKOSA-N -2 0 348.358 3.159 20 0 EGADRL CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000386846544 972085419 /nfs/dbraw/zinc/08/54/19/972085419.db2.gz XGBJIOMTKRLLHK-UHFFFAOYSA-N -2 0 341.410 3.034 20 0 EGADRL CCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1 ZINC000007230585 956881785 /nfs/dbraw/zinc/88/17/85/956881785.db2.gz ODHXRXNMTWNCLV-UHFFFAOYSA-N -2 0 337.372 3.277 20 0 EGADRL Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)sc1C(=O)[O-] ZINC000037462711 957302790 /nfs/dbraw/zinc/30/27/90/957302790.db2.gz QTNKOWNXDJDSQP-UHFFFAOYSA-N -2 0 349.792 3.348 20 0 EGADRL Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1ccc(C(=O)[O-])cc1)CC2 ZINC000041575013 957390604 /nfs/dbraw/zinc/39/06/04/957390604.db2.gz QQGXOTCATNMTNV-XYOKQWHBSA-N -2 0 326.304 3.197 20 0 EGADRL Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000317057053 970322841 /nfs/dbraw/zinc/32/28/41/970322841.db2.gz DVMOOHAHJKGFMZ-UHFFFAOYSA-N -2 0 340.426 3.074 20 0 EGADRL CCOc1cc(C(=O)N[C@@H](C[C@@H](C)CC)C(=O)[O-])cc(Cl)c1O ZINC000909861848 981685805 /nfs/dbraw/zinc/68/58/05/981685805.db2.gz IMNKFLITOSEPOG-CABZTGNLSA-N -2 0 343.807 3.064 20 0 EGADRL CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])n2)cc1 ZINC001595014983 982957980 /nfs/dbraw/zinc/95/79/80/982957980.db2.gz ZIAMSJZBCFZZBU-GFCCVEGCSA-N -2 0 348.424 3.023 20 0 EGADRL CC(C)(C)n1cc(C(=O)[O-])c(-c2ccc3cc(C(=O)[O-])[nH]c3c2)n1 ZINC001590593405 990244886 /nfs/dbraw/zinc/24/48/86/990244886.db2.gz HDTQTNXEMFTLNI-UHFFFAOYSA-N -2 0 327.340 3.183 20 0 EGADRL CC1(C)CCC[C@](NC(=O)c2cccc(Cl)c2[O-])(C(=O)[O-])C1 ZINC001593892308 996740329 /nfs/dbraw/zinc/74/03/29/996740329.db2.gz LHYOTCKXWJZPKM-MRXNPFEDSA-N -2 0 325.792 3.199 20 0 EGADRL Cc1cccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1C(=O)[O-] ZINC000078763831 217116247 /nfs/dbraw/zinc/11/62/47/217116247.db2.gz MOXRECMDRXQJED-UHFFFAOYSA-N -2 0 343.763 3.287 20 0 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339.307 3.185 20 0 EGADRL COC(=O)c1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1Cl ZINC001176244245 1385525622 /nfs/dbraw/zinc/52/56/22/1385525622.db2.gz IUFIEMUEQWMEMH-UHFFFAOYSA-N -2 0 349.726 3.267 20 0 EGADRL CC[C@@H](C)[C@H](C(=O)Nc1ncc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000820859929 1427647860 /nfs/dbraw/zinc/64/78/60/1427647860.db2.gz HECYPSVCJXENJG-MFKMUULPSA-N -2 0 342.428 3.092 20 0 EGADRL [O-]c1cc(Cl)c(-c2nc3ccc(-c4nn[n-]n4)cc3[nH]2)cc1Cl ZINC000826510706 1441955060 /nfs/dbraw/zinc/95/50/60/1441955060.db2.gz GTMLEOQKBMCLAA-UHFFFAOYSA-N -2 0 347.165 3.422 20 0 EGADRL O=C([O-])CCc1cccc(NC(=O)CC2(C(=O)[O-])CCCCC2)c1 ZINC001602043652 971128915 /nfs/dbraw/zinc/12/89/15/971128915.db2.gz JAGXFWOFTJJUCP-UHFFFAOYSA-N -2 0 333.384 3.068 20 0 EGADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c1C(=O)[O-] ZINC000386367875 972048361 /nfs/dbraw/zinc/04/83/61/972048361.db2.gz XWFNWJVRULCSKG-UHFFFAOYSA-N -2 0 345.323 3.333 20 0 EGADRL O=C([O-])[C@H]1C[C@H](NC(=O)c2cccc(Cl)c2[O-])c2ccccc21 ZINC001594727330 957016490 /nfs/dbraw/zinc/01/64/90/957016490.db2.gz RNCFNWREGBEDSP-JSGCOSHPSA-N -2 0 331.755 3.089 20 0 EGADRL Cc1csc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000097895862 958352661 /nfs/dbraw/zinc/35/26/61/958352661.db2.gz PPQCWSZEXXOHIV-UHFFFAOYSA-N -2 0 349.792 3.348 20 0 EGADRL Cc1csc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000128300560 958654923 /nfs/dbraw/zinc/65/49/23/958654923.db2.gz XNNZNBQPJJVBLF-UHFFFAOYSA-N -2 0 331.802 3.209 20 0 EGADRL CC(C)(C)CC[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)C(=O)[O-] ZINC001573395997 958718195 /nfs/dbraw/zinc/71/81/95/958718195.db2.gz SEHVXLMDLHVBKF-NSHDSACASA-N -2 0 331.771 3.194 20 0 EGADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1C(C)C ZINC000392305939 972468688 /nfs/dbraw/zinc/46/86/88/972468688.db2.gz BUMOOSIEKPUYDG-UHFFFAOYSA-N -2 0 349.408 3.318 20 0 EGADRL CCc1cccc(C)c1[N-]S(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC000318633063 970456350 /nfs/dbraw/zinc/45/63/50/970456350.db2.gz YTVAYNXKCXZORN-UHFFFAOYSA-N -2 0 339.438 3.426 20 0 EGADRL O=C([O-])c1ccnc(NC(=O)c2cc(Cl)cc(Cl)c2[O-])c1 ZINC001606532253 974050693 /nfs/dbraw/zinc/05/06/93/974050693.db2.gz YADLFCCMNUEVCR-UHFFFAOYSA-N -2 0 327.123 3.045 20 0 EGADRL C[C@H](CN(Cc1ccccc1)C(=O)c1ccc(Cl)c([O-])c1)C(=O)[O-] ZINC001592604707 978546116 /nfs/dbraw/zinc/54/61/16/978546116.db2.gz BAJSRWSAPZAFCF-GFCCVEGCSA-N -2 0 347.798 3.409 20 0 EGADRL CSc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)ccc1C ZINC001599809693 988312739 /nfs/dbraw/zinc/31/27/39/988312739.db2.gz MBIUWXCENYFGTF-UHFFFAOYSA-N -2 0 341.410 3.117 20 0 EGADRL CCc1ccccc1S(=O)(=O)[N-]c1scc(C(=O)[O-])c1C ZINC001597621994 988555720 /nfs/dbraw/zinc/55/57/20/988555720.db2.gz VCZCNTHHWHAQIJ-UHFFFAOYSA-N -2 0 325.411 3.118 20 0 EGADRL CC(C)CCc1ccccc1[N-]S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001591270152 992187619 /nfs/dbraw/zinc/18/76/19/992187619.db2.gz MUCMPEADJUYCPZ-UHFFFAOYSA-N -2 0 348.424 3.169 20 0 EGADRL C[C@@]1(NC(=O)c2cccc(C(F)(F)F)c2[O-])CCCC[C@@H]1C(=O)[O-] ZINC001594056693 997802896 /nfs/dbraw/zinc/80/28/96/997802896.db2.gz SFPWHIVLTQMMFI-IAQYHMDHSA-N -2 0 345.317 3.174 20 0 EGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)sc1C(=O)[O-] ZINC000037238977 213136452 /nfs/dbraw/zinc/13/64/52/213136452.db2.gz KSTCYFRPOZXPGY-UHFFFAOYSA-N -2 0 349.792 3.348 20 0 EGADRL Cc1cccc2sc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)nc21 ZINC000012536033 258054717 /nfs/dbraw/zinc/05/47/17/258054717.db2.gz ZWVMEZDVDZMTSK-UHFFFAOYSA-N -2 0 348.405 3.104 20 0 EGADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)s1 ZINC000336848649 154217362 /nfs/dbraw/zinc/21/73/62/154217362.db2.gz LVZKRMVZJMJHRN-UHFFFAOYSA-N -2 0 325.411 3.172 20 0 EGADRL O=C([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000314511962 308765366 /nfs/dbraw/zinc/76/53/66/308765366.db2.gz PUCHRRIVASIOSZ-UHFFFAOYSA-N -2 0 347.726 3.117 20 0 EGADRL Cc1nc(=NC(=O)c2cc(CCc3ccccc3)ccc2[O-])s[n-]1 ZINC000440290273 309847660 /nfs/dbraw/zinc/84/76/60/309847660.db2.gz GFCXXGZCYIVBBL-UHFFFAOYSA-N -2 0 339.420 3.012 20 0 EGADRL CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000514305431 312229177 /nfs/dbraw/zinc/22/91/77/312229177.db2.gz WQHOOOCGMVBFAC-UHFFFAOYSA-N -2 0 349.408 3.189 20 0 EGADRL Cc1ccc(-c2[n-][nH]c(=NC(=O)c3ccc(C)c(C)c3[O-])c2C)o1 ZINC000573289543 317462839 /nfs/dbraw/zinc/46/28/39/317462839.db2.gz ZBIJYTZGKYZAMK-UHFFFAOYSA-N -2 0 325.368 3.283 20 0 EGADRL CCCn1nc(C)c(-c2ccc(C(=O)[O-])c(C3(C(=O)[O-])CC3)c2)c1C ZINC000576242320 324576783 /nfs/dbraw/zinc/57/67/83/324576783.db2.gz VJZBAROGZZEXAU-UHFFFAOYSA-N -2 0 342.395 3.391 20 0 EGADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000317985458 456619251 /nfs/dbraw/zinc/61/92/51/456619251.db2.gz NQBVTRHGQQQHER-UHFFFAOYSA-N -2 0 343.763 3.287 20 0 EGADRL CSc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000342783371 457523422 /nfs/dbraw/zinc/52/34/22/457523422.db2.gz RRULJUDFKFVQAZ-UHFFFAOYSA-N -2 0 341.410 3.117 20 0 EGADRL Cc1cc([N-]S(=O)(=O)c2cc3ccccc3o2)cc(C(=O)[O-])c1 ZINC000556798558 459010699 /nfs/dbraw/zinc/01/06/99/459010699.db2.gz VMSIKIJKYWYFRC-UHFFFAOYSA-N -2 0 331.349 3.240 20 0 EGADRL CCC(CC)(CC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)C(=O)[O-] ZINC000736894883 576056347 /nfs/dbraw/zinc/05/63/47/576056347.db2.gz UJLXHNBCFBOBON-UHFFFAOYSA-N -2 0 327.764 3.258 20 0 EGADRL O=C([O-])CCc1ccc(NC(=O)CC2(C(=O)[O-])CCCCCC2)cc1 ZINC000739755965 576503404 /nfs/dbraw/zinc/50/34/04/576503404.db2.gz GYYKBPJXTPRUQM-UHFFFAOYSA-N -2 0 347.411 3.458 20 0 EGADRL CCc1ccc(S(=O)(=O)[N-]c2cc(C)c(C(=O)[O-])s2)cc1 ZINC000037404867 599875858 /nfs/dbraw/zinc/87/58/58/599875858.db2.gz XBEMYAXCCIIJRC-UHFFFAOYSA-N -2 0 325.411 3.118 20 0 EGADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000833741786 605127479 /nfs/dbraw/zinc/12/74/79/605127479.db2.gz WSXKWFBUCWTJRA-UHFFFAOYSA-N -2 0 348.405 3.104 20 0 EGADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000833751024 605128411 /nfs/dbraw/zinc/12/84/11/605128411.db2.gz MXKDBKRIFYCZFB-UHFFFAOYSA-N -2 0 329.374 3.003 20 0 EGADRL C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cccc(Cl)c1[O-])c1ccccc1 ZINC000833413321 605254942 /nfs/dbraw/zinc/25/49/42/605254942.db2.gz ZCRVCPBKRJJMEC-YGRLFVJLSA-N -2 0 333.771 3.237 20 0 EGADRL Cc1ccc(S(=O)(=O)[N-]c2csc3ncccc23)cc1C(=O)[O-] ZINC001184660033 1387505759 /nfs/dbraw/zinc/50/57/59/1387505759.db2.gz SQDRJKRTNAJRFF-UHFFFAOYSA-N -2 0 348.405 3.104 20 0 EGADRL Cc1ccc(S(=O)(=O)[N-]c2cccc3ccoc32)cc1C(=O)[O-] ZINC001184699253 1387512448 /nfs/dbraw/zinc/51/24/48/1387512448.db2.gz PBZPAJVOPRGGTK-UHFFFAOYSA-N -2 0 331.349 3.240 20 0 EGADRL CSc1ncc([O-])c(C(=O)Nc2c(Cl)ccc([O-])c2Cl)n1 ZINC001185177295 1387634517 /nfs/dbraw/zinc/63/45/17/1387634517.db2.gz UQPPFVOJWHLLPZ-UHFFFAOYSA-N -2 0 346.195 3.169 20 0 EGADRL CC(C)(C)CC(C)(C)NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189899471 1367126122 /nfs/dbraw/zinc/12/61/22/1367126122.db2.gz CACHYHHWUNIZNS-UHFFFAOYSA-N -2 0 329.333 3.103 20 0 EGADRL CC(C)(C)[C@@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccco2)cc1 ZINC001186858714 1388015305 /nfs/dbraw/zinc/01/53/05/1388015305.db2.gz HCJXHNAKMWKVKS-CQSZACIVSA-N -2 0 337.397 3.295 20 0 EGADRL Cc1cc(C)c(Nc2cc(C(=O)[O-])ccc2C)c(S(=O)(=O)[O-])c1 ZINC001174984336 1385178628 /nfs/dbraw/zinc/17/86/28/1385178628.db2.gz KOUACFLRAOCOMV-UHFFFAOYSA-N -2 0 335.381 3.300 20 0 EGADRL O=C([O-])c1cc(Nc2ccc(OC(F)(F)F)nc2)cc(C(=O)[O-])c1 ZINC001176240220 1385523768 /nfs/dbraw/zinc/52/37/68/1385523768.db2.gz ZGGKAQSTOMKMEO-UHFFFAOYSA-N -2 0 342.229 3.120 20 0 EGADRL Cc1c(NC(=O)CC2(C(=O)[O-])CCCCCC2)cccc1C(=O)[O-] ZINC000324178116 971092935 /nfs/dbraw/zinc/09/29/35/971092935.db2.gz HAPIMQNXVOYIHJ-UHFFFAOYSA-N -2 0 333.384 3.447 20 0 EGADRL Cc1ccc(NC(=O)c2cc(F)c(F)c([O-])c2F)cc1C(=O)[O-] ZINC000389974531 972258973 /nfs/dbraw/zinc/25/89/73/972258973.db2.gz UABJWJWLTSODSC-UHFFFAOYSA-N -2 0 325.242 3.068 20 0 EGADRL CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000038058842 957353457 /nfs/dbraw/zinc/35/34/57/957353457.db2.gz BODLXYDXGVIGGR-UHFFFAOYSA-N -2 0 325.411 3.200 20 0 EGADRL Cc1cc(S(=O)(=O)[N-]c2c(C)csc2C(=O)[O-])c(C)s1 ZINC000128309010 958654873 /nfs/dbraw/zinc/65/48/73/958654873.db2.gz QGMLILYUIFDCTE-UHFFFAOYSA-N -2 0 331.440 3.234 20 0 EGADRL Cc1csc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000128301525 958655325 /nfs/dbraw/zinc/65/53/25/958655325.db2.gz GWPFPDDVZFZYEG-UHFFFAOYSA-N -2 0 349.792 3.348 20 0 EGADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000226462756 959879240 /nfs/dbraw/zinc/87/92/40/959879240.db2.gz WJEVSJJFRYEJFZ-UHFFFAOYSA-N -2 0 325.411 3.172 20 0 EGADRL O=C([O-])c1cc(NC(=O)CC2(C(=O)[O-])CCCC2)ccc1Cl ZINC000314461514 963756877 /nfs/dbraw/zinc/75/68/77/963756877.db2.gz BBFQVGDXYGIETR-UHFFFAOYSA-N -2 0 325.748 3.012 20 0 EGADRL CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC001603311572 972605523 /nfs/dbraw/zinc/60/55/23/972605523.db2.gz APVPPZFNBPZYHI-UHFFFAOYSA-N -2 0 329.755 3.260 20 0 EGADRL CCC(CC)(CNc1cc(C(F)(F)F)c(C(=O)[O-])cn1)C(=O)[O-] ZINC001595084168 979373637 /nfs/dbraw/zinc/37/36/37/979373637.db2.gz GGOKRPHPYVPCJT-UHFFFAOYSA-N -2 0 334.294 3.102 20 0 EGADRL O=C([O-])[C@@H]1CCN(C(=O)c2ccc([O-])c(Cl)c2)[C@H]2CCCC[C@H]12 ZINC000909954493 981709837 /nfs/dbraw/zinc/70/98/37/981709837.db2.gz DKDMZODAGURTMJ-BZPMIXESSA-N -2 0 337.803 3.151 20 0 EGADRL C[C@H]1CN(c2c(Cl)cc(Cl)cc2C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC001594561797 986323040 /nfs/dbraw/zinc/32/30/40/986323040.db2.gz MIAKJTVZOFARBQ-CBAPKCEASA-N -2 0 332.183 3.239 20 0 EGADRL CCC(=O)c1ccc([O-])c(NC(=O)c2cc(C)cc(C(=O)[O-])c2)c1 ZINC001594720946 987202014 /nfs/dbraw/zinc/20/20/14/987202014.db2.gz GSDNENXYAGSYDU-UHFFFAOYSA-N -2 0 327.336 3.244 20 0 EGADRL C[C@@H](C(=O)[O-])c1cccc([N-]S(=O)(=O)c2ccc(C(F)F)o2)c1 ZINC001589540278 987241468 /nfs/dbraw/zinc/24/14/68/987241468.db2.gz UBHFMFWRAVKKBG-MRVPVSSYSA-N -2 0 345.323 3.206 20 0 EGADRL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc3oc(=S)[n-]c3c2)C1 ZINC001589611849 987469172 /nfs/dbraw/zinc/46/91/72/987469172.db2.gz BSJXAOGXXYJLCZ-LLVKDONJSA-N -2 0 348.424 3.080 20 0 EGADRL CC1(C)CCC[C@](NC(=O)c2ccc([O-])c(Cl)c2)(C(=O)[O-])C1 ZINC001593891746 996737679 /nfs/dbraw/zinc/73/76/79/996737679.db2.gz GEBNCNFOLYMGCY-MRXNPFEDSA-N -2 0 325.792 3.199 20 0 EGADRL C[C@@H]1CC[C@](NC(=O)c2cccc(F)c2[O-])(C(=O)[O-])c2ccccc21 ZINC001594322512 999243002 /nfs/dbraw/zinc/24/30/02/999243002.db2.gz MWMJVDPCWWCGBJ-NSPYISDASA-N -2 0 343.354 3.139 20 0 EGADRL Cc1ccc([N-]S(=O)(=O)c2ccccc2Cl)c(C(=O)[O-])c1 ZINC000020473785 212135781 /nfs/dbraw/zinc/13/57/81/212135781.db2.gz BZQHPRCTOGQFIF-UHFFFAOYSA-N -2 0 325.773 3.147 20 0 EGADRL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2cccs2)cc1)C(=O)[O-] ZINC000349105799 156355162 /nfs/dbraw/zinc/35/51/62/156355162.db2.gz HJJXORLZWXUYHG-SECBINFHSA-N -2 0 343.451 3.114 20 0 EGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)sc1Cl ZINC000188446616 265680700 /nfs/dbraw/zinc/68/07/00/265680700.db2.gz NWMUPOKXISXPLD-UHFFFAOYSA-N -2 0 331.802 3.209 20 0 EGADRL CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1F ZINC000511241134 312157186 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SCEKNUBRNYJJIG-UHFFFAOYSA-N -2 0 342.376 3.042 20 0 EGADRL O=C([O-])[C@H]1CC12CCN(C(=O)c1c([O-])cc(Cl)cc1Cl)CC2 ZINC000833177184 601210591 /nfs/dbraw/zinc/21/05/91/601210591.db2.gz FSDHPFNTFDNAAO-SECBINFHSA-N -2 0 344.194 3.026 20 0 EGADRL O=C([O-])[C@H]1CCCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C1 ZINC000833188828 601210927 /nfs/dbraw/zinc/21/09/27/601210927.db2.gz BGHSKBIKGUTSCW-JTQLQIEISA-N -2 0 333.771 3.136 20 0 EGADRL CSc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1Cl ZINC000832785871 601335607 /nfs/dbraw/zinc/33/56/07/601335607.db2.gz RKFYQKJLEGRBPX-UHFFFAOYSA-N -2 0 347.801 3.154 20 0 EGADRL O=C([O-])c1sccc1[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000319556315 601782201 /nfs/dbraw/zinc/78/22/01/601782201.db2.gz HFASDLDBMAULGD-UHFFFAOYSA-N -2 0 333.390 3.400 20 0 EGADRL C[C@@H](C(=O)[O-])[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000826044316 602323227 /nfs/dbraw/zinc/32/32/27/602323227.db2.gz FFNVTQVQLFGPIL-BMIGLBTASA-N -2 0 333.771 3.237 20 0 EGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2)c1Cl 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ZINC001176236980 1385523185 /nfs/dbraw/zinc/52/31/85/1385523185.db2.gz RMDMUVQMOTZFSJ-UHFFFAOYSA-N -2 0 337.335 3.227 20 0 EGADRL Cc1ccc(CCCO)c(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176243628 1385524404 /nfs/dbraw/zinc/52/44/04/1385524404.db2.gz AMHLLJFTRCFBCQ-UHFFFAOYSA-N -2 0 329.352 3.060 20 0 EGADRL O=C([O-])c1cc(Nc2ccc3c(c2)NC(=O)CCC3)cc(C(=O)[O-])c1 ZINC001176241977 1385524837 /nfs/dbraw/zinc/52/48/37/1385524837.db2.gz HYHUAYZFYDVAFV-UHFFFAOYSA-N -2 0 340.335 3.101 20 0 EGADRL COc1cc(C(C)=O)ccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176241727 1385524887 /nfs/dbraw/zinc/52/48/87/1385524887.db2.gz UBGDLQFSAMIHIZ-UHFFFAOYSA-N -2 0 329.308 3.038 20 0 EGADRL Nc1ccc(C(F)(F)F)cc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176241232 1385524946 /nfs/dbraw/zinc/52/49/46/1385524946.db2.gz BUZXMOKOXLEQQL-UHFFFAOYSA-N -2 0 340.257 3.428 20 0 EGADRL O=C([O-])c1cc(Nc2ccc(Cl)c3nsnc32)cc(C(=O)[O-])c1 ZINC001176244301 1385525607 /nfs/dbraw/zinc/52/56/07/1385525607.db2.gz JTDDYXDWIIOOHE-UHFFFAOYSA-N 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980015827 /nfs/dbraw/zinc/01/58/27/980015827.db2.gz KMICFPGAGBZNKL-VIFPVBQESA-N -2 0 325.233 3.150 20 0 EGADRL O=C([O-])[C@@H]1CCN(C(=O)c2ccc([O-])c(Cl)c2)[C@@H]2CCCC[C@H]12 ZINC000909954496 981709726 /nfs/dbraw/zinc/70/97/26/981709726.db2.gz DKDMZODAGURTMJ-YRGRVCCFSA-N -2 0 337.803 3.151 20 0 EGADRL CSc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001599806985 988271393 /nfs/dbraw/zinc/27/13/93/988271393.db2.gz GWUMUQIQBLPKQE-UHFFFAOYSA-N -2 0 341.410 3.117 20 0 EGADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc2[nH]ccc2cc1C ZINC001597785479 989303017 /nfs/dbraw/zinc/30/30/17/989303017.db2.gz GLZSNZHJFKVWMJ-UHFFFAOYSA-N -2 0 348.380 3.131 20 0 EGADRL CC(C)C[C@](C)(CC(=O)[O-])C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC001591130082 991820718 /nfs/dbraw/zinc/82/07/18/991820718.db2.gz FJGPMGLTRWALOT-KZULUSFZSA-N -2 0 335.400 3.340 20 0 EGADRL C[C@@H](NC(=O)c1cccc(Cl)c1[O-])[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593175203 994043955 /nfs/dbraw/zinc/04/39/55/994043955.db2.gz HMYLXXGKQGKDNI-RISCZKNCSA-N 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/nfs/dbraw/zinc/21/78/14/154217814.db2.gz GJXDIRIZAGUWAR-UHFFFAOYSA-N -2 0 329.374 3.003 20 0 EGADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000014097329 275121248 /nfs/dbraw/zinc/12/12/48/275121248.db2.gz YWKWYHXMPLBYAN-UHFFFAOYSA-N -2 0 325.773 3.147 20 0 EGADRL Cc1cc(C)c([N-]S(=O)(=O)c2ccccc2Cl)c(C(=O)[O-])c1 ZINC000072077941 307379205 /nfs/dbraw/zinc/37/92/05/307379205.db2.gz WRBHNDJMEQSISG-UHFFFAOYSA-N -2 0 339.800 3.456 20 0 EGADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)s1 ZINC000315143956 308765800 /nfs/dbraw/zinc/76/58/00/308765800.db2.gz FORQGCPVLMSWLR-UHFFFAOYSA-N -2 0 325.411 3.172 20 0 EGADRL COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000434629604 309716135 /nfs/dbraw/zinc/71/61/35/309716135.db2.gz REQSQDJNTRWRFC-UHFFFAOYSA-N -2 0 349.408 3.119 20 0 EGADRL Cc1cc(S(=O)(=O)[N-]c2scnc2C(C)C)ccc1C(=O)[O-] ZINC000451102132 310160707 /nfs/dbraw/zinc/16/07/07/310160707.db2.gz IANVZKYQAXCRLC-UHFFFAOYSA-N -2 0 340.426 3.074 20 0 EGADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1C ZINC000484988246 310972213 /nfs/dbraw/zinc/97/22/13/310972213.db2.gz PLDQTZYJRCCFRG-UHFFFAOYSA-N -2 0 349.408 3.283 20 0 EGADRL Cc1ccc([N-]S(=O)(=O)c2cc3ccccc3o2)c(C(=O)[O-])c1 ZINC000531486196 313676474 /nfs/dbraw/zinc/67/64/74/313676474.db2.gz GBGSLSAURRPLPC-UHFFFAOYSA-N -2 0 331.349 3.240 20 0 EGADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c(Cl)cc1F ZINC000541804170 314490115 /nfs/dbraw/zinc/49/01/15/314490115.db2.gz DYIHCZHHGHSYHR-UHFFFAOYSA-N -2 0 343.763 3.287 20 0 EGADRL Cc1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)c1Cl ZINC000548521629 315021519 /nfs/dbraw/zinc/02/15/19/315021519.db2.gz FTUPEHCQJGAIPQ-UHFFFAOYSA-N -2 0 343.763 3.287 20 0 EGADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1sc(C)cc1C ZINC000562382948 315826149 /nfs/dbraw/zinc/82/61/49/315826149.db2.gz ZIBJRNBIKTYLOX-UHFFFAOYSA-N -2 0 339.438 3.426 20 0 EGADRL CC(C)c1n[n-]c(=NCc2cccc(-c3nc(C(=O)[O-])cs3)c2)o1 ZINC000563213270 315978682 /nfs/dbraw/zinc/97/86/82/315978682.db2.gz CEBXCTRAGIQQRT-UHFFFAOYSA-N -2 0 344.396 3.049 20 0 EGADRL Cc1ccc(S(=O)(=O)[N-]c2cncc3ccccc32)cc1C(=O)[O-] ZINC000396509830 324293791 /nfs/dbraw/zinc/29/37/91/324293791.db2.gz DVZGUPPSILLJIE-UHFFFAOYSA-N -2 0 342.376 3.042 20 0 EGADRL O=C([O-])C1(CC(=O)Nc2ccc([N+](=O)[O-])cc2[O-])CCCCCC1 ZINC000029006805 453825820 /nfs/dbraw/zinc/82/58/20/453825820.db2.gz LBRDSXMZQYNLHH-UHFFFAOYSA-N -2 0 336.344 3.054 20 0 EGADRL Cc1cc(F)cc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1 ZINC000156367015 455110177 /nfs/dbraw/zinc/11/01/77/455110177.db2.gz YXENRMVEOUYLHH-UHFFFAOYSA-N -2 0 341.335 3.081 20 0 EGADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C)c1F ZINC000180516376 455187847 /nfs/dbraw/zinc/18/78/47/455187847.db2.gz LEGMPTVVYKBWTM-UHFFFAOYSA-N -2 0 337.372 3.196 20 0 EGADRL Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2F)c(C)c1 ZINC000320549070 456629996 /nfs/dbraw/zinc/62/99/96/456629996.db2.gz LURSSHRDKPDFBL-UHFFFAOYSA-N -2 0 337.372 3.250 20 0 EGADRL CC(C)c1cccc(N(C)S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC000433496588 457841522 /nfs/dbraw/zinc/84/15/22/457841522.db2.gz GGIAYHSUOCRHHG-UHFFFAOYSA-N -2 0 349.408 3.039 20 0 EGADRL CSc1cccc(C)c1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000471984252 458760474 /nfs/dbraw/zinc/76/04/74/458760474.db2.gz NAADEQSQPCWEHK-UHFFFAOYSA-N -2 0 343.451 3.277 20 0 EGADRL Cc1cc(F)c(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])cc1F ZINC000475737355 458963138 /nfs/dbraw/zinc/96/31/38/458963138.db2.gz CTMHWCGRKYXURE-UHFFFAOYSA-N -2 0 341.335 3.081 20 0 EGADRL CCc1cccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000484554884 459419274 /nfs/dbraw/zinc/41/92/74/459419274.db2.gz CXRBCCNYBJNMOS-UHFFFAOYSA-N -2 0 339.800 3.401 20 0 EGADRL O=C([O-])c1ccc(-c2ccc3c(c2)CCCO3)cc1C1(C(=O)[O-])CC1 ZINC000657206278 461990113 /nfs/dbraw/zinc/99/01/13/461990113.db2.gz HSFHFXMXWWKAQE-UHFFFAOYSA-N -2 0 338.359 3.493 20 0 EGADRL O=C([O-])CC[C@H](NC(=O)CC1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC000739660241 576493821 /nfs/dbraw/zinc/49/38/21/576493821.db2.gz VHNHDMXTFBFYIS-HNNXBMFYSA-N -2 0 347.411 3.134 20 0 EGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccsc2)c(Cl)cc1F ZINC000743260398 576804482 /nfs/dbraw/zinc/80/44/82/576804482.db2.gz DTFZVWWDRRVKKU-UHFFFAOYSA-N -2 0 335.765 3.040 20 0 EGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cnc2ccccc2c1 ZINC000391682844 599905807 /nfs/dbraw/zinc/90/58/07/599905807.db2.gz UXYWGSWTEBQWHX-UHFFFAOYSA-N -2 0 342.376 3.042 20 0 EGADRL O=C([O-])[C@H](OC(=O)c1c(F)cc([O-])cc1F)c1cccc(Cl)c1 ZINC000833350791 601189469 /nfs/dbraw/zinc/18/94/69/601189469.db2.gz LNOAUNRWUMWMAG-CYBMUJFWSA-N -2 0 342.681 3.307 20 0 EGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)s1 ZINC000035426826 601357543 /nfs/dbraw/zinc/35/75/43/601357543.db2.gz MNEAYDVELSPIQD-UHFFFAOYSA-N -2 0 335.765 3.040 20 0 EGADRL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2csnc2C(=O)[O-])s1 ZINC000833449085 604925209 /nfs/dbraw/zinc/92/52/09/604925209.db2.gz GWUWBDWDYZFOTK-UHFFFAOYSA-N -2 0 346.455 3.001 20 0 EGADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000833741244 605126373 /nfs/dbraw/zinc/12/63/73/605126373.db2.gz DLVNGCGCTUBXLO-UHFFFAOYSA-N -2 0 348.405 3.104 20 0 EGADRL Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1 ZINC000322476453 1297191443 /nfs/dbraw/zinc/19/14/43/1297191443.db2.gz IWNRVGGTAUMQML-UHFFFAOYSA-N -2 0 341.335 3.081 20 0 EGADRL O=C([O-])CCCOc1ccc(-c2ccccc2[C@@H](O)CC(=O)[O-])cc1 ZINC000849474915 1322122859 /nfs/dbraw/zinc/12/28/59/1322122859.db2.gz HOIZAZTWMUIHNL-KRWDZBQOSA-N -2 0 344.363 3.105 20 0 EGADRL Cc1ccc(O[C@@H](C)C(=O)[O-])c(-c2ccccc2[C@H](O)CC(=O)[O-])c1 ZINC000849474959 1322123082 /nfs/dbraw/zinc/12/30/82/1322123082.db2.gz IBRHIYZISWXNBF-BLLLJJGKSA-N -2 0 344.363 3.022 20 0 EGADRL CC(C)(O)c1ccc(-c2ccc(C(=O)[O-])c(C3(C(=O)[O-])CC3)c2)cc1 ZINC000849476756 1322123442 /nfs/dbraw/zinc/12/34/42/1322123442.db2.gz XYJLJPKFQZXHAS-UHFFFAOYSA-N -2 0 340.375 3.395 20 0 EGADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C)c(F)c(F)c1 ZINC001185919253 1387827190 /nfs/dbraw/zinc/82/71/90/1387827190.db2.gz XIYUHZXGAGVBRP-UHFFFAOYSA-N -2 0 341.335 3.081 20 0 EGADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(F)c(C)c(F)c1 ZINC001185908928 1387826302 /nfs/dbraw/zinc/82/63/02/1387826302.db2.gz CHSGGMZJZNWLGD-UHFFFAOYSA-N -2 0 341.335 3.081 20 0 EGADRL Cc1ccc(CN(C)C(=O)c2ccccc2OP(=O)([O-])[O-])cc1C ZINC001189887820 1367123231 /nfs/dbraw/zinc/12/32/31/1367123231.db2.gz SEYYFKOQDIIMHD-UHFFFAOYSA-N -2 0 349.323 3.047 20 0 EGADRL C[C@H](Oc1cc2cc(S(=O)(=O)[O-])ccc2cc1O)C1=CC=C[CH]1 ZINC001227636392 1375457196 /nfs/dbraw/zinc/45/71/96/1375457196.db2.gz YXUPUJPVVARQQU-NSHDSACASA-N -2 0 331.369 3.260 20 0 EGADRL CC[C@H](C)c1ccc(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])cc1 ZINC001148915649 1379297607 /nfs/dbraw/zinc/29/76/07/1379297607.db2.gz WPEUNIQWJFHGLQ-NSHDSACASA-N -2 0 349.408 3.405 20 0 EGADRL CO/C=C/c1ccc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)cc1 ZINC001167938996 1383772877 /nfs/dbraw/zinc/77/28/77/1383772877.db2.gz LNQURHBFWBMNHH-ZHACJKMWSA-N -2 0 345.335 3.388 20 0 EGADRL O=C([O-])c1ccc(Nc2ccc(S(=O)(=O)[O-])cc2)cc1Cl ZINC001175319777 1385251371 /nfs/dbraw/zinc/25/13/71/1385251371.db2.gz FOVFMFAYBJXCFI-UHFFFAOYSA-N -2 0 327.745 3.029 20 0 EGADRL O=C([O-])c1cc(Nc2cc(-c3ccncn3)cs2)cc(C(=O)[O-])c1 ZINC001176237880 1385523694 /nfs/dbraw/zinc/52/36/94/1385523694.db2.gz DPBJSVWCNAVELJ-UHFFFAOYSA-N -2 0 341.348 3.345 20 0 EGADRL Cc1cccc(-n2nccc2Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176239533 1385523965 /nfs/dbraw/zinc/52/39/65/1385523965.db2.gz PQYIXBVTGDFRQW-UHFFFAOYSA-N -2 0 337.335 3.321 20 0 EGADRL O=C([O-])c1cc(Nc2ccnn2-c2cccc(F)c2)cc(C(=O)[O-])c1 ZINC001176239086 1385523968 /nfs/dbraw/zinc/52/39/68/1385523968.db2.gz MHVURVCAEVNXKJ-UHFFFAOYSA-N -2 0 341.298 3.151 20 0 EGADRL Cc1cc2nsnc2cc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176244629 1385525307 /nfs/dbraw/zinc/52/53/07/1385525307.db2.gz MHFHFRYGTFTSMB-UHFFFAOYSA-N -2 0 329.337 3.140 20 0 EGADRL CO[C@@H]1CCOc2c(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)cccc21 ZINC001176244158 1385525679 /nfs/dbraw/zinc/52/56/79/1385525679.db2.gz HCTIPQYMQJVFSS-OAHLLOKOSA-N -2 0 343.335 3.297 20 0 EGADRL C[C@@H]1C[C@H](C)N(C(=O)c2ccc([O-])c(Cl)c2)[C@@H](C)[C@@H]1C(=O)[O-] ZINC001349986980 1391395086 /nfs/dbraw/zinc/39/50/86/1391395086.db2.gz SZMZITJIRIORCA-MAGOMRGPSA-N -2 0 325.792 3.005 20 0 EGADRL CC[C@@H](NC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])C(=O)[O-] ZINC001593604820 953427509 /nfs/dbraw/zinc/42/75/09/953427509.db2.gz BEGLQRBBGBPEQV-CQSZACIVSA-N -2 0 333.771 3.306 20 0 EGADRL Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])s1 ZINC000035426944 957211600 /nfs/dbraw/zinc/21/16/00/957211600.db2.gz YKBONAGNNMHTML-UHFFFAOYSA-N -2 0 331.802 3.209 20 0 EGADRL Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1ccc(C(=O)[O-])cc1)CC2 ZINC000041575014 957390023 /nfs/dbraw/zinc/39/00/23/957390023.db2.gz QQGXOTCATNMTNV-WQLSENKSSA-N -2 0 326.304 3.197 20 0 EGADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1nc(C(C)C)cs1 ZINC000226472117 959883864 /nfs/dbraw/zinc/88/38/64/959883864.db2.gz SYRLXDQALKENBG-UHFFFAOYSA-N -2 0 346.455 3.135 20 0 EGADRL CC(C)c1nc(NC(=O)c2c([O-])cc(F)cc2F)sc1C(=O)[O-] ZINC001592028498 976728622 /nfs/dbraw/zinc/72/86/22/976728622.db2.gz KWUJVGZWAXKEJF-UHFFFAOYSA-N -2 0 342.323 3.201 20 0 EGADRL CCOc1cc(C(=O)N[C@H](C[C@@H](C)CC)C(=O)[O-])cc(Cl)c1O ZINC000909861849 981685946 /nfs/dbraw/zinc/68/59/46/981685946.db2.gz IMNKFLITOSEPOG-JOYOIKCWSA-N -2 0 343.807 3.064 20 0 EGADRL CC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC001589255566 985893128 /nfs/dbraw/zinc/89/31/28/985893128.db2.gz YBJMJIGYYUADGB-UHFFFAOYSA-N -2 0 347.392 3.005 20 0 EGADRL C[C@H](C(=O)[O-])c1cccc(NC(=O)CC2(C(=O)[O-])CCCCC2)c1 ZINC001589522271 987175888 /nfs/dbraw/zinc/17/58/88/987175888.db2.gz JLFMZBNYCYKFCY-LBPRGKRZSA-N -2 0 333.384 3.238 20 0 EGADRL CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001589704698 987813876 /nfs/dbraw/zinc/81/38/76/987813876.db2.gz PCKQLBHHLLDANV-SNVBAGLBSA-N -2 0 333.306 3.030 20 0 EGADRL C[C@H]1CC[C@@](NC(=O)c2cccc(F)c2[O-])(C(=O)[O-])c2ccccc21 ZINC001594322513 999243113 /nfs/dbraw/zinc/24/31/13/999243113.db2.gz MWMJVDPCWWCGBJ-WLRWDXFRSA-N -2 0 343.354 3.139 20 0 EGADRL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2ccsc2)cc1)C(=O)[O-] ZINC000349074654 156344662 /nfs/dbraw/zinc/34/46/62/156344662.db2.gz JNAQRPLTYNPTRR-SECBINFHSA-N -2 0 343.451 3.114 20 0 EGADRL CCc1ccc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)cc1C(=O)[O-] ZINC000547499709 314909388 /nfs/dbraw/zinc/90/93/88/314909388.db2.gz QIHXVXCMVSQJKI-UHFFFAOYSA-N -2 0 344.392 3.229 20 0 EGADRL Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C(F)F)cc1 ZINC000548768334 315044740 /nfs/dbraw/zinc/04/47/40/315044740.db2.gz ZDKDEQHJNDHPRC-UHFFFAOYSA-N -2 0 341.335 3.432 20 0 EGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c(Cl)c1 ZINC000386633509 324268628 /nfs/dbraw/zinc/26/86/28/324268628.db2.gz VDRRTJPTOVKOAF-UHFFFAOYSA-N -2 0 346.191 3.492 20 0 EGADRL CC(C)C[C@@H](CNC(=O)c1c([O-])cc(Cl)cc1Cl)C(=O)[O-] ZINC000580311193 325232165 /nfs/dbraw/zinc/23/21/65/325232165.db2.gz AHDPOGBDNXAJMS-QMMMGPOBSA-N -2 0 334.199 3.176 20 0 EGADRL CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccsc1 ZINC000350035832 457150641 /nfs/dbraw/zinc/15/06/41/457150641.db2.gz OTLXNEBZHNVFCI-UHFFFAOYSA-N -2 0 325.411 3.371 20 0 EGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(Cl)c2F)c1 ZINC000013300965 453458045 /nfs/dbraw/zinc/45/80/45/453458045.db2.gz QPGGOCGNKLVBOW-UHFFFAOYSA-N -2 0 335.765 3.040 20 0 EGADRL O=S(=O)(CCOc1ccc(F)cc1)[N-]c1cccc(Cl)c1[O-] ZINC000172895229 455204971 /nfs/dbraw/zinc/20/49/71/455204971.db2.gz UYRLSOMRDBCQDO-UHFFFAOYSA-N -2 0 345.779 3.005 20 0 EGADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000185193109 455518654 /nfs/dbraw/zinc/51/86/54/455518654.db2.gz RVKTVCPCRKPMAK-UHFFFAOYSA-N -2 0 348.355 3.114 20 0 EGADRL CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000326407880 456694080 /nfs/dbraw/zinc/69/40/80/456694080.db2.gz MVXPHEDFDDYPJA-UHFFFAOYSA-N -2 0 349.408 3.283 20 0 EGADRL CCc1ccc([O-])c(C(=O)N=c2nc(Cc3ccccc3)[n-]s2)c1 ZINC000503066635 458691331 /nfs/dbraw/zinc/69/13/31/458691331.db2.gz WBIQABIOPOZWAO-UHFFFAOYSA-N -2 0 339.420 3.071 20 0 EGADRL C[C@@](CN=c1nc(C2CCCC2)[n-]s1)(C(=O)[O-])c1ccccc1 ZINC000650776771 461948397 /nfs/dbraw/zinc/94/83/97/461948397.db2.gz IIOPSQGOPJIJHM-KRWDZBQOSA-N -2 0 331.441 3.072 20 0 EGADRL Cc1cc([N-]S(=O)(=O)c2ccc(Cl)s2)cc(C(=O)[O-])c1 ZINC000507568879 548008945 /nfs/dbraw/zinc/00/89/45/548008945.db2.gz UQIGNWCOLCGPFW-UHFFFAOYSA-N -2 0 331.802 3.209 20 0 EGADRL C[C@](CC(=O)[O-])(C(=O)Nc1ccc(CC(=O)[O-])cc1)C1CCCCC1 ZINC000736549464 575982388 /nfs/dbraw/zinc/98/23/88/575982388.db2.gz KJDMJMOFLSVSFH-LJQANCHMSA-N -2 0 347.411 3.314 20 0 EGADRL Cc1cc(C(=O)[O-])c2sc(NC(=O)c3cc(C(C)C)no3)nc2n1 ZINC000738346592 576316092 /nfs/dbraw/zinc/31/60/92/576316092.db2.gz YNVZZFYNUQACDL-UHFFFAOYSA-N -2 0 346.368 3.062 20 0 EGADRL O=C([O-])Nc1cc([N-]S(=O)(=O)c2ccccc2Cl)ccc1F ZINC000740013409 576532052 /nfs/dbraw/zinc/53/20/52/576532052.db2.gz OENZYTZJJWDBGR-UHFFFAOYSA-N -2 0 344.751 3.370 20 0 EGADRL CCc1cccc(CC)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000072890056 600544408 /nfs/dbraw/zinc/54/44/08/600544408.db2.gz FUSSNXTXSDKAOS-UHFFFAOYSA-N -2 0 339.438 3.372 20 0 EGADRL CC(C)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)c1 ZINC000827134332 602115344 /nfs/dbraw/zinc/11/53/44/602115344.db2.gz RNKXPNHEUCWXSS-UHFFFAOYSA-N -2 0 325.411 3.371 20 0 EGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)cc2C)c1F ZINC000749143460 1299152892 /nfs/dbraw/zinc/15/28/92/1299152892.db2.gz VQOXYFLQSFRWHU-UHFFFAOYSA-N -2 0 341.335 3.081 20 0 EGADRL O=C([O-])C12CCC(C(=O)Nc3cc(Cl)c([O-])cc3F)(CC1)C2 ZINC000911422497 1318738696 /nfs/dbraw/zinc/73/86/96/1318738696.db2.gz ZHTWBWCIJFSMHK-UHFFFAOYSA-N -2 0 327.739 3.158 20 0 EGADRL C[C@H]1C[C@H](NC(=O)c2ccccc2OP(=O)([O-])[O-])c2ccccc21 ZINC001189900023 1367126056 /nfs/dbraw/zinc/12/60/56/1367126056.db2.gz NERNLYJGUUSTFV-NHYWBVRUSA-N -2 0 347.307 3.136 20 0 EGADRL O=S(=O)([N-]c1cc(Cl)ccc1[S-])c1cnccc1Cl ZINC001192882803 1367895664 /nfs/dbraw/zinc/89/56/64/1367895664.db2.gz BPQBCFIOLJAIEX-UHFFFAOYSA-N -2 0 335.237 3.478 20 0 EGADRL O=S(=O)(Cc1c(F)cccc1F)[N-]c1cccc(Cl)c1[O-] ZINC001197600429 1368851062 /nfs/dbraw/zinc/85/10/62/1368851062.db2.gz MDBIQJUWGQROKC-UHFFFAOYSA-N -2 0 333.743 3.266 20 0 EGADRL Cc1cc(C)c(Nc2ccc(C)c(C(=O)[O-])c2)c(S(=O)(=O)[O-])c1 ZINC001211606355 1372589577 /nfs/dbraw/zinc/58/95/77/1372589577.db2.gz NIKQRACSDNOXGD-UHFFFAOYSA-N -2 0 335.381 3.300 20 0 EGADRL Cc1c(Cl)c(Nc2ccc(S(=O)(=O)[O-])cc2)ccc1C(=O)[O-] ZINC001215692363 1373232388 /nfs/dbraw/zinc/23/23/88/1373232388.db2.gz KOJNQKWEUNYUFR-UHFFFAOYSA-N -2 0 341.772 3.337 20 0 EGADRL O=C([O-])c1cc(Nc2ncccc2N2CCCCC2)cc(C(=O)[O-])c1 ZINC001176237531 1385523190 /nfs/dbraw/zinc/52/31/90/1385523190.db2.gz IONKPWYUFKZMQB-UHFFFAOYSA-N -2 0 341.367 3.212 20 0 EGADRL CC(=O)Nc1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1Cl ZINC001176241277 1385524965 /nfs/dbraw/zinc/52/49/65/1385524965.db2.gz DKKPJHQHMIJBFG-UHFFFAOYSA-N -2 0 348.742 3.438 20 0 EGADRL O=C([O-])[C@@]1(C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)CC=CCC1 ZINC001594868138 954323991 /nfs/dbraw/zinc/32/39/91/954323991.db2.gz 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ZINC001589522013 987173325 /nfs/dbraw/zinc/17/33/25/987173325.db2.gz HXUYXOPONPINDD-LRDDRELGSA-N -2 0 341.363 3.072 20 0 EGADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC001597785935 989307888 /nfs/dbraw/zinc/30/78/88/989307888.db2.gz VDXAGOOAJPJTHU-UHFFFAOYSA-N -2 0 347.751 3.134 20 0 EGADRL CC(C)(C)c1nc(NC(=O)c2cccc(C(=O)[O-])c2)sc1C(=O)[O-] ZINC001590544005 990173660 /nfs/dbraw/zinc/17/36/60/990173660.db2.gz ATMBWHVXFPFNOK-UHFFFAOYSA-N -2 0 348.380 3.089 20 0 EGADRL CSCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000353025416 141287548 /nfs/dbraw/zinc/28/75/48/141287548.db2.gz IEBMTJKFRGOYAM-UHFFFAOYSA-N -2 0 343.451 3.110 20 0 EGADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)s1 ZINC000315219388 154157047 /nfs/dbraw/zinc/15/70/47/154157047.db2.gz NVMGOSVMJNECBO-UHFFFAOYSA-N -2 0 329.374 3.003 20 0 EGADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c1 ZINC000156316814 307831008 /nfs/dbraw/zinc/83/10/08/307831008.db2.gz ZONCKVLNSSZGCU-UHFFFAOYSA-N -2 0 348.355 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EGADRL Cc1ccc2nc([N-]S(=O)(=O)c3ccccc3C(=O)[O-])ccc2c1 ZINC001198738589 1369102309 /nfs/dbraw/zinc/10/23/09/1369102309.db2.gz ACFMZGOPANCMOL-UHFFFAOYSA-N -2 0 342.376 3.042 20 0 EGADRL COc1cc(S(=O)(=O)Nc2cc(O)c(Cl)cc2F)ccc1F ZINC001200491670 1369379560 /nfs/dbraw/zinc/37/95/60/1369379560.db2.gz KMFOPRMMVUOZCP-UHFFFAOYSA-N -2 0 349.742 3.133 20 0 EGADRL O=C([O-])c1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c(F)c1F ZINC001212516836 1372718702 /nfs/dbraw/zinc/71/87/02/1372718702.db2.gz WAVVODPZDUVORD-UHFFFAOYSA-N -2 0 331.278 3.298 20 0 EGADRL O=C(N=c1cc[nH]cc1C(F)(F)F)c1c([O-])cc2ccccc2c1[O-] ZINC001154019610 1380181928 /nfs/dbraw/zinc/18/19/28/1380181928.db2.gz RRAYQUUSECRUKB-UHFFFAOYSA-N -2 0 348.280 3.339 20 0 EGADRL Cc1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)n(-c2ccccc2)n1 ZINC001176236699 1385523336 /nfs/dbraw/zinc/52/33/36/1385523336.db2.gz FHNAHMJYZWLEBX-UHFFFAOYSA-N -2 0 337.335 3.321 20 0 EGADRL O=C([O-])c1cc(Nc2csc(-c3ccncc3)n2)cc(C(=O)[O-])c1 ZINC001176238171 1385523717 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Cc1csc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000128296540 958654704 /nfs/dbraw/zinc/65/47/04/958654704.db2.gz QQXRZDYXRBTPDQ-UHFFFAOYSA-N -2 0 331.802 3.209 20 0 EGADRL CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1c([O-])cccc1F ZINC001591769762 975897925 /nfs/dbraw/zinc/89/79/25/975897925.db2.gz ZTFIWCCQRHJGSS-UHFFFAOYSA-N -2 0 333.315 3.269 20 0 EGADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2cc[nH]c21 ZINC000793406492 978807296 /nfs/dbraw/zinc/80/72/96/978807296.db2.gz CAQXRFYNCYKYHA-UHFFFAOYSA-N -2 0 348.355 3.114 20 0 EGADRL C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cc(O)ccc1Cl ZINC001599831753 988685667 /nfs/dbraw/zinc/68/56/67/988685667.db2.gz DEGZDVSYAHGAGG-NSHDSACASA-N -2 0 333.771 3.161 20 0 EGADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc1F ZINC000355788046 166309602 /nfs/dbraw/zinc/30/96/02/166309602.db2.gz UFWMUSHZANXWSO-UHFFFAOYSA-N -2 0 341.335 3.081 20 0 EGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1C1CC1 ZINC000359092775 167064634 /nfs/dbraw/zinc/06/46/34/167064634.db2.gz YCFDOQVAZUCIIP-UHFFFAOYSA-N -2 0 337.422 3.433 20 0 EGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1Cl ZINC000048567811 275146635 /nfs/dbraw/zinc/14/66/35/275146635.db2.gz PRRXUKIHEDRSDE-UHFFFAOYSA-N -2 0 346.191 3.492 20 0 EGADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(C)c(F)c2)c1 ZINC000156260046 307829829 /nfs/dbraw/zinc/82/98/29/307829829.db2.gz UAYCTXMVZBYHGV-UHFFFAOYSA-N -2 0 341.335 3.081 20 0 EGADRL CCc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)c(C(=O)[O-])c1 ZINC000323354981 308768583 /nfs/dbraw/zinc/76/85/83/308768583.db2.gz UVFJCMNXVAMTPH-UHFFFAOYSA-N -2 0 341.335 3.026 20 0 EGADRL Cc1csc(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)c1 ZINC000451034118 310156972 /nfs/dbraw/zinc/15/69/72/310156972.db2.gz CGQVLKYDVRLSGI-NSHDSACASA-N -2 0 339.438 3.436 20 0 EGADRL Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000547631735 314919755 /nfs/dbraw/zinc/91/97/55/314919755.db2.gz VHWGIZMHENHWET-UHFFFAOYSA-N -2 0 342.376 3.042 20 0 EGADRL CCc1ccc(S(=O)(=O)[N-]c2c(C)ccc(F)c2C(=O)[O-])s1 ZINC000548537475 315022282 /nfs/dbraw/zinc/02/22/82/315022282.db2.gz YJZKMGXNCOBNRB-UHFFFAOYSA-N -2 0 343.401 3.257 20 0 EGADRL COc1cc(-c2ccc(C(CC(=O)[O-])CC(=O)[O-])cc2C)sn1 ZINC000578206063 324935629 /nfs/dbraw/zinc/93/56/29/324935629.db2.gz FWEUNEFOBQOROL-UHFFFAOYSA-N -2 0 335.381 3.160 20 0 EGADRL O=C([O-])C/C(=C/c1ccc([O-])c([N+](=O)[O-])c1)c1nc2ccccc2o1 ZINC000026764152 453805175 /nfs/dbraw/zinc/80/51/75/453805175.db2.gz LYVIWVLGSAMBAL-XFFZJAGNSA-N -2 0 340.291 3.457 20 0 EGADRL O=C([O-])CC1(CC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCCCC1 ZINC000029004423 453825794 /nfs/dbraw/zinc/82/57/94/453825794.db2.gz CULZYJAWTGWMFL-UHFFFAOYSA-N -2 0 336.344 3.054 20 0 EGADRL Cc1cccc([N-]S(=O)(=O)c2cc3ccccc3o2)c1C(=O)[O-] ZINC000084920578 454015229 /nfs/dbraw/zinc/01/52/29/454015229.db2.gz VTSHJBUKJROYHU-UHFFFAOYSA-N -2 0 331.349 3.240 20 0 EGADRL CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)s1 ZINC000044750118 454117578 /nfs/dbraw/zinc/11/75/78/454117578.db2.gz GBZOJRXIEYSRHV-UHFFFAOYSA-N -2 0 325.411 3.118 20 0 EGADRL Cc1c([N-]S(=O)(=O)c2ccc(Cl)s2)cccc1C(=O)[O-] ZINC000059880786 454263570 /nfs/dbraw/zinc/26/35/70/454263570.db2.gz HAHVSKPOVZIUJR-UHFFFAOYSA-N -2 0 331.802 3.209 20 0 EGADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000124448337 454734298 /nfs/dbraw/zinc/73/42/98/454734298.db2.gz SKWPNWZVKSODFY-UHFFFAOYSA-N -2 0 339.800 3.456 20 0 EGADRL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000125419926 454820708 /nfs/dbraw/zinc/82/07/08/454820708.db2.gz QDZVVQBIIBQZNQ-UHFFFAOYSA-N -2 0 347.726 3.117 20 0 EGADRL Cc1cc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)ccc1C(=O)[O-] ZINC000185237469 455526604 /nfs/dbraw/zinc/52/66/04/455526604.db2.gz ICYYEHMFRMQTAZ-UHFFFAOYSA-N -2 0 348.355 3.114 20 0 EGADRL CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)cc1 ZINC000319691673 456622856 /nfs/dbraw/zinc/62/28/56/456622856.db2.gz BTYXZNFTEGTMRD-UHFFFAOYSA-N -2 0 335.381 3.015 20 0 EGADRL CCOc1ccc(S(=O)(=O)Nc2ccc(CC)cc2C(=O)[O-])cc1 ZINC000326778635 456699947 /nfs/dbraw/zinc/69/99/47/456699947.db2.gz TXYOUNSOEJXIQQ-UHFFFAOYSA-N -2 0 349.408 3.147 20 0 EGADRL Cc1cccc(S(=O)(=O)[N-]c2c(C)ccc(F)c2C(=O)[O-])c1F ZINC000547555195 458759889 /nfs/dbraw/zinc/75/98/89/458759889.db2.gz FUIYGCNQRBJTSN-UHFFFAOYSA-N -2 0 341.335 3.081 20 0 EGADRL COc1ccc(-c2ccc(C(=O)[O-])c(C3(C(=O)[O-])CC3)c2)c(C)c1 ZINC000516089021 458814143 /nfs/dbraw/zinc/81/41/43/458814143.db2.gz MZRRFFDYPUWVMA-UHFFFAOYSA-N -2 0 326.348 3.485 20 0 EGADRL C[C@@H](N=c1nc(C2CCCCC2)[n-]s1)c1ncc(C(=O)[O-])s1 ZINC000567616498 459133873 /nfs/dbraw/zinc/13/38/73/459133873.db2.gz BEKNGYUCPBXXEB-MRVPVSSYSA-N -2 0 338.458 3.336 20 0 EGADRL COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cccc(C)c1C(=O)[O-] ZINC000569917388 459530686 /nfs/dbraw/zinc/53/06/86/459530686.db2.gz ZYXHJSMYEISSOE-UHFFFAOYSA-N -2 0 349.408 3.119 20 0 EGADRL Cc1cc(C(CC(=O)[O-])CC(=O)[O-])ccc1-c1ccc(CO)cc1 ZINC000657206145 461990195 /nfs/dbraw/zinc/99/01/95/461990195.db2.gz RNVQWFIWGHMAIS-UHFFFAOYSA-N -2 0 328.364 3.187 20 0 EGADRL Cc1cccc(C[C@@H](CNC(=O)c2ccc([O-])c(Cl)c2)C(=O)[O-])c1 ZINC000738711706 575248274 /nfs/dbraw/zinc/24/82/74/575248274.db2.gz NZFARVVXUKSKKB-AWEZNQCLSA-N -2 0 347.798 3.027 20 0 EGADRL C[C@](CC(=O)[O-])(C(=O)Nc1ccccc1C(=O)[O-])C1CCCCC1 ZINC000736548937 575982494 /nfs/dbraw/zinc/98/24/94/575982494.db2.gz GBALJTPXOFQBGT-GOSISDBHSA-N -2 0 333.384 3.385 20 0 EGADRL C[C@@H](CCC1CCCCC1)NS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736564051 575985317 /nfs/dbraw/zinc/98/53/17/575985317.db2.gz WKJINNZGBHJIRR-NSHDSACASA-N -2 0 329.418 3.005 20 0 EGADRL O=C([O-])C1CCC(NC(=O)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000738481212 576330096 /nfs/dbraw/zinc/33/00/96/576330096.db2.gz IALZGDVFRQZTCZ-UHFFFAOYSA-N -2 0 332.183 3.072 20 0 EGADRL Cc1cc(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)c(C(=O)[O-])[nH]1 ZINC000322167543 600176108 /nfs/dbraw/zinc/17/61/08/600176108.db2.gz WYBYKBFPRUKRTF-UHFFFAOYSA-N -2 0 336.413 3.056 20 0 EGADRL O=C([O-])CCCc1csc(NC(=O)c2ccc(Cl)cc2[O-])n1 ZINC000316079780 601741336 /nfs/dbraw/zinc/74/13/36/601741336.db2.gz GUXUDYXASRHANS-UHFFFAOYSA-N -2 0 340.788 3.162 20 0 EGADRL O=C([O-])c1ccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1F ZINC000326053317 601878185 /nfs/dbraw/zinc/87/81/85/601878185.db2.gz BZAUWKQTSZDJLP-UHFFFAOYSA-N -2 0 326.283 3.030 20 0 EGADRL C[C@H](Oc1ccc(/C=C\c2ncc(/C=C/C(=O)[O-])s2)cc1)C(=O)[O-] ZINC000794700217 602112210 /nfs/dbraw/zinc/11/22/10/602112210.db2.gz HMWPUGBSIQTOLZ-VNAYITFCSA-N -2 0 345.376 3.263 20 0 EGADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000833741462 605127547 /nfs/dbraw/zinc/12/75/47/605127547.db2.gz OATPEBUXVIVXQH-UHFFFAOYSA-N -2 0 331.802 3.209 20 0 EGADRL C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cccc(Cl)c1[O-])c1ccccc1 ZINC000833413316 605254931 /nfs/dbraw/zinc/25/49/31/605254931.db2.gz ZCRVCPBKRJJMEC-IINYFYTJSA-N -2 0 333.771 3.237 20 0 EGADRL Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC000182493332 1295054312 /nfs/dbraw/zinc/05/43/12/1295054312.db2.gz MOMXKSJZXLBNQJ-UHFFFAOYSA-N -2 0 342.760 3.063 20 0 EGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c1F ZINC000749144208 1299152283 /nfs/dbraw/zinc/15/22/83/1299152283.db2.gz VCJJIYFCEWAXEO-UHFFFAOYSA-N -2 0 348.355 3.114 20 0 EGADRL CCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000749142986 1299153268 /nfs/dbraw/zinc/15/32/68/1299153268.db2.gz UODCLEGYZOWDDF-UHFFFAOYSA-N -2 0 337.372 3.196 20 0 EGADRL CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)ccc1F ZINC000795365769 1309734825 /nfs/dbraw/zinc/73/48/25/1309734825.db2.gz CQBXTJUAARXANF-UHFFFAOYSA-N -2 0 341.335 3.026 20 0 EGADRL C[C@H](O[N-]C(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1)c1ccccc1 ZINC000907849039 1318273564 /nfs/dbraw/zinc/27/35/64/1318273564.db2.gz BWNYMRZKALQYHJ-CRFBAAHOSA-N -2 0 325.364 3.054 20 0 EGADRL CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc([O-])c(F)c(F)c2)c1 ZINC001192821312 1367882046 /nfs/dbraw/zinc/88/20/46/1367882046.db2.gz MLWWJHBIGNOMBL-UHFFFAOYSA-N -2 0 343.351 3.042 20 0 EGADRL O=C(Nc1cc(Br)ccc1O)c1ccc(F)c([O-])c1F ZINC001193783924 1368114601 /nfs/dbraw/zinc/11/46/01/1368114601.db2.gz GVJXWPAKRJDFBU-UHFFFAOYSA-N -2 0 344.111 3.391 20 0 EGADRL COc1cc([N-]S(=O)(=O)c2ccc(C)cc2F)ccc1[S-] ZINC001196386479 1368603095 /nfs/dbraw/zinc/60/30/95/1368603095.db2.gz BWOOQMWLRLIVMK-UHFFFAOYSA-N -2 0 327.402 3.232 20 0 EGADRL O=C([O-])c1ccc(Nc2cc(=O)[n-]c(Cl)n2)cc1C(F)(F)F ZINC001211481570 1372566899 /nfs/dbraw/zinc/56/68/99/1372566899.db2.gz JQBFEHODGBIIER-UHFFFAOYSA-N -2 0 333.653 3.296 20 0 EGADRL Cc1cc(C)c(Nc2ccc(C(=O)[O-])c(C)c2)c(S(=O)(=O)[O-])c1 ZINC001211658468 1372598012 /nfs/dbraw/zinc/59/80/12/1372598012.db2.gz OXMXYJUJDZGDFM-UHFFFAOYSA-N -2 0 335.381 3.300 20 0 EGADRL O=C([O-])c1cc(F)c([N-]c2nnc(Br)s2)c(F)c1 ZINC001215609921 1373217107 /nfs/dbraw/zinc/21/71/07/1373217107.db2.gz WRTUXFMGTVMXBM-UHFFFAOYSA-N -2 0 336.117 3.021 20 0 EGADRL Cc1c(Cl)c(Nc2cccc(S(=O)(=O)[O-])c2)ccc1C(=O)[O-] ZINC001215692451 1373232720 /nfs/dbraw/zinc/23/27/20/1373232720.db2.gz KHYIALHNTSXCND-UHFFFAOYSA-N -2 0 341.772 3.337 20 0 EGADRL O=C([O-])c1cc(Nc2cn3c(cccc3Cl)n2)cc(C(=O)[O-])c1 ZINC001176238058 1385523645 /nfs/dbraw/zinc/52/36/45/1385523645.db2.gz MFJOGSICKFPGMK-UHFFFAOYSA-N -2 0 331.715 3.128 20 0 EGADRL Cc1csc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000323238444 970980485 /nfs/dbraw/zinc/98/04/85/970980485.db2.gz BXFFQIGYDPQBBA-UHFFFAOYSA-N -2 0 348.405 3.104 20 0 EGADRL CC(C)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000038058548 957352736 /nfs/dbraw/zinc/35/27/36/957352736.db2.gz HXBRIQRHIDQLPD-UHFFFAOYSA-N -2 0 325.411 3.371 20 0 EGADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)cc1 ZINC001259212519 960664011 /nfs/dbraw/zinc/66/40/11/960664011.db2.gz PVUFBSJAEWEMCB-UHFFFAOYSA-N -2 0 343.763 3.287 20 0 EGADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1cccc2c1CCCC2 ZINC000314083262 963708338 /nfs/dbraw/zinc/70/83/38/963708338.db2.gz FQYQJASLHGWCRH-UHFFFAOYSA-N -2 0 337.422 3.126 20 0 EGADRL CC(C)c1ccc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)c(C(=O)[O-])c1 ZINC001591965151 976556270 /nfs/dbraw/zinc/55/62/70/976556270.db2.gz GXGGAFGPXIHTBV-GFCCVEGCSA-N -2 0 348.399 3.227 20 0 EGADRL CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001589704651 987814196 /nfs/dbraw/zinc/81/41/96/987814196.db2.gz OEQLIDNFGYPIGC-JTQLQIEISA-N -2 0 334.199 3.318 20 0 EGADRL CCc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2C(=O)[O-])cc1 ZINC001597557025 988293429 /nfs/dbraw/zinc/29/34/29/988293429.db2.gz SGHGBDVHAXNCQU-UHFFFAOYSA-N -2 0 339.800 3.401 20 0 EGADRL C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cccc(Cl)c1[O-] ZINC001599832441 988694026 /nfs/dbraw/zinc/69/40/26/988694026.db2.gz QHURDNKKUNZMOZ-NSHDSACASA-N -2 0 333.771 3.161 20 0 EGADRL Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)c(C(=O)[O-])c1 ZINC000036961280 213127766 /nfs/dbraw/zinc/12/77/66/213127766.db2.gz ACSWRKYXLUTDBW-UHFFFAOYSA-N -2 0 331.802 3.209 20 0 EGADRL Cc1coc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])oc3C)cc12 ZINC000187078134 144151957 /nfs/dbraw/zinc/15/19/57/144151957.db2.gz KGGQBQHLQHLEDU-UHFFFAOYSA-N -2 0 335.337 3.142 20 0 EGADRL Cc1ccc2cccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)c2n1 ZINC000324829262 154176791 /nfs/dbraw/zinc/17/67/91/154176791.db2.gz YSDNLOOLKXDXCO-UHFFFAOYSA-N -2 0 342.376 3.042 20 0 EGADRL CSCc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000340093762 155096268 /nfs/dbraw/zinc/09/62/68/155096268.db2.gz WHGLVMIENXLHFN-UHFFFAOYSA-N -2 0 343.451 3.110 20 0 EGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)c1 ZINC000337131067 163137683 /nfs/dbraw/zinc/13/76/83/163137683.db2.gz CGDSKBGYOIKMKD-UHFFFAOYSA-N -2 0 341.385 3.264 20 0 EGADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1Cl ZINC000013464608 275121009 /nfs/dbraw/zinc/12/10/09/275121009.db2.gz GDZCINCWSZGUSX-UHFFFAOYSA-N -2 0 325.773 3.147 20 0 EGADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cscc1C ZINC000395745496 308903745 /nfs/dbraw/zinc/90/37/45/308903745.db2.gz ZTORLLQFNFDHNJ-UHFFFAOYSA-N -2 0 325.411 3.118 20 0 EGADRL Cc1cc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)sc1C(=O)[O-] ZINC000548477447 315014192 /nfs/dbraw/zinc/01/41/92/315014192.db2.gz GNOAINTWXZTWGN-UHFFFAOYSA-N -2 0 336.394 3.037 20 0 EGADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000125487582 454825899 /nfs/dbraw/zinc/82/58/99/454825899.db2.gz JDGUKAKLVNFFTI-SNVBAGLBSA-N -2 0 325.411 3.127 20 0 EGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1scnc1C(C)C ZINC000583124957 325497124 /nfs/dbraw/zinc/49/71/24/325497124.db2.gz FDBRREDIICETGF-UHFFFAOYSA-N -2 0 346.455 3.135 20 0 EGADRL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c1 ZINC000012816171 453411291 /nfs/dbraw/zinc/41/12/91/453411291.db2.gz ULCDUSNAOJTETO-UHFFFAOYSA-N -2 0 342.376 3.042 20 0 EGADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000096697657 454376551 /nfs/dbraw/zinc/37/65/51/454376551.db2.gz JCFUNNYUYRECDN-UHFFFAOYSA-N -2 0 349.408 3.318 20 0 EGADRL Cc1c([N-]S(=O)(=O)c2cc(Cl)ccc2F)cccc1C(=O)[O-] ZINC000340731828 456655336 /nfs/dbraw/zinc/65/53/36/456655336.db2.gz CZUHIGCCQMLYPT-UHFFFAOYSA-N -2 0 343.763 3.287 20 0 EGADRL CCOc1ccccc1[N-]S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000348475528 456703586 /nfs/dbraw/zinc/70/35/86/456703586.db2.gz NZDZHJPGDNYFNP-UHFFFAOYSA-N -2 0 349.408 3.201 20 0 EGADRL CSc1ccc(C)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000342784384 457525345 /nfs/dbraw/zinc/52/53/45/457525345.db2.gz TVNGRWUGHHLZQL-UHFFFAOYSA-N -2 0 343.451 3.277 20 0 EGADRL C[C@](CC(=O)[O-])(C(=O)Nc1ccc(C(=O)[O-])cc1)C1CCCCC1 ZINC000736548426 575982478 /nfs/dbraw/zinc/98/24/78/575982478.db2.gz BSJHUWJYYRSGDT-GOSISDBHSA-N -2 0 333.384 3.385 20 0 EGADRL O=C([O-])[C@@H]1CC12CCN(C(=O)c1ccc(Cl)c(Cl)c1[O-])CC2 ZINC000739533675 576425562 /nfs/dbraw/zinc/42/55/62/576425562.db2.gz POGFIXUVYIZYKN-VIFPVBQESA-N -2 0 344.194 3.026 20 0 EGADRL O=C([O-])CC1(CC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CCCC1 ZINC000739635562 576436677 /nfs/dbraw/zinc/43/66/77/576436677.db2.gz UTFIVPDIXFIPES-UHFFFAOYSA-N -2 0 339.775 3.402 20 0 EGADRL O=C([O-])CCc1ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)cc1 ZINC000739755916 576503425 /nfs/dbraw/zinc/50/34/25/576503425.db2.gz BPOVVAKZEYIFPC-UHFFFAOYSA-N -2 0 333.384 3.068 20 0 EGADRL Cc1cc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)sc1C(=O)[O-] ZINC000386441581 599874955 /nfs/dbraw/zinc/87/49/55/599874955.db2.gz SQEZZTHBMYAGAD-UHFFFAOYSA-N -2 0 339.438 3.481 20 0 EGADRL Cc1ccc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)c2n1 ZINC000390959225 600099005 /nfs/dbraw/zinc/09/90/05/600099005.db2.gz XLGWKWMQKCXWNM-UHFFFAOYSA-N -2 0 348.405 3.104 20 0 EGADRL Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c(C(=O)[O-])[nH]1 ZINC000322117071 600175913 /nfs/dbraw/zinc/17/59/13/600175913.db2.gz KUMGXLGZCADODP-UHFFFAOYSA-N -2 0 336.413 3.120 20 0 EGADRL O=C([O-])c1cc(Cl)cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000388167554 600637281 /nfs/dbraw/zinc/63/72/81/600637281.db2.gz JULSZMGGMMYRGU-UHFFFAOYSA-N -2 0 347.726 3.117 20 0 EGADRL Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)c(F)c1 ZINC000404975197 600637801 /nfs/dbraw/zinc/63/78/01/600637801.db2.gz WRPOKFCMWFJVQJ-UHFFFAOYSA-N -2 0 343.763 3.287 20 0 EGADRL Cc1ccc2cccc(S(=O)(=O)[N-]c3ccsc3C(=O)[O-])c2n1 ZINC000832962155 601558113 /nfs/dbraw/zinc/55/81/13/601558113.db2.gz RPUJWWHPISFTRN-UHFFFAOYSA-N -2 0 348.405 3.104 20 0 EGADRL O=C([O-])Nc1cccc([N-]S(=O)(=O)c2cc3ccccc3o2)c1 ZINC000833288344 601558183 /nfs/dbraw/zinc/55/81/83/601558183.db2.gz CWCHEUSIINZMPJ-UHFFFAOYSA-N -2 0 332.337 3.324 20 0 EGADRL Cc1ccc(S(=O)(=O)[N-]c2cncc3ccccc32)c(C(=O)[O-])c1 ZINC000833751007 604748101 /nfs/dbraw/zinc/74/81/01/604748101.db2.gz LYRXNFFSUWGJOA-UHFFFAOYSA-N -2 0 342.376 3.042 20 0 EGADRL CC(C)c1cccnc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000833511474 605053947 /nfs/dbraw/zinc/05/39/47/605053947.db2.gz URXIKJGTZSPNAK-JXMROGBWSA-N -2 0 346.408 3.104 20 0 EGADRL O=S(=O)([N-]c1cccc(Cl)c1[O-])C1=Cc2ccccc2OC1 ZINC000190297053 1295580044 /nfs/dbraw/zinc/58/00/44/1295580044.db2.gz OWFPBYLWECGHLT-UHFFFAOYSA-N -2 0 337.784 3.221 20 0 EGADRL O=C([O-])CCCOc1ccccc1-c1ccccc1[C@@H](O)CC(=O)[O-] ZINC000849474728 1322123269 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Cc1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cnc1OC(C)C ZINC001176239515 1385523831 /nfs/dbraw/zinc/52/38/31/1385523831.db2.gz ZQUVVABTNOIQEA-UHFFFAOYSA-N -2 0 330.340 3.317 20 0 EGADRL COc1cnc2c(cccc2Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176244707 1385525178 /nfs/dbraw/zinc/52/51/78/1385525178.db2.gz NEYSJQXVXZXHLZ-UHFFFAOYSA-N -2 0 338.319 3.383 20 0 EGADRL Nc1cc(Cl)cc2ccn(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c21 ZINC001176245101 1385525327 /nfs/dbraw/zinc/52/53/27/1385525327.db2.gz UHVJXURRVBXRSP-UHFFFAOYSA-N -2 0 330.727 3.263 20 0 EGADRL Cc1cc(S(=O)(=O)[O-])c(Nc2ccc(C(=O)[O-])cc2)cc1Cl ZINC001176712990 1385668973 /nfs/dbraw/zinc/66/89/73/1385668973.db2.gz WXGSCIMQCRKNRI-UHFFFAOYSA-N -2 0 341.772 3.337 20 0 EGADRL O=C([O-])c1cc(C=Cc2cc(-c3nnn[n-]3)cs2)nc2ccccc21 ZINC000823387746 1446268941 /nfs/dbraw/zinc/26/89/41/1446268941.db2.gz WMJPHHRJFJAHQN-WAYWQWQTSA-N -2 0 349.375 3.345 20 0 EGADRL CSc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1 ZINC000007745986 956884050 /nfs/dbraw/zinc/88/40/50/956884050.db2.gz PLRANPROWRKEBU-UHFFFAOYSA-N -2 0 341.385 3.047 20 0 EGADRL Cc1cc(NC(=O)c2c([O-])cnc3c(F)cccc32)ccc1C(=O)[O-] ZINC001594324687 958150909 /nfs/dbraw/zinc/15/09/09/958150909.db2.gz OUTRJKFEKMTHSY-UHFFFAOYSA-N -2 0 340.310 3.338 20 0 EGADRL Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c2cccnc12 ZINC000392124198 972411850 /nfs/dbraw/zinc/41/18/50/972411850.db2.gz XAODBJNFDYZBDC-UHFFFAOYSA-N -2 0 342.376 3.042 20 0 EGADRL O=C([O-])C1(CNC(=O)c2cc(Cl)c3ccccc3c2[O-])CCC1 ZINC001605757013 972418144 /nfs/dbraw/zinc/41/81/44/972418144.db2.gz KALHZQJCCMNITK-UHFFFAOYSA-N -2 0 333.771 3.184 20 0 EGADRL CSc1ccccc1[N-]S(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC000226465949 959880643 /nfs/dbraw/zinc/88/06/43/959880643.db2.gz OJTSPRUKDFNWEA-UHFFFAOYSA-N -2 0 343.451 3.277 20 0 EGADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1c(C)cc(C)cc1C ZINC000392399789 972480367 /nfs/dbraw/zinc/48/03/67/972480367.db2.gz QSQZZRFGMLZCPU-UHFFFAOYSA-N -2 0 349.408 3.119 20 0 EGADRL O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC001574587584 962114474 /nfs/dbraw/zinc/11/44/74/962114474.db2.gz IFHKIIJHOFSPMI-RISCZKNCSA-N -2 0 333.771 3.182 20 0 EGADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c1C(=O)[O-] ZINC000314123172 963714657 /nfs/dbraw/zinc/71/46/57/963714657.db2.gz MDSRJYWWJATWOI-UHFFFAOYSA-N -2 0 343.788 3.357 20 0 EGADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc(C(C)C)cs1 ZINC000314753994 963804587 /nfs/dbraw/zinc/80/45/87/963804587.db2.gz FNTLKKKLCNBJQA-UHFFFAOYSA-N -2 0 340.426 3.074 20 0 EGADRL O=C([O-])C[C@H]1CCCCN1C(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001606086587 973249199 /nfs/dbraw/zinc/24/91/99/973249199.db2.gz PSFOUDAWZVICPL-SECBINFHSA-N -2 0 332.183 3.168 20 0 EGADRL CCCOc1ccc(C(=O)[O-])cc1NCc1cc(C(=O)[O-])c(C)n1C ZINC001595955013 983143483 /nfs/dbraw/zinc/14/34/83/983143483.db2.gz VLDCTDNQDFVIOS-UHFFFAOYSA-N -2 0 346.383 3.131 20 0 EGADRL CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC001595973994 983197643 /nfs/dbraw/zinc/19/76/43/983197643.db2.gz HJGSWDSMCAHATE-UHFFFAOYSA-N -2 0 349.408 3.283 20 0 EGADRL Cc1[nH]c(C(=O)Nc2cc(Cl)c([O-])cc2F)c(C)c1C(=O)[O-] ZINC001599953772 985653829 /nfs/dbraw/zinc/65/38/29/985653829.db2.gz KEVYEQYJQWYWEZ-UHFFFAOYSA-N -2 0 326.711 3.080 20 0 EGADRL CC(=O)c1cc(F)c([O-])c(NC(=O)c2ccccc2CCC(=O)[O-])c1 ZINC001589271277 985972013 /nfs/dbraw/zinc/97/20/13/985972013.db2.gz WSUFHELGUGALJU-UHFFFAOYSA-N -2 0 345.326 3.003 20 0 EGADRL C[C@@H](C(=O)[O-])c1ccc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC001589502360 987104598 /nfs/dbraw/zinc/10/45/98/987104598.db2.gz FRIARVVGFMYYOO-WBMJQRKESA-N -2 0 341.363 3.072 20 0 EGADRL C[C@@H](C(=O)[O-])c1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)cc1 ZINC001589505317 987119724 /nfs/dbraw/zinc/11/97/24/987119724.db2.gz WPDGJCRDTQTLEI-GFCCVEGCSA-N -2 0 333.384 3.238 20 0 EGADRL CSc1ccc(S(=O)(=O)[N-]c2c(C)csc2C(=O)[O-])cc1 ZINC001599821256 988518236 /nfs/dbraw/zinc/51/82/36/988518236.db2.gz RMYLJIVYXIPXKM-UHFFFAOYSA-N -2 0 343.451 3.277 20 0 EGADRL Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)sc1C(=O)[O-] ZINC000037225793 213136317 /nfs/dbraw/zinc/13/63/17/213136317.db2.gz MTDZFVZWNIOQDF-UHFFFAOYSA-N -2 0 331.802 3.209 20 0 EGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2C)sc1C(=O)[O-] ZINC000037225817 213136494 /nfs/dbraw/zinc/13/64/94/213136494.db2.gz YOJVUJNFJDRHKN-UHFFFAOYSA-N -2 0 329.374 3.003 20 0 EGADRL CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O ZINC000095377446 218310167 /nfs/dbraw/zinc/31/01/67/218310167.db2.gz PVKFQLRAOKJIPF-UHFFFAOYSA-N -2 0 349.408 3.070 20 0 EGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2-c2cccs2)c[nH]1 ZINC000320107449 154163547 /nfs/dbraw/zinc/16/35/47/154163547.db2.gz QWTJHFQCRNFBDU-UHFFFAOYSA-N -2 0 348.405 3.242 20 0 EGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1Cl ZINC000336851309 154217711 /nfs/dbraw/zinc/21/77/11/154217711.db2.gz NUAAFBXGXHQICM-UHFFFAOYSA-N -2 0 347.726 3.117 20 0 EGADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c1F ZINC000180488680 162747930 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