smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](NC(=O)c1cccc(Cl)c1O)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593175201 994043793 /nfs/dbraw/zinc/04/37/93/994043793.db2.gz HMYLXXGKQGKDNI-BXUZGUMPSA-N -1 2 347.798 3.107 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2cccc(C)c2C)sc1C(=O)[O-] ZINC000037225787 201917569 /nfs/dbraw/zinc/91/75/69/201917569.db2.gz GOIDYAMEHFSFRC-UHFFFAOYSA-N -1 2 325.411 3.172 20 0 EGADLM CCc1c(NC(=O)c2ccc3[nH]nnc3c2)cnn1-c1ccccc1C ZINC000192139562 153245033 /nfs/dbraw/zinc/24/50/33/153245033.db2.gz OWKNTLGFVJOLRN-UHFFFAOYSA-N -1 2 346.394 3.267 20 0 EGADLM O=C(Nc1cccc(O)c1F)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000129376099 162355705 /nfs/dbraw/zinc/35/57/05/162355705.db2.gz JBDHHDFJSSFBQN-OAHLLOKOSA-N -1 2 332.350 3.274 20 0 EGADLM Cc1ccc(S(=O)(=O)Nc2ccc(CCCC(=O)[O-])cc2)s1 ZINC000134618664 454569678 /nfs/dbraw/zinc/56/96/78/454569678.db2.gz SDUMVTAOKMWPPE-UHFFFAOYSA-N -1 2 339.438 3.265 20 0 EGADLM Cc1cc(C[NH+]2CCN(C(=O)c3cccc(O)c3)CC2)c(C)s1 ZINC000177644262 454887358 /nfs/dbraw/zinc/88/73/58/454887358.db2.gz XSWONZVNRKFUST-UHFFFAOYSA-N -1 2 330.453 3.029 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2cc(C)cc(C(=O)[O-])c2)sc1C ZINC000507582650 548009990 /nfs/dbraw/zinc/00/99/90/548009990.db2.gz XRVUCRGVLSJXDF-UHFFFAOYSA-N -1 2 325.411 3.172 20 0 EGADLM O=C([O-])c1cc(NC(=O)[C@H]2CCCS2)c(Br)cc1F ZINC000833302019 600975208 /nfs/dbraw/zinc/97/52/08/600975208.db2.gz ZRQSKUIIUMJDGI-SNVBAGLBSA-N -1 2 348.193 3.121 20 0 EGADLM CCCc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC000035426810 601357251 /nfs/dbraw/zinc/35/72/51/601357251.db2.gz QXGDBFROYAROLJ-UHFFFAOYSA-N -1 2 325.411 3.200 20 0 EGADLM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(Cl)c2O)cc1 ZINC000833732668 605230424 /nfs/dbraw/zinc/23/04/24/605230424.db2.gz YKMZDMZHIFWYIR-AWEZNQCLSA-N -1 2 349.770 3.000 20 0 EGADLM CC(C)(C)[C@H](C(=O)[O-])C(=O)NOCc1ccc(C(F)(F)F)cc1 ZINC001588634290 959636405 /nfs/dbraw/zinc/63/64/05/959636405.db2.gz OCHDMOWJXJGCTC-NSHDSACASA-N -1 2 333.306 3.000 20 0 EGADLM CCCOc1ccccc1NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000315701765 963928123 /nfs/dbraw/zinc/92/81/23/963928123.db2.gz VROPTBCRCUGYCZ-UHFFFAOYSA-N -1 2 341.410 3.036 20 0 EGADLM C[N@@H+](Cc1cc(O)cc(F)c1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000186224786 144127456 /nfs/dbraw/zinc/12/74/56/144127456.db2.gz JYLCRWFUFOGQGX-KRWDZBQOSA-N -1 2 348.805 3.422 20 0 EGADLM C[C@H](CNCc1c(F)ccc(O)c1F)[N@H+]1CCc2ccccc2C1 ZINC000352296547 165330955 /nfs/dbraw/zinc/33/09/55/165330955.db2.gz FPPACVBALXWEDN-CYBMUJFWSA-N -1 2 332.394 3.207 20 0 EGADLM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cc(Cl)cc(Cl)c1O ZINC000273416706 267036719 /nfs/dbraw/zinc/03/67/19/267036719.db2.gz NWIAWIPDMPQLLT-VIFPVBQESA-N -1 2 340.228 3.010 20 0 EGADLM CC(C)c1ccc(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)c(O)c1 ZINC000273844069 267122665 /nfs/dbraw/zinc/12/26/65/267122665.db2.gz KSSDSRBWTOEYSU-INIZCTEOSA-N -1 2 329.400 3.101 20 0 EGADLM Cc1ccc(F)c(S(=O)(=O)Nc2c(C)ccc(F)c2C(=O)[O-])c1 ZINC000548529891 315022220 /nfs/dbraw/zinc/02/22/20/315022220.db2.gz MSIFKHZFVOTWMM-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM CC(F)(F)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000188559946 456084641 /nfs/dbraw/zinc/08/46/41/456084641.db2.gz NTRYMWYEENAREI-UHFFFAOYSA-N -1 2 347.364 3.359 20 0 EGADLM CC[C@@H](C)[N@H+](CC(=O)OC(C)(C)C)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459365619 458344977 /nfs/dbraw/zinc/34/49/77/458344977.db2.gz LUHZCURZNGLNOF-GFCCVEGCSA-N -1 2 335.448 3.002 20 0 EGADLM O=C(NCCc1cc(Cl)cc(Cl)c1)c1cccc2[nH]nnc21 ZINC000540963187 459412011 /nfs/dbraw/zinc/41/20/11/459412011.db2.gz QPKGMUVTIOZXHR-UHFFFAOYSA-N -1 2 335.194 3.237 20 0 EGADLM CCOc1ccc(-n2[nH]c3c(c2=O)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000656471789 461758153 /nfs/dbraw/zinc/75/81/53/461758153.db2.gz FGIJKOMOUSVRDX-LJQANCHMSA-N -1 2 349.434 3.310 20 0 EGADLM Cc1ccc2nc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3)sc2c1 ZINC000074932357 601481445 /nfs/dbraw/zinc/48/14/45/601481445.db2.gz NSLLLUWHLUHPSK-UHFFFAOYSA-N -1 2 348.405 3.104 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2cccc(NC(=O)[O-])c2)c(F)cc1F ZINC000832904551 601831309 /nfs/dbraw/zinc/83/13/09/601831309.db2.gz RWGDZVGBIKCPSW-UHFFFAOYSA-N -1 2 342.323 3.164 20 0 EGADLM C[C@]1(NC(=O)C(F)(F)F)CC[N@@H+](C/C=C/c2ccc(Cl)cc2)C1 ZINC001197167709 1368758556 /nfs/dbraw/zinc/75/85/56/1368758556.db2.gz LQPJGPYAKZBQLH-FAAWYNLUSA-N -1 2 346.780 3.496 20 0 EGADLM Cc1cnc(O[C@H]2CCC[N@H+](Cc3ccc(Cl)c(O)c3)C2)nc1 ZINC001231735465 1376310474 /nfs/dbraw/zinc/31/04/74/1376310474.db2.gz REBKEOCLSJNGAU-AWEZNQCLSA-N -1 2 333.819 3.187 20 0 EGADLM Cc1cnc(F)c([C@@H](C)Oc2ccc(O[P@@](=O)([O-])O)cc2)c1 ZINC001234332057 1376812158 /nfs/dbraw/zinc/81/21/58/1376812158.db2.gz BBRXCXYGZGBOAQ-SNVBAGLBSA-N -1 2 327.248 3.141 20 0 EGADLM Cc1cnc(F)c([C@@H](C)Oc2ccc(O[P@](=O)([O-])O)cc2)c1 ZINC001234332057 1376812161 /nfs/dbraw/zinc/81/21/61/1376812161.db2.gz BBRXCXYGZGBOAQ-SNVBAGLBSA-N -1 2 327.248 3.141 20 0 EGADLM O=C([O-])c1cc(Nc2ccc[nH+]c2N2CCCCC2)cc(C(=O)[O-])c1 ZINC001176237573 1385523302 /nfs/dbraw/zinc/52/33/02/1385523302.db2.gz XAIGZHXRLRDWJA-UHFFFAOYSA-N -1 2 341.367 3.212 20 0 EGADLM Cc1cscc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000387132996 972105388 /nfs/dbraw/zinc/10/53/88/972105388.db2.gz SOPFAYHUEIWDGH-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM O=C([O-])c1ccc(Cl)cc1NS(=O)(=O)c1cc(F)ccc1F ZINC000013088600 956941441 /nfs/dbraw/zinc/94/14/41/956941441.db2.gz JLVUOSUNEYTKKL-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2cccc(F)c2C)sc1C(=O)[O-] ZINC000043321368 454055777 /nfs/dbraw/zinc/05/57/77/454055777.db2.gz CWIJTKABKCGURN-UHFFFAOYSA-N -1 2 329.374 3.003 20 0 EGADLM Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2F)cc1C(=O)[O-] ZINC000078789784 454318917 /nfs/dbraw/zinc/31/89/17/454318917.db2.gz KUNZAODBCKRLTL-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM C[C@]1(O)CC[N@H+](Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)C1 ZINC000267321133 455537954 /nfs/dbraw/zinc/53/79/54/455537954.db2.gz HDBKHLHVISFXOA-SFHVURJKSA-N -1 2 341.436 3.021 20 0 EGADLM Cc1ccc(S(=O)(=O)Nc2cccc(F)c2-c2nc[nH]n2)c(C)c1 ZINC000447265062 458277230 /nfs/dbraw/zinc/27/72/30/458277230.db2.gz PVVDYXKNJNAXPO-UHFFFAOYSA-N -1 2 346.387 3.028 20 0 EGADLM C[C@](CNc1nc(C2CCCC2)ns1)(C(=O)[O-])c1ccccc1 ZINC000650776772 461947984 /nfs/dbraw/zinc/94/79/84/461947984.db2.gz IIOPSQGOPJIJHM-QGZVFWFLSA-N -1 2 331.441 3.072 20 0 EGADLM Cc1cc(NS(=O)(=O)c2cc(F)c(C)cc2F)cc(C(=O)[O-])c1 ZINC000507648316 548009870 /nfs/dbraw/zinc/00/98/70/548009870.db2.gz FYQGHJCTRDNAOX-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2ccc(C3CC3)cc2)sc1C(=O)[O-] ZINC000678479326 549505222 /nfs/dbraw/zinc/50/52/22/549505222.db2.gz UYAYTGSCEOLKJH-UHFFFAOYSA-N -1 2 337.422 3.433 20 0 EGADLM Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c(C(=O)[O-])[nH]1 ZINC000163453440 600176025 /nfs/dbraw/zinc/17/60/25/600176025.db2.gz VVJYRPRYESYQJW-UHFFFAOYSA-N -1 2 349.195 3.129 20 0 EGADLM O=C([O-])c1csc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000833343355 602116636 /nfs/dbraw/zinc/11/66/36/602116636.db2.gz ABBLCVSAWCCWBO-UHFFFAOYSA-N -1 2 335.765 3.040 20 0 EGADLM O=C([O-])[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)C1 ZINC000833191658 604943983 /nfs/dbraw/zinc/94/39/83/604943983.db2.gz PKFPNZRZAWQULM-GFCCVEGCSA-N -1 2 345.782 3.259 20 0 EGADLM Cc1sc(NS(=O)(=O)c2ccc(C)c(F)c2)c(C(=O)[O-])c1C ZINC000833751345 605022632 /nfs/dbraw/zinc/02/26/32/605022632.db2.gz VFWJLDUIFWVQNS-UHFFFAOYSA-N -1 2 343.401 3.311 20 0 EGADLM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(Cl)c2O)cc1 ZINC000833732670 605230623 /nfs/dbraw/zinc/23/06/23/605230623.db2.gz YKMZDMZHIFWYIR-CQSZACIVSA-N -1 2 349.770 3.000 20 0 EGADLM CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC001197166995 1368757950 /nfs/dbraw/zinc/75/79/50/1368757950.db2.gz GJBDODLJLRWNNK-DZGCQCFKSA-N -1 2 332.341 3.420 20 0 EGADLM O=C([O-])c1cc(Nc2cc(=O)[nH]c(Cl)n2)cc(C(F)(F)F)c1 ZINC001215641172 1373223243 /nfs/dbraw/zinc/22/32/43/1373223243.db2.gz GZBHMNCGBHXSIZ-UHFFFAOYSA-N -1 2 333.653 3.296 20 0 EGADLM Cc1csc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC001188279235 1388281875 /nfs/dbraw/zinc/28/18/75/1388281875.db2.gz DUPKQDNBNZNWTI-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM COc1cccnc1O[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(O)c2)C1 ZINC001231735189 1376309824 /nfs/dbraw/zinc/30/98/24/1376309824.db2.gz LJTKWPAMJXNRCN-CQSZACIVSA-N -1 2 348.830 3.493 20 0 EGADLM CCCC[C@H]1C[N@H+](Cc2ncccc2O)CCN1C(=O)OC(C)(C)C ZINC001138395318 1377715949 /nfs/dbraw/zinc/71/59/49/1377715949.db2.gz CPNQIBSEFNWYOQ-HNNXBMFYSA-N -1 2 349.475 3.399 20 0 EGADLM Cc1cc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c(C)c1 ZINC000020552932 957146588 /nfs/dbraw/zinc/14/65/88/957146588.db2.gz AJBXFWLJFJDLLB-UHFFFAOYSA-N -1 2 325.411 3.172 20 0 EGADLM Cc1cccc(S(=O)(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1F ZINC000313213876 963625154 /nfs/dbraw/zinc/62/51/54/963625154.db2.gz YDPLUTXAPMYLNT-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM Cc1oc(C)c(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c1C(=O)[O-] ZINC000314158279 963718241 /nfs/dbraw/zinc/71/82/41/963718241.db2.gz SIWPVJRWIRZXOC-UHFFFAOYSA-N -1 2 347.751 3.188 20 0 EGADLM O=C([O-])[C@H]1CCN(C(=O)c2cccc(Cl)c2O)c2ccccc21 ZINC001594927905 970277285 /nfs/dbraw/zinc/27/72/85/970277285.db2.gz SUXSFHXWMFLGRN-NSHDSACASA-N -1 2 331.755 3.264 20 0 EGADLM Cc1ccc(-c2cc(C(=O)Nc3cccnc3-n3cc[nH+]c3C)[nH]n2)o1 ZINC000194116434 153322008 /nfs/dbraw/zinc/32/20/08/153322008.db2.gz HAYODGWUUDTDMI-UHFFFAOYSA-N -1 2 348.366 3.120 20 0 EGADLM O=C([O-])c1cc(Cl)ccc1NS(=O)(=O)c1ccc(F)cc1F ZINC000036385042 453928143 /nfs/dbraw/zinc/92/81/43/453928143.db2.gz CEPRHJHHKLRPBM-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)n1 ZINC000192599249 455650206 /nfs/dbraw/zinc/65/02/06/455650206.db2.gz KPWXMEBMHGRNAM-ZFWWWQNUSA-N -1 2 343.402 3.286 20 0 EGADLM C[N@H+](Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)C1(CO)CC1 ZINC000298569980 456491605 /nfs/dbraw/zinc/49/16/05/456491605.db2.gz QEUIHDKXIUOBIH-UHFFFAOYSA-N -1 2 341.436 3.021 20 0 EGADLM Cc1ccsc1S(=O)(=O)Nc1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000342438666 457304812 /nfs/dbraw/zinc/30/48/12/457304812.db2.gz PEVKPYJBOFGSQT-NSHDSACASA-N -1 2 339.438 3.436 20 0 EGADLM CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1n[nH]c(-c2cc3ccccc3o2)n1 ZINC000362246292 458051490 /nfs/dbraw/zinc/05/14/90/458051490.db2.gz YQDWOJMVLZBUKB-CYBMUJFWSA-N -1 2 339.399 3.031 20 0 EGADLM O=c1cc(C[NH+]2CCN(c3ccccc3Cl)CC2)nc(C2CC2)[nH]1 ZINC000459296023 458318684 /nfs/dbraw/zinc/31/86/84/458318684.db2.gz MNTOGJROQDJQPP-UHFFFAOYSA-N -1 2 344.846 3.035 20 0 EGADLM O=C(N=c1nc(-c2ccccc2)[nH]s1)c1ccc(Cl)cc1[O-] ZINC000436796194 458381638 /nfs/dbraw/zinc/38/16/38/458381638.db2.gz ILHWFIVHKKEGEQ-UHFFFAOYSA-N -1 2 331.784 3.238 20 0 EGADLM O=C([O-])Cc1ccccc1OC(=O)[C@@H]1SCCc2ccccc21 ZINC000833269960 600975194 /nfs/dbraw/zinc/97/51/94/600975194.db2.gz XDHAPHKIUIMAMW-QGZVFWFLSA-N -1 2 328.389 3.250 20 0 EGADLM O=C([O-])c1csc(NS(=O)(=O)c2cccc3c2CCCC3)c1 ZINC000833343697 602116528 /nfs/dbraw/zinc/11/65/28/602116528.db2.gz MKOMFUGYRLQBGL-UHFFFAOYSA-N -1 2 337.422 3.126 20 0 EGADLM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c(C)c1 ZINC000159892195 1294249798 /nfs/dbraw/zinc/24/97/98/1294249798.db2.gz OLSIOSLXDWNPOK-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM O=[P@@]([O-])(O)Oc1ccc(O[C@H](c2cccnc2)C(F)(F)F)cc1 ZINC001234332278 1376813455 /nfs/dbraw/zinc/81/34/55/1376813455.db2.gz NRYDOWVRKIPPGT-GFCCVEGCSA-N -1 2 349.201 3.236 20 0 EGADLM O=[P@]([O-])(O)Oc1ccc(O[C@H](c2cccnc2)C(F)(F)F)cc1 ZINC001234332278 1376813458 /nfs/dbraw/zinc/81/34/58/1376813458.db2.gz NRYDOWVRKIPPGT-GFCCVEGCSA-N -1 2 349.201 3.236 20 0 EGADLM Oc1cccc(C[N@@H+]2CC[C@@]3(C2)CC(F)(F)CO3)c1Br ZINC001140553113 1378084300 /nfs/dbraw/zinc/08/43/00/1378084300.db2.gz VKSJVRASUCVIDP-ZDUSSCGKSA-N -1 2 348.187 3.155 20 0 EGADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(F)(F)F ZINC000390907429 972307441 /nfs/dbraw/zinc/30/74/41/972307441.db2.gz LTGMWFXQNAEXFA-UHFFFAOYSA-N -1 2 349.286 3.106 20 0 EGADLM CC[N@@H+](Cc1ccc(OC)c(O)c1Br)C[C@@H]1CCCO1 ZINC000273708336 267087611 /nfs/dbraw/zinc/08/76/11/267087611.db2.gz FPEXTWMCKMZPFZ-LBPRGKRZSA-N -1 2 344.249 3.164 20 0 EGADLM CCc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1C ZINC000319662725 308766966 /nfs/dbraw/zinc/76/69/66/308766966.db2.gz OPYIILZPJJEDGF-UHFFFAOYSA-N -1 2 339.438 3.426 20 0 EGADLM CCc1cc(=O)[nH]c(C[NH2+]C2(c3ccc(Br)cc3)CC2)n1 ZINC000119390004 454191419 /nfs/dbraw/zinc/19/14/19/454191419.db2.gz HMDILOMXMGYZSS-UHFFFAOYSA-N -1 2 348.244 3.286 20 0 EGADLM COCC[N@@H+](Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)C1CC1 ZINC000339161058 456970446 /nfs/dbraw/zinc/97/04/46/456970446.db2.gz ZPHKYXWLOIOHKX-UHFFFAOYSA-N -1 2 345.424 3.268 20 0 EGADLM C[C@@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)[C@@H](c2ccccc2)CO1 ZINC000459372839 458348795 /nfs/dbraw/zinc/34/87/95/458348795.db2.gz ZTQMKNPTNGFUNS-CXAGYDPISA-N -1 2 325.412 3.022 20 0 EGADLM CCc1ccc(C(=O)N=c2[nH][nH]c(-c3ccc(C)o3)c2C)c([O-])c1 ZINC000574834646 459879701 /nfs/dbraw/zinc/87/97/01/459879701.db2.gz KJVVUJWGGUKCAP-UHFFFAOYSA-N -1 2 325.368 3.229 20 0 EGADLM Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2)sc1C(=O)[O-] ZINC000021007960 599874866 /nfs/dbraw/zinc/87/48/66/599874866.db2.gz DCMFRWRPKBTFDT-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)c(C)c1 ZINC000832874114 602117933 /nfs/dbraw/zinc/11/79/33/602117933.db2.gz HICVHAJPBXADNQ-UHFFFAOYSA-N -1 2 325.411 3.172 20 0 EGADLM O=C([O-])[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000833772427 604702929 /nfs/dbraw/zinc/70/29/29/604702929.db2.gz ICPIIOXWORRJSN-HNNXBMFYSA-N -1 2 345.782 3.402 20 0 EGADLM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1c(O)cc(F)cc1F)c1ccccc1 ZINC000826102790 604707718 /nfs/dbraw/zinc/70/77/18/604707718.db2.gz IPZUVOSTKZYRHT-HNNXBMFYSA-N -1 2 349.333 3.252 20 0 EGADLM Cc1cccc(OC[C@H](C)Oc2ccc(O[P@@](=O)([O-])O)cc2)c1 ZINC001234333809 1376812115 /nfs/dbraw/zinc/81/21/15/1376812115.db2.gz ZNJLRMHZNVQLCR-ZDUSSCGKSA-N -1 2 338.296 3.313 20 0 EGADLM Cc1cccc(OC[C@H](C)Oc2ccc(O[P@](=O)([O-])O)cc2)c1 ZINC001234333809 1376812119 /nfs/dbraw/zinc/81/21/19/1376812119.db2.gz ZNJLRMHZNVQLCR-ZDUSSCGKSA-N -1 2 338.296 3.313 20 0 EGADLM C[C@H]([NH2+]Cc1cc(OCC(F)F)ccn1)c1cccc(O)c1F ZINC001332280007 1390074521 /nfs/dbraw/zinc/07/45/21/1390074521.db2.gz YBUVWKWRLHJRIC-JTQLQIEISA-N -1 2 326.318 3.421 20 0 EGADLM Cc1csc(C(=O)[O-])c1S(=O)(=O)Nc1cncc2ccccc21 ZINC000396512869 972909794 /nfs/dbraw/zinc/90/97/94/972909794.db2.gz HHNVCRIEZCHUPO-UHFFFAOYSA-N -1 2 348.405 3.104 20 0 EGADLM O=C([O-])c1cc(NS(=O)(=O)c2cccc(F)c2F)ccc1Cl ZINC000072071403 201174176 /nfs/dbraw/zinc/17/41/76/201174176.db2.gz ZDNFXYWMBBTROT-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM CCCc1cc(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)ccn1 ZINC000354635647 141318161 /nfs/dbraw/zinc/31/81/61/141318161.db2.gz HUAVHLGMRSBTSN-UHFFFAOYSA-N -1 2 343.337 3.350 20 0 EGADLM CC(C)Oc1ccccc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000316347367 154158503 /nfs/dbraw/zinc/15/85/03/154158503.db2.gz QWJHLHXJBGPQLS-UHFFFAOYSA-N -1 2 341.410 3.034 20 0 EGADLM CC(C)c1ccc(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)c(O)c1 ZINC000273844071 267122509 /nfs/dbraw/zinc/12/25/09/267122509.db2.gz KSSDSRBWTOEYSU-MRXNPFEDSA-N -1 2 329.400 3.101 20 0 EGADLM Oc1cccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1Cl ZINC000294049794 308185802 /nfs/dbraw/zinc/18/58/02/308185802.db2.gz JFKZRZDKFYPDPX-UHFFFAOYSA-N -1 2 331.847 3.195 20 0 EGADLM Cc1csc(S(=O)(=O)Nc2ccc([C@H](C)CC(=O)[O-])cc2)c1 ZINC000451034116 310157053 /nfs/dbraw/zinc/15/70/53/310157053.db2.gz CGQVLKYDVRLSGI-LLVKDONJSA-N -1 2 339.438 3.436 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2cc(C)ccc2C)sc1C(=O)[O-] ZINC000037225780 453934182 /nfs/dbraw/zinc/93/41/82/453934182.db2.gz VKASARCERFFNLV-UHFFFAOYSA-N -1 2 325.411 3.172 20 0 EGADLM CSc1cccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000037225794 453934292 /nfs/dbraw/zinc/93/42/92/453934292.db2.gz LNUCNBZCJUYCAH-UHFFFAOYSA-N -1 2 343.451 3.277 20 0 EGADLM O=C(c1cc(F)cc(Cl)c1O)N1CC[NH+](C2CCCCC2)CC1 ZINC000120191414 454270251 /nfs/dbraw/zinc/27/02/51/454270251.db2.gz BMZMFCOGQUJRHI-UHFFFAOYSA-N -1 2 340.826 3.275 20 0 EGADLM Cc1cc(NC(=O)[C@H](C)[N@@H+]2Cc3ccccc3C3(CCC3)C2)on1 ZINC000375619579 457993652 /nfs/dbraw/zinc/99/36/52/457993652.db2.gz YCWSMOWGKDLZRJ-AWEZNQCLSA-N -1 2 325.412 3.248 20 0 EGADLM Cc1cccc(S(=O)(=O)Nc2nc3ccccc3s2)c1C(=O)[O-] ZINC000738746859 576358567 /nfs/dbraw/zinc/35/85/67/576358567.db2.gz MNVCFIKMYPWDCT-UHFFFAOYSA-N -1 2 348.405 3.104 20 0 EGADLM O=C([O-])C[C@H](NC(=O)c1cccc(Cl)c1O)c1ccc(F)cc1 ZINC000833773370 605239062 /nfs/dbraw/zinc/23/90/62/605239062.db2.gz VATOLJRFXXITKF-ZDUSSCGKSA-N -1 2 337.734 3.131 20 0 EGADLM Cc1ccc2nc(NS(=O)(=O)c3ccccc3C(=O)[O-])sc2c1 ZINC001198738596 1369102349 /nfs/dbraw/zinc/10/23/49/1369102349.db2.gz AIBGZZOYUQSGGB-UHFFFAOYSA-N -1 2 348.405 3.104 20 0 EGADLM O=C([O-])c1ccccc1S(=O)(=O)Nc1cc2c(s1)CCCC2 ZINC001198746264 1369104699 /nfs/dbraw/zinc/10/46/99/1369104699.db2.gz ANXCPPMXNKZRGR-UHFFFAOYSA-N -1 2 337.422 3.126 20 0 EGADLM O=C([O-])c1cc(Nc2cc(Cl)c3[nH+]ccn3c2)cc(C(=O)[O-])c1 ZINC001176239736 1385523707 /nfs/dbraw/zinc/52/37/07/1385523707.db2.gz TXYRUYVECIWWSS-UHFFFAOYSA-N -1 2 331.715 3.128 20 0 EGADLM CCc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cc(C)c(C)s1 ZINC001597594845 988434020 /nfs/dbraw/zinc/43/40/20/988434020.db2.gz XKSFMHPIZRSXML-UHFFFAOYSA-N -1 2 339.438 3.426 20 0 EGADLM CCc1cc(=O)[nH]c(C[N@H+](C)[C@@H](COC)c2ccc(Cl)cc2)n1 ZINC000490090391 311132892 /nfs/dbraw/zinc/13/28/92/311132892.db2.gz LJJXMXNEOXTCDX-HNNXBMFYSA-N -1 2 335.835 3.218 20 0 EGADLM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cccc(Cl)c1F ZINC000042122866 453996365 /nfs/dbraw/zinc/99/63/65/453996365.db2.gz GMMOZLUWTFYDEB-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM CC(C)Oc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000058370556 454195229 /nfs/dbraw/zinc/19/52/29/454195229.db2.gz SKJGLBRLMNFPEL-UHFFFAOYSA-N -1 2 341.410 3.034 20 0 EGADLM O=C([O-])c1cc(NS(=O)(=O)c2cc(Cl)ccc2F)ccc1F ZINC000340738271 456660003 /nfs/dbraw/zinc/66/00/03/456660003.db2.gz KWZUUUZYVFROMF-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(C)oc1C ZINC000345097395 456925163 /nfs/dbraw/zinc/92/51/63/456925163.db2.gz BRKPVNFZNQKIFN-UHFFFAOYSA-N -1 2 341.410 3.117 20 0 EGADLM O=S(=O)(CCc1cccs1)[N-]c1cc(F)cc(Cl)c1O ZINC000357065420 457305106 /nfs/dbraw/zinc/30/51/06/457305106.db2.gz AIPZMJPGZLAQFF-UHFFFAOYSA-N -1 2 335.809 3.231 20 0 EGADLM Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000582286766 459340814 /nfs/dbraw/zinc/34/08/14/459340814.db2.gz KECLUMCEYRTHMK-SFHVURJKSA-N -1 2 349.438 3.310 20 0 EGADLM O=c1[nH]nc([C@@H]2CCC[N@H+](CCSc3ccc(F)cc3F)C2)o1 ZINC000660463470 461796267 /nfs/dbraw/zinc/79/62/67/461796267.db2.gz DHNDQYUBBNKMIX-SNVBAGLBSA-N -1 2 341.383 3.025 20 0 EGADLM Cc1cc(NS(=O)(=O)c2cccc(Cl)c2F)cc(C(=O)[O-])c1 ZINC000507578093 548009998 /nfs/dbraw/zinc/00/99/98/548009998.db2.gz CIXMBFRLELPROI-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM Cc1ccc(S(=O)(=O)Nc2sccc2C(=O)[O-])cc1Cl ZINC000833750894 605204656 /nfs/dbraw/zinc/20/46/56/605204656.db2.gz GMAWMONQRHOSQP-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM CC(C)c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000007230485 1291066699 /nfs/dbraw/zinc/06/66/99/1291066699.db2.gz TTZWNBODEXYHAV-UHFFFAOYSA-N -1 2 337.372 3.448 20 0 EGADLM CC(C)(C)O[N-]C(=O)C1=NN(c2ccccc2C(F)(F)F)CC1=O ZINC000156053342 1294125816 /nfs/dbraw/zinc/12/58/16/1294125816.db2.gz DOYNSJMDEAPHDM-UHFFFAOYSA-N -1 2 343.305 3.057 20 0 EGADLM Cc1ccc(S(=O)(=O)Nc2cc(Cl)cs2)cc1C(=O)[O-] ZINC001184669880 1387506560 /nfs/dbraw/zinc/50/65/60/1387506560.db2.gz JVHAYSULPCBJAT-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM COc1cc(NS(=O)(=O)c2cc(F)cc(F)c2F)ccc1[S-] ZINC001190396198 1367252889 /nfs/dbraw/zinc/25/28/89/1367252889.db2.gz WQUNWETYODGCIO-UHFFFAOYSA-N -1 2 349.355 3.202 20 0 EGADLM Cc1ccc2sc(NS(=O)(=O)c3ccccc3C(=O)[O-])nc2c1 ZINC001198738915 1369102079 /nfs/dbraw/zinc/10/20/79/1369102079.db2.gz HEGBZQNXBONXAG-UHFFFAOYSA-N -1 2 348.405 3.104 20 0 EGADLM CCOC(=O)c1[nH]c2ccccc2c1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001151367333 1379705780 /nfs/dbraw/zinc/70/57/80/1379705780.db2.gz YZYFAOUXOFVSPN-UHFFFAOYSA-N -1 2 348.362 3.245 20 0 EGADLM C[C@@H]1CC[N@H+](Cc2ccc3occc3c2)C[C@@H]1NC(=O)C(F)(F)F ZINC001308881599 1384156633 /nfs/dbraw/zinc/15/66/33/1384156633.db2.gz JOWAFYWPJKGETO-RISCZKNCSA-N -1 2 340.345 3.322 20 0 EGADLM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2cc(F)cc(Cl)c2O)c2ccccc21 ZINC001594726809 957012976 /nfs/dbraw/zinc/01/29/76/957012976.db2.gz OSEBHEWEPGOYCV-BXUZGUMPSA-N -1 2 349.745 3.228 20 0 EGADLM Cc1oc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1C(=O)[O-] ZINC000037300419 957268206 /nfs/dbraw/zinc/26/82/06/957268206.db2.gz LBXFSYNSZNKTDT-UHFFFAOYSA-N -1 2 329.761 3.049 20 0 EGADLM CSc1cccc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])c1 ZINC000314092467 963709601 /nfs/dbraw/zinc/70/96/01/963709601.db2.gz HNBBKZAHHFSEPL-UHFFFAOYSA-N -1 2 341.410 3.117 20 0 EGADLM CC[C@](NC(=O)C(F)C(F)(F)F)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595232778 980125855 /nfs/dbraw/zinc/12/58/55/980125855.db2.gz HTTZTLVPLSRGQJ-JOYOIKCWSA-N -1 2 341.688 3.047 20 0 EGADLM CC[C@](NC(=O)[C@H](F)C(F)(F)F)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595232778 980125861 /nfs/dbraw/zinc/12/58/61/980125861.db2.gz HTTZTLVPLSRGQJ-JOYOIKCWSA-N -1 2 341.688 3.047 20 0 EGADLM CSc1ccc(S(=O)(=O)Nc2scc(C(=O)[O-])c2C)cc1 ZINC001599820867 988510954 /nfs/dbraw/zinc/51/09/54/988510954.db2.gz CJUXYMIMKLVLLS-UHFFFAOYSA-N -1 2 343.451 3.277 20 0 EGADLM CC(C)(C)c1ccc(CSCC(=O)NOCCCC(=O)[O-])cc1 ZINC001590487789 990088995 /nfs/dbraw/zinc/08/89/95/990088995.db2.gz SMVHEFSOTCKEPO-UHFFFAOYSA-N -1 2 339.457 3.130 20 0 EGADLM O=C([O-])c1c(Cl)cccc1NS(=O)(=O)c1cc(F)ccc1F ZINC000315640556 154156284 /nfs/dbraw/zinc/15/62/84/154156284.db2.gz ZNRVANZPXPWLOY-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cc(F)ccc2C)c1 ZINC000156258945 307829734 /nfs/dbraw/zinc/82/97/34/307829734.db2.gz ONPNZWWRCQBMTH-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1cc(Cl)ccc1F ZINC000551117331 315143054 /nfs/dbraw/zinc/14/30/54/315143054.db2.gz ZDIWJGRBTRLJFT-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM CC(C)c1cc(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)c(O)c(C(C)C)c1 ZINC000554758984 315347073 /nfs/dbraw/zinc/34/70/73/315347073.db2.gz XSEZGHTVZQKGHI-HNNXBMFYSA-N -1 2 348.487 3.090 20 0 EGADLM Cc1cc(C)c(NS(=O)(=O)c2cc(F)ccc2F)c(C(=O)[O-])c1 ZINC000060360617 454281491 /nfs/dbraw/zinc/28/14/91/454281491.db2.gz QJHODFBNRORODK-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2F)ccc1C(=O)[O-] ZINC000340735419 456656817 /nfs/dbraw/zinc/65/68/17/456656817.db2.gz IRAAKNYTGFILRU-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cc(Cl)c2ccccc2c1O ZINC000436714368 458365885 /nfs/dbraw/zinc/36/58/85/458365885.db2.gz UAGMOAPZCFNIPH-VXGBXAGGSA-N -1 2 332.831 3.363 20 0 EGADLM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(F)ccc1F ZINC000530648695 458805434 /nfs/dbraw/zinc/80/54/34/458805434.db2.gz VVNNOURYPNGZGL-UHFFFAOYSA-N -1 2 341.335 3.026 20 0 EGADLM Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)on1 ZINC000625660694 460232318 /nfs/dbraw/zinc/23/23/18/460232318.db2.gz ZZVYBBZYPQYKIN-OCCSQVGLSA-N -1 2 349.381 3.468 20 0 EGADLM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)cc1Cl ZINC000832955804 602116566 /nfs/dbraw/zinc/11/65/66/602116566.db2.gz JPYTXVMWFNWQDU-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM CC(=O)c1ccc(O)c(CCOC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC000786876954 1305643921 /nfs/dbraw/zinc/64/39/21/1305643921.db2.gz BICPHHQWTXZWHY-GOSISDBHSA-N -1 2 345.439 3.088 20 0 EGADLM S=c1nc(-c2ccccn2)[nH]n1C[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000817369705 1319341556 /nfs/dbraw/zinc/34/15/56/1319341556.db2.gz BBNDWZWIHLKOGK-AWEZNQCLSA-N -1 2 329.473 3.472 20 0 EGADLM Cc1nccnc1O[C@H]1CCC[N@H+](Cc2ccc(Cl)c(O)c2)C1 ZINC001231735620 1376309879 /nfs/dbraw/zinc/30/98/79/1376309879.db2.gz RHOBSDYUFMWWMS-AWEZNQCLSA-N -1 2 333.819 3.187 20 0 EGADLM CCOC(=O)C[C@H]1CC[N@H+](Cc2ccc(O)c(F)c2F)C[C@@H]1C ZINC001140894925 1378175190 /nfs/dbraw/zinc/17/51/90/1378175190.db2.gz GPGDVFWHMUHSEF-NWDGAFQWSA-N -1 2 327.371 3.082 20 0 EGADLM O=C([O-])[C@H]1C[C@@H](NC(=O)c2cccc(Cl)c2O)c2ccccc21 ZINC001594727328 957016745 /nfs/dbraw/zinc/01/67/45/957016745.db2.gz RNCFNWREGBEDSP-GXTWGEPZSA-N -1 2 331.755 3.089 20 0 EGADLM CC(C)c1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000038058484 957351053 /nfs/dbraw/zinc/35/10/53/957351053.db2.gz UTMROCJAAIZWPM-UHFFFAOYSA-N -1 2 325.411 3.371 20 0 EGADLM CC(C)(C)CC[C@@H](NC(=O)c1cn[nH]c1-c1ccccc1F)C(=O)[O-] ZINC001588647819 969892527 /nfs/dbraw/zinc/89/25/27/969892527.db2.gz HYFBZPGTBQQALS-CQSZACIVSA-N -1 2 347.390 3.225 20 0 EGADLM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(F)F ZINC001597790755 989314719 /nfs/dbraw/zinc/31/47/19/989314719.db2.gz IBWJCGMXLQRJPW-UHFFFAOYSA-N -1 2 345.323 3.279 20 0 EGADLM Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000015243830 211809565 /nfs/dbraw/zinc/80/95/65/211809565.db2.gz VNWKASWXLYMWSB-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM Cc1ccc(F)c(S(=O)(=O)Nc2c(C)cc(C)cc2C(=O)[O-])c1 ZINC000072077935 307379104 /nfs/dbraw/zinc/37/91/04/307379104.db2.gz AENMGSKZSPNWBL-UHFFFAOYSA-N -1 2 337.372 3.250 20 0 EGADLM O=c1[nH]nc([C@@H]2CCC[N@H+](CCOc3ccc4ccccc4c3)C2)o1 ZINC000450913213 310149469 /nfs/dbraw/zinc/14/94/69/310149469.db2.gz YIKWHYHZLSIQOQ-MRXNPFEDSA-N -1 2 339.395 3.187 20 0 EGADLM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1scnc1C(C)C ZINC000451104593 310160783 /nfs/dbraw/zinc/16/07/83/310160783.db2.gz RWXIICMZPBLRSJ-UHFFFAOYSA-N -1 2 340.426 3.074 20 0 EGADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cncc2ccccc21 ZINC000396533175 324293448 /nfs/dbraw/zinc/29/34/48/324293448.db2.gz VIFFACXOTFSJJZ-UHFFFAOYSA-N -1 2 348.405 3.104 20 0 EGADLM CCCOc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000012552187 453374550 /nfs/dbraw/zinc/37/45/50/453374550.db2.gz XGXODBRPMRMUCP-UHFFFAOYSA-N -1 2 341.410 3.036 20 0 EGADLM O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cncc(O)c1 ZINC000600925430 460646354 /nfs/dbraw/zinc/64/63/54/460646354.db2.gz BLQYEAYXSXFOOS-KRWDZBQOSA-N -1 2 345.830 3.008 20 0 EGADLM O=C([O-])c1ccc(Cl)cc1NS(=O)(=O)c1c(F)cccc1F ZINC000141399787 454828289 /nfs/dbraw/zinc/82/82/89/454828289.db2.gz LNRGGHVOFJBLBX-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM CCOCC[N@@H+](CC)Cc1cc(=O)oc2cc(O)c(Cl)cc12 ZINC000285090214 455788439 /nfs/dbraw/zinc/78/84/39/455788439.db2.gz QECCCTUOQLGGEH-UHFFFAOYSA-N -1 2 325.792 3.010 20 0 EGADLM O=c1[nH]nc([C@H]2CCC[N@@H+](CC3CCC(C(F)(F)F)CC3)C2)[nH]1 ZINC000329612725 456915400 /nfs/dbraw/zinc/91/54/00/456915400.db2.gz CNWNSYOPGZRRFX-CXQJBGSLSA-N -1 2 332.370 3.058 20 0 EGADLM CC(C)(CCN=c1[nH]nc(Cc2ccc(Cl)cc2)s1)C(=O)[O-] ZINC000424371332 458628197 /nfs/dbraw/zinc/62/81/97/458628197.db2.gz FUISGJUWPIGQGB-UHFFFAOYSA-N -1 2 339.848 3.117 20 0 EGADLM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1c(F)cccc1Cl ZINC000547559857 458760077 /nfs/dbraw/zinc/76/00/77/458760077.db2.gz RLJBPWNRHKMDEX-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM CC(C)(C)c1nc(=NC(=O)c2ccc(C(F)(F)F)cc2[O-])s[nH]1 ZINC000622350546 460252523 /nfs/dbraw/zinc/25/25/23/460252523.db2.gz KCWYKUZHNFFJIG-UHFFFAOYSA-N -1 2 345.346 3.234 20 0 EGADLM Cn1[n-]c(C(=O)Nc2c(O)c(Cl)cc(Cl)c2Cl)cc1=O ZINC000622481235 460267005 /nfs/dbraw/zinc/26/70/05/460267005.db2.gz LGTPVYZRDJKAQB-UHFFFAOYSA-N -1 2 336.562 3.044 20 0 EGADLM CCCC[N@H+](Cc1nc2c(cnn2C)c(=O)[nH]1)[C@H](C)c1ccc(C)o1 ZINC000621318624 460985245 /nfs/dbraw/zinc/98/52/45/460985245.db2.gz TUPLSLORLJMYIX-CYBMUJFWSA-N -1 2 343.431 3.334 20 0 EGADLM O=C(Cc1cncc(O)c1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000666456376 461637949 /nfs/dbraw/zinc/63/79/49/461637949.db2.gz IJKSLBSRPWPACW-UHFFFAOYSA-N -1 2 348.406 3.168 20 0 EGADLM C[C@H](CN(Cc1ccccc1)C(=O)c1c(O)cc(F)cc1F)C(=O)[O-] ZINC000827454577 600724195 /nfs/dbraw/zinc/72/41/95/600724195.db2.gz COARUNBBGZZXAU-LLVKDONJSA-N -1 2 349.333 3.034 20 0 EGADLM Cc1nc(NS(=O)(=O)c2cccc3ccccc32)sc1C(=O)[O-] ZINC000833003630 601501529 /nfs/dbraw/zinc/50/15/29/601501529.db2.gz UNYUBLNDHXLZHD-UHFFFAOYSA-N -1 2 348.405 3.104 20 0 EGADLM CCc1cc2c(C[N@@H+]3CCO[C@](C)(CC)C3)cc(=O)oc2cc1O ZINC000135609018 1293799736 /nfs/dbraw/zinc/79/97/36/1293799736.db2.gz HMTJPKZEPQEHPO-LJQANCHMSA-N -1 2 331.412 3.062 20 0 EGADLM Cc1ccc(F)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000156258816 1294134908 /nfs/dbraw/zinc/13/49/08/1294134908.db2.gz BWCGKEXUZWVFFL-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cc(F)c(O)cc1F ZINC001192877161 1367893813 /nfs/dbraw/zinc/89/38/13/1367893813.db2.gz QVZZATCMAXYUJD-QGZVFWFLSA-N -1 2 346.377 3.237 20 0 EGADLM O=C1N=NC([C@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)s3)C2)O1 ZINC001326503036 1388222177 /nfs/dbraw/zinc/22/21/77/1388222177.db2.gz DKSYMUUILAMLIG-ZDUSSCGKSA-N -1 2 342.424 3.278 20 0 EGADLM C[C@@H](Oc1ccc(O[P@@](=O)([O-])O)cc1)c1cccc(N(C)C)c1 ZINC001234332270 1376813161 /nfs/dbraw/zinc/81/31/61/1376813161.db2.gz NRRWZEAFONKJTM-GFCCVEGCSA-N -1 2 337.312 3.364 20 0 EGADLM C[C@@H](Oc1ccc(O[P@](=O)([O-])O)cc1)c1cccc(N(C)C)c1 ZINC001234332270 1376813165 /nfs/dbraw/zinc/81/31/65/1376813165.db2.gz NRRWZEAFONKJTM-GFCCVEGCSA-N -1 2 337.312 3.364 20 0 EGADLM CC(C)[C@H](CNc1c(F)cc(-c2nnn[n-]2)cc1F)c1cccnc1 ZINC000820021771 1427490660 /nfs/dbraw/zinc/49/06/60/1427490660.db2.gz YHJDSVBWNPZYKA-ZDUSSCGKSA-N -1 2 344.369 3.392 20 0 EGADLM CC(C)[C@H](CNc1c(F)cc(-c2nn[n-]n2)cc1F)c1cccnc1 ZINC000820021771 1427490670 /nfs/dbraw/zinc/49/06/70/1427490670.db2.gz YHJDSVBWNPZYKA-ZDUSSCGKSA-N -1 2 344.369 3.392 20 0 EGADLM Cc1cc(C)c(S(=O)(=O)Nc2cccc(CCC(=O)[O-])c2)s1 ZINC000320121235 970616857 /nfs/dbraw/zinc/61/68/57/970616857.db2.gz NOLJBFAEAGLHBP-UHFFFAOYSA-N -1 2 339.438 3.183 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2cc(F)ccc2C)sc1C(=O)[O-] ZINC000037225810 213136347 /nfs/dbraw/zinc/13/63/47/213136347.db2.gz DIVMQTMUKZRHLH-UHFFFAOYSA-N -1 2 329.374 3.003 20 0 EGADLM CCc1cc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)ccc1F ZINC000507582960 312078409 /nfs/dbraw/zinc/07/84/09/312078409.db2.gz ZHNGBOOJPATWKX-UHFFFAOYSA-N -1 2 343.401 3.257 20 0 EGADLM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1cc(F)ccc1F ZINC000547556629 314916205 /nfs/dbraw/zinc/91/62/05/314916205.db2.gz BGWBONWMOUOEEH-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM Cc1c(NS(=O)(=O)c2ccc(Cl)cc2F)cccc1C(=O)[O-] ZINC000065844544 454630341 /nfs/dbraw/zinc/63/03/41/454630341.db2.gz BYMIMFSSTAQKQU-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM Cc1cc(C)c(S(=O)(=O)Nc2c(C)cc(C)cc2C(=O)[O-])s1 ZINC000320521505 456630528 /nfs/dbraw/zinc/63/05/28/456630528.db2.gz RCIHUOZIMZSURK-UHFFFAOYSA-N -1 2 339.438 3.481 20 0 EGADLM Cc1cc(NC(=O)[C@H](C)[N@H+]2CCc3[nH]c4ccc(C)cc4c3C2)on1 ZINC000364153003 457502075 /nfs/dbraw/zinc/50/20/75/457502075.db2.gz CBGGNQZWAMYBDE-ZDUSSCGKSA-N -1 2 338.411 3.158 20 0 EGADLM C[C@@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)[C@H](c2ccccc2)CO1 ZINC000459372841 458348690 /nfs/dbraw/zinc/34/86/90/458348690.db2.gz ZTQMKNPTNGFUNS-DYVFJYSZSA-N -1 2 325.412 3.022 20 0 EGADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cccc3cc[nH]c32)c1 ZINC000548150013 458846023 /nfs/dbraw/zinc/84/60/23/458846023.db2.gz POPXTGFFEFZCAF-UHFFFAOYSA-N -1 2 348.355 3.114 20 0 EGADLM Cc1cc(Br)c(O)c(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1 ZINC000572983179 459606193 /nfs/dbraw/zinc/60/61/93/459606193.db2.gz JHIDPAXGNKVULT-VIFPVBQESA-N -1 2 338.205 3.004 20 0 EGADLM Cc1cc(Br)c(O)c(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1 ZINC000572983179 459606199 /nfs/dbraw/zinc/60/61/99/459606199.db2.gz JHIDPAXGNKVULT-VIFPVBQESA-N -1 2 338.205 3.004 20 0 EGADLM O=C([O-])c1sccc1NS(=O)(=O)c1cc(F)ccc1Cl ZINC000097895147 599924017 /nfs/dbraw/zinc/92/40/17/599924017.db2.gz NXVYHYVZTCVIRT-UHFFFAOYSA-N -1 2 335.765 3.040 20 0 EGADLM CCc1cccc(CC)c1NS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000314480202 600544526 /nfs/dbraw/zinc/54/45/26/600544526.db2.gz PHTHLHMQQWFKAM-UHFFFAOYSA-N -1 2 339.438 3.372 20 0 EGADLM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccc(C)c(F)c1 ZINC000833751379 605125761 /nfs/dbraw/zinc/12/57/61/605125761.db2.gz VWMJAZLAUWGMFL-UHFFFAOYSA-N -1 2 329.374 3.003 20 0 EGADLM Cc1cc(F)cc(NS(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)c1 ZINC000156366879 1294140405 /nfs/dbraw/zinc/14/04/05/1294140405.db2.gz UCLIIHOOBKKXQI-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM O=C([O-])c1cc(Nc2ccc(N3CCCCC3)[nH+]c2)cc(C(=O)[O-])c1 ZINC001176236216 1385523230 /nfs/dbraw/zinc/52/32/30/1385523230.db2.gz HVTYFLRYBHWETJ-UHFFFAOYSA-N -1 2 341.367 3.212 20 0 EGADLM Cc1cc(C)c(S(=O)(=O)Nc2ccc(CCC(=O)[O-])cc2)s1 ZINC000320232148 970634865 /nfs/dbraw/zinc/63/48/65/970634865.db2.gz VWSDQBIEAIBVAS-UHFFFAOYSA-N -1 2 339.438 3.183 20 0 EGADLM Cc1cc(C)c(S(=O)(=O)Nc2ccc(C)c(C(=O)[O-])c2)s1 ZINC000314962120 154156480 /nfs/dbraw/zinc/15/64/80/154156480.db2.gz RPJSYJOVQTYICG-UHFFFAOYSA-N -1 2 325.411 3.172 20 0 EGADLM O=C(c1cccc(O)c1)N1CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC000279184368 275310580 /nfs/dbraw/zinc/31/05/80/275310580.db2.gz BZAKEFLGUHPOPO-UHFFFAOYSA-N -1 2 346.377 3.288 20 0 EGADLM C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cc(O)cc(F)c3)c2)CCO1 ZINC000185490354 455566016 /nfs/dbraw/zinc/56/60/16/455566016.db2.gz QQUMSWVVJWZQET-OAHLLOKOSA-N -1 2 344.430 3.042 20 0 EGADLM C[C@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)[C@H](c2ccccc2)CO1 ZINC000459372842 458348548 /nfs/dbraw/zinc/34/85/48/458348548.db2.gz ZTQMKNPTNGFUNS-GUYCJALGSA-N -1 2 325.412 3.022 20 0 EGADLM Cc1ccsc1S(=O)(=O)Nc1c(C)cc(C)cc1C(=O)[O-] ZINC000607614665 460874449 /nfs/dbraw/zinc/87/44/49/460874449.db2.gz GKNQVQILOUIMSQ-UHFFFAOYSA-N -1 2 325.411 3.172 20 0 EGADLM C[C@H](NC(=O)c1cccc2[nH]nnc21)c1cccc(C(F)(F)F)c1 ZINC000182673298 547083364 /nfs/dbraw/zinc/08/33/64/547083364.db2.gz VOZPPDJCNLKMMS-VIFPVBQESA-N -1 2 334.301 3.468 20 0 EGADLM CN(Cc1ccc(NC(=O)c2c(O)cc(F)cc2F)cc1)C(=O)[O-] ZINC000737480024 576235853 /nfs/dbraw/zinc/23/58/53/576235853.db2.gz DIICHYMYDGZLKN-UHFFFAOYSA-N -1 2 336.294 3.033 20 0 EGADLM C[C@@H](CN(Cc1ccccc1)C(=O)c1c(O)cc(F)cc1F)C(=O)[O-] ZINC000827454580 600724264 /nfs/dbraw/zinc/72/42/64/600724264.db2.gz COARUNBBGZZXAU-NSHDSACASA-N -1 2 349.333 3.034 20 0 EGADLM Cc1nc(NC(=O)c2c(O)cc(Cl)cc2Cl)sc1C(=O)[O-] ZINC000833002086 601209005 /nfs/dbraw/zinc/20/90/05/601209005.db2.gz MCMZRDLOGVYCMX-UHFFFAOYSA-N -1 2 347.179 3.414 20 0 EGADLM Cc1ccc2cccc(S(=O)(=O)Nc3cc(C(=O)[O-])cs3)c2n1 ZINC000832962250 602116355 /nfs/dbraw/zinc/11/63/55/602116355.db2.gz ZDEYNUWDQCPBEE-UHFFFAOYSA-N -1 2 348.405 3.104 20 0 EGADLM O=C([O-])c1csc(NS(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000833343818 602118429 /nfs/dbraw/zinc/11/84/29/602118429.db2.gz QQUHNBLVJSMMAR-UHFFFAOYSA-N -1 2 335.765 3.040 20 0 EGADLM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccc(C)cc1C ZINC000833751081 605128317 /nfs/dbraw/zinc/12/83/17/605128317.db2.gz NWHHREHWYSQYDT-UHFFFAOYSA-N -1 2 325.411 3.172 20 0 EGADLM Cc1cc(C)c(S(=O)(=O)Nc2ccc(C)c(C(=O)[O-])c2C)s1 ZINC000871775905 1296528699 /nfs/dbraw/zinc/52/86/99/1296528699.db2.gz ORNLSJYYPRQDMG-UHFFFAOYSA-N -1 2 339.438 3.481 20 0 EGADLM Cc1nc([C@@H](C)NC(=O)C(F)(F)c2cc(Cl)ccc2Cl)n[nH]1 ZINC000817604440 1319412834 /nfs/dbraw/zinc/41/28/34/1319412834.db2.gz WYKWRRKDGNXXHW-ZCFIWIBFSA-N -1 2 349.168 3.389 20 0 EGADLM CN(Cc1ccccc1)c1ccc(Nc2ccc(C(N)=O)c(O)c2)c[nH+]1 ZINC001203518291 1370152035 /nfs/dbraw/zinc/15/20/35/1370152035.db2.gz BELQMOYTLTVVKR-UHFFFAOYSA-N -1 2 348.406 3.266 20 0 EGADLM O=C(Nc1c(Cl)ccc([O-])c1Cl)c1n[nH]nc1C(F)(F)F ZINC001187766103 1388157840 /nfs/dbraw/zinc/15/78/40/1388157840.db2.gz GNVIUFWUIWZOKV-UHFFFAOYSA-N -1 2 341.076 3.088 20 0 EGADLM Cc1cnc(O[C@@H]2CCC[N@H+](Cc3ccc(Cl)c(O)c3)C2)nc1 ZINC001231735466 1376309648 /nfs/dbraw/zinc/30/96/48/1376309648.db2.gz REBKEOCLSJNGAU-CQSZACIVSA-N -1 2 333.819 3.187 20 0 EGADLM O=C([O-])c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2O)cn1 ZINC001594802233 953749174 /nfs/dbraw/zinc/74/91/74/953749174.db2.gz PPTNXLGUJXZVSW-UHFFFAOYSA-N -1 2 327.123 3.045 20 0 EGADLM CC(C)(C)CC[C@@H](NC(=O)c1cc(F)cc(Cl)c1O)C(=O)[O-] ZINC001588649505 959752492 /nfs/dbraw/zinc/75/24/92/959752492.db2.gz UVDVGHLNWJPTLT-LLVKDONJSA-N -1 2 331.771 3.194 20 0 EGADLM Cc1cnc2c(cccc2S(=O)(=O)Nc2ccc(C(=O)[O-])s2)c1 ZINC000319848161 970580326 /nfs/dbraw/zinc/58/03/26/970580326.db2.gz PKBZFTDHDMBPSK-UHFFFAOYSA-N -1 2 348.405 3.104 20 0 EGADLM Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C)c2)s1 ZINC000314460172 154154138 /nfs/dbraw/zinc/15/41/38/154154138.db2.gz FMYPTGYJZNVGQB-UHFFFAOYSA-N -1 2 325.411 3.172 20 0 EGADLM CCCOc1ccccc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000315466990 154156113 /nfs/dbraw/zinc/15/61/13/154156113.db2.gz BZAGRFZXWJREHF-UHFFFAOYSA-N -1 2 341.410 3.036 20 0 EGADLM Cc1ccc(S(=O)(=O)Nc2ncsc2C(C)C)cc1C(=O)[O-] ZINC000288279251 276196630 /nfs/dbraw/zinc/19/66/30/276196630.db2.gz RAFDXSVLTLYQBP-UHFFFAOYSA-N -1 2 340.426 3.074 20 0 EGADLM C[N@H+](Cc1cc(O)ccc1Br)[C@H](CO)c1ccccc1 ZINC000295096361 308290757 /nfs/dbraw/zinc/29/07/57/308290757.db2.gz SDQYFEYDLUVDFY-MRXNPFEDSA-N -1 2 336.229 3.320 20 0 EGADLM CCc1ccc(NS(=O)(=O)c2cccc(F)c2F)c(C(=O)[O-])c1 ZINC000496074850 311657393 /nfs/dbraw/zinc/65/73/93/311657393.db2.gz WEHWBNLCINJLKX-UHFFFAOYSA-N -1 2 341.335 3.026 20 0 EGADLM COC(=O)c1cc(C(C)C)ccc1NC(=O)c1ccc2[nH]nnc2c1 ZINC000171543877 323239526 /nfs/dbraw/zinc/23/95/26/323239526.db2.gz MJFUHPDOFBTIHJ-UHFFFAOYSA-N -1 2 338.367 3.120 20 0 EGADLM Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)n1 ZINC000192599233 455649844 /nfs/dbraw/zinc/64/98/44/455649844.db2.gz KPWXMEBMHGRNAM-HIFRSBDPSA-N -1 2 343.402 3.286 20 0 EGADLM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1cc(Cl)ccc1F ZINC000340731459 456655432 /nfs/dbraw/zinc/65/54/32/456655432.db2.gz AQPJYKPWRGDSOH-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM Cc1ccccc1[C@@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)[C@H](C)CO1 ZINC000459339822 458335372 /nfs/dbraw/zinc/33/53/72/458335372.db2.gz MFCKOVUHFLMHCL-KDOFPFPSSA-N -1 2 339.439 3.330 20 0 EGADLM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cc(Cl)ccc1F ZINC000560011141 459291876 /nfs/dbraw/zinc/29/18/76/459291876.db2.gz BJTPMHUZCVLWPP-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(F)c(F)c(O)c1F ZINC000543582214 459670441 /nfs/dbraw/zinc/67/04/41/459670441.db2.gz RVQWEBLTTNGYNN-LLVKDONJSA-N -1 2 344.377 3.050 20 0 EGADLM CCCc1nsc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000398130821 547837295 /nfs/dbraw/zinc/83/72/95/547837295.db2.gz JQJCVKQCWDOEFN-ZBFHGGJFSA-N -1 2 330.501 3.235 20 0 EGADLM Cc1cc(NS(=O)(=O)c2cc(C)ccc2C)sc1C(=O)[O-] ZINC000020431960 599876009 /nfs/dbraw/zinc/87/60/09/599876009.db2.gz VOACOANULMYIGF-UHFFFAOYSA-N -1 2 325.411 3.172 20 0 EGADLM Cc1ccncc1NS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000320515764 601575795 /nfs/dbraw/zinc/57/57/95/601575795.db2.gz ZMMUTBQOZZDCMY-UHFFFAOYSA-N -1 2 348.405 3.104 20 0 EGADLM O=C(OCc1ccc(-n2cc[nH+]c2)cc1)c1cc(-c2ccco2)[nH]n1 ZINC000748502100 1299024515 /nfs/dbraw/zinc/02/45/15/1299024515.db2.gz IMMXFNZERRHWGJ-UHFFFAOYSA-N -1 2 334.335 3.212 20 0 EGADLM Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)c1 ZINC000749142006 1299152862 /nfs/dbraw/zinc/15/28/62/1299152862.db2.gz MJNXMGXISRWKGU-UHFFFAOYSA-N -1 2 337.372 3.250 20 0 EGADLM O=C(NC[C@@H]1CCCCC[N@@H+]1Cc1nccs1)c1ccccc1O ZINC000968756103 1336039873 /nfs/dbraw/zinc/03/98/73/1336039873.db2.gz MHDJGECBVUUJEX-AWEZNQCLSA-N -1 2 345.468 3.023 20 0 EGADLM O=[P@@]([O-])(O)c1ccc(-c2ccnc(Oc3ccccc3)c2)cc1 ZINC001238852361 1377002674 /nfs/dbraw/zinc/00/26/74/1377002674.db2.gz DNZKCAAKURGZFO-UHFFFAOYSA-N -1 2 327.276 3.344 20 0 EGADLM O=[P@]([O-])(O)c1ccc(-c2ccnc(Oc3ccccc3)c2)cc1 ZINC001238852361 1377002679 /nfs/dbraw/zinc/00/26/79/1377002679.db2.gz DNZKCAAKURGZFO-UHFFFAOYSA-N -1 2 327.276 3.344 20 0 EGADLM COC(=O)C1(Nc2cc([S-])cc(S)c2)Cc2ccccc2C1 ZINC001162026649 1382607078 /nfs/dbraw/zinc/60/70/78/1382607078.db2.gz LFEGIYXOKUKZKG-UHFFFAOYSA-N -1 2 331.462 3.387 20 0 EGADLM C[N@H+](CC=C(Cl)Cl)[C@@H]1CCCN(C(=O)c2ccccc2O)C1 ZINC001317372385 1385106418 /nfs/dbraw/zinc/10/64/18/1385106418.db2.gz VYKHZSLJLNWXGC-GFCCVEGCSA-N -1 2 343.254 3.248 20 0 EGADLM CCc1cccc(C)c1NS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000038058460 957350619 /nfs/dbraw/zinc/35/06/19/957350619.db2.gz ICJXLOPEEITVKL-UHFFFAOYSA-N -1 2 325.411 3.118 20 0 EGADLM CCc1cccc(S(=O)(=O)Nc2cc(C)c(C(=O)[O-])s2)c1 ZINC000830270002 979015572 /nfs/dbraw/zinc/01/55/72/979015572.db2.gz JGABLTYOONLIRQ-UHFFFAOYSA-N -1 2 325.411 3.118 20 0 EGADLM C[C@H]1Cc2ccccc2N(C(=O)c2cccc(Cl)c2O)[C@H]1C(=O)[O-] ZINC001599937437 985413523 /nfs/dbraw/zinc/41/35/23/985413523.db2.gz PGTZUHFIQWJZFJ-ZUZCIYMTSA-N -1 2 345.782 3.338 20 0 EGADLM CCc1cccc(C(=O)[O-])c1NS(=O)(=O)c1c(C)cccc1F ZINC001597593122 988425048 /nfs/dbraw/zinc/42/50/48/988425048.db2.gz MUTLMPMYYIHDPK-UHFFFAOYSA-N -1 2 337.372 3.196 20 0 EGADLM O=C([O-])c1cc(Cl)ccc1NS(=O)(=O)c1cc(F)ccc1F ZINC000013087939 275120520 /nfs/dbraw/zinc/12/05/20/275120520.db2.gz JIQXYEUQYKVHLU-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM Cc1ncc(S(=O)(=O)Nc2c(C(=O)[O-])cccc2C(C)C)s1 ZINC000339075976 302702217 /nfs/dbraw/zinc/70/22/17/302702217.db2.gz YLIGZLBHKDBCRK-UHFFFAOYSA-N -1 2 340.426 3.074 20 0 EGADLM CCc1ccc(NS(=O)(=O)c2ccc(C)s2)c(C(=O)[O-])c1 ZINC000314137025 308765369 /nfs/dbraw/zinc/76/53/69/308765369.db2.gz FVRCYRJCEGLGFF-UHFFFAOYSA-N -1 2 325.411 3.118 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2ccc3ccoc3c2)sc1C(=O)[O-] ZINC000442844378 309888924 /nfs/dbraw/zinc/88/89/24/309888924.db2.gz LOYCBNQCXVGEKD-UHFFFAOYSA-N -1 2 337.378 3.302 20 0 EGADLM CCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1Cl ZINC000507569462 312077968 /nfs/dbraw/zinc/07/79/68/312077968.db2.gz WCSMRNNTSKMDQX-UHFFFAOYSA-N -1 2 345.829 3.463 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])sc1C ZINC000358558279 458076617 /nfs/dbraw/zinc/07/66/17/458076617.db2.gz XHVKKIXBZNDOHQ-UHFFFAOYSA-N -1 2 329.374 3.003 20 0 EGADLM Cc1cccc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1O ZINC000128799847 455084417 /nfs/dbraw/zinc/08/44/17/455084417.db2.gz IMZLNEVMJPEXCO-AWEZNQCLSA-N -1 2 330.453 3.281 20 0 EGADLM Cc1cc(C)c(S(=O)(=O)Nc2c(C)cccc2C(=O)[O-])s1 ZINC000315056865 456605837 /nfs/dbraw/zinc/60/58/37/456605837.db2.gz CZDHKNMAHUMEIR-UHFFFAOYSA-N -1 2 325.411 3.172 20 0 EGADLM Cc1cc2[nH]ncc2cc1NS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000479127047 459123239 /nfs/dbraw/zinc/12/32/39/459123239.db2.gz YMFHJBIVNAYZLZ-UHFFFAOYSA-N -1 2 339.779 3.465 20 0 EGADLM CCCC[N@@H+](Cc1ccccc1F)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000621318474 460986292 /nfs/dbraw/zinc/98/62/92/460986292.db2.gz IRMIWDFNIKZZET-UHFFFAOYSA-N -1 2 343.406 3.010 20 0 EGADLM Cc1ccc(NC(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)c(O)c1 ZINC000646599966 461345783 /nfs/dbraw/zinc/34/57/83/461345783.db2.gz VWZNWXFRUMBFKM-JTQLQIEISA-N -1 2 327.306 3.109 20 0 EGADLM Cc1nc(NS(=O)(=O)c2ccc3ccccc3c2)sc1C(=O)[O-] ZINC000738864840 576366133 /nfs/dbraw/zinc/36/61/33/576366133.db2.gz HCIUQIDYQUZDOM-UHFFFAOYSA-N -1 2 348.405 3.104 20 0 EGADLM CCCc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000829566070 602117329 /nfs/dbraw/zinc/11/73/29/602117329.db2.gz CABSQSVLQUGGQO-UHFFFAOYSA-N -1 2 325.411 3.200 20 0 EGADLM Cc1cc(Cl)ccc1S(=O)(=O)Nc1cc(C(=O)[O-])cs1 ZINC000832886818 602117711 /nfs/dbraw/zinc/11/77/11/602117711.db2.gz MJGIGWRDKVGTRK-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2O)C1 ZINC000833418289 605002575 /nfs/dbraw/zinc/00/25/75/605002575.db2.gz MCZJMONNMWVJHW-SECBINFHSA-N -1 2 343.782 3.148 20 0 EGADLM Cc1cc(F)c(S(=O)(=O)Nc2cccc(Cl)c2)cc1C(=O)[O-] ZINC000156245486 1294134975 /nfs/dbraw/zinc/13/49/75/1294134975.db2.gz YPVVKLIDATWBRH-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM Cc1cccc(O[C@@H]2CCC[N@H+](Cc3cc(F)c(O)c(F)c3)C2)n1 ZINC001140994594 1378203931 /nfs/dbraw/zinc/20/39/31/1378203931.db2.gz URSDJWIKNRUNMI-CQSZACIVSA-N -1 2 334.366 3.417 20 0 EGADLM Cc1c(CNc2ccc([P@@](=O)([O-])O)cc2)cccc1C(F)(F)F ZINC001168542035 1383933247 /nfs/dbraw/zinc/93/32/47/1383933247.db2.gz DZKGPYWIKXZFFH-UHFFFAOYSA-N -1 2 345.257 3.429 20 0 EGADLM Cc1c(CNc2ccc([P@](=O)([O-])O)cc2)cccc1C(F)(F)F ZINC001168542035 1383933249 /nfs/dbraw/zinc/93/32/49/1383933249.db2.gz DZKGPYWIKXZFFH-UHFFFAOYSA-N -1 2 345.257 3.429 20 0 EGADLM Cc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1C(=O)[O-] ZINC000110988708 162141461 /nfs/dbraw/zinc/14/14/61/162141461.db2.gz ISEKAOLIRLCBBX-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ncsc1C(C)C ZINC000288125862 276184959 /nfs/dbraw/zinc/18/49/59/276184959.db2.gz DGBKLGLTBOECKL-UHFFFAOYSA-N -1 2 340.426 3.074 20 0 EGADLM CCCC[C@@H](Sc1ccc(=NCc2ccccc2F)[nH]n1)C(=O)[O-] ZINC000570741326 317101042 /nfs/dbraw/zinc/10/10/42/317101042.db2.gz ZIIOAZNJCSCKSV-CQSZACIVSA-N -1 2 349.431 3.385 20 0 EGADLM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccccc1F ZINC000013278874 453455238 /nfs/dbraw/zinc/45/52/38/453455238.db2.gz VVIQSNSKMRRSNE-UHFFFAOYSA-N -1 2 341.385 3.047 20 0 EGADLM O=C([O-])c1cc(NS(=O)(=O)c2c(F)cccc2F)ccc1Cl ZINC000047318121 454356511 /nfs/dbraw/zinc/35/65/11/454356511.db2.gz LCJXJCGSEBMWIW-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM CCc1ccc(NS(=O)(=O)c2c(F)cccc2F)c(C(=O)[O-])c1 ZINC000323375370 456653613 /nfs/dbraw/zinc/65/36/13/456653613.db2.gz FNBNNTWYOFKGEH-UHFFFAOYSA-N -1 2 341.335 3.026 20 0 EGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc3ccccc32)c(F)c1 ZINC000325683937 456686053 /nfs/dbraw/zinc/68/60/53/456686053.db2.gz MCJCTCFSAPBONL-UHFFFAOYSA-N -1 2 345.351 3.478 20 0 EGADLM CC(C)(C)c1nc(=NC(=O)c2cc(F)cc(Cl)c2[O-])s[nH]1 ZINC000436780268 458379758 /nfs/dbraw/zinc/37/97/58/458379758.db2.gz ZGSLBAKPZBHKBO-UHFFFAOYSA-N -1 2 329.784 3.008 20 0 EGADLM Cc1cc(F)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2C)cc1F ZINC000547560385 458760261 /nfs/dbraw/zinc/76/02/61/458760261.db2.gz BYRYFPHDAHEHSX-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000582286765 459340328 /nfs/dbraw/zinc/34/03/28/459340328.db2.gz KECLUMCEYRTHMK-GOSISDBHSA-N -1 2 349.438 3.310 20 0 EGADLM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000833741975 605127651 /nfs/dbraw/zinc/12/76/51/605127651.db2.gz YGOWZXZKULHHLZ-UHFFFAOYSA-N -1 2 349.792 3.348 20 0 EGADLM CCOCCS(=O)(=O)[N-]c1cc(Cl)c(CC)c(Cl)c1O ZINC001187286314 1388088611 /nfs/dbraw/zinc/08/86/11/1388088611.db2.gz HBGJTFXYHNMHHH-UHFFFAOYSA-N -1 2 342.244 3.040 20 0 EGADLM Cc1oncc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1[S-] ZINC001187369874 1388100399 /nfs/dbraw/zinc/10/03/99/1388100399.db2.gz ZUUGPQQZIHRCPA-UHFFFAOYSA-N -1 2 338.332 3.091 20 0 EGADLM Cc1cccc(OC[C@@H](C)Oc2ccc(O[P@@](=O)([O-])O)cc2)c1 ZINC001234333807 1376812817 /nfs/dbraw/zinc/81/28/17/1376812817.db2.gz ZNJLRMHZNVQLCR-CYBMUJFWSA-N -1 2 338.296 3.313 20 0 EGADLM Cc1cccc(OC[C@@H](C)Oc2ccc(O[P@](=O)([O-])O)cc2)c1 ZINC001234333807 1376812822 /nfs/dbraw/zinc/81/28/22/1376812822.db2.gz ZNJLRMHZNVQLCR-CYBMUJFWSA-N -1 2 338.296 3.313 20 0 EGADLM O=[P@@]([O-])(O)c1ccc(NCc2ccc(-c3ccccn3)cc2)cc1 ZINC001169900869 1384196518 /nfs/dbraw/zinc/19/65/18/1384196518.db2.gz XMGKJFUETLWOEH-UHFFFAOYSA-N -1 2 340.319 3.164 20 0 EGADLM O=[P@]([O-])(O)c1ccc(NCc2ccc(-c3ccccn3)cc2)cc1 ZINC001169900869 1384196520 /nfs/dbraw/zinc/19/65/20/1384196520.db2.gz XMGKJFUETLWOEH-UHFFFAOYSA-N -1 2 340.319 3.164 20 0 EGADLM Cc1csc(C(=O)[O-])c1NS(=O)(=O)c1ccc(Cl)s1 ZINC000128303624 958655170 /nfs/dbraw/zinc/65/51/70/958655170.db2.gz JYXHXNBCNYRAQT-UHFFFAOYSA-N -1 2 337.831 3.270 20 0 EGADLM Cc1cc2cc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3F)ccc2[nH]1 ZINC000745977034 978679538 /nfs/dbraw/zinc/67/95/38/978679538.db2.gz OUKZKWBBFHASLA-UHFFFAOYSA-N -1 2 348.355 3.114 20 0 EGADLM CC[C@@](NC(=O)C(F)C(F)(F)F)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595232779 980125471 /nfs/dbraw/zinc/12/54/71/980125471.db2.gz HTTZTLVPLSRGQJ-SKDRFNHKSA-N -1 2 341.688 3.047 20 0 EGADLM CC[C@@](NC(=O)[C@@H](F)C(F)(F)F)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595232779 980125477 /nfs/dbraw/zinc/12/54/77/980125477.db2.gz HTTZTLVPLSRGQJ-SKDRFNHKSA-N -1 2 341.688 3.047 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2ccc(C)c(F)c2)sc1C(=O)[O-] ZINC000037225811 213135979 /nfs/dbraw/zinc/13/59/79/213135979.db2.gz LTJLVUUADIYXFQ-UHFFFAOYSA-N -1 2 329.374 3.003 20 0 EGADLM CC[N@H+](CCCNC(=O)NCc1ccc(O)c(F)c1)c1ccccc1 ZINC000303843539 154056607 /nfs/dbraw/zinc/05/66/07/154056607.db2.gz TUJKUOPALQDEPA-UHFFFAOYSA-N -1 2 345.418 3.247 20 0 EGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2)c(F)c1 ZINC000318210648 154159854 /nfs/dbraw/zinc/15/98/54/154159854.db2.gz GDLUFRIEHUXFCQ-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)ccc1C1CC1 ZINC000359069326 167057052 /nfs/dbraw/zinc/05/70/52/167057052.db2.gz MKCIKBNJYOBKOZ-UHFFFAOYSA-N -1 2 347.392 3.077 20 0 EGADLM CCc1ccc(NS(=O)(=O)c2ccc(Cl)s2)c(C(=O)[O-])c1 ZINC000314351922 308765499 /nfs/dbraw/zinc/76/54/99/308765499.db2.gz WGRRMVUQBMCPHZ-UHFFFAOYSA-N -1 2 345.829 3.463 20 0 EGADLM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1c(F)cccc1F ZINC000547549242 314915908 /nfs/dbraw/zinc/91/59/08/314915908.db2.gz WYKMJQQMBVNLHD-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM CC(C)c1ccc(NS(=O)(=O)c2cccs2)c(C(=O)[O-])c1 ZINC000071818201 454223707 /nfs/dbraw/zinc/22/37/07/454223707.db2.gz VKAUJAXARPTFKO-UHFFFAOYSA-N -1 2 325.411 3.371 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2cc(F)cc(Cl)c2)sc1C(=O)[O-] ZINC000150752676 454886820 /nfs/dbraw/zinc/88/68/20/454886820.db2.gz ZIJISYYBDPRNKF-UHFFFAOYSA-N -1 2 349.792 3.348 20 0 EGADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2cccc3ccsc32)c1 ZINC000443468897 457768176 /nfs/dbraw/zinc/76/81/76/457768176.db2.gz PSSLLUACVLAMIH-UHFFFAOYSA-N -1 2 349.389 3.106 20 0 EGADLM C[C@@H]1[C@H](O)CC[N@H+]1Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000650188550 461630873 /nfs/dbraw/zinc/63/08/73/461630873.db2.gz MODVUGDRIJIZTD-BXUZGUMPSA-N -1 2 341.436 3.019 20 0 EGADLM Cc1sc(NS(=O)(=O)c2ccc(C)cc2)c(C(=O)[O-])c1C ZINC000039207870 605022270 /nfs/dbraw/zinc/02/22/70/605022270.db2.gz FOHPGSYQFTZNIK-UHFFFAOYSA-N -1 2 325.411 3.172 20 0 EGADLM CC(C)C[C@@H](NC(=O)[O-])C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000833479919 605220996 /nfs/dbraw/zinc/22/09/96/605220996.db2.gz OQRBCKYPSDUSDA-SNVBAGLBSA-N -1 2 335.187 3.320 20 0 EGADLM Cc1cccc2sc(NS(=O)(=O)c3ccccc3C(=O)[O-])nc21 ZINC001198739499 1369102058 /nfs/dbraw/zinc/10/20/58/1369102058.db2.gz JFZMSQKTASVAMC-UHFFFAOYSA-N -1 2 348.405 3.104 20 0 EGADLM O=c1[nH]cncc1OC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001227049038 1375382322 /nfs/dbraw/zinc/38/23/22/1375382322.db2.gz PDEVTCYQFKHFSE-UHFFFAOYSA-N -1 2 333.391 3.035 20 0 EGADLM CC(C)(C)c1ccc(C[NH+]2CCN(Cc3ccncc3O)CC2)cc1 ZINC001140277349 1378038552 /nfs/dbraw/zinc/03/85/52/1378038552.db2.gz WGGZRBUADCIIEL-UHFFFAOYSA-N -1 2 339.483 3.403 20 0 EGADLM CCCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000390331643 972276009 /nfs/dbraw/zinc/27/60/09/972276009.db2.gz ZVKCVIVWOMICAT-UHFFFAOYSA-N -1 2 337.372 3.277 20 0 EGADLM CC[C@@](NC(=O)C(F)C(F)(F)F)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595232777 980125658 /nfs/dbraw/zinc/12/56/58/980125658.db2.gz HTTZTLVPLSRGQJ-CABZTGNLSA-N -1 2 341.688 3.047 20 0 EGADLM CC[C@@](NC(=O)[C@H](F)C(F)(F)F)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595232777 980125660 /nfs/dbraw/zinc/12/56/60/980125660.db2.gz HTTZTLVPLSRGQJ-CABZTGNLSA-N -1 2 341.688 3.047 20 0 EGADLM CCc1ccc(S(=O)(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)s1 ZINC001597562418 988306872 /nfs/dbraw/zinc/30/68/72/988306872.db2.gz YRXNLXMSELXIAH-JTQLQIEISA-N -1 2 339.438 3.299 20 0 EGADLM Cc1cccc2c(=O)c(C(=O)N3CCC[C@@H]3[C@H]3CCCO3)c[nH]c12 ZINC000288395543 276209614 /nfs/dbraw/zinc/20/96/14/276209614.db2.gz LWQLGYWWCFVMFI-HZPDHXFCSA-N -1 2 326.396 3.032 20 0 EGADLM O=S(=O)(CCC1CCCCC1)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000517216945 312369016 /nfs/dbraw/zinc/36/90/16/312369016.db2.gz VYZOLTVSKVHSPW-UHFFFAOYSA-N -1 2 348.472 3.039 20 0 EGADLM Cc1scnc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000530140352 313482201 /nfs/dbraw/zinc/48/22/01/313482201.db2.gz INFGBAOHALIOGU-UHFFFAOYSA-N -1 2 340.426 3.074 20 0 EGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3ccsc32)cs1 ZINC000386691397 324268795 /nfs/dbraw/zinc/26/87/95/324268795.db2.gz ZNGVWIIXNFODTL-UHFFFAOYSA-N -1 2 339.419 3.462 20 0 EGADLM C[C@]1(CO)CCC[N@@H+]1Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000579326230 325093916 /nfs/dbraw/zinc/09/39/16/325093916.db2.gz HLTOQPHCCLJPSX-QGZVFWFLSA-N -1 2 345.424 3.004 20 0 EGADLM CCCOc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000032599933 453879453 /nfs/dbraw/zinc/87/94/53/453879453.db2.gz WPJZGSFAHAHLEN-UHFFFAOYSA-N -1 2 341.410 3.036 20 0 EGADLM O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc2[nH]nnc21 ZINC000180081405 455128634 /nfs/dbraw/zinc/12/86/34/455128634.db2.gz KPJJDYXWQWORSL-UHFFFAOYSA-N -1 2 339.786 3.065 20 0 EGADLM C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cc(O)cc(F)c3)c2)CCO1 ZINC000185490375 455565618 /nfs/dbraw/zinc/56/56/18/455565618.db2.gz QQUMSWVVJWZQET-HNNXBMFYSA-N -1 2 344.430 3.042 20 0 EGADLM CC(C)c1ccc(C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)c(O)c1 ZINC000296291047 455901460 /nfs/dbraw/zinc/90/14/60/455901460.db2.gz QMFMTBVXDFUBMC-MRXNPFEDSA-N -1 2 327.428 3.472 20 0 EGADLM Cc1nc2cc(C(=O)Nc3nc(-c4ccccc4F)n[nH]3)ccc2o1 ZINC000352576695 457478724 /nfs/dbraw/zinc/47/87/24/457478724.db2.gz PZUJUWBPVJBAFR-UHFFFAOYSA-N -1 2 337.314 3.313 20 0 EGADLM CSc1cccc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000471970847 458757881 /nfs/dbraw/zinc/75/78/81/458757881.db2.gz ZTZULVMOMDELTO-UHFFFAOYSA-N -1 2 343.451 3.277 20 0 EGADLM O=C([O-])Cc1ccccc1OC(=O)[C@H]1SCCc2ccccc21 ZINC000833269955 600975321 /nfs/dbraw/zinc/97/53/21/600975321.db2.gz XDHAPHKIUIMAMW-KRWDZBQOSA-N -1 2 328.389 3.250 20 0 EGADLM S=c1nc(-c2ccccn2)[nH]n1C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001328598776 1388787026 /nfs/dbraw/zinc/78/70/26/1388787026.db2.gz SLSJPAKVRCRBNP-KBPBESRZSA-N -1 2 329.473 3.472 20 0 EGADLM CSc1ccc(NC(=O)c2cc(F)c(O)c(F)c2)cc1C(=O)[O-] ZINC001599817896 988458752 /nfs/dbraw/zinc/45/87/52/988458752.db2.gz ULEBXMPCSVPVFU-UHFFFAOYSA-N -1 2 339.319 3.343 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)sc1C(=O)[O-] ZINC000037225796 213136565 /nfs/dbraw/zinc/13/65/65/213136565.db2.gz XRYPLKGHSQSRFB-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM CS[C@@H](C)CCC(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000359441127 167157598 /nfs/dbraw/zinc/15/75/98/167157598.db2.gz FPAIRNRSQLJMLM-QMMMGPOBSA-N -1 2 326.372 3.220 20 0 EGADLM O=c1[nH]nc([C@H]2CCC[N@H+](CCOc3ccc4ccccc4c3)C2)o1 ZINC000450913212 310149440 /nfs/dbraw/zinc/14/94/40/310149440.db2.gz YIKWHYHZLSIQOQ-INIZCTEOSA-N -1 2 339.395 3.187 20 0 EGADLM CCc1ccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)[O-])s1 ZINC000049044432 454529694 /nfs/dbraw/zinc/52/96/94/454529694.db2.gz CUPLRDGHQZCOGF-UHFFFAOYSA-N -1 2 325.411 3.118 20 0 EGADLM O=c1cc(C[NH2+]C2(c3c(Cl)cccc3Cl)CC2)occ1O ZINC000271838179 455781080 /nfs/dbraw/zinc/78/10/80/455781080.db2.gz YNQSISPCEIXCQZ-UHFFFAOYSA-N -1 2 326.179 3.431 20 0 EGADLM CCOc1cc(C[N@H+]2CCC[C@H]2CF)cc(Br)c1O ZINC000297359625 456198805 /nfs/dbraw/zinc/19/88/05/456198805.db2.gz GOKFLOLPIRZFET-NSHDSACASA-N -1 2 332.213 3.487 20 0 EGADLM C[N@@H+](CCC(=O)OC(C)(C)C)Cc1cc(O)ccc1Br ZINC000354131667 457084438 /nfs/dbraw/zinc/08/44/38/457084438.db2.gz RNDNKUKHKRIKAK-UHFFFAOYSA-N -1 2 344.249 3.318 20 0 EGADLM CC1CCN(CC[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)CC1 ZINC000363036895 457205064 /nfs/dbraw/zinc/20/50/64/457205064.db2.gz SULJPRXJGRYIRH-UHFFFAOYSA-N -1 2 330.472 3.019 20 0 EGADLM O=C([O-])c1csc(S(=O)(=O)Nc2cccc(C(F)F)c2)c1 ZINC000357553616 457591906 /nfs/dbraw/zinc/59/19/06/457591906.db2.gz ZSMSUWSOAXPPEA-UHFFFAOYSA-N -1 2 333.337 3.185 20 0 EGADLM CCCC[N@H+]1CCOC[C@H]1c1nc(-c2ccc(O)c(OCC)c2)no1 ZINC000574511254 459827636 /nfs/dbraw/zinc/82/76/36/459827636.db2.gz DVOYXBAJNYPTJT-AWEZNQCLSA-N -1 2 347.415 3.014 20 0 EGADLM Cc1c2ccccc2oc1CNc1[nH+]c2c(cc1-c1nn[nH]n1)CCC2 ZINC000737210971 576136872 /nfs/dbraw/zinc/13/68/72/576136872.db2.gz IPRWLCJHGPIDPD-UHFFFAOYSA-N -1 2 346.394 3.417 20 0 EGADLM O=C([O-])Cc1csc(NC(=O)c2c(O)cc(Cl)cc2Cl)n1 ZINC000833269342 604666783 /nfs/dbraw/zinc/66/67/83/604666783.db2.gz NWLHKICDGJDOHH-UHFFFAOYSA-N -1 2 347.179 3.035 20 0 EGADLM Cc1cc(F)c(S(=O)(=O)Nc2cccc3[nH]ccc32)cc1C(=O)[O-] ZINC000156316680 1294138230 /nfs/dbraw/zinc/13/82/30/1294138230.db2.gz VUXOPYNWEOYBHQ-UHFFFAOYSA-N -1 2 348.355 3.114 20 0 EGADLM O=[P@@]([O-])(O)c1ccc(N[C@@H](c2ccccc2)c2ccncc2)cc1 ZINC001164080969 1383153907 /nfs/dbraw/zinc/15/39/07/1383153907.db2.gz FDMDHTXVSMSYBH-SFHVURJKSA-N -1 2 340.319 3.086 20 0 EGADLM O=[P@]([O-])(O)c1ccc(N[C@@H](c2ccccc2)c2ccncc2)cc1 ZINC001164080969 1383153908 /nfs/dbraw/zinc/15/39/08/1383153908.db2.gz FDMDHTXVSMSYBH-SFHVURJKSA-N -1 2 340.319 3.086 20 0 EGADLM Cc1cc(NS(=O)(=O)c2ccc(C)c(F)c2)sc1C(=O)[O-] ZINC000037404861 957278399 /nfs/dbraw/zinc/27/83/99/957278399.db2.gz KTHKJRGKOPMMIG-UHFFFAOYSA-N -1 2 329.374 3.003 20 0 EGADLM CCc1ccc(S(=O)(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)s1 ZINC001597562419 988307011 /nfs/dbraw/zinc/30/70/11/988307011.db2.gz YRXNLXMSELXIAH-SNVBAGLBSA-N -1 2 339.438 3.299 20 0 EGADLM Cc1cccc(C)c1OCC(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000237610501 141010713 /nfs/dbraw/zinc/01/07/13/141010713.db2.gz WKWSFAIJGWARQJ-YJBOKZPZSA-N -1 2 341.407 3.260 20 0 EGADLM O=C([O-])c1cc2cc(NC(=O)c3ccc4[nH]nnc4c3)ccc2s1 ZINC000178191915 144066119 /nfs/dbraw/zinc/06/61/19/144066119.db2.gz FOAUUIPYNLAHCE-UHFFFAOYSA-N -1 2 338.348 3.123 20 0 EGADLM O=S(=O)(C[C@H]1CCCCO1)[N-]c1cc(Cl)cc(Cl)c1O ZINC000273416703 267036594 /nfs/dbraw/zinc/03/65/94/267036594.db2.gz NWIAWIPDMPQLLT-SECBINFHSA-N -1 2 340.228 3.010 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)sc1Cl ZINC000188446646 456064928 /nfs/dbraw/zinc/06/49/28/456064928.db2.gz OOWDJXJZNVUCPM-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM O=C([O-])c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1F ZINC000340742070 456661341 /nfs/dbraw/zinc/66/13/41/456661341.db2.gz RRBLPYZVCUCOJY-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM Cc1ccccc1[C@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)[C@@H](C)CO1 ZINC000459339821 458335244 /nfs/dbraw/zinc/33/52/44/458335244.db2.gz MFCKOVUHFLMHCL-KBXCAEBGSA-N -1 2 339.439 3.330 20 0 EGADLM C[C@@H]1CCC[C@@H](OCC(=O)Nc2nc(-c3ccccc3F)n[nH]2)C1 ZINC000602936588 460192010 /nfs/dbraw/zinc/19/20/10/460192010.db2.gz KHIUCUKILPBERW-VXGBXAGGSA-N -1 2 332.379 3.145 20 0 EGADLM Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CCCN(c3cccc(F)c3F)CC2)n1 ZINC000660663858 461913238 /nfs/dbraw/zinc/91/32/38/461913238.db2.gz DHKWXCMIWHWMJY-CYBMUJFWSA-N -1 2 348.397 3.042 20 0 EGADLM O=C([O-])CC[C@H](NC(=O)c1c(O)cc(F)cc1F)c1ccccc1 ZINC000739662416 576494066 /nfs/dbraw/zinc/49/40/66/576494066.db2.gz DLXAAUXEFYPIRL-ZDUSSCGKSA-N -1 2 335.306 3.006 20 0 EGADLM Cc1cc(NS(=O)(=O)c2ccc(F)c(Cl)c2)sc1C(=O)[O-] ZINC000037404881 599875923 /nfs/dbraw/zinc/87/59/23/599875923.db2.gz BAZSWBFGEOKMSA-UHFFFAOYSA-N -1 2 349.792 3.348 20 0 EGADLM CC(C)(C)c1csc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)n1 ZINC000042305913 600053182 /nfs/dbraw/zinc/05/31/82/600053182.db2.gz JMTRZGHCDJLTSU-UHFFFAOYSA-N -1 2 346.455 3.001 20 0 EGADLM Cc1ncccc1NS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000321694602 600831280 /nfs/dbraw/zinc/83/12/80/600831280.db2.gz VTWJRSVIRMTRFP-UHFFFAOYSA-N -1 2 348.405 3.104 20 0 EGADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(Cl)cc2)c1F ZINC000749141280 1299151757 /nfs/dbraw/zinc/15/17/57/1299151757.db2.gz HDYAYOWAUVHBQZ-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM CC(C)[C@@H]([NH2+]Cc1ccc(O)c(F)c1)c1nc(-c2ccncc2)no1 ZINC000893341730 1305839941 /nfs/dbraw/zinc/83/99/41/1305839941.db2.gz AEGYXCYMIAILOE-MRXNPFEDSA-N -1 2 342.374 3.463 20 0 EGADLM CC1(C)C[N@H+](Cn2[nH]c(-c3ccccn3)nc2=S)[C@@H]2CCC[C@@H]21 ZINC000902674927 1317604453 /nfs/dbraw/zinc/60/44/53/1317604453.db2.gz ZXIPWPXXROYHFR-GXTWGEPZSA-N -1 2 329.473 3.471 20 0 EGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)s2)ccc1F ZINC001186150992 1387883163 /nfs/dbraw/zinc/88/31/63/1387883163.db2.gz QEIKKFLLJHUOGZ-UHFFFAOYSA-N -1 2 335.765 3.040 20 0 EGADLM Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001142669420 1378472418 /nfs/dbraw/zinc/47/24/18/1378472418.db2.gz MEMMQPCEQRKOTC-OAHLLOKOSA-N -1 2 346.814 3.395 20 0 EGADLM O=[P@@]([O-])(O)c1ccc(NCc2nc(-c3ccccc3)cs2)cc1 ZINC001170247619 1384276352 /nfs/dbraw/zinc/27/63/52/1384276352.db2.gz KLLSRAZVPQCWMQ-UHFFFAOYSA-N -1 2 346.348 3.225 20 0 EGADLM O=[P@]([O-])(O)c1ccc(NCc2nc(-c3ccccc3)cs2)cc1 ZINC001170247619 1384276355 /nfs/dbraw/zinc/27/63/55/1384276355.db2.gz KLLSRAZVPQCWMQ-UHFFFAOYSA-N -1 2 346.348 3.225 20 0 EGADLM O=C([O-])c1cc(Nc2cccc(Cn3cc[nH+]c3)c2)cc(C(=O)[O-])c1 ZINC001176241467 1385524773 /nfs/dbraw/zinc/52/47/73/1385524773.db2.gz HZEQFTZNHNTPEM-UHFFFAOYSA-N -1 2 337.335 3.071 20 0 EGADLM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1ccc(Cl)s1 ZINC000035306782 213019415 /nfs/dbraw/zinc/01/94/15/213019415.db2.gz OLZFFBKLLSOKIP-UHFFFAOYSA-N -1 2 335.765 3.040 20 0 EGADLM Cc1ccc(S(=O)(=O)Nc2ccc([C@@H](C)CC(=O)[O-])cc2)s1 ZINC000317508359 154158478 /nfs/dbraw/zinc/15/84/78/154158478.db2.gz PPTAXMZUAGHKFB-JTQLQIEISA-N -1 2 339.438 3.436 20 0 EGADLM Cc1ccc2sc(C[N@@H+]3CCC[C@H](C4N=NC(=O)O4)C3)nc2c1 ZINC000528491865 313103936 /nfs/dbraw/zinc/10/39/36/313103936.db2.gz FPBAOURCIRHROH-NSHDSACASA-N -1 2 330.413 3.073 20 0 EGADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2ccsc21 ZINC000386505891 324268091 /nfs/dbraw/zinc/26/80/91/324268091.db2.gz BCOLNDBEKFZVLA-UHFFFAOYSA-N -1 2 337.378 3.302 20 0 EGADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(-c3ccc[nH]3)cc2)c1 ZINC000341922870 457003373 /nfs/dbraw/zinc/00/33/73/457003373.db2.gz AAHLOYFNJGVBHW-UHFFFAOYSA-N -1 2 348.405 3.242 20 0 EGADLM Oc1cccc(C[N@H+]2CCOC3(CCCC3)C2)c1Br ZINC000459353464 458341100 /nfs/dbraw/zinc/34/11/00/458341100.db2.gz WMDZCGBDKPWCPI-UHFFFAOYSA-N -1 2 326.234 3.300 20 0 EGADLM C[C@H](C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1)c1ccccc1 ZINC000483142443 459344021 /nfs/dbraw/zinc/34/40/21/459344021.db2.gz IIXWANJCGWUNOI-JTQLQIEISA-N -1 2 328.322 3.492 20 0 EGADLM Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)on1 ZINC000625660695 460232777 /nfs/dbraw/zinc/23/27/77/460232777.db2.gz ZZVYBBZYPQYKIN-TZMCWYRMSA-N -1 2 349.381 3.468 20 0 EGADLM CCOc1ccc(-n2[nH]c3c(c2=O)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000656471788 461758408 /nfs/dbraw/zinc/75/84/08/461758408.db2.gz FGIJKOMOUSVRDX-IBGZPJMESA-N -1 2 349.434 3.310 20 0 EGADLM Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])s2)c(C)c1 ZINC000035426817 601357274 /nfs/dbraw/zinc/35/72/74/601357274.db2.gz SLPNTSLSUBYYCT-UHFFFAOYSA-N -1 2 325.411 3.172 20 0 EGADLM Cc1oc(CN(C)C(=O)c2cc(F)cc(Cl)c2O)cc1C(=O)[O-] ZINC000833025510 601386391 /nfs/dbraw/zinc/38/63/91/601386391.db2.gz LCVAUOLTWBOZQV-UHFFFAOYSA-N -1 2 341.722 3.057 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)cc(C)c1F ZINC000832903761 602115874 /nfs/dbraw/zinc/11/58/74/602115874.db2.gz RZKWVHOCIOHXLT-UHFFFAOYSA-N -1 2 329.374 3.003 20 0 EGADLM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cc1C ZINC000322430817 1297191483 /nfs/dbraw/zinc/19/14/83/1297191483.db2.gz BSDCSCNJHXUVTC-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)c1cccc(Cl)c1O ZINC000846172438 1321773691 /nfs/dbraw/zinc/77/36/91/1321773691.db2.gz MIYRAIAPURKCKC-UHFFFAOYSA-N -1 2 347.846 3.035 20 0 EGADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)s1 ZINC001185879058 1387823909 /nfs/dbraw/zinc/82/39/09/1387823909.db2.gz GYXMQACGJDTUIL-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM CCc1nnc(N[C@@H](C)c2ccc(C)s2)c(-c2nnn[n-]2)c1CC ZINC000821528430 1428411129 /nfs/dbraw/zinc/41/11/29/1428411129.db2.gz NCNJBRYWHYXPMB-JTQLQIEISA-N -1 2 343.460 3.325 20 0 EGADLM CCc1nnc(N[C@@H](C)c2ccc(C)s2)c(-c2nn[n-]n2)c1CC ZINC000821528430 1428411133 /nfs/dbraw/zinc/41/11/33/1428411133.db2.gz NCNJBRYWHYXPMB-JTQLQIEISA-N -1 2 343.460 3.325 20 0 EGADLM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@H]1c1ccco1 ZINC000738152425 1426848872 /nfs/dbraw/zinc/84/88/72/1426848872.db2.gz SPGZDRXKGCCGLD-AWEZNQCLSA-N -1 2 338.371 3.219 20 0 EGADLM Cc1csc(C(=O)[O-])c1S(=O)(=O)Nc1cccc2cccnc21 ZINC000323195250 970974707 /nfs/dbraw/zinc/97/47/07/970974707.db2.gz NRYKLRCRFSYTGL-UHFFFAOYSA-N -1 2 348.405 3.104 20 0 EGADLM O=C([O-])[C@H]1C[C@@H](NC(=O)c2cc(F)cc(Cl)c2O)c2ccccc21 ZINC001594726812 957013463 /nfs/dbraw/zinc/01/34/63/957013463.db2.gz OSEBHEWEPGOYCV-SMDDNHRTSA-N -1 2 349.745 3.228 20 0 EGADLM CCc1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(C)s1 ZINC001597578584 988373539 /nfs/dbraw/zinc/37/35/39/988373539.db2.gz HSDGXFQRIJHIEH-UHFFFAOYSA-N -1 2 325.411 3.118 20 0 EGADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1csc2ccccc12 ZINC000351755726 144301942 /nfs/dbraw/zinc/30/19/42/144301942.db2.gz NIHUABNDZFXYMY-UHFFFAOYSA-N -1 2 337.378 3.302 20 0 EGADLM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1F ZINC000318998941 154162004 /nfs/dbraw/zinc/16/20/04/154162004.db2.gz VECNHLXTAPSLEY-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM CC(=O)N1CC[N@@H+](Cc2c(F)ccc(O)c2F)CC12CCCCC2 ZINC000294325790 308210884 /nfs/dbraw/zinc/21/08/84/308210884.db2.gz RGNYJLZJRAGJIF-UHFFFAOYSA-N -1 2 338.398 3.037 20 0 EGADLM C[N@H+](Cc1ccccc1N1CCOCC1)Cc1c(F)ccc(O)c1F ZINC000294948595 308275086 /nfs/dbraw/zinc/27/50/86/308275086.db2.gz PYXLYZGARYIHJN-UHFFFAOYSA-N -1 2 348.393 3.139 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2cccc3ccncc32)sc1C(=O)[O-] ZINC000321363791 308767782 /nfs/dbraw/zinc/76/77/82/308767782.db2.gz YQULEUBOXWHTIA-UHFFFAOYSA-N -1 2 348.405 3.104 20 0 EGADLM CCc1ccc(O)c(C(=O)Nc2nc(-c3ccccc3OC)n[nH]2)c1 ZINC000490149440 311134301 /nfs/dbraw/zinc/13/43/01/311134301.db2.gz SVOMXIHIRIFHGU-UHFFFAOYSA-N -1 2 338.367 3.001 20 0 EGADLM CCc1cccc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1 ZINC000512784976 312194706 /nfs/dbraw/zinc/19/47/06/312194706.db2.gz AHBFQYBKBRGEJA-UHFFFAOYSA-N -1 2 337.372 3.196 20 0 EGADLM CC(C)c1cccc(C(=O)[O-])c1NS(=O)(=O)c1cccs1 ZINC000512958639 312199135 /nfs/dbraw/zinc/19/91/35/312199135.db2.gz LTNISNDZJTVOMB-UHFFFAOYSA-N -1 2 325.411 3.371 20 0 EGADLM CC(C)c1nc([C@H]2CCCCN2C(=O)c2c(O)cccc2F)n[nH]1 ZINC000291782727 456755631 /nfs/dbraw/zinc/75/56/31/456755631.db2.gz GGAAHIQFGTZUGJ-GFCCVEGCSA-N -1 2 332.379 3.140 20 0 EGADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2cccc(C3CCC3)c2)c1 ZINC000436604017 458343247 /nfs/dbraw/zinc/34/32/47/458343247.db2.gz IAYZHUPKWCGWIX-UHFFFAOYSA-N -1 2 347.392 3.159 20 0 EGADLM C[C@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)[C@@H](c2ccccc2)CO1 ZINC000459372843 458347952 /nfs/dbraw/zinc/34/79/52/458347952.db2.gz ZTQMKNPTNGFUNS-SUMWQHHRSA-N -1 2 325.412 3.022 20 0 EGADLM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1sccc1C ZINC000530717337 458816439 /nfs/dbraw/zinc/81/64/39/458816439.db2.gz OMVOOEPPEQWDEL-UHFFFAOYSA-N -1 2 325.411 3.118 20 0 EGADLM COc1ccc(S(=O)(=O)Nc2cc3cn[nH]c3cc2C)c(C)c1C ZINC000479124499 459123628 /nfs/dbraw/zinc/12/36/28/459123628.db2.gz DTYBKZOIEJGHTO-UHFFFAOYSA-N -1 2 345.424 3.298 20 0 EGADLM Cc1cc(Br)c(O)c(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1 ZINC000572983178 459606992 /nfs/dbraw/zinc/60/69/92/459606992.db2.gz JHIDPAXGNKVULT-SECBINFHSA-N -1 2 338.205 3.004 20 0 EGADLM Cc1cc(Br)c(O)c(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1 ZINC000572983178 459606996 /nfs/dbraw/zinc/60/69/96/459606996.db2.gz JHIDPAXGNKVULT-SECBINFHSA-N -1 2 338.205 3.004 20 0 EGADLM Cc1cc(NS(=O)(=O)c2ccc3ncccc3c2)sc1C(=O)[O-] ZINC000738463773 576328873 /nfs/dbraw/zinc/32/88/73/576328873.db2.gz LCNPMHNUBIRLAZ-UHFFFAOYSA-N -1 2 348.405 3.104 20 0 EGADLM Cc1ccsc1S(=O)(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000738799369 576361989 /nfs/dbraw/zinc/36/19/89/576361989.db2.gz UWMJTLRGJLQHDH-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM O=C([O-])C[C@@H](NC(=O)c1cccc(Cl)c1O)c1ccc(F)cc1 ZINC000833773369 605239048 /nfs/dbraw/zinc/23/90/48/605239048.db2.gz VATOLJRFXXITKF-CYBMUJFWSA-N -1 2 337.734 3.131 20 0 EGADLM COc1ccc([C@H](CO)[N@H+](C)Cc2c(O)ccc(Cl)c2F)cc1 ZINC000191364296 1295673137 /nfs/dbraw/zinc/67/31/37/1295673137.db2.gz MVALONFJFIYPKY-HNNXBMFYSA-N -1 2 339.794 3.359 20 0 EGADLM Cc1coc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3F)cc12 ZINC000775296127 1303936216 /nfs/dbraw/zinc/93/62/16/1303936216.db2.gz SFFUIAOQSLOUHF-UHFFFAOYSA-N -1 2 349.339 3.379 20 0 EGADLM Oc1cccnc1C[NH+]1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001138393838 1377715696 /nfs/dbraw/zinc/71/56/96/1377715696.db2.gz WXBDENCQBOPVDW-UHFFFAOYSA-N -1 2 346.390 3.294 20 0 EGADLM CC(C)(C)c1csc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)n1 ZINC000049499018 957477784 /nfs/dbraw/zinc/47/77/84/957477784.db2.gz OIJDULOIUKJBOZ-UHFFFAOYSA-N -1 2 346.455 3.001 20 0 EGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(F)c2)c(F)cc1Cl ZINC001259212676 960665185 /nfs/dbraw/zinc/66/51/85/960665185.db2.gz UNJSBCXQXKKXGA-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2ccc(C)cc2C)sc1C(=O)[O-] ZINC000037238702 213135869 /nfs/dbraw/zinc/13/58/69/213135869.db2.gz LIDFIAWMMRANSL-UHFFFAOYSA-N -1 2 325.411 3.172 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)sc1Cl ZINC000188447082 153016952 /nfs/dbraw/zinc/01/69/52/153016952.db2.gz FTOFYCJKFSOHCN-UHFFFAOYSA-N -1 2 345.829 3.138 20 0 EGADLM Cc1cc2cccnc2c(NS(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000350277990 165024177 /nfs/dbraw/zinc/02/41/77/165024177.db2.gz ITRJKQRLLAELBK-UHFFFAOYSA-N -1 2 348.405 3.104 20 0 EGADLM Cc1csc(S(=O)(=O)Nc2ccc(CCCC(=O)[O-])cc2)c1 ZINC000451026711 310156350 /nfs/dbraw/zinc/15/63/50/310156350.db2.gz NSRDCHAFVMMTNQ-UHFFFAOYSA-N -1 2 339.438 3.265 20 0 EGADLM CCc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2C)s1 ZINC000048440765 454489127 /nfs/dbraw/zinc/48/91/27/454489127.db2.gz FBCFWVXPFACSGJ-UHFFFAOYSA-N -1 2 325.411 3.118 20 0 EGADLM Cc1ccc(F)c(S(=O)(=O)Nc2ccc3c(c2)[nH]cc3C(=O)[O-])c1 ZINC000347387940 457394860 /nfs/dbraw/zinc/39/48/60/457394860.db2.gz GODKFLNPNXLQME-UHFFFAOYSA-N -1 2 348.355 3.114 20 0 EGADLM Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459389829 458355776 /nfs/dbraw/zinc/35/57/76/458355776.db2.gz NVGXYTLIHQLXOD-QGZVFWFLSA-N -1 2 349.438 3.283 20 0 EGADLM CC(C)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000481455704 459255114 /nfs/dbraw/zinc/25/51/14/459255114.db2.gz WXFWAOFXPGLZKB-UHFFFAOYSA-N -1 2 335.381 3.015 20 0 EGADLM O=C([O-])[C@@]1(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)CC=CCC1 ZINC000653284492 461609939 /nfs/dbraw/zinc/60/99/39/461609939.db2.gz JDWXJIQRTGNTPM-AWEZNQCLSA-N -1 2 330.167 3.449 20 0 EGADLM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccc(C)c(C)c1 ZINC000833751249 605128333 /nfs/dbraw/zinc/12/83/33/605128333.db2.gz RZZCBINRPDNKTI-UHFFFAOYSA-N -1 2 325.411 3.172 20 0 EGADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc(Cl)c2)c1F ZINC000749140646 1299151159 /nfs/dbraw/zinc/15/11/59/1299151159.db2.gz DQSUGDQTAWQBCP-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc(F)c2C)c1F ZINC000749143825 1299153106 /nfs/dbraw/zinc/15/31/06/1299153106.db2.gz BFGCLQJCXBMORX-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM CCn1c[nH+]c2c1CCN(c1c(C(=O)[O-])c[nH+]c3ccc(C)cc31)C2 ZINC000910336281 1318607617 /nfs/dbraw/zinc/60/76/17/1318607617.db2.gz YFYMPRRVWNQARA-UHFFFAOYSA-N -1 2 336.395 3.021 20 0 EGADLM Cc1ccccc1OC[C@H](C)Oc1ccc(O[P@@](=O)([O-])O)cc1 ZINC001234332764 1376813083 /nfs/dbraw/zinc/81/30/83/1376813083.db2.gz RVHHPUUJDOZNDG-ZDUSSCGKSA-N -1 2 338.296 3.313 20 0 EGADLM Cc1ccccc1OC[C@H](C)Oc1ccc(O[P@](=O)([O-])O)cc1 ZINC001234332764 1376813088 /nfs/dbraw/zinc/81/30/88/1376813088.db2.gz RVHHPUUJDOZNDG-ZDUSSCGKSA-N -1 2 338.296 3.313 20 0 EGADLM O=C([O-])CCCNC(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC001595049997 951465907 /nfs/dbraw/zinc/46/59/07/951465907.db2.gz SKZLVELVEGMOKH-UHFFFAOYSA-N -1 2 333.771 3.307 20 0 EGADLM CC(C)(C)c1csc(NS(=O)(=O)c2csc(C(=O)[O-])c2)n1 ZINC000070157169 957662076 /nfs/dbraw/zinc/66/20/76/957662076.db2.gz GHBCWGVRLHDEAG-UHFFFAOYSA-N -1 2 346.455 3.001 20 0 EGADLM O=C([O-])c1cc(S(=O)(=O)Nc2csc3ccccc23)cs1 ZINC000351748647 144300804 /nfs/dbraw/zinc/30/08/04/144300804.db2.gz PSIUIVIWFKGCSR-UHFFFAOYSA-N -1 2 339.419 3.462 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)sc1Cl ZINC000188446681 153017203 /nfs/dbraw/zinc/01/72/03/153017203.db2.gz BLOBZJPYBADOTP-UHFFFAOYSA-N -1 2 345.829 3.138 20 0 EGADLM CCCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000315018814 154156947 /nfs/dbraw/zinc/15/69/47/154156947.db2.gz HWRZEHOYLIWZKA-UHFFFAOYSA-N -1 2 341.410 3.036 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2ncsc2C(C)C)ccc1C(=O)[O-] ZINC000288348058 276204627 /nfs/dbraw/zinc/20/46/27/276204627.db2.gz WSUYCRVWYUHCCC-UHFFFAOYSA-N -1 2 340.426 3.074 20 0 EGADLM Cc1cccc2c(=O)c(C(=O)N3CCC[C@H]3[C@H]3CCCO3)c[nH]c12 ZINC000288395549 276209594 /nfs/dbraw/zinc/20/95/94/276209594.db2.gz LWQLGYWWCFVMFI-JKSUJKDBSA-N -1 2 326.396 3.032 20 0 EGADLM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC000048807631 454516774 /nfs/dbraw/zinc/51/67/74/454516774.db2.gz DVEFVPMIDQJQNB-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1cc2ccccc2[nH]1 ZINC000340505189 456497856 /nfs/dbraw/zinc/49/78/56/456497856.db2.gz ATLJLXZKBVJJFZ-UHFFFAOYSA-N -1 2 339.305 3.484 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2cccc(C(F)F)c2)sc1C(=O)[O-] ZINC000357551311 457591145 /nfs/dbraw/zinc/59/11/45/457591145.db2.gz UFRYBDLYOZBDCG-UHFFFAOYSA-N -1 2 347.364 3.493 20 0 EGADLM O=C1N=NC([C@@H]2CCC[N@H+](CCSc3cccc(Cl)c3)C2)O1 ZINC000660464930 461795569 /nfs/dbraw/zinc/79/55/69/461795569.db2.gz UYZPDAVVCYUEOV-LLVKDONJSA-N -1 2 339.848 3.400 20 0 EGADLM O=C([O-])c1ccnc(NC(=O)c2c(O)cc(Cl)cc2Cl)c1 ZINC000833335151 601211425 /nfs/dbraw/zinc/21/14/25/601211425.db2.gz ONWUMIHPNHILSH-UHFFFAOYSA-N -1 2 327.123 3.045 20 0 EGADLM O=C([O-])c1csc(NC(=O)c2cccc(Br)c2O)c1 ZINC000833342798 604706972 /nfs/dbraw/zinc/70/69/72/604706972.db2.gz UYTWHSAGRFAWBV-UHFFFAOYSA-N -1 2 342.170 3.167 20 0 EGADLM Cc1cscc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000747795393 1298861498 /nfs/dbraw/zinc/86/14/98/1298861498.db2.gz WZYUSLYREAWPSQ-UHFFFAOYSA-N -1 2 329.374 3.003 20 0 EGADLM CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC001197166996 1368758677 /nfs/dbraw/zinc/75/86/77/1368758677.db2.gz GJBDODLJLRWNNK-HIFRSBDPSA-N -1 2 332.341 3.420 20 0 EGADLM Cc1ccccc1OC[C@@H](C)Oc1ccc(O[P@@](=O)([O-])O)cc1 ZINC001234332762 1376812758 /nfs/dbraw/zinc/81/27/58/1376812758.db2.gz RVHHPUUJDOZNDG-CYBMUJFWSA-N -1 2 338.296 3.313 20 0 EGADLM Cc1ccccc1OC[C@@H](C)Oc1ccc(O[P@](=O)([O-])O)cc1 ZINC001234332762 1376812764 /nfs/dbraw/zinc/81/27/64/1376812764.db2.gz RVHHPUUJDOZNDG-CYBMUJFWSA-N -1 2 338.296 3.313 20 0 EGADLM C[C@@H]1[C@@H](NC(=O)c2cccc(Cl)c2O)CC[N@@H+]1Cc1ccccc1 ZINC001141775517 1378373626 /nfs/dbraw/zinc/37/36/26/1378373626.db2.gz PXWAKSNDJRZYKO-DYVFJYSZSA-N -1 2 344.842 3.438 20 0 EGADLM C[C@@H]1[C@H](NC(=O)c2cccc(Cl)c2O)CC[N@@H+]1Cc1ccccc1 ZINC001141775516 1378374342 /nfs/dbraw/zinc/37/43/42/1378374342.db2.gz PXWAKSNDJRZYKO-CXAGYDPISA-N -1 2 344.842 3.438 20 0 EGADLM C[C@@H](NC(=O)c1cc(F)cc(Cl)c1O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589115269 956090896 /nfs/dbraw/zinc/09/08/96/956090896.db2.gz PZCYVEOCKAXVCV-PPKCKEKNSA-N -1 2 343.782 3.050 20 0 EGADLM C[C@H](NC(=O)c1cccc(Cl)c1O)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593175202 994043899 /nfs/dbraw/zinc/04/38/99/994043899.db2.gz HMYLXXGKQGKDNI-FZMZJTMJSA-N -1 2 347.798 3.107 20 0 EGADLM CC(C)Oc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000071798574 215834468 /nfs/dbraw/zinc/83/44/68/215834468.db2.gz VJAXANMVJTUZIY-UHFFFAOYSA-N -1 2 341.410 3.034 20 0 EGADLM C[N@@H+](Cc1cc(O)cc(F)c1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000186224768 144127729 /nfs/dbraw/zinc/12/77/29/144127729.db2.gz JYLCRWFUFOGQGX-QGZVFWFLSA-N -1 2 348.805 3.422 20 0 EGADLM Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000317070450 308766445 /nfs/dbraw/zinc/76/64/45/308766445.db2.gz ZHLZDVNOOFYSGK-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM O=C([O-])CCCCCN=c1[nH]nc(Cc2ccc(Cl)cc2)s1 ZINC000416427942 309171612 /nfs/dbraw/zinc/17/16/12/309171612.db2.gz RRQIFBBEIUPWAL-UHFFFAOYSA-N -1 2 339.848 3.261 20 0 EGADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ncsc1C(C)C ZINC000516597112 312332286 /nfs/dbraw/zinc/33/22/86/312332286.db2.gz SNCSLHTXRCSQEX-UHFFFAOYSA-N -1 2 346.455 3.135 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2cccc3cccnc32)sc1C(=O)[O-] ZINC000045774722 454180639 /nfs/dbraw/zinc/18/06/39/454180639.db2.gz XONPRQVXJJUZNM-UHFFFAOYSA-N -1 2 348.405 3.104 20 0 EGADLM O=c1[nH]nc([C@@H]2CCCC[N@@H+]2CC2CCC(C(F)(F)F)CC2)[nH]1 ZINC000333663149 456247213 /nfs/dbraw/zinc/24/72/13/456247213.db2.gz HIQDCQJWNYSYTP-MCIGGMRASA-N -1 2 332.370 3.406 20 0 EGADLM Cc1cc(C)c(C(=O)[O-])c(NS(=O)(=O)c2cc(F)ccc2F)c1 ZINC000356493238 457020395 /nfs/dbraw/zinc/02/03/95/457020395.db2.gz XHIYVPBSKRFKJF-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2cccc(C)c2C(=O)[O-])sc1C ZINC000358562195 458077956 /nfs/dbraw/zinc/07/79/56/458077956.db2.gz CRRZDVFMSUFQJX-UHFFFAOYSA-N -1 2 325.411 3.172 20 0 EGADLM Cc1ccc(NC(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)c(O)c1 ZINC000646599967 461345488 /nfs/dbraw/zinc/34/54/88/461345488.db2.gz VWZNWXFRUMBFKM-SNVBAGLBSA-N -1 2 327.306 3.109 20 0 EGADLM Cc1cc(C)c(-c2cc(=NC(=O)C[C@@H](C)n3cc[nH+]c3)[nH][nH]2)cc1C ZINC000653016995 461458689 /nfs/dbraw/zinc/45/86/89/461458689.db2.gz DIMUNEBBQZNFNR-OAHLLOKOSA-N -1 2 337.427 3.210 20 0 EGADLM CCSc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000737229431 576139403 /nfs/dbraw/zinc/13/94/03/576139403.db2.gz LDZCKSNMEIKHNB-UHFFFAOYSA-N -1 2 343.451 3.359 20 0 EGADLM Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2F)sc1C(=O)[O-] ZINC000037462719 599876140 /nfs/dbraw/zinc/87/61/40/599876140.db2.gz KEZUALGGVSRBBS-UHFFFAOYSA-N -1 2 349.792 3.348 20 0 EGADLM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000833741445 605124936 /nfs/dbraw/zinc/12/49/36/605124936.db2.gz MXQNJQZVGYMONC-UHFFFAOYSA-N -1 2 337.422 3.044 20 0 EGADLM Cc1cscc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000747794115 1298861003 /nfs/dbraw/zinc/86/10/03/1298861003.db2.gz GJJTUCHXOUBGKQ-UHFFFAOYSA-N -1 2 349.792 3.348 20 0 EGADLM CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1cccc(Cl)c1O ZINC000804869056 1317295464 /nfs/dbraw/zinc/29/54/64/1317295464.db2.gz KACNXRRUKFRROI-UHFFFAOYSA-N -1 2 336.819 3.233 20 0 EGADLM Cc1ccnc(O[C@H]2CCC[N@H+](Cc3ccc(Cl)c(O)c3)C2)n1 ZINC001231735431 1376309399 /nfs/dbraw/zinc/30/93/99/1376309399.db2.gz PGNBKHYWNGIORS-AWEZNQCLSA-N -1 2 333.819 3.187 20 0 EGADLM Cc1oc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2C)c1C(=O)[O-] ZINC000386204820 972036353 /nfs/dbraw/zinc/03/63/53/972036353.db2.gz KYXGHFVHHQRTAE-UHFFFAOYSA-N -1 2 343.788 3.357 20 0 EGADLM Cc1ccc(NS(=O)(=O)c2c(F)cccc2Cl)cc1C(=O)[O-] ZINC000126200358 162296695 /nfs/dbraw/zinc/29/66/95/162296695.db2.gz BGLZPQTXTJFUFJ-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM Cc1coc2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3F)cc12 ZINC000359069784 167058082 /nfs/dbraw/zinc/05/80/82/167058082.db2.gz JCQVLQVSGGXVEA-UHFFFAOYSA-N -1 2 349.339 3.379 20 0 EGADLM O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000033047692 453902323 /nfs/dbraw/zinc/90/23/23/453902323.db2.gz XSQYLOVDIDBHIP-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C)ccc1F ZINC000080951761 454655516 /nfs/dbraw/zinc/65/55/16/454655516.db2.gz KTDYAYOMRLSERM-UHFFFAOYSA-N -1 2 337.372 3.196 20 0 EGADLM Cc1cc(C)c(S(=O)(=O)Nc2cc(F)c(F)cc2C(=O)[O-])s1 ZINC000320323523 456628523 /nfs/dbraw/zinc/62/85/23/456628523.db2.gz FTLVRWFVZXOJMC-UHFFFAOYSA-N -1 2 347.364 3.142 20 0 EGADLM Cc1ccc2[nH+]c(CNCc3cc(O)ccc3Br)cn2c1 ZINC000356948276 457238030 /nfs/dbraw/zinc/23/80/30/457238030.db2.gz KGPNMQZQDDTOEK-UHFFFAOYSA-N -1 2 346.228 3.401 20 0 EGADLM O=c1cc(C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)nc(C2CC2)[nH]1 ZINC000459353688 458340456 /nfs/dbraw/zinc/34/04/56/458340456.db2.gz UCZUWUZRGXQMGH-FQEVSTJZSA-N -1 2 346.434 3.466 20 0 EGADLM Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)on1 ZINC000625660693 460232377 /nfs/dbraw/zinc/23/23/77/460232377.db2.gz ZZVYBBZYPQYKIN-JSGCOSHPSA-N -1 2 349.381 3.468 20 0 EGADLM C[C@@H]1[C@H](O)CC[N@H+]1Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000650188564 461630824 /nfs/dbraw/zinc/63/08/24/461630824.db2.gz NDHIHYZOMFYCCR-BXUZGUMPSA-N -1 2 341.436 3.019 20 0 EGADLM CCc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1CC ZINC000486085606 547968679 /nfs/dbraw/zinc/96/86/79/547968679.db2.gz KLTWULCVCPXRQW-UHFFFAOYSA-N -1 2 339.438 3.372 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2nc3ccccc3s2)ccc1C(=O)[O-] ZINC000391938052 600974033 /nfs/dbraw/zinc/97/40/33/600974033.db2.gz SFVOFOVYHONRFT-UHFFFAOYSA-N -1 2 348.405 3.104 20 0 EGADLM Cc1sc(NS(=O)(=O)c2ccc(F)cc2F)c(C(=O)[O-])c1C ZINC000833757882 605022710 /nfs/dbraw/zinc/02/27/10/605022710.db2.gz AOLYCEPRZDCORM-UHFFFAOYSA-N -1 2 347.364 3.142 20 0 EGADLM O=[P@@]([O-])(O)c1ccc(NCCOc2cccc3ccccc32)cc1 ZINC001169013882 1384089524 /nfs/dbraw/zinc/08/95/24/1384089524.db2.gz CHDPQMKSBSIJNY-UHFFFAOYSA-N -1 2 343.319 3.134 20 0 EGADLM O=[P@]([O-])(O)c1ccc(NCCOc2cccc3ccccc32)cc1 ZINC001169013882 1384089527 /nfs/dbraw/zinc/08/95/27/1384089527.db2.gz CHDPQMKSBSIJNY-UHFFFAOYSA-N -1 2 343.319 3.134 20 0 EGADLM Cc1oc(C)c(S(=O)(=O)Nc2cccc3c2CCCC3)c1C(=O)[O-] ZINC000391717424 972361651 /nfs/dbraw/zinc/36/16/51/972361651.db2.gz ACIUGAIHKRITPJ-UHFFFAOYSA-N -1 2 349.408 3.274 20 0 EGADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cccc3c2CCCC3)c1 ZINC000391729689 972362705 /nfs/dbraw/zinc/36/27/05/972362705.db2.gz JPQMOTTZYRYLBW-UHFFFAOYSA-N -1 2 349.383 3.204 20 0 EGADLM CSc1ccccc1NS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000314234355 963729761 /nfs/dbraw/zinc/72/97/61/963729761.db2.gz HFVUEOLFBRVCLJ-UHFFFAOYSA-N -1 2 341.410 3.117 20 0 EGADLM CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccsc1 ZINC000349035866 156325858 /nfs/dbraw/zinc/32/58/58/156325858.db2.gz KSNFAGCYUGORCU-UHFFFAOYSA-N -1 2 341.410 3.036 20 0 EGADLM Cc1cc(F)c(S(=O)(=O)Nc2cccc(C)c2C(=O)[O-])cc1F ZINC000355782146 166308043 /nfs/dbraw/zinc/30/80/43/166308043.db2.gz DQVGOBXVYHXYAX-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1c(F)ccc(O)c1F ZINC000295283112 308310629 /nfs/dbraw/zinc/31/06/29/308310629.db2.gz IPOJQHHUKVMTGS-SNVBAGLBSA-N -1 2 330.375 3.015 20 0 EGADLM CCc1ccc(NS(=O)(=O)c2cc(F)ccc2F)c(C(=O)[O-])c1 ZINC000391525161 308901551 /nfs/dbraw/zinc/90/15/51/308901551.db2.gz PLTZUERKEOSJLT-UHFFFAOYSA-N -1 2 341.335 3.026 20 0 EGADLM CSCc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000518311131 312411302 /nfs/dbraw/zinc/41/13/02/312411302.db2.gz KWUZHPVAXOUQFQ-UHFFFAOYSA-N -1 2 343.451 3.110 20 0 EGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)c(F)c2)c(F)c1 ZINC000076082556 453960317 /nfs/dbraw/zinc/96/03/17/453960317.db2.gz GBRHYGLVZWKLND-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2C)sc1C ZINC000091011003 454360692 /nfs/dbraw/zinc/36/06/92/454360692.db2.gz LZKPSYNFCMRDON-UHFFFAOYSA-N -1 2 325.411 3.172 20 0 EGADLM O=C(N=c1nc(Cc2ccccc2)[n-]s1)c1ccc(Cl)cc1O ZINC000436495744 458314860 /nfs/dbraw/zinc/31/48/60/458314860.db2.gz XBZFOFOXOAFKGY-UHFFFAOYSA-N -1 2 345.811 3.162 20 0 EGADLM Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459389820 458355900 /nfs/dbraw/zinc/35/59/00/458355900.db2.gz NVGXYTLIHQLXOD-KRWDZBQOSA-N -1 2 349.438 3.283 20 0 EGADLM Cc1cc(C)c(S(=O)(=O)Nc2c(C)ccc(F)c2C(=O)[O-])s1 ZINC000577616574 459061630 /nfs/dbraw/zinc/06/16/30/459061630.db2.gz ALMBQTYUCCAVMW-UHFFFAOYSA-N -1 2 343.401 3.311 20 0 EGADLM Cc1cc(NS(=O)(=O)c2cc(F)ccc2Cl)sc1C(=O)[O-] ZINC000097895138 599923877 /nfs/dbraw/zinc/92/38/77/599923877.db2.gz ODHISSKVJNOMLW-UHFFFAOYSA-N -1 2 349.792 3.348 20 0 EGADLM Cc1sc(NS(=O)(=O)c2cc(C)ccc2F)c(C(=O)[O-])c1C ZINC000833749557 605022677 /nfs/dbraw/zinc/02/26/77/605022677.db2.gz NCRAWTHFRSCEPC-UHFFFAOYSA-N -1 2 343.401 3.311 20 0 EGADLM CC(C)C[C@H](NC(=O)[O-])C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000833479917 605221210 /nfs/dbraw/zinc/22/12/10/605221210.db2.gz OQRBCKYPSDUSDA-JTQLQIEISA-N -1 2 335.187 3.320 20 0 EGADLM COCC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(Cl)c1O ZINC000180205776 1294868166 /nfs/dbraw/zinc/86/81/66/1294868166.db2.gz SDWAYURSQKMINE-UHFFFAOYSA-N -1 2 349.814 3.423 20 0 EGADLM Oc1cccc(C[NH2+]Cc2cccc3c2OCC3)c1Br ZINC000692960655 1298147541 /nfs/dbraw/zinc/14/75/41/1298147541.db2.gz YAJWYBUNAOSMOC-UHFFFAOYSA-N -1 2 334.213 3.379 20 0 EGADLM C[C@@]1(NC(=O)C(F)(F)F)CC[N@@H+](C/C=C\c2ccc(Cl)cc2)C1 ZINC001197167711 1368758784 /nfs/dbraw/zinc/75/87/84/1368758784.db2.gz LQPJGPYAKZBQLH-MPNWYJEXSA-N -1 2 346.780 3.496 20 0 EGADLM O=C(Nc1cc(Cl)ccc1O)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001335935046 1388970420 /nfs/dbraw/zinc/97/04/20/1388970420.db2.gz RDXCDTPOAZHROF-INIZCTEOSA-N -1 2 345.830 3.434 20 0 EGADLM C[C@H](CC(=O)[O-])NC(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC001603127176 972218500 /nfs/dbraw/zinc/21/85/00/972218500.db2.gz GEHFYLCYVNSHSV-SNVBAGLBSA-N -1 2 333.771 3.306 20 0 EGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)s1 ZINC000038058542 957352342 /nfs/dbraw/zinc/35/23/42/957352342.db2.gz LHOHLIMRUPOVAN-UHFFFAOYSA-N -1 2 335.765 3.040 20 0 EGADLM COc1ccc(C(=O)[O-])c(NC(=O)c2cccc(Cl)c2O)c1F ZINC001599490159 996923888 /nfs/dbraw/zinc/92/38/88/996923888.db2.gz MONNCKWTDZBCEW-UHFFFAOYSA-N -1 2 339.706 3.144 20 0 EGADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ncsc1C(C)C ZINC000288114905 276183923 /nfs/dbraw/zinc/18/39/23/276183923.db2.gz CECRWQXEYHTZGQ-UHFFFAOYSA-N -1 2 340.426 3.074 20 0 EGADLM Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])c(C)cc2C)s1 ZINC000564030346 316103933 /nfs/dbraw/zinc/10/39/33/316103933.db2.gz JCPYHFQDLZHHHY-UHFFFAOYSA-N -1 2 339.438 3.481 20 0 EGADLM O=C([O-])c1csc(S(=O)(=O)Nc2cccc3ccccc32)c1 ZINC000013299955 453458325 /nfs/dbraw/zinc/45/83/25/453458325.db2.gz FNTFDDBLVPZNPN-UHFFFAOYSA-N -1 2 333.390 3.400 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2cc(C)cc(F)c2)sc1C(=O)[O-] ZINC000091509374 454442995 /nfs/dbraw/zinc/44/29/95/454442995.db2.gz ZZSOBTPEYUKEOW-UHFFFAOYSA-N -1 2 329.374 3.003 20 0 EGADLM Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCc3c(cccc3C(C)C)C2)on1 ZINC000355375911 457366416 /nfs/dbraw/zinc/36/64/16/457366416.db2.gz MNVMWVIDXPZUMZ-AWEZNQCLSA-N -1 2 327.428 3.492 20 0 EGADLM CC(C)c1ccc(C(=O)N=c2nc(-c3cccnc3)[n-]s2)c(O)c1 ZINC000436673381 458357955 /nfs/dbraw/zinc/35/79/55/458357955.db2.gz JPKMRKXEBFJYCE-UHFFFAOYSA-N -1 2 340.408 3.103 20 0 EGADLM CCOc1cc(C[N@H+]([C@@H](C)C(=O)OC)C2CCC2)cc(Cl)c1O ZINC000459512391 458395440 /nfs/dbraw/zinc/39/54/40/458395440.db2.gz DSGWNUPBUMTFGH-NSHDSACASA-N -1 2 341.835 3.360 20 0 EGADLM CC(C)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000481446916 459255310 /nfs/dbraw/zinc/25/53/10/459255310.db2.gz BAXOTZPFRVVYHA-UHFFFAOYSA-N -1 2 335.381 3.015 20 0 EGADLM CO[C@H](CS(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1O)C(C)C ZINC000647129611 461513899 /nfs/dbraw/zinc/51/38/99/461513899.db2.gz NHJCFVBTGUFQFQ-LLVKDONJSA-N -1 2 342.244 3.112 20 0 EGADLM CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@H]2c2ccc(OC)c(F)c2)n1 ZINC000661659490 462352748 /nfs/dbraw/zinc/35/27/48/462352748.db2.gz ZXMWJOMULDHFHX-HNNXBMFYSA-N -1 2 331.391 3.229 20 0 EGADLM CC1N=NC(C(=O)Nc2c(O)c(Cl)cc(Cl)c2Cl)=C1[O-] ZINC000677934891 549360611 /nfs/dbraw/zinc/36/06/11/549360611.db2.gz SEMNCMTZDBBXIY-UHFFFAOYSA-N -1 2 336.562 3.342 20 0 EGADLM CSCc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000738194930 576298922 /nfs/dbraw/zinc/29/89/22/576298922.db2.gz MDDBCCVHKJPVSQ-UHFFFAOYSA-N -1 2 343.451 3.110 20 0 EGADLM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)s1 ZINC000035426993 601357239 /nfs/dbraw/zinc/35/72/39/601357239.db2.gz QKGZZVKXDIRRLR-UHFFFAOYSA-N -1 2 335.765 3.040 20 0 EGADLM O=C([O-])C[C@@H](NC(=O)c1cccc(Cl)c1O)c1cccs1 ZINC000833772520 605231741 /nfs/dbraw/zinc/23/17/41/605231741.db2.gz BFECDAHKZBHMHX-SNVBAGLBSA-N -1 2 325.773 3.053 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2ccc(C)c(C(=O)[O-])c2C)sc1C ZINC000871775213 1296528006 /nfs/dbraw/zinc/52/80/06/1296528006.db2.gz JRZGDXZDXQQXQH-UHFFFAOYSA-N -1 2 339.438 3.481 20 0 EGADLM Cc1cc(F)c(S(=O)(=O)Nc2cccc3cc[nH]c32)cc1C(=O)[O-] ZINC000775296983 1303936185 /nfs/dbraw/zinc/93/61/85/1303936185.db2.gz GTUQFFWRUIQBNX-UHFFFAOYSA-N -1 2 348.355 3.114 20 0 EGADLM O=C1N=NC([C@@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)s3)C2)O1 ZINC001326503034 1388222606 /nfs/dbraw/zinc/22/26/06/1388222606.db2.gz DKSYMUUILAMLIG-CYBMUJFWSA-N -1 2 342.424 3.278 20 0 EGADLM O=C([O-])c1cc(NC(=O)c2c(O)cc(Cl)cc2Cl)ccc1O ZINC001574790001 957803881 /nfs/dbraw/zinc/80/38/81/957803881.db2.gz NPHKLWACSDPTHG-UHFFFAOYSA-N -1 2 342.134 3.355 20 0 EGADLM CC(C)(C)[C@@H](C(=O)[O-])C(=O)NOCc1ccc(C(F)(F)F)cc1 ZINC001588634288 959636376 /nfs/dbraw/zinc/63/63/76/959636376.db2.gz OCHDMOWJXJGCTC-LLVKDONJSA-N -1 2 333.306 3.000 20 0 EGADLM CCc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)cc1C ZINC000313912191 963690096 /nfs/dbraw/zinc/69/00/96/963690096.db2.gz WDHOOWDUUVVMHD-UHFFFAOYSA-N -1 2 325.411 3.118 20 0 EGADLM CSc1ccc(C)c(NS(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC001599812599 988363540 /nfs/dbraw/zinc/36/35/40/988363540.db2.gz NQUKTVPDQWIHPW-UHFFFAOYSA-N -1 2 343.451 3.277 20 0 EGADLM Cc1cc(NS(=O)(=O)c2ccc(Cl)s2)sc1C(=O)[O-] ZINC000037374415 213141374 /nfs/dbraw/zinc/14/13/74/213141374.db2.gz HQAQUPNVANTMQU-UHFFFAOYSA-N -1 2 337.831 3.270 20 0 EGADLM Cc1cc(C)c(S(=O)(=O)Nc2cccc(C)c2C(=O)[O-])s1 ZINC000314665908 154156367 /nfs/dbraw/zinc/15/63/67/154156367.db2.gz CCGCFGNSVJCFQP-UHFFFAOYSA-N -1 2 325.411 3.172 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)sc1C ZINC000091019223 454363249 /nfs/dbraw/zinc/36/32/49/454363249.db2.gz OBTJJOSPLYDUKW-UHFFFAOYSA-N -1 2 329.374 3.003 20 0 EGADLM COc1cccc(-c2cc(C(=O)Nc3cccc(O)c3F)[nH]n2)c1 ZINC000128445431 455056656 /nfs/dbraw/zinc/05/66/56/455056656.db2.gz XIRJGYHTDUJLSW-UHFFFAOYSA-N -1 2 327.315 3.182 20 0 EGADLM Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1C(=O)[O-] ZINC000340739838 456659547 /nfs/dbraw/zinc/65/95/47/456659547.db2.gz MRNCKRQZOKDIQD-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM Cc1ccc(NS(=O)(=O)c2c(F)cccc2Cl)c(C(=O)[O-])c1 ZINC000463525048 458709591 /nfs/dbraw/zinc/70/95/91/458709591.db2.gz SVKQRPFORXCASY-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1c(F)ccc(O)c1F ZINC000560523835 459366527 /nfs/dbraw/zinc/36/65/27/459366527.db2.gz DQXTYHHDZCMALX-UHFFFAOYSA-N -1 2 345.349 3.395 20 0 EGADLM O=C([O-])c1cccc2c1CCCN2Cc1nc(=O)c2sccc2[nH]1 ZINC000324323556 600085492 /nfs/dbraw/zinc/08/54/92/600085492.db2.gz VEUPFEAOGFTOFX-UHFFFAOYSA-N -1 2 341.392 3.048 20 0 EGADLM Cc1cc2cccnc2c(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC000832903488 602115906 /nfs/dbraw/zinc/11/59/06/602115906.db2.gz ITHGRABKKUVSPS-UHFFFAOYSA-N -1 2 348.405 3.104 20 0 EGADLM CCc1cc2c(C[N@@H+]3CCO[C@@](C)(CC)C3)cc(=O)oc2cc1O ZINC000135608998 1293799776 /nfs/dbraw/zinc/79/97/76/1293799776.db2.gz HMTJPKZEPQEHPO-IBGZPJMESA-N -1 2 331.412 3.062 20 0 EGADLM Cc1cc(F)cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)c1 ZINC000770476361 1303274563 /nfs/dbraw/zinc/27/45/63/1303274563.db2.gz DRMXAWYQTWFWFM-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM O=C(Nc1cc(F)cc(Cl)c1O)c1n[n-]c2ccccc2c1=O ZINC000771510386 1303414939 /nfs/dbraw/zinc/41/49/39/1303414939.db2.gz ILSKTORGMWGGQT-UHFFFAOYSA-N -1 2 333.706 3.086 20 0 EGADLM O=C(NC[C@H]1CCCCC[N@@H+]1Cc1nccs1)c1ccccc1O ZINC000968756104 1336039716 /nfs/dbraw/zinc/03/97/16/1336039716.db2.gz MHDJGECBVUUJEX-CQSZACIVSA-N -1 2 345.468 3.023 20 0 EGADLM CCc1ccc(S(=O)(=O)Nc2scc(C)c2C(=O)[O-])cc1 ZINC001597562581 988307751 /nfs/dbraw/zinc/30/77/51/988307751.db2.gz JBCMPJNUZSONHX-UHFFFAOYSA-N -1 2 325.411 3.118 20 0 EGADLM CCc1cccc(S(=O)(=O)Nc2scc(C)c2C(=O)[O-])c1 ZINC001597601319 988457883 /nfs/dbraw/zinc/45/78/83/988457883.db2.gz VTDKAOQJVJYXIZ-UHFFFAOYSA-N -1 2 325.411 3.118 20 0 EGADLM CCc1ccccc1NS(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000037225816 213136444 /nfs/dbraw/zinc/13/64/44/213136444.db2.gz YGEKUOMSSDAQNC-UHFFFAOYSA-N -1 2 325.411 3.118 20 0 EGADLM O=C([O-])c1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1Cl ZINC000314592545 154155253 /nfs/dbraw/zinc/15/52/53/154155253.db2.gz BJPIMQQANUJJIJ-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM Cc1ccc(C)c(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1 ZINC000156237157 307829276 /nfs/dbraw/zinc/82/92/76/307829276.db2.gz XIDSSYFFAWUDEK-UHFFFAOYSA-N -1 2 337.372 3.250 20 0 EGADLM Cc1cccc2c(=O)c(C(=O)N3CCCO[C@H](C(C)C)C3)c[nH]c12 ZINC000295506148 308333897 /nfs/dbraw/zinc/33/38/97/308333897.db2.gz FBJICGZFDBPZNI-INIZCTEOSA-N -1 2 328.412 3.136 20 0 EGADLM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc(F)c1F ZINC000531125839 313629961 /nfs/dbraw/zinc/62/99/61/313629961.db2.gz OXVNIDYGKBLUHO-UHFFFAOYSA-N -1 2 341.335 3.026 20 0 EGADLM O=C([O-])c1cc(Cl)ccc1NS(=O)(=O)c1cccc(F)c1F ZINC000542727645 314572223 /nfs/dbraw/zinc/57/22/23/314572223.db2.gz DWYQGEQAGOEPAK-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM CCc1cc(=O)[nH]c(C[N@H+](C)Cc2ccc(Br)s2)n1 ZINC000177505625 454871371 /nfs/dbraw/zinc/87/13/71/454871371.db2.gz ILGFLBGZYQGEAT-UHFFFAOYSA-N -1 2 342.262 3.201 20 0 EGADLM O=C([O-])c1ccc(NS(=O)(=O)c2cccc(F)c2F)cc1Cl ZINC000357543752 457587513 /nfs/dbraw/zinc/58/75/13/457587513.db2.gz MQPVLKNQHGENIV-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM CCOc1cc(C[N@H+]([C@H](C)C(=O)OC)C2CCC2)cc(Cl)c1O ZINC000459511536 458395939 /nfs/dbraw/zinc/39/59/39/458395939.db2.gz DSGWNUPBUMTFGH-LLVKDONJSA-N -1 2 341.835 3.360 20 0 EGADLM O=C([O-])[C@H]1CCCN1C(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000833772428 604702274 /nfs/dbraw/zinc/70/22/74/604702274.db2.gz ICPIIOXWORRJSN-OAHLLOKOSA-N -1 2 345.782 3.402 20 0 EGADLM CC(C)(C(=O)[O-])[C@H](NC(=O)c1c(O)cc(F)cc1F)c1ccccc1 ZINC000826102791 604708220 /nfs/dbraw/zinc/70/82/20/604708220.db2.gz IPZUVOSTKZYRHT-OAHLLOKOSA-N -1 2 349.333 3.252 20 0 EGADLM Cc1cc(Cl)ccc1S(=O)(=O)Nc1sccc1C(=O)[O-] ZINC000833745049 605022627 /nfs/dbraw/zinc/02/26/27/605022627.db2.gz ZZMIUZRANKBPPM-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cccc(Cl)c2O)C1 ZINC000833417015 605271589 /nfs/dbraw/zinc/27/15/89/605271589.db2.gz KDYOZGHMXHGATN-SNVBAGLBSA-N -1 2 325.792 3.009 20 0 EGADLM COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)Cc1cccc(C)c1O ZINC000180156018 1294864810 /nfs/dbraw/zinc/86/48/10/1294864810.db2.gz TUXKFUJRRXIGFE-UHFFFAOYSA-N -1 2 349.814 3.235 20 0 EGADLM CC(C)c1cc(NCCNC(=O)c2ccccc2O)nc(C(C)C)[nH+]1 ZINC001093478837 1361627846 /nfs/dbraw/zinc/62/78/46/1361627846.db2.gz JMCYSVBIYOXSEK-UHFFFAOYSA-N -1 2 342.443 3.271 20 0 EGADLM O=S(=O)(Nc1ccc(Cl)cc1[S-])c1ccc(Cl)cn1 ZINC001196245697 1368575365 /nfs/dbraw/zinc/57/53/65/1368575365.db2.gz QOXNGVFOULFEQI-UHFFFAOYSA-N -1 2 335.237 3.478 20 0 EGADLM CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC001197166998 1368758211 /nfs/dbraw/zinc/75/82/11/1368758211.db2.gz GJBDODLJLRWNNK-ZFWWWQNUSA-N -1 2 332.341 3.420 20 0 EGADLM COc1cccnc1O[C@@H]1CC[N@H+](Cc2ccc(Cl)c(O)c2)C1 ZINC001231735321 1376310844 /nfs/dbraw/zinc/31/08/44/1376310844.db2.gz NGWMYGRBRKWIGY-CYBMUJFWSA-N -1 2 334.803 3.103 20 0 EGADLM Cc1csc(C(=O)[O-])c1NS(=O)(=O)c1cccc(C)c1F ZINC000313216957 963626293 /nfs/dbraw/zinc/62/62/93/963626293.db2.gz LCTWOYNTAOKIGU-UHFFFAOYSA-N -1 2 329.374 3.003 20 0 EGADLM O=C([O-])[C@H]1CN(C(=O)c2cc(F)cc(Cl)c2O)Cc2ccccc21 ZINC001606041854 973148017 /nfs/dbraw/zinc/14/80/17/973148017.db2.gz ZJPJZCVRLFJMKV-ZDUSSCGKSA-N -1 2 349.745 3.009 20 0 EGADLM CC(C)c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000360512468 167346332 /nfs/dbraw/zinc/34/63/32/167346332.db2.gz CFWFYTLQLVMPAF-UHFFFAOYSA-N -1 2 335.381 3.015 20 0 EGADLM COc1ccc(C[N@H+](C)Cc2ccco2)c(Br)c1O ZINC000273708262 267087758 /nfs/dbraw/zinc/08/77/58/267087758.db2.gz FNPIPGAZGLKIMH-UHFFFAOYSA-N -1 2 326.190 3.388 20 0 EGADLM Cc1cc2cc[nH]c2cc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000436154737 309748252 /nfs/dbraw/zinc/74/82/52/309748252.db2.gz OCCXASLTCMBBQO-UHFFFAOYSA-N -1 2 336.394 3.037 20 0 EGADLM O=C([O-])C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)c1nc2ccccc2o1 ZINC000005110251 452838800 /nfs/dbraw/zinc/83/88/00/452838800.db2.gz LYVIWVLGSAMBAL-YRNVUSSQSA-N -1 2 340.291 3.457 20 0 EGADLM O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1cncc(O)c1 ZINC000600925432 460646781 /nfs/dbraw/zinc/64/67/81/460646781.db2.gz BLQYEAYXSXFOOS-QGZVFWFLSA-N -1 2 345.830 3.008 20 0 EGADLM Cc1ccsc1S(=O)(=O)Nc1ccc(CCCC(=O)[O-])cc1 ZINC000340181544 456295414 /nfs/dbraw/zinc/29/54/14/456295414.db2.gz PXVKNUYOIFJABR-UHFFFAOYSA-N -1 2 339.438 3.265 20 0 EGADLM C[C@H]1[C@H](NC(=O)c2cc(F)c(O)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000291796894 456760368 /nfs/dbraw/zinc/76/03/68/456760368.db2.gz PIOSHZYDIQCSMJ-YVEFUNNKSA-N -1 2 346.377 3.063 20 0 EGADLM Cc1cc(C)c(C(=O)[O-])c(NS(=O)(=O)c2c(F)cccc2F)c1 ZINC000356483954 457014609 /nfs/dbraw/zinc/01/46/09/457014609.db2.gz RPVSIXHGTDCIHP-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM Cn1c2ccc(NC(=O)c3cc(C(F)(F)F)[nH]n3)cc2[nH+]c1C1CC1 ZINC000339348107 457061776 /nfs/dbraw/zinc/06/17/76/457061776.db2.gz ZLZJQONAYBAYJT-UHFFFAOYSA-N -1 2 349.316 3.445 20 0 EGADLM Cc1ccsc1S(=O)(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000356726531 457136793 /nfs/dbraw/zinc/13/67/93/457136793.db2.gz FYGATQNVLCIDHI-UHFFFAOYSA-N -1 2 336.394 3.037 20 0 EGADLM O=c1cc(C[N@@H+]2CCO[C@H](c3ccco3)C2)nc(-c2ccccc2)[nH]1 ZINC000459351649 458339782 /nfs/dbraw/zinc/33/97/82/458339782.db2.gz XFWYRLMEYQYAHM-KRWDZBQOSA-N -1 2 337.379 3.016 20 0 EGADLM Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000373087371 458394237 /nfs/dbraw/zinc/39/42/37/458394237.db2.gz ISTSRDOIMZDYQO-UHFFFAOYSA-N -1 2 348.815 3.234 20 0 EGADLM C[C@@H]1CCC[C@H](OCC(=O)Nc2nc(-c3ccccc3F)n[nH]2)C1 ZINC000602936585 460192465 /nfs/dbraw/zinc/19/24/65/460192465.db2.gz KHIUCUKILPBERW-NEPJUHHUSA-N -1 2 332.379 3.145 20 0 EGADLM CO[C@@H](CS(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1O)C(C)C ZINC000647129612 461513382 /nfs/dbraw/zinc/51/33/82/461513382.db2.gz NHJCFVBTGUFQFQ-NSHDSACASA-N -1 2 342.244 3.112 20 0 EGADLM CC(C)CN(CCC(=O)[O-])C(=O)c1ccc(Cl)c(Cl)c1O ZINC000736433072 575958612 /nfs/dbraw/zinc/95/86/12/575958612.db2.gz UEVBLKRMGYGTFY-UHFFFAOYSA-N -1 2 334.199 3.272 20 0 EGADLM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cccc(Cl)c1O)c1ccccc1 ZINC000833413319 605255136 /nfs/dbraw/zinc/25/51/36/605255136.db2.gz ZCRVCPBKRJJMEC-QMTHXVAHSA-N -1 2 333.771 3.237 20 0 EGADLM C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H](NC(=O)c2ncccc2O)C1 ZINC001010725823 1337247860 /nfs/dbraw/zinc/24/78/60/1337247860.db2.gz IMSDMMLHPWXALM-DOMZBBRYSA-N -1 2 345.830 3.006 20 0 EGADLM Cc1cnc(F)c([C@H](C)Oc2ccc(O[P@@](=O)([O-])O)cc2)c1 ZINC001234332055 1376813109 /nfs/dbraw/zinc/81/31/09/1376813109.db2.gz BBRXCXYGZGBOAQ-JTQLQIEISA-N -1 2 327.248 3.141 20 0 EGADLM Cc1cnc(F)c([C@H](C)Oc2ccc(O[P@](=O)([O-])O)cc2)c1 ZINC001234332055 1376813115 /nfs/dbraw/zinc/81/31/15/1376813115.db2.gz BBRXCXYGZGBOAQ-JTQLQIEISA-N -1 2 327.248 3.141 20 0 EGADLM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cccc(Cl)c1O ZINC001597025721 986432145 /nfs/dbraw/zinc/43/21/45/986432145.db2.gz MHBFQRIHVZMHMX-UHFFFAOYSA-N -1 2 335.743 3.395 20 0 EGADLM CC(C)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000015243432 211809324 /nfs/dbraw/zinc/80/93/24/211809324.db2.gz PCPKYXQTSDWZNC-UHFFFAOYSA-N -1 2 325.411 3.371 20 0 EGADLM CS[C@H](C)CCC(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000359441126 167157196 /nfs/dbraw/zinc/15/71/96/167157196.db2.gz FPAIRNRSQLJMLM-MRVPVSSYSA-N -1 2 326.372 3.220 20 0 EGADLM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1F ZINC000551468022 315155454 /nfs/dbraw/zinc/15/54/54/315155454.db2.gz SRRHXTNTXJZQRA-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM CCc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC000049044573 454530169 /nfs/dbraw/zinc/53/01/69/454530169.db2.gz YYFIUWTZBQHOFU-UHFFFAOYSA-N -1 2 345.829 3.463 20 0 EGADLM CCCC[C@H](Sc1ccc(=NCc2ccccc2F)[nH]n1)C(=O)[O-] ZINC000570741325 317101244 /nfs/dbraw/zinc/10/12/44/317101244.db2.gz ZIIOAZNJCSCKSV-AWEZNQCLSA-N -1 2 349.431 3.385 20 0 EGADLM CCCc1ccc(NS(=O)(=O)c2cccs2)c(C(=O)[O-])c1 ZINC000058356613 454192029 /nfs/dbraw/zinc/19/20/29/454192029.db2.gz ZNNASNLXCQHAQC-UHFFFAOYSA-N -1 2 325.411 3.200 20 0 EGADLM Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cc(O)cc(F)c2)cc1F ZINC000185490592 455565438 /nfs/dbraw/zinc/56/54/38/455565438.db2.gz ANVXURLNJMAODA-UHFFFAOYSA-N -1 2 329.350 3.454 20 0 EGADLM COCC[N@@H+](Cc1ccco1)Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000459313105 458326210 /nfs/dbraw/zinc/32/62/10/458326210.db2.gz OOPOPCVJBRPTCS-UHFFFAOYSA-N -1 2 339.395 3.091 20 0 EGADLM O=C1N=NC([C@H]2CCC[N@H+](CCSc3cccc(Cl)c3)C2)O1 ZINC000660464932 461795488 /nfs/dbraw/zinc/79/54/88/461795488.db2.gz UYZPDAVVCYUEOV-NSHDSACASA-N -1 2 339.848 3.400 20 0 EGADLM O=C([O-])c1cc2ccccc2cc1NC(=O)c1ccc2[nH]nnc2c1 ZINC000392289951 599849308 /nfs/dbraw/zinc/84/93/08/599849308.db2.gz JAKZMMJUJYTXRH-UHFFFAOYSA-N -1 2 332.319 3.062 20 0 EGADLM O=C([O-])C[C@H](NC(=O)c1cc(F)cc(Cl)c1O)c1cccs1 ZINC000833198936 601387274 /nfs/dbraw/zinc/38/72/74/601387274.db2.gz MVDRRSOMHSFDKR-JTQLQIEISA-N -1 2 343.763 3.192 20 0 EGADLM O=C([O-])C[C@H](NC(=O)c1cc(F)cc(Cl)c1O)c1ccccc1 ZINC000833199431 604922085 /nfs/dbraw/zinc/92/20/85/604922085.db2.gz YTAPCOAICADQNV-ZDUSSCGKSA-N -1 2 337.734 3.131 20 0 EGADLM Cc1sc(NS(=O)(=O)c2ccccc2F)c(C(=O)[O-])c1C ZINC000106792308 605022261 /nfs/dbraw/zinc/02/22/61/605022261.db2.gz LDCWXBNNQWGBAI-UHFFFAOYSA-N -1 2 329.374 3.003 20 0 EGADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccc3ccccc3c2)c1 ZINC000751201665 1299523958 /nfs/dbraw/zinc/52/39/58/1299523958.db2.gz BEBYVOVEGBFDMH-UHFFFAOYSA-N -1 2 343.360 3.044 20 0 EGADLM CCCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC000314327641 963742108 /nfs/dbraw/zinc/74/21/08/963742108.db2.gz CRESNYBUYAJKLS-UHFFFAOYSA-N -1 2 341.410 3.036 20 0 EGADLM O=C([O-])c1sc2ccccc2c1S(=O)(=O)Nc1ccccc1O ZINC000833347686 979167537 /nfs/dbraw/zinc/16/75/37/979167537.db2.gz PTAXJEUNMZTGLB-UHFFFAOYSA-N -1 2 349.389 3.106 20 0 EGADLM CCC1CCC(NC(=O)c2cccc(Cl)c2O)(C(=O)[O-])CC1 ZINC001595424650 981043044 /nfs/dbraw/zinc/04/30/44/981043044.db2.gz IWDJXNBUXFKISM-UHFFFAOYSA-N -1 2 325.792 3.199 20 0 EGADLM CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccs1 ZINC000362194928 157069044 /nfs/dbraw/zinc/06/90/44/157069044.db2.gz FYYBCBOGIIYQKE-UHFFFAOYSA-N -1 2 341.410 3.034 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)[O-])sc1Cl ZINC000231806527 266205064 /nfs/dbraw/zinc/20/50/64/266205064.db2.gz FZCWEKNDZYNUTO-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])s1 ZINC000013087936 453444591 /nfs/dbraw/zinc/44/45/91/453444591.db2.gz HRASNMIGXMLCRF-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2ccc(F)c(C)c2)sc1C(=O)[O-] ZINC000061117834 454328026 /nfs/dbraw/zinc/32/80/26/454328026.db2.gz VLTFQLKUYCAQOZ-UHFFFAOYSA-N -1 2 329.374 3.003 20 0 EGADLM Cc1ccc(NS(=O)(=O)c2cc(F)ccc2F)c(C[NH+](C)C)c1 ZINC000114054085 454943730 /nfs/dbraw/zinc/94/37/30/454943730.db2.gz NRNYBEPXSFEVPA-UHFFFAOYSA-N -1 2 340.395 3.136 20 0 EGADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000156245616 455097258 /nfs/dbraw/zinc/09/72/58/455097258.db2.gz ADSOFILBRDYEBW-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000156247732 455097431 /nfs/dbraw/zinc/09/74/31/455097431.db2.gz KOBZLXARUFUFJA-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM CC[N@@H+](Cc1cc(=O)oc2cc(O)c(Cl)cc12)C[C@H]1CCCO1 ZINC000284877146 455756342 /nfs/dbraw/zinc/75/63/42/455756342.db2.gz FDPPMJZPIPLNGQ-GFCCVEGCSA-N -1 2 337.803 3.153 20 0 EGADLM C[N@@H+](Cc1cc(=O)oc2cc(O)c(Cl)cc12)C[C@H]1CCCOC1 ZINC000284944470 455765343 /nfs/dbraw/zinc/76/53/43/455765343.db2.gz IWLRFSYUTPNSHR-LLVKDONJSA-N -1 2 337.803 3.010 20 0 EGADLM COC(=O)c1sc2[nH]c(C[N@@H+]3C[C@H](C)CC[C@H]3C)nc(=O)c2c1C ZINC000253550018 455852667 /nfs/dbraw/zinc/85/26/67/455852667.db2.gz MFMUWNQOTBBSRB-NXEZZACHSA-N -1 2 349.456 3.112 20 0 EGADLM CC(C)(C)CC(=O)NCC(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000271272516 456199737 /nfs/dbraw/zinc/19/97/37/456199737.db2.gz IYTCKOYKOGYPMG-UHFFFAOYSA-N -1 2 333.215 3.190 20 0 EGADLM C[C@@H]1[C@@H](NC(=O)c2cc(F)c(O)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000291796886 456760689 /nfs/dbraw/zinc/76/06/89/456760689.db2.gz PIOSHZYDIQCSMJ-PXAZEXFGSA-N -1 2 346.377 3.063 20 0 EGADLM Cc1ccccc1[C@@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)[C@@H](C)CO1 ZINC000459339823 458335113 /nfs/dbraw/zinc/33/51/13/458335113.db2.gz MFCKOVUHFLMHCL-KSSFIOAISA-N -1 2 339.439 3.330 20 0 EGADLM CCCC[N@H+]1CCOC[C@@H]1c1nc(-c2ccc(O)c(OCC)c2)no1 ZINC000574511255 459827829 /nfs/dbraw/zinc/82/78/29/459827829.db2.gz DVOYXBAJNYPTJT-CQSZACIVSA-N -1 2 347.415 3.014 20 0 EGADLM CCc1ccc(NS(=O)(=O)c2sccc2C)c(C(=O)[O-])c1 ZINC000607615729 460874354 /nfs/dbraw/zinc/87/43/54/460874354.db2.gz UGNMNHMWAZNCDG-UHFFFAOYSA-N -1 2 325.411 3.118 20 0 EGADLM Cc1ccc2cccc(NS(=O)(=O)c3ccsc3C(=O)[O-])c2n1 ZINC000320566465 600098972 /nfs/dbraw/zinc/09/89/72/600098972.db2.gz PEFMPYGNMPHXJL-UHFFFAOYSA-N -1 2 348.405 3.104 20 0 EGADLM O=C([O-])C[C@H](NC(=O)c1cccc(Cl)c1O)c1cccs1 ZINC000833772519 605231881 /nfs/dbraw/zinc/23/18/81/605231881.db2.gz BFECDAHKZBHMHX-JTQLQIEISA-N -1 2 325.773 3.053 20 0 EGADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccsc2)c1Cl ZINC000156342489 1294139606 /nfs/dbraw/zinc/13/96/06/1294139606.db2.gz CPZWHKONGCZWFP-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM C=Cc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195236459 1368406149 /nfs/dbraw/zinc/40/61/49/1368406149.db2.gz WQZAYJMZWFYOEP-UHFFFAOYSA-N -1 2 339.319 3.107 20 0 EGADLM O=S(=O)(CCc1cccc2ccccc21)Nc1ncc(F)cc1O ZINC001187616435 1388130794 /nfs/dbraw/zinc/13/07/94/1388130794.db2.gz ARTSEXBQKYQWCA-UHFFFAOYSA-N -1 2 346.383 3.064 20 0 EGADLM O=S(=O)(CCc1cccc2ccccc21)[N-]c1ncc(F)cc1O ZINC001187616435 1388130798 /nfs/dbraw/zinc/13/07/98/1388130798.db2.gz ARTSEXBQKYQWCA-UHFFFAOYSA-N -1 2 346.383 3.064 20 0 EGADLM CC(C)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000038058495 957352534 /nfs/dbraw/zinc/35/25/34/957352534.db2.gz NQNKRQNYNBXIHJ-UHFFFAOYSA-N -1 2 325.411 3.371 20 0 EGADLM CSc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1 ZINC000037225820 213136085 /nfs/dbraw/zinc/13/60/85/213136085.db2.gz JVURCEGCUGDTSI-UHFFFAOYSA-N -1 2 343.451 3.277 20 0 EGADLM Cc1ccc(F)c(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])c1 ZINC000315596854 154156812 /nfs/dbraw/zinc/15/68/12/154156812.db2.gz SOISYBNXBGZVMC-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM Cc1cccc(NS(=O)(=O)c2cccc(Cl)c2F)c1C(=O)[O-] ZINC000316049060 154158693 /nfs/dbraw/zinc/15/86/93/154158693.db2.gz WIENJXQVIJDIKX-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)c1occ2c1CCOC2 ZINC000367592386 168246435 /nfs/dbraw/zinc/24/64/35/168246435.db2.gz CMRFGFRCWGAQBJ-UHFFFAOYSA-N -1 2 344.758 3.043 20 0 EGADLM CC[N@@H+](Cc1ccc(OC)c(O)c1Br)C[C@H]1CCCO1 ZINC000273708333 267087420 /nfs/dbraw/zinc/08/74/20/267087420.db2.gz FPEXTWMCKMZPFZ-GFCCVEGCSA-N -1 2 344.249 3.164 20 0 EGADLM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(C)s1 ZINC000013278953 453455536 /nfs/dbraw/zinc/45/55/36/453455536.db2.gz YLKLQVQZCQACCH-UHFFFAOYSA-N -1 2 343.451 3.277 20 0 EGADLM O=c1cc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)nc(-c2ccccc2)[nH]1 ZINC000578722745 325008573 /nfs/dbraw/zinc/00/85/73/325008573.db2.gz WDJQAHBBGNFORL-QGZVFWFLSA-N -1 2 335.411 3.300 20 0 EGADLM O=c1[nH]nc([C@H]2CCCC[N@@H+]2CC2CCC(C(F)(F)F)CC2)[nH]1 ZINC000333663148 456246755 /nfs/dbraw/zinc/24/67/55/456246755.db2.gz HIQDCQJWNYSYTP-HTAVTVPLSA-N -1 2 332.370 3.406 20 0 EGADLM O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cnc2ccccc2c1O ZINC000623811206 460725190 /nfs/dbraw/zinc/72/51/90/460725190.db2.gz LGLSDDWXCAKICD-UHFFFAOYSA-N -1 2 330.347 3.171 20 0 EGADLM OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cccc(O)c1Br ZINC000459344224 458337036 /nfs/dbraw/zinc/33/70/36/458337036.db2.gz HXJSLJNNCKBCEV-OAHLLOKOSA-N -1 2 348.240 3.246 20 0 EGADLM Oc1ccc(F)c(C[NH2+]Cc2ccc(OCC(F)(F)F)nc2)c1F ZINC000560470230 459352934 /nfs/dbraw/zinc/35/29/34/459352934.db2.gz UTDKPSPYAMRQHE-UHFFFAOYSA-N -1 2 348.271 3.296 20 0 EGADLM CCCC[N@H+](Cc1nc2c(cnn2C)c(=O)[nH]1)[C@@H](C)c1ccc(C)o1 ZINC000621318625 460985507 /nfs/dbraw/zinc/98/55/07/460985507.db2.gz TUPLSLORLJMYIX-ZDUSSCGKSA-N -1 2 343.431 3.334 20 0 EGADLM O=C([O-])c1ccc(NS(=O)(=O)c2cc3c(s2)CCCC3)cc1 ZINC001187208444 1388071873 /nfs/dbraw/zinc/07/18/73/1388071873.db2.gz BFCLBWXSTYUJCF-UHFFFAOYSA-N -1 2 337.422 3.126 20 0 EGADLM Cc1nccnc1O[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(O)c2)C1 ZINC001231735621 1376309338 /nfs/dbraw/zinc/30/93/38/1376309338.db2.gz RHOBSDYUFMWWMS-CQSZACIVSA-N -1 2 333.819 3.187 20 0 EGADLM C[C@H](Oc1ccc(O[P@@](=O)([O-])O)cc1)c1cccc(N(C)C)c1 ZINC001234332277 1376813122 /nfs/dbraw/zinc/81/31/22/1376813122.db2.gz NRRWZEAFONKJTM-LBPRGKRZSA-N -1 2 337.312 3.364 20 0 EGADLM C[C@H](Oc1ccc(O[P@](=O)([O-])O)cc1)c1cccc(N(C)C)c1 ZINC001234332277 1376813126 /nfs/dbraw/zinc/81/31/26/1376813126.db2.gz NRRWZEAFONKJTM-LBPRGKRZSA-N -1 2 337.312 3.364 20 0 EGADLM C[NH+](C)Cc1ccsc1C(=O)Nc1ccc(-c2cc(=O)[nH][nH]2)cc1 ZINC001141538930 1378341455 /nfs/dbraw/zinc/34/14/55/1378341455.db2.gz YWEDHBBNHVWMFT-UHFFFAOYSA-N -1 2 342.424 3.158 20 0 EGADLM O=C([O-])[C@@H]1C[C@H](NC(=O)c2cccc(Cl)c2O)c2ccccc21 ZINC001594727331 957016717 /nfs/dbraw/zinc/01/67/17/957016717.db2.gz RNCFNWREGBEDSP-OCCSQVGLSA-N -1 2 331.755 3.089 20 0 EGADLM CC(F)(F)c1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC001592943806 980017727 /nfs/dbraw/zinc/01/77/27/980017727.db2.gz FMFSOBRISIAHSK-UHFFFAOYSA-N -1 2 347.364 3.359 20 0 EGADLM O=C([O-])CC[C@@H]1CC[C@H](C(=O)Nc2cc(Cl)c(O)c(Cl)c2)O1 ZINC000911153549 982261989 /nfs/dbraw/zinc/26/19/89/982261989.db2.gz GLHGDWJNRDUZCD-GZMMTYOYSA-N -1 2 348.182 3.050 20 0 EGADLM CC1(C)CCC[C@@](NC(=O)c2cccc(Cl)c2O)(C(=O)[O-])C1 ZINC001593892306 996740579 /nfs/dbraw/zinc/74/05/79/996740579.db2.gz LHYOTCKXWJZPKM-INIZCTEOSA-N -1 2 325.792 3.199 20 0 EGADLM CCc1cccc(C)c1NS(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000045946609 204331942 /nfs/dbraw/zinc/33/19/42/204331942.db2.gz HCAOJWKYRPUWNS-UHFFFAOYSA-N -1 2 339.438 3.426 20 0 EGADLM Cc1coc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)cc12 ZINC000187078961 144151691 /nfs/dbraw/zinc/15/16/91/144151691.db2.gz GRYAWEYOPKOICY-UHFFFAOYSA-N -1 2 337.378 3.302 20 0 EGADLM Cc1cc(C)c(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])s1 ZINC000315151755 154156758 /nfs/dbraw/zinc/15/67/58/154156758.db2.gz GPOMCPBVIPALEN-UHFFFAOYSA-N -1 2 329.374 3.003 20 0 EGADLM CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccsc1 ZINC000349034889 156325151 /nfs/dbraw/zinc/32/51/51/156325151.db2.gz IZNXWEINQATLAL-UHFFFAOYSA-N -1 2 341.410 3.034 20 0 EGADLM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(Cl)s1 ZINC000013464600 453465093 /nfs/dbraw/zinc/46/50/93/453465093.db2.gz WIRIFEFEUNXDNB-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])sc1C ZINC000091015109 454361665 /nfs/dbraw/zinc/36/16/65/454361665.db2.gz NEXPGYKZWOSPPW-UHFFFAOYSA-N -1 2 329.374 3.003 20 0 EGADLM CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2c(F)ccc(O)c2F)C1 ZINC000352923168 456415305 /nfs/dbraw/zinc/41/53/05/456415305.db2.gz GTSMCSIVGLHUDL-GFCCVEGCSA-N -1 2 327.371 3.224 20 0 EGADLM O=C([O-])c1cccc(NS(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000340739501 456659645 /nfs/dbraw/zinc/65/96/45/456659645.db2.gz NVIQBYXTWFUNPZ-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)[nH]cc3C(=O)[O-])c(F)c1 ZINC000347404858 457406022 /nfs/dbraw/zinc/40/60/22/457406022.db2.gz BPLVELPUNNKFSO-UHFFFAOYSA-N -1 2 348.355 3.114 20 0 EGADLM Cc1ccc(C)c(S(=O)(=O)Nc2cccc(F)c2-c2nc[nH]n2)c1 ZINC000447264750 458277802 /nfs/dbraw/zinc/27/78/02/458277802.db2.gz OJYGLSIBYQOPNU-UHFFFAOYSA-N -1 2 346.387 3.028 20 0 EGADLM O=C(N=c1nc(-c2ccccc2)[nH]s1)c1cc(Cl)ccc1[O-] ZINC000436793857 458381493 /nfs/dbraw/zinc/38/14/93/458381493.db2.gz UFVPZEMQOYTAKD-UHFFFAOYSA-N -1 2 331.784 3.238 20 0 EGADLM CCc1ccc(S(=O)(=O)Nc2ccc(CCC(=O)[O-])cc2)s1 ZINC000317421531 599852516 /nfs/dbraw/zinc/85/25/16/599852516.db2.gz OCVLSMYMCVIJAH-UHFFFAOYSA-N -1 2 339.438 3.129 20 0 EGADLM CCc1ccc(S(=O)(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)s1 ZINC000166567060 600637417 /nfs/dbraw/zinc/63/74/17/600637417.db2.gz WUXAZWSPQOGGRA-UHFFFAOYSA-N -1 2 345.829 3.463 20 0 EGADLM O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1ccc(Cl)cc1O ZINC000715698535 1298283425 /nfs/dbraw/zinc/28/34/25/1298283425.db2.gz RLDUYIXXVJGGHB-OAHLLOKOSA-N -1 2 330.815 3.050 20 0 EGADLM O=c1[nH]nc([C@@H]2CCC[N@H+](Cc3ccc4ccc(Cl)cc4n3)C2)o1 ZINC000878550026 1300069300 /nfs/dbraw/zinc/06/93/00/1300069300.db2.gz OERGBCOLFMXLED-GFCCVEGCSA-N -1 2 344.802 3.356 20 0 EGADLM Cc1ccc(S(=O)(=O)Nc2ccc(Cl)s2)cc1C(=O)[O-] ZINC001184668412 1387506442 /nfs/dbraw/zinc/50/64/42/1387506442.db2.gz TZFUAIXJVBTRNL-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM O=C(Nc1ccc2[nH][nH]c(=O)c2c1)c1cc(-c2ccccc2F)n[nH]1 ZINC001188022723 1388217635 /nfs/dbraw/zinc/21/76/35/1388217635.db2.gz QMYXLXKWSFUBSU-UHFFFAOYSA-N -1 2 337.314 3.050 20 0 EGADLM O=[P@@]([O-])(O)c1ccc(NCCc2ccc3ccccc3c2)cc1 ZINC001168736149 1383984978 /nfs/dbraw/zinc/98/49/78/1383984978.db2.gz KTFPMAKZEYLWDZ-UHFFFAOYSA-N -1 2 327.320 3.297 20 0 EGADLM O=[P@]([O-])(O)c1ccc(NCCc2ccc3ccccc3c2)cc1 ZINC001168736149 1383984982 /nfs/dbraw/zinc/98/49/82/1383984982.db2.gz KTFPMAKZEYLWDZ-UHFFFAOYSA-N -1 2 327.320 3.297 20 0 EGADLM Cc1oc(C)c(S(=O)(=O)Nc2cccc(Cl)c2)c1C(=O)[O-] ZINC000037300415 957268164 /nfs/dbraw/zinc/26/81/64/957268164.db2.gz YHAXQPMEWRIYRF-UHFFFAOYSA-N -1 2 329.761 3.049 20 0 EGADLM C[C@H](CN(Cc1ccccc1)C(=O)c1cccc(Cl)c1O)C(=O)[O-] ZINC001592605843 978552401 /nfs/dbraw/zinc/55/24/01/978552401.db2.gz NLKVNQWRDDWARW-GFCCVEGCSA-N -1 2 347.798 3.409 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CCC3)sc1C(=O)[O-] ZINC000045774462 204334345 /nfs/dbraw/zinc/33/43/45/204334345.db2.gz KYMPTTHLRMGUGY-UHFFFAOYSA-N -1 2 337.422 3.044 20 0 EGADLM Cc1cc(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)ccc1O ZINC000354610951 141314575 /nfs/dbraw/zinc/31/45/75/141314575.db2.gz RHCQXJWTYOFMQV-UHFFFAOYSA-N -1 2 344.842 3.312 20 0 EGADLM Cc1ccc2cccc(NS(=O)(=O)c3csc(C(=O)[O-])c3)c2n1 ZINC000320930141 154166752 /nfs/dbraw/zinc/16/67/52/154166752.db2.gz YAZNZYCCFVLLEX-UHFFFAOYSA-N -1 2 348.405 3.104 20 0 EGADLM C[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)C1(c2ccccc2)CCCC1 ZINC000361943943 156951708 /nfs/dbraw/zinc/95/17/08/156951708.db2.gz FDCZORIJOKIPPP-AWEZNQCLSA-N -1 2 338.407 3.410 20 0 EGADLM Cc1cc(NS(=O)(=O)c2c(F)cccc2Cl)ccc1C(=O)[O-] ZINC000125976906 162290370 /nfs/dbraw/zinc/29/03/70/162290370.db2.gz PRVKIYCVCCYBDE-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000013464612 275121036 /nfs/dbraw/zinc/12/10/36/275121036.db2.gz OBAMVACEEYKCNR-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM Cc1cccc2c(=O)c(C(=O)N3CCC[C@H]3[C@@H]3CCCO3)c[nH]c12 ZINC000288395538 276209572 /nfs/dbraw/zinc/20/95/72/276209572.db2.gz LWQLGYWWCFVMFI-HOTGVXAUSA-N -1 2 326.396 3.032 20 0 EGADLM CSc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000342758511 457503248 /nfs/dbraw/zinc/50/32/48/457503248.db2.gz OHGDBFGVORVXLK-UHFFFAOYSA-N -1 2 343.451 3.277 20 0 EGADLM CCc1[nH+]c2ccccc2n1CC(=O)N1CCCc2cccc(O)c21 ZINC000182901503 455187622 /nfs/dbraw/zinc/18/76/22/455187622.db2.gz AAEQGPMHLYXHSC-UHFFFAOYSA-N -1 2 335.407 3.284 20 0 EGADLM Cc1ccc([C@H](C[NH2+]Cc2c(F)ccc(O)c2F)N2CCCC2)o1 ZINC000352782048 456300189 /nfs/dbraw/zinc/30/01/89/456300189.db2.gz BPIFIHDGDSPFDX-HNNXBMFYSA-N -1 2 336.382 3.499 20 0 EGADLM CC(C)(C)c1nc(=NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s[nH]1 ZINC000393629559 457468223 /nfs/dbraw/zinc/46/82/23/457468223.db2.gz GMAOIAJHNOOFQP-HNNXBMFYSA-N -1 2 330.501 3.192 20 0 EGADLM CCOc1cc(C[N@@H+](CC(=O)OC)C2CCCC2)cc(Cl)c1O ZINC000459361490 458343367 /nfs/dbraw/zinc/34/33/67/458343367.db2.gz GNUMQJBFUHDSIR-UHFFFAOYSA-N -1 2 341.835 3.362 20 0 EGADLM CC(C)(C)c1nc(=NCc2ccc(OCCCC(=O)[O-])cc2)s[nH]1 ZINC000519643650 458981293 /nfs/dbraw/zinc/98/12/93/458981293.db2.gz CGFOLQUJLDYNHM-UHFFFAOYSA-N -1 2 349.456 3.113 20 0 EGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3ccoc3c2)c(F)c1 ZINC000442853597 459046489 /nfs/dbraw/zinc/04/64/89/459046489.db2.gz UWIOPTBXEALJFU-UHFFFAOYSA-N -1 2 335.312 3.071 20 0 EGADLM C[C@@H](C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1)c1ccccc1 ZINC000483142444 459343847 /nfs/dbraw/zinc/34/38/47/459343847.db2.gz IIXWANJCGWUNOI-SNVBAGLBSA-N -1 2 328.322 3.492 20 0 EGADLM CC[C@@H](CNC(=O)c1cccc2[nH]nnc21)Oc1ccccc1Cl ZINC000540962913 459411139 /nfs/dbraw/zinc/41/11/39/459411139.db2.gz ZJQALNFZOLXMBE-NSHDSACASA-N -1 2 344.802 3.199 20 0 EGADLM CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2c(O)cc(Cl)cc2Cl)C1 ZINC000617345830 460821365 /nfs/dbraw/zinc/82/13/65/460821365.db2.gz IPYNWMLLHQRWEF-JTQLQIEISA-N -1 2 331.243 3.302 20 0 EGADLM Cc1cc(C)c(-c2cc(=NC(=O)C[C@H](C)n3cc[nH+]c3)[nH][nH]2)cc1C ZINC000653016994 461458851 /nfs/dbraw/zinc/45/88/51/461458851.db2.gz DIMUNEBBQZNFNR-HNNXBMFYSA-N -1 2 337.427 3.210 20 0 EGADLM Cc1cc(NS(=O)(=O)c2ccc3c(c2)CCC3)sc1C(=O)[O-] ZINC000314339395 599875916 /nfs/dbraw/zinc/87/59/16/599875916.db2.gz JYTVBOKHORMRQY-UHFFFAOYSA-N -1 2 337.422 3.044 20 0 EGADLM Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1C ZINC000159892051 1294249279 /nfs/dbraw/zinc/24/92/79/1294249279.db2.gz MVSBVILJEVEUBH-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)c(F)c2)s1 ZINC000038058871 957353655 /nfs/dbraw/zinc/35/36/55/957353655.db2.gz JZKLUZGYRCVEHF-UHFFFAOYSA-N -1 2 335.765 3.040 20 0 EGADLM Cc1cc(NS(=O)(=O)c2ccc(Cl)s2)ccc1C(=O)[O-] ZINC000044750137 204306558 /nfs/dbraw/zinc/30/65/58/204306558.db2.gz UDCAEGCDAFJLNE-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM Cc1cccc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])c1F ZINC000313214614 154152382 /nfs/dbraw/zinc/15/23/82/154152382.db2.gz BQLFUYSPVZKELB-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccccc1F ZINC000362124933 157032378 /nfs/dbraw/zinc/03/23/78/157032378.db2.gz MVHQZAGQHDQNEZ-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000007057383 275117512 /nfs/dbraw/zinc/11/75/12/275117512.db2.gz QXADNBLCEBMPHY-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM Cc1cc(C)c(S(=O)(=O)Nc2ccc(C)cc2C(=O)[O-])s1 ZINC000314827905 308765546 /nfs/dbraw/zinc/76/55/46/308765546.db2.gz XDGAFEMRQXBMJK-UHFFFAOYSA-N -1 2 325.411 3.172 20 0 EGADLM O=C([O-])CCCc1ccc(NS(=O)(=O)c2ccccc2F)cc1 ZINC000134618023 454568944 /nfs/dbraw/zinc/56/89/44/454568944.db2.gz CRYHNZWIMFQWAL-UHFFFAOYSA-N -1 2 337.372 3.034 20 0 EGADLM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C)s1 ZINC000080941169 454653013 /nfs/dbraw/zinc/65/30/13/454653013.db2.gz YPVCFHHEBWHXRC-UHFFFAOYSA-N -1 2 325.411 3.118 20 0 EGADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cccc(F)c2C)c1 ZINC000156350613 455108136 /nfs/dbraw/zinc/10/81/36/455108136.db2.gz CDYZGWXFSCYZOQ-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1c(O)cc(Cl)cc1Cl ZINC000333231142 456182981 /nfs/dbraw/zinc/18/29/81/456182981.db2.gz GRYLEGNDBOCMOO-LLVKDONJSA-N -1 2 343.254 3.446 20 0 EGADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccc(C3CCC3)cc2)c1 ZINC000447271660 458278164 /nfs/dbraw/zinc/27/81/64/458278164.db2.gz SKNUVVFKAYSMMA-UHFFFAOYSA-N -1 2 347.392 3.159 20 0 EGADLM O=C(N=c1nc(Cc2ccccc2)[n-]s1)c1cc(Cl)ccc1O ZINC000436491516 458313967 /nfs/dbraw/zinc/31/39/67/458313967.db2.gz KXXJGCKUOTYMGB-UHFFFAOYSA-N -1 2 345.811 3.162 20 0 EGADLM OC[C@H]1c2ccccc2CC[N@@H+]1Cc1cccc(O)c1Br ZINC000459344223 458337233 /nfs/dbraw/zinc/33/72/33/458337233.db2.gz HXJSLJNNCKBCEV-HNNXBMFYSA-N -1 2 348.240 3.246 20 0 EGADLM C[NH+](C)Cc1cc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)no1 ZINC000436714372 458365677 /nfs/dbraw/zinc/36/56/77/458365677.db2.gz FQYFSOPOKSTTMQ-UHFFFAOYSA-N -1 2 330.171 3.001 20 0 EGADLM CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2c(O)cc(Cl)cc2Cl)C1 ZINC000617345831 460821247 /nfs/dbraw/zinc/82/12/47/460821247.db2.gz IPYNWMLLHQRWEF-SNVBAGLBSA-N -1 2 331.243 3.302 20 0 EGADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1nc2ccccc2s1 ZINC000320494499 599965788 /nfs/dbraw/zinc/96/57/88/599965788.db2.gz VNXXNAHHMQKQSJ-UHFFFAOYSA-N -1 2 348.405 3.104 20 0 EGADLM CCc1cc2c(C[N@H+]3C[C@@H](C)O[C@H](CC)C3)cc(=O)oc2cc1O ZINC000111274533 1293102118 /nfs/dbraw/zinc/10/21/18/1293102118.db2.gz ITXLYUMQTHPCCW-IUODEOHRSA-N -1 2 331.412 3.060 20 0 EGADLM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)cc1F ZINC000749141971 1299153325 /nfs/dbraw/zinc/15/33/25/1299153325.db2.gz KOBIQHPBRTXLPR-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM O=[P@@]([O-])(O)Oc1ccc(O[C@H]2CCCN(c3ccccc3)C2)cc1 ZINC001234331634 1376813549 /nfs/dbraw/zinc/81/35/49/1376813549.db2.gz IKJSJDADOQQJSF-KRWDZBQOSA-N -1 2 349.323 3.206 20 0 EGADLM O=[P@]([O-])(O)Oc1ccc(O[C@H]2CCCN(c3ccccc3)C2)cc1 ZINC001234331634 1376813552 /nfs/dbraw/zinc/81/35/52/1376813552.db2.gz IKJSJDADOQQJSF-KRWDZBQOSA-N -1 2 349.323 3.206 20 0 EGADLM C[C@H]1[C@@H](NC(=O)c2cccc(Cl)c2O)CC[N@@H+]1Cc1ccccc1 ZINC001141775518 1378374413 /nfs/dbraw/zinc/37/44/13/1378374413.db2.gz PXWAKSNDJRZYKO-GUYCJALGSA-N -1 2 344.842 3.438 20 0 EGADLM O=[P@@]([O-])(O)c1ccc(NCCCOc2ccc(Cl)cc2)cc1 ZINC001164236611 1383169931 /nfs/dbraw/zinc/16/99/31/1383169931.db2.gz OCCLYWMBXZGPGU-UHFFFAOYSA-N -1 2 341.731 3.024 20 0 EGADLM O=[P@]([O-])(O)c1ccc(NCCCOc2ccc(Cl)cc2)cc1 ZINC001164236611 1383169933 /nfs/dbraw/zinc/16/99/33/1383169933.db2.gz OCCLYWMBXZGPGU-UHFFFAOYSA-N -1 2 341.731 3.024 20 0 EGADLM CN(CCC(=O)[O-])C(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC001574007112 961896249 /nfs/dbraw/zinc/89/62/49/961896249.db2.gz FIBVGSDITYMIIX-UHFFFAOYSA-N -1 2 333.771 3.259 20 0 EGADLM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc(Cl)c1F ZINC000314267845 963733676 /nfs/dbraw/zinc/73/36/76/963733676.db2.gz JGJBPKMMDWLXJF-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM Cc1cc(NS(=O)(=O)c2cccc(Cl)c2)sc1C(=O)[O-] ZINC000034955818 202281982 /nfs/dbraw/zinc/28/19/82/202281982.db2.gz QFLAAQXYEJMJHG-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM Cc1cccc(NS(=O)(=O)c2ccc(Cl)s2)c1C(=O)[O-] ZINC000071171299 202340146 /nfs/dbraw/zinc/34/01/46/202340146.db2.gz JHCLGJIMDLVXLL-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)on1 ZINC000120336541 152269119 /nfs/dbraw/zinc/26/91/19/152269119.db2.gz GNHGWNCVTXYPRU-WFASDCNBSA-N -1 2 349.818 3.117 20 0 EGADLM Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)s1 ZINC000314943553 154156775 /nfs/dbraw/zinc/15/67/75/154156775.db2.gz PGMUEYUEAOQQAH-UHFFFAOYSA-N -1 2 329.374 3.003 20 0 EGADLM O=S(=O)([N-]c1cc(C2CC2)[nH]n1)c1c(Cl)cccc1Cl ZINC000353854175 165906181 /nfs/dbraw/zinc/90/61/81/165906181.db2.gz VSFWUCJKGIJPQZ-UHFFFAOYSA-N -1 2 332.212 3.395 20 0 EGADLM Cc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C(=O)[O-])s1 ZINC000061022380 307352353 /nfs/dbraw/zinc/35/23/53/307352353.db2.gz PKCHKLPZGJDABK-UHFFFAOYSA-N -1 2 325.411 3.172 20 0 EGADLM CCc1ccccc1NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000156270757 307829973 /nfs/dbraw/zinc/82/99/73/307829973.db2.gz IWLYCMMYORFFOY-UHFFFAOYSA-N -1 2 337.372 3.196 20 0 EGADLM O=C([O-])c1csc(S(=O)(=O)Nc2cccc3ccc(O)cc32)c1 ZINC000439984146 309843323 /nfs/dbraw/zinc/84/33/23/309843323.db2.gz ZSULTRBYSQXCKJ-UHFFFAOYSA-N -1 2 349.389 3.106 20 0 EGADLM C[C@@]1(CO)CCC[N@@H+]1Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000579326229 325094131 /nfs/dbraw/zinc/09/41/31/325094131.db2.gz HLTOQPHCCLJPSX-KRWDZBQOSA-N -1 2 345.424 3.004 20 0 EGADLM Cc1ccsc1S(=O)(=O)Nc1c(C)ccc(F)c1C(=O)[O-] ZINC000547877191 458809755 /nfs/dbraw/zinc/80/97/55/458809755.db2.gz MOPDMQHWPQVHOO-UHFFFAOYSA-N -1 2 329.374 3.003 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2cc(C)cc(C)c2)sc1C(=O)[O-] ZINC000037225808 453934190 /nfs/dbraw/zinc/93/41/90/453934190.db2.gz BVNAFKKGRRJXGG-UHFFFAOYSA-N -1 2 325.411 3.172 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)sc1C(=O)[O-] ZINC000078677119 454297901 /nfs/dbraw/zinc/29/79/01/454297901.db2.gz NYGGWJXSUMNASA-UHFFFAOYSA-N -1 2 336.394 3.037 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)sc1C ZINC000091013446 454362257 /nfs/dbraw/zinc/36/22/57/454362257.db2.gz MLRDRPPCCNFPFW-UHFFFAOYSA-N -1 2 329.374 3.003 20 0 EGADLM O=c1[nH]nc([C@@H]2CCC[N@@H+](CC3CCC(C(F)(F)F)CC3)C2)[nH]1 ZINC000329612728 456915708 /nfs/dbraw/zinc/91/57/08/456915708.db2.gz CNWNSYOPGZRRFX-MOENNCHZSA-N -1 2 332.370 3.058 20 0 EGADLM Cc1ccc(S(=O)(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)s1 ZINC000347398729 457401410 /nfs/dbraw/zinc/40/14/10/457401410.db2.gz VRYCKYHNMQFCFT-UHFFFAOYSA-N -1 2 336.394 3.037 20 0 EGADLM Cc1cc(NC(=O)[C@@H](C)[N@@H+]2Cc3ccccc3C3(CCC3)C2)on1 ZINC000375619584 457992858 /nfs/dbraw/zinc/99/28/58/457992858.db2.gz YCWSMOWGKDLZRJ-CQSZACIVSA-N -1 2 325.412 3.248 20 0 EGADLM O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)c1cccc2[nH]nnc21 ZINC000578593003 459224948 /nfs/dbraw/zinc/22/49/48/459224948.db2.gz LAPOREPMYSMSGK-LBPRGKRZSA-N -1 2 348.328 3.109 20 0 EGADLM CC1(C)C[C@H](NC(=O)c2cccc3[nH]nnc32)c2cc(F)ccc2O1 ZINC000652820212 461369281 /nfs/dbraw/zinc/36/92/81/461369281.db2.gz WYXSPFHQZWIDCX-AWEZNQCLSA-N -1 2 340.358 3.129 20 0 EGADLM CCCc1nsc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000398130815 547837637 /nfs/dbraw/zinc/83/76/37/547837637.db2.gz JQJCVKQCWDOEFN-GDBMZVCRSA-N -1 2 330.501 3.235 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)sc1Cl ZINC000232359174 575064033 /nfs/dbraw/zinc/06/40/33/575064033.db2.gz DWHRBDBBXJGFJB-UHFFFAOYSA-N -1 2 349.792 3.348 20 0 EGADLM Cc1cc(NS(=O)(=O)c2ccc(C)c(C)c2)sc1C(=O)[O-] ZINC000020432242 599874889 /nfs/dbraw/zinc/87/48/89/599874889.db2.gz OCZMCOANAYWQEY-UHFFFAOYSA-N -1 2 325.411 3.172 20 0 EGADLM Cc1cc(NS(=O)(=O)c2ccc(C)cc2C)sc1C(=O)[O-] ZINC000020432067 599874967 /nfs/dbraw/zinc/87/49/67/599874967.db2.gz UBAMBDHQSDJXQU-UHFFFAOYSA-N -1 2 325.411 3.172 20 0 EGADLM CC(C)Oc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000833506824 605006135 /nfs/dbraw/zinc/00/61/35/605006135.db2.gz NUETZIYDYGMLCR-UHFFFAOYSA-N -1 2 341.410 3.034 20 0 EGADLM C[C@H](C(=O)[O-])[C@H](NC(=O)c1cccc(Cl)c1O)c1ccccc1 ZINC000833413314 605254988 /nfs/dbraw/zinc/25/49/88/605254988.db2.gz ZCRVCPBKRJJMEC-HZMBPMFUSA-N -1 2 333.771 3.237 20 0 EGADLM O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1ccc(Cl)cc1O ZINC000715698534 1298284444 /nfs/dbraw/zinc/28/44/44/1298284444.db2.gz RLDUYIXXVJGGHB-HNNXBMFYSA-N -1 2 330.815 3.050 20 0 EGADLM O=[P@@]([O-])(O)c1ccc(N[C@H](c2ccccc2)c2ccncc2)cc1 ZINC001164080966 1383153893 /nfs/dbraw/zinc/15/38/93/1383153893.db2.gz FDMDHTXVSMSYBH-GOSISDBHSA-N -1 2 340.319 3.086 20 0 EGADLM O=[P@]([O-])(O)c1ccc(N[C@H](c2ccccc2)c2ccncc2)cc1 ZINC001164080966 1383153894 /nfs/dbraw/zinc/15/38/94/1383153894.db2.gz FDMDHTXVSMSYBH-GOSISDBHSA-N -1 2 340.319 3.086 20 0 EGADLM Cc1cc2cc[nH]c2cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000780416208 978790261 /nfs/dbraw/zinc/79/02/61/978790261.db2.gz HSXDQVMNMOXNTN-UHFFFAOYSA-N -1 2 348.355 3.114 20 0 EGADLM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cccc(Cl)c1O ZINC001599888750 984668816 /nfs/dbraw/zinc/66/88/16/984668816.db2.gz QHURDNKKUNZMOZ-LLVKDONJSA-N -1 2 333.771 3.161 20 0 EGADLM Cc1ccc(F)c(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000047318201 204335881 /nfs/dbraw/zinc/33/58/81/204335881.db2.gz ODYMHOSVBOUGCX-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM Cc1cc(F)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1F ZINC000355789142 166311042 /nfs/dbraw/zinc/31/10/42/166311042.db2.gz VOKCOJQAOTTYOT-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM CC(C)OCCOC1CC[NH+](Cc2c(F)ccc(O)c2F)CC1 ZINC000449722081 310082460 /nfs/dbraw/zinc/08/24/60/310082460.db2.gz CUIAIKCGUAQXFI-UHFFFAOYSA-N -1 2 329.387 3.076 20 0 EGADLM CSc1cccc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000471964623 310755410 /nfs/dbraw/zinc/75/54/10/310755410.db2.gz AOCLZMKETFEYSE-UHFFFAOYSA-N -1 2 341.410 3.117 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2cc(F)c(F)cc2C(=O)[O-])sc1C ZINC000536903975 314153554 /nfs/dbraw/zinc/15/35/54/314153554.db2.gz GHYOIDLAIUULAJ-UHFFFAOYSA-N -1 2 347.364 3.142 20 0 EGADLM Cc1[nH+]c2cc(NS(=O)(=O)Cc3cc(C)cc(C)c3)ccc2n1C ZINC000554538147 315329631 /nfs/dbraw/zinc/32/96/31/315329631.db2.gz OVLVPACLGHSFNB-UHFFFAOYSA-N -1 2 343.452 3.440 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2C)sc1C ZINC000091013174 454361937 /nfs/dbraw/zinc/36/19/37/454361937.db2.gz AISBKDICECMJTM-UHFFFAOYSA-N -1 2 325.411 3.172 20 0 EGADLM Cc1ccc(O)c(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)c1 ZINC000363631674 457390415 /nfs/dbraw/zinc/39/04/15/457390415.db2.gz PUQQMJPQOSLCDL-KRWDZBQOSA-N -1 2 339.370 3.093 20 0 EGADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2cccc3ccccc32)c1 ZINC000436892495 458401439 /nfs/dbraw/zinc/40/14/39/458401439.db2.gz JYHWIEHFHVHWLM-UHFFFAOYSA-N -1 2 343.360 3.044 20 0 EGADLM Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(O)c1Br ZINC000459570237 458414558 /nfs/dbraw/zinc/41/45/58/458414558.db2.gz ZJDPEPNXIDHFFY-UHFFFAOYSA-N -1 2 338.249 3.182 20 0 EGADLM Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2F)cc(C(=O)[O-])c1 ZINC000507587920 548009736 /nfs/dbraw/zinc/00/97/36/548009736.db2.gz YEKWEFXORRUYKM-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM O=C([O-])c1ccc(CSc2nc(=O)cc(O)n2C2CCCC2)cc1 ZINC000819691788 597299712 /nfs/dbraw/zinc/29/97/12/597299712.db2.gz YYMDPEFHJRUSFH-UHFFFAOYSA-N -1 2 346.408 3.055 20 0 EGADLM O=C([O-])c1cc(NC(=O)/C=C\C2CC2)c(Br)cc1F ZINC000833092543 600975127 /nfs/dbraw/zinc/97/51/27/600975127.db2.gz INXGTGZQMQNGLT-ARJAWSKDSA-N -1 2 328.137 3.191 20 0 EGADLM Cc1cccc(S(=O)(=O)Nc2ncc(C(C)C)s2)c1C(=O)[O-] ZINC000832972902 600984598 /nfs/dbraw/zinc/98/45/98/600984598.db2.gz PCWJAIGQJLUXQR-UHFFFAOYSA-N -1 2 340.426 3.074 20 0 EGADLM Cc1cc(NS(=O)(=O)c2cc(C)c(F)cc2F)sc1C(=O)[O-] ZINC000832903775 601831143 /nfs/dbraw/zinc/83/11/43/601831143.db2.gz SNLKVFHHEDTLMZ-UHFFFAOYSA-N -1 2 347.364 3.142 20 0 EGADLM Cc1c(Cl)cc([N-]S(=O)(=O)Cc2ccccn2)c(O)c1Cl ZINC001197828854 1368908191 /nfs/dbraw/zinc/90/81/91/1368908191.db2.gz HDEZWLQRZMDIRI-UHFFFAOYSA-N -1 2 347.223 3.344 20 0 EGADLM O=[P@@]([O-])(O)Oc1ccc(OC2CCN(c3ccccc3)CC2)cc1 ZINC001234333190 1376813641 /nfs/dbraw/zinc/81/36/41/1376813641.db2.gz VDRPRCRYLVEIHC-UHFFFAOYSA-N -1 2 349.323 3.206 20 0 EGADLM O=[P@]([O-])(O)Oc1ccc(OC2CCN(c3ccccc3)CC2)cc1 ZINC001234333190 1376813648 /nfs/dbraw/zinc/81/36/48/1376813648.db2.gz VDRPRCRYLVEIHC-UHFFFAOYSA-N -1 2 349.323 3.206 20 0 EGADLM CC(C)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000007230590 956881445 /nfs/dbraw/zinc/88/14/45/956881445.db2.gz XTFLDSNVWYWJOJ-UHFFFAOYSA-N -1 2 337.372 3.448 20 0 EGADLM CCCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000013301252 957012867 /nfs/dbraw/zinc/01/28/67/957012867.db2.gz LWKUJMIVUJIDHT-UHFFFAOYSA-N -1 2 325.411 3.200 20 0 EGADLM CC[C@](NC(=O)C(F)C(F)(F)F)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595232776 980125942 /nfs/dbraw/zinc/12/59/42/980125942.db2.gz HTTZTLVPLSRGQJ-BXKDBHETSA-N -1 2 341.688 3.047 20 0 EGADLM CC[C@](NC(=O)[C@@H](F)C(F)(F)F)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595232776 980125951 /nfs/dbraw/zinc/12/59/51/980125951.db2.gz HTTZTLVPLSRGQJ-BXKDBHETSA-N -1 2 341.688 3.047 20 0 EGADLM Cc1cc(F)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2C)cc1F ZINC000355782655 166307870 /nfs/dbraw/zinc/30/78/70/166307870.db2.gz MHZICDPKYXOJED-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM C[C@@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2ccccc2F)cc1 ZINC000181773007 275209257 /nfs/dbraw/zinc/20/92/57/275209257.db2.gz VACKQIPRIVZLIM-NSHDSACASA-N -1 2 337.372 3.205 20 0 EGADLM COc1cc(CNc2nc(C3CCCCC3)ns2)ccc1C(=O)[O-] ZINC000514793151 312245628 /nfs/dbraw/zinc/24/56/28/312245628.db2.gz TZTHQYAGQCWCDE-UHFFFAOYSA-N -1 2 347.440 3.327 20 0 EGADLM Cc1c(NS(=O)(=O)c2cccc(Cl)c2F)cccc1C(=O)[O-] ZINC000065844580 454630738 /nfs/dbraw/zinc/63/07/38/454630738.db2.gz BWFNBXDAUALPAG-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1c(O)cc(Cl)cc1Cl ZINC000333231149 456182298 /nfs/dbraw/zinc/18/22/98/456182298.db2.gz GRYLEGNDBOCMOO-NSHDSACASA-N -1 2 343.254 3.446 20 0 EGADLM Cc1ccccc1[C@H]1C[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)[C@H](C)CO1 ZINC000459339825 458335729 /nfs/dbraw/zinc/33/57/29/458335729.db2.gz MFCKOVUHFLMHCL-RDTXWAMCSA-N -1 2 339.439 3.330 20 0 EGADLM Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(Cl)s1 ZINC000547549500 458760680 /nfs/dbraw/zinc/76/06/80/458760680.db2.gz ZMLCAZNVJBXRBV-UHFFFAOYSA-N -1 2 349.792 3.348 20 0 EGADLM Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1c(C)cccc1F ZINC000548209594 458854216 /nfs/dbraw/zinc/85/42/16/458854216.db2.gz NBLRAHXMEAPXIN-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM C[C@@](CO)([NH2+]Cc1cc(O)ccc1Br)c1ccccc1 ZINC000315111459 547464876 /nfs/dbraw/zinc/46/48/76/547464876.db2.gz LLJZQKHQDTXFKZ-INIZCTEOSA-N -1 2 336.229 3.152 20 0 EGADLM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc2ccccc2n1 ZINC000738348082 576316104 /nfs/dbraw/zinc/31/61/04/576316104.db2.gz WXTDWYRLLAIAOI-UHFFFAOYSA-N -1 2 342.376 3.042 20 0 EGADLM Cc1cccc(S(=O)(=O)Nc2nc(C(C)C)cs2)c1C(=O)[O-] ZINC000738747397 576358699 /nfs/dbraw/zinc/35/86/99/576358699.db2.gz WHMPNMRXJJKMRM-UHFFFAOYSA-N -1 2 340.426 3.074 20 0 EGADLM O=C([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)s1 ZINC000314271117 601357104 /nfs/dbraw/zinc/35/71/04/601357104.db2.gz BWHVMBDVHYUHMV-UHFFFAOYSA-N -1 2 337.422 3.126 20 0 EGADLM Cc1cc(F)c(S(=O)(=O)Nc2cccc(NC(=O)[O-])c2)cc1F ZINC000832887311 601881715 /nfs/dbraw/zinc/88/17/15/601881715.db2.gz OUMNOKMDBCNPNU-UHFFFAOYSA-N -1 2 342.323 3.164 20 0 EGADLM Cc1cc(F)c(S(=O)(=O)Nc2ccc3[nH]ccc3c2)cc1C(=O)[O-] ZINC000156283257 1294136726 /nfs/dbraw/zinc/13/67/26/1294136726.db2.gz UUCMHFAOJOWCOP-UHFFFAOYSA-N -1 2 348.355 3.114 20 0 EGADLM Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)c1C ZINC000749140593 1299151042 /nfs/dbraw/zinc/15/10/42/1299151042.db2.gz AYNJPESATALNJS-UHFFFAOYSA-N -1 2 337.372 3.250 20 0 EGADLM CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc(O)c1Cl ZINC000816609772 1319192825 /nfs/dbraw/zinc/19/28/25/1319192825.db2.gz LPQGCXUILPXPPG-CQSZACIVSA-N -1 2 340.851 3.488 20 0 EGADLM S=c1nc(-c2ccccn2)[nH]n1C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001328598777 1388787100 /nfs/dbraw/zinc/78/71/00/1388787100.db2.gz SLSJPAKVRCRBNP-KGLIPLIRSA-N -1 2 329.473 3.472 20 0 EGADLM O=C([O-])c1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc(C(=O)[O-])c1 ZINC001176241577 1385524715 /nfs/dbraw/zinc/52/47/15/1385524715.db2.gz MFOKOKNIHHNQDG-UHFFFAOYSA-N -1 2 337.335 3.071 20 0 EGADLM CC(C)(C)CC[C@H](NC(=O)c1cn[nH]c1-c1ccccc1F)C(=O)[O-] ZINC001588647814 969892513 /nfs/dbraw/zinc/89/25/13/969892513.db2.gz HYFBZPGTBQQALS-AWEZNQCLSA-N -1 2 347.390 3.225 20 0 EGADLM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(Cl)c2O)c2ccccc21 ZINC001594927904 970277308 /nfs/dbraw/zinc/27/73/08/970277308.db2.gz SUXSFHXWMFLGRN-LLVKDONJSA-N -1 2 331.755 3.264 20 0 EGADLM CCc1cccc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000020552033 212146718 /nfs/dbraw/zinc/14/67/18/212146718.db2.gz AKIXFAYTNJXGRQ-UHFFFAOYSA-N -1 2 325.411 3.118 20 0 EGADLM CCc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1C ZINC000314358830 154155264 /nfs/dbraw/zinc/15/52/64/154155264.db2.gz KCYMHXCHFVDYBZ-UHFFFAOYSA-N -1 2 325.411 3.118 20 0 EGADLM Cc1ccc(S(=O)(=O)Nc2ccc([C@H](C)CC(=O)[O-])cc2)s1 ZINC000317508361 154158537 /nfs/dbraw/zinc/15/85/37/154158537.db2.gz PPTAXMZUAGHKFB-SNVBAGLBSA-N -1 2 339.438 3.436 20 0 EGADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2ccccc21 ZINC000321298973 154166683 /nfs/dbraw/zinc/16/66/83/154166683.db2.gz YTYRXZAQAMUFMC-UHFFFAOYSA-N -1 2 331.349 3.240 20 0 EGADLM Cc1cc(C)c(C(=O)[O-])c(NS(=O)(=O)c2cccc(F)c2F)c1 ZINC000356474397 166426609 /nfs/dbraw/zinc/42/66/09/166426609.db2.gz GFENMYCADZVPJC-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM Cc1cc(Cl)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000015243267 453562013 /nfs/dbraw/zinc/56/20/13/453562013.db2.gz AIWFYLWSNFTTGY-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)c(C(=O)[O-])c1 ZINC000058364129 454193345 /nfs/dbraw/zinc/19/33/45/454193345.db2.gz USUUYWXVBSDEIM-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cccc(C)c2C)c1 ZINC000156241879 455097216 /nfs/dbraw/zinc/09/72/16/455097216.db2.gz BUKVVQXLLNFALS-UHFFFAOYSA-N -1 2 337.372 3.250 20 0 EGADLM Cc1ccsc1S(=O)(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000356721565 457134295 /nfs/dbraw/zinc/13/42/95/457134295.db2.gz KSIXFLXWJFZPAD-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1c(F)cccc1F ZINC000530648956 458804672 /nfs/dbraw/zinc/80/46/72/458804672.db2.gz ZAIMEQFROHYQGW-UHFFFAOYSA-N -1 2 341.335 3.026 20 0 EGADLM O=C([O-])c1cc(NC(=O)CC2CCC2)c(Br)cc1F ZINC000833093893 600975226 /nfs/dbraw/zinc/97/52/26/600975226.db2.gz LRLNFZDQGNMJNK-UHFFFAOYSA-N -1 2 330.153 3.415 20 0 EGADLM COC(=O)c1nc2ccc(-c3ccc(C(=O)[O-])c(C)c3Cl)[nH]c-2n1 ZINC001236129266 1376935074 /nfs/dbraw/zinc/93/50/74/1376935074.db2.gz PZUYALBDBZUFEZ-UHFFFAOYSA-N -1 2 345.742 3.023 20 0 EGADLM O=C(Nc1cc(Cl)ccc1O)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001335935048 1388970776 /nfs/dbraw/zinc/97/07/76/1388970776.db2.gz RDXCDTPOAZHROF-MRXNPFEDSA-N -1 2 345.830 3.434 20 0 EGADLM Cc1cc(C)c(S(=O)(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)s1 ZINC000396451755 972892278 /nfs/dbraw/zinc/89/22/78/972892278.db2.gz RPDOYQXNGOGGDZ-NSHDSACASA-N -1 2 339.438 3.354 20 0 EGADLM C[C@@H](CC(=O)[O-])NC(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC001599833858 988713704 /nfs/dbraw/zinc/71/37/04/988713704.db2.gz GEHFYLCYVNSHSV-JTQLQIEISA-N -1 2 333.771 3.306 20 0 EGADLM Cc1cccc(F)c1S(=O)(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC000186988301 144148977 /nfs/dbraw/zinc/14/89/77/144148977.db2.gz FUKHCJKMQYNSQD-UHFFFAOYSA-N -1 2 348.355 3.114 20 0 EGADLM O=C([O-])c1c(Cl)cccc1NS(=O)(=O)c1ccc(F)cc1F ZINC000315637210 154156440 /nfs/dbraw/zinc/15/64/40/154156440.db2.gz ZCUWTGIPIMGOGP-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM O=C([O-])c1ccc(NS(=O)(=O)c2c(F)cccc2Cl)cc1F ZINC000126332113 162299542 /nfs/dbraw/zinc/29/95/42/162299542.db2.gz CZFFXCKRPYAOCD-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM CCc1onc(-c2ccccc2Cl)c1C(=O)Nc1nc(C)n[nH]1 ZINC000355674347 166280179 /nfs/dbraw/zinc/28/01/79/166280179.db2.gz NEGLDLNOCKOESQ-UHFFFAOYSA-N -1 2 331.763 3.236 20 0 EGADLM Cc1cc(C)c(NS(=O)(=O)c2cccc(F)c2F)c(C(=O)[O-])c1 ZINC000523185832 312611469 /nfs/dbraw/zinc/61/14/69/312611469.db2.gz AUEJCDWPMYELOD-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])sc1Cl ZINC000231806615 456142955 /nfs/dbraw/zinc/14/29/55/456142955.db2.gz NZFTTXNMXGYPHO-UHFFFAOYSA-N -1 2 349.792 3.348 20 0 EGADLM Cc1ccsc1S(=O)(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000356732943 457139912 /nfs/dbraw/zinc/13/99/12/457139912.db2.gz AWUAZVLJTFSUIP-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM CC(C)([NH2+]Cc1cc(=O)[nH]c(C2CC2)n1)c1cc(C(F)(F)F)on1 ZINC000459494397 458390934 /nfs/dbraw/zinc/39/09/34/458390934.db2.gz RGOGWPHRRDHHNT-UHFFFAOYSA-N -1 2 342.321 3.091 20 0 EGADLM Cc1cc(C)c(S(=O)(=O)Nc2cc(C)cc(C(=O)[O-])c2)s1 ZINC000431181281 458540706 /nfs/dbraw/zinc/54/07/06/458540706.db2.gz RMOGXBDUUDUXEB-UHFFFAOYSA-N -1 2 325.411 3.172 20 0 EGADLM Cc1ccc(S(=O)(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)s1 ZINC000166560780 600636625 /nfs/dbraw/zinc/63/66/25/600636625.db2.gz YVVUODRGZUEESO-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM COc1cccnc1O[C@H]1CC[N@H+](Cc2ccc(Cl)c(O)c2)C1 ZINC001231735322 1376309368 /nfs/dbraw/zinc/30/93/68/1376309368.db2.gz NGWMYGRBRKWIGY-ZDUSSCGKSA-N -1 2 334.803 3.103 20 0 EGADLM Oc1cnccc1C[NH+]1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC001140277439 1378038773 /nfs/dbraw/zinc/03/87/73/1378038773.db2.gz ZMDKOOCKGDKIKB-UHFFFAOYSA-N -1 2 338.238 3.416 20 0 EGADLM CC1(C)CCC[C@](NC(=O)c2cccc(Cl)c2O)(C(=O)[O-])C1 ZINC001593892308 996740333 /nfs/dbraw/zinc/74/03/33/996740333.db2.gz LHYOTCKXWJZPKM-MRXNPFEDSA-N -1 2 325.792 3.199 20 0 EGADLM O=C([O-])c1c(Cl)cccc1NS(=O)(=O)c1c(F)cccc1F ZINC000315481368 154156213 /nfs/dbraw/zinc/15/62/13/154156213.db2.gz DPJRNSXUMFEJIK-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM Cc1cc(=O)[nH]c([C@H](C)[N@H+](C)Cc2ccc(Br)cc2)n1 ZINC000177913327 265286144 /nfs/dbraw/zinc/28/61/44/265286144.db2.gz JHIHXYCQJOGCCY-NSHDSACASA-N -1 2 336.233 3.446 20 0 EGADLM O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccc2[nH]nnc2c1 ZINC000176395921 275199912 /nfs/dbraw/zinc/19/99/12/275199912.db2.gz WUTPFANDZWQUPV-UHFFFAOYSA-N -1 2 346.350 3.138 20 0 EGADLM Cc1cc(C)cc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1 ZINC000512770535 312194370 /nfs/dbraw/zinc/19/43/70/312194370.db2.gz DTMYBNYUUUUACU-UHFFFAOYSA-N -1 2 337.372 3.250 20 0 EGADLM COc1ccc(CNc2nc(C3CCCCC3)ns2)cc1C(=O)[O-] ZINC000519161212 312442867 /nfs/dbraw/zinc/44/28/67/312442867.db2.gz BOSMOLORJVYRCJ-UHFFFAOYSA-N -1 2 347.440 3.327 20 0 EGADLM CCOc1ccc(S(=O)(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)cc1C ZINC000535396595 314044683 /nfs/dbraw/zinc/04/46/83/314044683.db2.gz AIFJWPIMWUVJAK-UHFFFAOYSA-N -1 2 345.424 3.379 20 0 EGADLM Cc1ccsc1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000542728959 314572698 /nfs/dbraw/zinc/57/26/98/314572698.db2.gz VVTCOQHDGIKBQC-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM Cc1ccsc1S(=O)(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000548539005 315022600 /nfs/dbraw/zinc/02/26/00/315022600.db2.gz KZJUXKJTCAYCOP-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM Cc1cc2cc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)ccc2[nH]1 ZINC000031721868 453852358 /nfs/dbraw/zinc/85/23/58/453852358.db2.gz QMWCZOHCWAIFNQ-UHFFFAOYSA-N -1 2 336.394 3.037 20 0 EGADLM Cc1cccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1F ZINC000180497120 455183428 /nfs/dbraw/zinc/18/34/28/455183428.db2.gz FWGUJQYURALRNG-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM CC[N@@H+](Cc1cc(=O)oc2cc(O)c(Cl)cc12)C[C@@H]1CCCO1 ZINC000284877150 455756064 /nfs/dbraw/zinc/75/60/64/455756064.db2.gz FDPPMJZPIPLNGQ-LBPRGKRZSA-N -1 2 337.803 3.153 20 0 EGADLM Cn1cc[nH+]c1[C@@H]1N(C(=O)c2cc3c(cc2O)CCCC3)CC1(C)C ZINC000296321236 455908899 /nfs/dbraw/zinc/90/88/99/455908899.db2.gz RVDWBTOTHHSKGO-KRWDZBQOSA-N -1 2 339.439 3.228 20 0 EGADLM CCOc1ccc(S(=O)(=O)Nc2cccc3c2C[N@H+](C)C3)c(C)c1 ZINC000427776587 458033265 /nfs/dbraw/zinc/03/32/65/458033265.db2.gz WXSQUYGZCSAFHK-UHFFFAOYSA-N -1 2 346.452 3.140 20 0 EGADLM Cc1cc2cc[nH]c2cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000436157981 458261630 /nfs/dbraw/zinc/26/16/30/458261630.db2.gz BTBJGLWHNUNPQD-UHFFFAOYSA-N -1 2 348.355 3.114 20 0 EGADLM O=c1cc(C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)nc(C2CC2)[nH]1 ZINC000459353689 458340368 /nfs/dbraw/zinc/34/03/68/458340368.db2.gz UCZUWUZRGXQMGH-HXUWFJFHSA-N -1 2 346.434 3.466 20 0 EGADLM O=C([O-])C[C@@H](NC(=O)c1cc(F)cc(Cl)c1O)c1cccs1 ZINC000833198937 601387007 /nfs/dbraw/zinc/38/70/07/601387007.db2.gz MVDRRSOMHSFDKR-SNVBAGLBSA-N -1 2 343.763 3.192 20 0 EGADLM CC[C@H](C)c1ccc(S(=O)(=O)Nc2csnc2C(=O)[O-])cc1 ZINC000828770476 601602364 /nfs/dbraw/zinc/60/23/64/601602364.db2.gz OJDRSZTWIIMBDB-VIFPVBQESA-N -1 2 340.426 3.156 20 0 EGADLM O=C([O-])CCCN(Cc1ccccc1)C(=O)c1c(O)cc(F)cc1F ZINC000833226580 604351389 /nfs/dbraw/zinc/35/13/89/604351389.db2.gz IGKDQURTRSBCTK-UHFFFAOYSA-N -1 2 349.333 3.178 20 0 EGADLM Cc1sc(NS(=O)(=O)c2ccc(C)cc2F)c(C(=O)[O-])c1C ZINC000833751406 605022659 /nfs/dbraw/zinc/02/26/59/605022659.db2.gz WKMBKCKWMFCKKE-UHFFFAOYSA-N -1 2 343.401 3.311 20 0 EGADLM Cc1cscc1NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000156374213 1294141638 /nfs/dbraw/zinc/14/16/38/1294141638.db2.gz RILIURQCUCTJGR-UHFFFAOYSA-N -1 2 329.374 3.003 20 0 EGADLM CC(C)(C)OC(=O)N1CCC[N@H+](Cc2cccc(Cl)c2O)CC1 ZINC000179672740 1294814479 /nfs/dbraw/zinc/81/44/79/1294814479.db2.gz UGJAALKUJBYQDZ-UHFFFAOYSA-N -1 2 340.851 3.488 20 0 EGADLM O=C(Nc1cc(Cl)c(O)cc1F)c1n[n-]c2ccccc2c1=O ZINC000805258704 1317333468 /nfs/dbraw/zinc/33/34/68/1317333468.db2.gz LDWIMOVSRDCSHY-UHFFFAOYSA-N -1 2 333.706 3.086 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C)c2C)sc1C ZINC000901729675 1317469387 /nfs/dbraw/zinc/46/93/87/1317469387.db2.gz FFEDIEBSLQQKEK-UHFFFAOYSA-N -1 2 339.438 3.481 20 0 EGADLM CC(C)(F)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000824162617 1429360641 /nfs/dbraw/zinc/36/06/41/1429360641.db2.gz JRTAMJHXBDTZFR-UHFFFAOYSA-N -1 2 341.346 3.346 20 0 EGADLM CC(C)(F)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000824162617 1429360647 /nfs/dbraw/zinc/36/06/47/1429360647.db2.gz JRTAMJHXBDTZFR-UHFFFAOYSA-N -1 2 341.346 3.346 20 0 EGADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cccc(C(F)F)c2)c1 ZINC000075081608 957740660 /nfs/dbraw/zinc/74/06/60/957740660.db2.gz QPMGLXOQVKHYBI-UHFFFAOYSA-N -1 2 345.298 3.262 20 0 EGADLM C[C@@H](CN(Cc1ccccc1)C(=O)c1cccc(Cl)c1O)C(=O)[O-] ZINC001592605844 978552514 /nfs/dbraw/zinc/55/25/14/978552514.db2.gz NLKVNQWRDDWARW-LBPRGKRZSA-N -1 2 347.798 3.409 20 0 EGADLM CCc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1 ZINC000037238749 213136487 /nfs/dbraw/zinc/13/64/87/213136487.db2.gz GTUOEXNETHHIGP-UHFFFAOYSA-N -1 2 325.411 3.118 20 0 EGADLM CC[C@H](Cc1ccc(NS(=O)(=O)c2cccs2)cc1)C(=O)[O-] ZINC000184904413 144100375 /nfs/dbraw/zinc/10/03/75/144100375.db2.gz AATGKVDCBPVWSX-GFCCVEGCSA-N -1 2 339.438 3.202 20 0 EGADLM CC(C)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000013301266 453456979 /nfs/dbraw/zinc/45/69/79/453456979.db2.gz KAURISYQQSRGEB-UHFFFAOYSA-N -1 2 325.411 3.371 20 0 EGADLM OC[C@]1(Cc2ccccc2)CCC[N@H+](Cc2c(F)ccc(O)c2F)C1 ZINC000294067256 308187263 /nfs/dbraw/zinc/18/72/63/308187263.db2.gz YHBSZLWQHDLMEV-FQEVSTJZSA-N -1 2 347.405 3.488 20 0 EGADLM CC(C)Cc1nsc(NCc2ccc(OCCCC(=O)[O-])cc2)n1 ZINC000571885327 317261983 /nfs/dbraw/zinc/26/19/83/317261983.db2.gz JYFNYLWQYXSMQC-UHFFFAOYSA-N -1 2 349.456 3.014 20 0 EGADLM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1c(F)cccc1Cl ZINC000125505362 454828086 /nfs/dbraw/zinc/82/80/86/454828086.db2.gz PSXQKMQFWOTZAM-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM O=C([O-])c1c(Cl)cccc1NS(=O)(=O)c1cccc(F)c1F ZINC000357558524 457594470 /nfs/dbraw/zinc/59/44/70/457594470.db2.gz OEAMBKWFJHYUNG-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2c(C)ccc(F)c2C(=O)[O-])sc1C ZINC000547554125 458760044 /nfs/dbraw/zinc/76/00/44/458760044.db2.gz XPEMPJGNTJKDDR-UHFFFAOYSA-N -1 2 343.401 3.311 20 0 EGADLM Cc1cccn2cc(Cc3noc(-c4cc(-c5ccco5)[nH]n4)n3)[nH+]c12 ZINC000546392117 459914785 /nfs/dbraw/zinc/91/47/85/459914785.db2.gz MYYDSRAIQNWWTC-UHFFFAOYSA-N -1 2 346.350 3.267 20 0 EGADLM Cc1cccn2cc(Cc3noc(-c4cc(-c5ccco5)n[nH]4)n3)[nH+]c12 ZINC000546392117 459914792 /nfs/dbraw/zinc/91/47/92/459914792.db2.gz MYYDSRAIQNWWTC-UHFFFAOYSA-N -1 2 346.350 3.267 20 0 EGADLM Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2F)cc(C(=O)[O-])c1 ZINC000507568688 548009331 /nfs/dbraw/zinc/00/93/31/548009331.db2.gz QJBGIHGRCPWRKD-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)[O-])c(F)c1 ZINC000404937745 599850044 /nfs/dbraw/zinc/85/00/44/599850044.db2.gz FUPHKUNCFCWCQY-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2nc(C(C)C)cs2)ccc1C(=O)[O-] ZINC000389221207 600975952 /nfs/dbraw/zinc/97/59/52/600975952.db2.gz UYASJQZLVAFVJV-UHFFFAOYSA-N -1 2 340.426 3.074 20 0 EGADLM CC(C)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000827128950 602117250 /nfs/dbraw/zinc/11/72/50/602117250.db2.gz FCJWOTZOXMYVAZ-UHFFFAOYSA-N -1 2 325.411 3.371 20 0 EGADLM O=c1[nH]nc([C@H]2CCC[N@H+](Cc3ccc4ccc(Cl)cc4n3)C2)o1 ZINC000878550027 1300067687 /nfs/dbraw/zinc/06/76/87/1300067687.db2.gz OERGBCOLFMXLED-LBPRGKRZSA-N -1 2 344.802 3.356 20 0 EGADLM Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C)c2C)s1 ZINC000901730016 1317469264 /nfs/dbraw/zinc/46/92/64/1317469264.db2.gz GRDWZTVYRZLIPB-UHFFFAOYSA-N -1 2 339.438 3.481 20 0 EGADLM C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H](NC(=O)c2ncccc2O)C1 ZINC001010725832 1337248095 /nfs/dbraw/zinc/24/80/95/1337248095.db2.gz IMSDMMLHPWXALM-SWLSCSKDSA-N -1 2 345.830 3.006 20 0 EGADLM CCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000385914552 972021269 /nfs/dbraw/zinc/02/12/69/972021269.db2.gz WRDAZZIIFQPIJK-UHFFFAOYSA-N -1 2 341.410 3.036 20 0 EGADLM O=C([O-])[C@H]1C[C@H](NC(=O)c2cc(F)cc(Cl)c2O)c2ccccc21 ZINC001594726810 957012750 /nfs/dbraw/zinc/01/27/50/957012750.db2.gz OSEBHEWEPGOYCV-FZMZJTMJSA-N -1 2 349.745 3.228 20 0 EGADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc3ccccc3c2)c1 ZINC000012508252 211394844 /nfs/dbraw/zinc/39/48/44/211394844.db2.gz RRBUGJNSVTZQQE-UHFFFAOYSA-N -1 2 333.390 3.400 20 0 EGADLM O=C([O-])c1cc(NS(=O)(=O)c2ccc(Cl)s2)ccc1F ZINC000037396376 140805085 /nfs/dbraw/zinc/80/50/85/140805085.db2.gz NRWWGEQHGQOJPH-UHFFFAOYSA-N -1 2 335.765 3.040 20 0 EGADLM O=C(Cc1ccc(O)cc1Cl)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000122132891 152392465 /nfs/dbraw/zinc/39/24/65/152392465.db2.gz PSMCZXJPVWDQFK-UHFFFAOYSA-N -1 2 327.771 3.413 20 0 EGADLM CCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1C ZINC000313843371 154154068 /nfs/dbraw/zinc/15/40/68/154154068.db2.gz IOHQVXXYTPJCSB-UHFFFAOYSA-N -1 2 325.411 3.118 20 0 EGADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ncsc1C(C)C ZINC000288365228 276206507 /nfs/dbraw/zinc/20/65/07/276206507.db2.gz XWOQBQWYPGETHC-UHFFFAOYSA-N -1 2 340.426 3.074 20 0 EGADLM OC[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2c(F)ccc(O)c2F)C1 ZINC000294067257 308187315 /nfs/dbraw/zinc/18/73/15/308187315.db2.gz YHBSZLWQHDLMEV-HXUWFJFHSA-N -1 2 347.405 3.488 20 0 EGADLM C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1c(F)ccc(O)c1F ZINC000295283105 308310612 /nfs/dbraw/zinc/31/06/12/308310612.db2.gz IPOJQHHUKVMTGS-JTQLQIEISA-N -1 2 330.375 3.015 20 0 EGADLM O=C([O-])c1csc(S(=O)(=O)Nc2cccc3ccsc32)c1 ZINC000386688160 324268538 /nfs/dbraw/zinc/26/85/38/324268538.db2.gz YVGYRSHCOCYWTC-UHFFFAOYSA-N -1 2 339.419 3.462 20 0 EGADLM O=c1cc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)nc(-c2ccccc2)[nH]1 ZINC000578722744 325008194 /nfs/dbraw/zinc/00/81/94/325008194.db2.gz WDJQAHBBGNFORL-KRWDZBQOSA-N -1 2 335.411 3.300 20 0 EGADLM CC(C)c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000015243428 453562266 /nfs/dbraw/zinc/56/22/66/453562266.db2.gz CUSBBZJAECBRSM-UHFFFAOYSA-N -1 2 325.411 3.371 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2cccc3[nH]ccc32)sc1C(=O)[O-] ZINC000058377475 454195327 /nfs/dbraw/zinc/19/53/27/454195327.db2.gz GDMZBIBDVCNELT-UHFFFAOYSA-N -1 2 336.394 3.037 20 0 EGADLM O=C([O-])c1cc(NS(=O)(=O)c2cc(F)ccc2F)ccc1Cl ZINC000047318079 454356312 /nfs/dbraw/zinc/35/63/12/454356312.db2.gz VXJVUFZNDZEHLA-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM CCOc1cc(C[N@H+]2CCC[C@@H]2CF)cc(Br)c1O ZINC000297359622 456197728 /nfs/dbraw/zinc/19/77/28/456197728.db2.gz GOKFLOLPIRZFET-LLVKDONJSA-N -1 2 332.213 3.487 20 0 EGADLM C[C@H]1[C@@H](NC(=O)c2cc(F)c(O)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000291796889 456760467 /nfs/dbraw/zinc/76/04/67/456760467.db2.gz PIOSHZYDIQCSMJ-SJCJKPOMSA-N -1 2 346.377 3.063 20 0 EGADLM O=C(COCC1CC1)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000361352484 457703123 /nfs/dbraw/zinc/70/31/23/457703123.db2.gz DUCAGWCMVXVIFV-UHFFFAOYSA-N -1 2 341.198 3.144 20 0 EGADLM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1cccc(F)c1F ZINC000547559068 458760782 /nfs/dbraw/zinc/76/07/82/458760782.db2.gz UTMOJOWHOPVFTF-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM C[N@H+](Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C1CC(O)C1 ZINC000544750458 459781923 /nfs/dbraw/zinc/78/19/23/459781923.db2.gz PUUXPTLIKDOKLV-UHFFFAOYSA-N -1 2 341.436 3.019 20 0 EGADLM O=C([O-])[C@]1(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)CC=CCC1 ZINC000653284493 461610573 /nfs/dbraw/zinc/61/05/73/461610573.db2.gz JDWXJIQRTGNTPM-CQSZACIVSA-N -1 2 330.167 3.449 20 0 EGADLM CCCc1nsc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000398130819 547836833 /nfs/dbraw/zinc/83/68/33/547836833.db2.gz JQJCVKQCWDOEFN-HOCLYGCPSA-N -1 2 330.501 3.235 20 0 EGADLM O=C([O-])CC[C@@H](NC(=O)c1c(O)cc(F)cc1F)c1ccccc1 ZINC000739662415 576494207 /nfs/dbraw/zinc/49/42/07/576494207.db2.gz DLXAAUXEFYPIRL-CYBMUJFWSA-N -1 2 335.306 3.006 20 0 EGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(F)cc1F ZINC000740089345 576545053 /nfs/dbraw/zinc/54/50/53/576545053.db2.gz FTUWEXLHJASXRR-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM Cc1ccc(F)c(S(=O)(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000316413220 600637380 /nfs/dbraw/zinc/63/73/80/600637380.db2.gz AALZPKLXGIZWQG-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1cc(F)ccc1Cl ZINC000833741191 605126592 /nfs/dbraw/zinc/12/65/92/605126592.db2.gz BBYMUCPDAJKSIC-UHFFFAOYSA-N -1 2 349.792 3.348 20 0 EGADLM CCc1cc2c(C[N@@H+]3C[C@@H](CC)O[C@@H](C)C3)cc(=O)oc2cc1O ZINC000111274530 1293101979 /nfs/dbraw/zinc/10/19/79/1293101979.db2.gz ITXLYUMQTHPCCW-SWLSCSKDSA-N -1 2 331.412 3.060 20 0 EGADLM Cc1cc(F)c(S(=O)(=O)Nc2cccc(F)c2C)cc1C(=O)[O-] ZINC000156350451 1294139559 /nfs/dbraw/zinc/13/95/59/1294139559.db2.gz VSWPPMJBXGHNCH-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM CCOC(=O)[C@H](C)[N@H+](Cc1cc(Br)ccc1O)C1CC1 ZINC000191709483 1295705161 /nfs/dbraw/zinc/70/51/61/1295705161.db2.gz BVFDINSEXFYKMY-JTQLQIEISA-N -1 2 342.233 3.071 20 0 EGADLM CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(O)c1Cl ZINC000816609771 1319194164 /nfs/dbraw/zinc/19/41/64/1319194164.db2.gz LPQGCXUILPXPPG-AWEZNQCLSA-N -1 2 340.851 3.488 20 0 EGADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nccc2ccccc21 ZINC001185869284 1387820900 /nfs/dbraw/zinc/82/09/00/1387820900.db2.gz SYAQYUUUCWYHRX-UHFFFAOYSA-N -1 2 342.376 3.042 20 0 EGADLM O=S(=O)(Nc1ccccc1[S-])c1ccc(C(F)(F)F)cn1 ZINC001194293682 1368225812 /nfs/dbraw/zinc/22/58/12/1368225812.db2.gz DQOGDNFTACLFST-UHFFFAOYSA-N -1 2 334.344 3.190 20 0 EGADLM O=S(=O)(Cc1ccccn1)[N-]c1cc(Cl)cc(Cl)c1O ZINC001197820513 1368906135 /nfs/dbraw/zinc/90/61/35/1368906135.db2.gz CZIJGBLLNYEBIS-UHFFFAOYSA-N -1 2 333.196 3.036 20 0 EGADLM O=S(=O)(Nc1ccccc1[S-])c1c(Cl)nc2sccn21 ZINC001187127775 1388056937 /nfs/dbraw/zinc/05/69/37/1388056937.db2.gz WJZVGOZCWGWVFC-UHFFFAOYSA-N -1 2 345.858 3.139 20 0 EGADLM CCC[C@H]1C[N@H+](Cc2ncccc2O)CCN1C(=O)OC(C)(C)C ZINC001138396274 1377715804 /nfs/dbraw/zinc/71/58/04/1377715804.db2.gz PEVOSRXRCAQSGD-AWEZNQCLSA-N -1 2 335.448 3.009 20 0 EGADLM Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001142669419 1378472246 /nfs/dbraw/zinc/47/22/46/1378472246.db2.gz MEMMQPCEQRKOTC-HNNXBMFYSA-N -1 2 346.814 3.395 20 0 EGADLM S=c1nc(-c2ccccn2)[nH]n1C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001328598778 1388787060 /nfs/dbraw/zinc/78/70/60/1388787060.db2.gz SLSJPAKVRCRBNP-UONOGXRCSA-N -1 2 329.473 3.472 20 0 EGADLM O=C([O-])c1cc(NS(=O)(=O)c2cccc(Cl)c2F)ccc1F ZINC000097444789 219025717 /nfs/dbraw/zinc/02/57/17/219025717.db2.gz ZNZIHKOVKTXQFK-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM C[C@H](Sc1ccc(NS(=O)(=O)c2cccs2)cc1)C(=O)[O-] ZINC000349105801 156355480 /nfs/dbraw/zinc/35/54/80/156355480.db2.gz HJJXORLZWXUYHG-VIFPVBQESA-N -1 2 343.451 3.114 20 0 EGADLM O=C(Nc1cccc(O)c1F)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000129375905 162355586 /nfs/dbraw/zinc/35/55/86/162355586.db2.gz JBDHHDFJSSFBQN-HNNXBMFYSA-N -1 2 332.350 3.274 20 0 EGADLM CC(=O)c1cc(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)ccc1C ZINC000193015302 266004337 /nfs/dbraw/zinc/00/43/37/266004337.db2.gz PYMRQVMIMMVONV-UHFFFAOYSA-N -1 2 338.342 3.374 20 0 EGADLM C[N@H+](Cc1cc(O)ccc1Br)[C@@H](CO)c1ccccc1 ZINC000295096356 308290835 /nfs/dbraw/zinc/29/08/35/308290835.db2.gz SDQYFEYDLUVDFY-INIZCTEOSA-N -1 2 336.229 3.320 20 0 EGADLM Cc1ccc(S(=O)(=O)Nc2c(C)ccc(F)c2C(=O)[O-])c(F)c1 ZINC000547555916 314915894 /nfs/dbraw/zinc/91/58/94/314915894.db2.gz QTSBPTGSRGNLFZ-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2C)s1 ZINC000386654582 324269270 /nfs/dbraw/zinc/26/92/70/324269270.db2.gz ZDEMQEVPBBTXRX-UHFFFAOYSA-N -1 2 325.411 3.172 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2cncc3ccccc32)sc1C(=O)[O-] ZINC000396509687 324293820 /nfs/dbraw/zinc/29/38/20/324293820.db2.gz DODASIKWCZBAMX-UHFFFAOYSA-N -1 2 348.405 3.104 20 0 EGADLM O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1ccc(Cl)s1 ZINC000033047684 453902474 /nfs/dbraw/zinc/90/24/74/453902474.db2.gz OYRAUDXKGMVEPJ-UHFFFAOYSA-N -1 2 335.765 3.040 20 0 EGADLM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C)c(C)s1 ZINC000091018403 454362594 /nfs/dbraw/zinc/36/25/94/454362594.db2.gz DGPXRMFCMLPLTC-UHFFFAOYSA-N -1 2 339.438 3.426 20 0 EGADLM Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2F)c(C(=O)[O-])c1 ZINC000048286291 454468126 /nfs/dbraw/zinc/46/81/26/454468126.db2.gz FIMJYUAZQIVSQS-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(F)c(F)c(O)c1F ZINC000296471136 455947736 /nfs/dbraw/zinc/94/77/36/455947736.db2.gz QKSIUMXPQUURHH-NSHDSACASA-N -1 2 344.377 3.050 20 0 EGADLM Cc1ccsc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000356725787 457136821 /nfs/dbraw/zinc/13/68/21/457136821.db2.gz YIQLKMMQDFUGNZ-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM Cc1ccsc1S(=O)(=O)Nc1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000342438665 457304271 /nfs/dbraw/zinc/30/42/71/457304271.db2.gz PEVKPYJBOFGSQT-LLVKDONJSA-N -1 2 339.438 3.436 20 0 EGADLM Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CCCN(c3cccc(F)c3F)CC2)n1 ZINC000660663859 461913358 /nfs/dbraw/zinc/91/33/58/461913358.db2.gz DHKWXCMIWHWMJY-ZDUSSCGKSA-N -1 2 348.397 3.042 20 0 EGADLM CC[C@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(F)cc32)C1 ZINC000736400703 575952018 /nfs/dbraw/zinc/95/20/18/575952018.db2.gz AJGDCSZYNFUJPX-LBPRGKRZSA-N -1 2 340.406 3.489 20 0 EGADLM CCc1ccc(S(=O)(=O)Nc2ccc(F)c(NC(=O)[O-])c2)s1 ZINC000737267939 576195478 /nfs/dbraw/zinc/19/54/78/576195478.db2.gz OKLLOUDQENENNF-UHFFFAOYSA-N -1 2 344.389 3.340 20 0 EGADLM CC(C)Oc1ccc(S(=O)(=O)Nc2sccc2C(=O)[O-])cc1 ZINC000833506634 605203656 /nfs/dbraw/zinc/20/36/56/605203656.db2.gz IBFUKDFAPVSWGU-UHFFFAOYSA-N -1 2 341.410 3.034 20 0 EGADLM O=C([O-])c1cc(F)c(F)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000159901542 1294250538 /nfs/dbraw/zinc/25/05/38/1294250538.db2.gz YVSKIPIHECMWEP-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM O=C([O-])c1cc(F)c(F)c(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000159898598 1294250977 /nfs/dbraw/zinc/25/09/77/1294250977.db2.gz FCLADONAZYQPNA-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM CCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cc1 ZINC000322492744 1297191729 /nfs/dbraw/zinc/19/17/29/1297191729.db2.gz PDPNTALVLSPCNK-UHFFFAOYSA-N -1 2 341.335 3.026 20 0 EGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2)c(F)c(Cl)c1F ZINC000779824926 1304610017 /nfs/dbraw/zinc/61/00/17/1304610017.db2.gz KELDPIHAJMYAOH-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM CC(C)[C@H]([NH2+]Cc1ccc(O)c(F)c1)c1nc(-c2ccncc2)no1 ZINC000893341729 1305839760 /nfs/dbraw/zinc/83/97/60/1305839760.db2.gz AEGYXCYMIAILOE-INIZCTEOSA-N -1 2 342.374 3.463 20 0 EGADLM O=[P@@]([O-])(O)Oc1ccc(O[C@@H]2CCCN(c3ccccc3)C2)cc1 ZINC001234331635 1376812170 /nfs/dbraw/zinc/81/21/70/1376812170.db2.gz IKJSJDADOQQJSF-QGZVFWFLSA-N -1 2 349.323 3.206 20 0 EGADLM O=[P@]([O-])(O)Oc1ccc(O[C@@H]2CCCN(c3ccccc3)C2)cc1 ZINC001234331635 1376812174 /nfs/dbraw/zinc/81/21/74/1376812174.db2.gz IKJSJDADOQQJSF-QGZVFWFLSA-N -1 2 349.323 3.206 20 0 EGADLM Oc1cccnc1C[NH+]1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC001138393997 1377716123 /nfs/dbraw/zinc/71/61/23/1377716123.db2.gz BUQCSDKMIGBEEM-UHFFFAOYSA-N -1 2 338.238 3.416 20 0 EGADLM O=C([O-])c1cc(Nc2cc[nH+]c3ccc(Cl)cc23)cc(C(=O)[O-])c1 ZINC001176236866 1385523117 /nfs/dbraw/zinc/52/31/17/1385523117.db2.gz PHJUQOJVCJXVJS-UHFFFAOYSA-N -1 2 342.738 3.450 20 0 EGADLM Cc1csc(C(=O)[O-])c1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000128322275 958658519 /nfs/dbraw/zinc/65/85/19/958658519.db2.gz GXMVKUIUEPXUDK-UHFFFAOYSA-N -1 2 349.792 3.348 20 0 EGADLM CCCc1ccccc1NS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000319639827 970556116 /nfs/dbraw/zinc/55/61/16/970556116.db2.gz CYVGFGXZNMIIAK-UHFFFAOYSA-N -1 2 337.397 3.348 20 0 EGADLM Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)on1 ZINC000120336401 152269032 /nfs/dbraw/zinc/26/90/32/152269032.db2.gz GNHGWNCVTXYPRU-DOMZBBRYSA-N -1 2 349.818 3.117 20 0 EGADLM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1Cl ZINC000015243191 453562051 /nfs/dbraw/zinc/56/20/51/453562051.db2.gz JCWXZPRSCKTBQG-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM Cc1nc(Cl)ccc1C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000364815436 457699294 /nfs/dbraw/zinc/69/92/94/457699294.db2.gz RYBMWBYXSKRUKU-UHFFFAOYSA-N -1 2 349.728 3.359 20 0 EGADLM O=c1cc(C[N@H+](Cc2ccccn2)C2CC2)nc(-c2ccccc2)[nH]1 ZINC000459481608 458387901 /nfs/dbraw/zinc/38/79/01/458387901.db2.gz XBHSVRCGIVQJFI-UHFFFAOYSA-N -1 2 332.407 3.409 20 0 EGADLM O=C([O-])c1sccc1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000035306677 599873285 /nfs/dbraw/zinc/87/32/85/599873285.db2.gz ZQZZOGTUQIBFMX-UHFFFAOYSA-N -1 2 335.765 3.040 20 0 EGADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1nc(C(C)C)cs1 ZINC000315499253 599965502 /nfs/dbraw/zinc/96/55/02/599965502.db2.gz GXMAPJWKBMNPGY-UHFFFAOYSA-N -1 2 340.426 3.074 20 0 EGADLM CCCOc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000829538085 602115075 /nfs/dbraw/zinc/11/50/75/602115075.db2.gz YDVGMXGKXSSCSU-UHFFFAOYSA-N -1 2 341.410 3.036 20 0 EGADLM CC(C)C[C@@H](NC(=O)[O-])C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000833479395 604779002 /nfs/dbraw/zinc/77/90/02/604779002.db2.gz LVQUOLFEEKYFJF-SNVBAGLBSA-N -1 2 335.187 3.320 20 0 EGADLM C=Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC001195237738 1368406023 /nfs/dbraw/zinc/40/60/23/1368406023.db2.gz HNXYSKBJCPQTDN-UHFFFAOYSA-N -1 2 339.319 3.107 20 0 EGADLM O=[P@@]([O-])(O)c1ccc(-c2ccc(Oc3ccccc3)nc2)cc1 ZINC001205366430 1370732593 /nfs/dbraw/zinc/73/25/93/1370732593.db2.gz BSMDZNVBYDMKSK-UHFFFAOYSA-N -1 2 327.276 3.344 20 0 EGADLM O=[P@]([O-])(O)c1ccc(-c2ccc(Oc3ccccc3)nc2)cc1 ZINC001205366430 1370732594 /nfs/dbraw/zinc/73/25/94/1370732594.db2.gz BSMDZNVBYDMKSK-UHFFFAOYSA-N -1 2 327.276 3.344 20 0 EGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccsc2)c(F)cc1Cl ZINC001259213021 960668076 /nfs/dbraw/zinc/66/80/76/960668076.db2.gz GNCJFIWLKZYYEU-UHFFFAOYSA-N -1 2 335.765 3.040 20 0 EGADLM O=C([O-])[C@@H]1CN(C(=O)c2cc(F)cc(Cl)c2O)Cc2ccccc21 ZINC001606041850 973148033 /nfs/dbraw/zinc/14/80/33/973148033.db2.gz ZJPJZCVRLFJMKV-CYBMUJFWSA-N -1 2 349.745 3.009 20 0 EGADLM COC(=O)c1ccc(C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)[nH]1 ZINC000339541701 141127837 /nfs/dbraw/zinc/12/78/37/141127837.db2.gz BCYYTBBOUFCJKC-UHFFFAOYSA-N -1 2 337.335 3.241 20 0 EGADLM Cc1ccsc1S(=O)(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000362199755 157070119 /nfs/dbraw/zinc/07/01/19/157070119.db2.gz PYMKXXKASBCCHR-UHFFFAOYSA-N -1 2 339.438 3.220 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2c(C)cccc2C)sc1C(=O)[O-] ZINC000037238777 301402190 /nfs/dbraw/zinc/40/21/90/301402190.db2.gz PSQYXFJRBNAXFO-UHFFFAOYSA-N -1 2 325.411 3.172 20 0 EGADLM C[C@@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000125487363 307556606 /nfs/dbraw/zinc/55/66/06/307556606.db2.gz JDGUKAKLVNFFTI-JTQLQIEISA-N -1 2 325.411 3.127 20 0 EGADLM Cc1cscc1NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000156374343 307832009 /nfs/dbraw/zinc/83/20/09/307832009.db2.gz GGEJXZKYPKJTNJ-UHFFFAOYSA-N -1 2 329.374 3.003 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2ccc(C)cc2C(=O)[O-])sc1C ZINC000536901259 314153519 /nfs/dbraw/zinc/15/35/19/314153519.db2.gz OAASHCUWIBLTEK-UHFFFAOYSA-N -1 2 325.411 3.172 20 0 EGADLM O=C([O-])c1csc(S(=O)(=O)Nc2cccc(-n3cccc3)c2)c1 ZINC000078977132 454347333 /nfs/dbraw/zinc/34/73/33/454347333.db2.gz VWTQLKSXDFBAMS-UHFFFAOYSA-N -1 2 348.405 3.038 20 0 EGADLM O=C(NCc1ccc(Oc2ccccc2)nc1)c1cccc2[nH]nnc21 ZINC000187642878 455933958 /nfs/dbraw/zinc/93/39/58/455933958.db2.gz HLRKWVFRNDNZOX-UHFFFAOYSA-N -1 2 345.362 3.075 20 0 EGADLM Oc1cc(F)cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282433416 456511695 /nfs/dbraw/zinc/51/16/95/456511695.db2.gz FKRDKXBVHHCHSU-HNNXBMFYSA-N -1 2 329.419 3.444 20 0 EGADLM CSc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1C ZINC000340765298 456673854 /nfs/dbraw/zinc/67/38/54/456673854.db2.gz BBQUNFMCFCPXHP-UHFFFAOYSA-N -1 2 343.451 3.277 20 0 EGADLM COCC[N@@H+](Cc1cc(O)cc(C(F)(F)F)c1)Cc1ccccn1 ZINC000291677744 456716736 /nfs/dbraw/zinc/71/67/36/456716736.db2.gz WZWWDXYLVQDOGQ-UHFFFAOYSA-N -1 2 340.345 3.455 20 0 EGADLM Cc1ccsc1S(=O)(=O)Nc1cc(C)cc(C)c1C(=O)[O-] ZINC000356474486 457008928 /nfs/dbraw/zinc/00/89/28/457008928.db2.gz GJNDTQLSBOYJEI-UHFFFAOYSA-N -1 2 325.411 3.172 20 0 EGADLM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1sccc1C ZINC000356713569 457129203 /nfs/dbraw/zinc/12/92/03/457129203.db2.gz SMNMRYOYAKBLEA-UHFFFAOYSA-N -1 2 343.451 3.277 20 0 EGADLM CCOC(=O)C1CC[NH+](Cc2cc(Cl)c(O)c(OCC)c2)CC1 ZINC000459294680 458318386 /nfs/dbraw/zinc/31/83/86/458318386.db2.gz KZKVTHAYUZNRIW-UHFFFAOYSA-N -1 2 341.835 3.219 20 0 EGADLM Cn1ccnc1[C@@H]([NH2+]Cc1cccc(O)c1Br)C1CC1 ZINC000459543848 458405634 /nfs/dbraw/zinc/40/56/34/458405634.db2.gz MYJANSACDWODSO-AWEZNQCLSA-N -1 2 336.233 3.129 20 0 EGADLM O=C(CCc1cccc(F)c1F)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000520272867 459045643 /nfs/dbraw/zinc/04/56/43/459045643.db2.gz NBTQWPHRXHTMJF-UHFFFAOYSA-N -1 2 346.312 3.460 20 0 EGADLM O=C(NCCCCc1ccc(Cl)s1)c1cccc2[nH]nnc21 ZINC000557080819 459047152 /nfs/dbraw/zinc/04/71/52/459047152.db2.gz VKNBIRCGYHTQFV-UHFFFAOYSA-N -1 2 334.832 3.426 20 0 EGADLM Cc1nn(C(C)C)cc1C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000582856193 459439774 /nfs/dbraw/zinc/43/97/74/459439774.db2.gz MJMYJWSRPZOACF-UHFFFAOYSA-N -1 2 346.341 3.088 20 0 EGADLM CCc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1CC ZINC000486089652 547968437 /nfs/dbraw/zinc/96/84/37/547968437.db2.gz QLQBFBHSGJKAQL-UHFFFAOYSA-N -1 2 349.408 3.016 20 0 EGADLM O=C([O-])CCCCCCNC(=O)c1ccc(Cl)c(Cl)c1O ZINC000739666890 576495367 /nfs/dbraw/zinc/49/53/67/576495367.db2.gz XWWSMXHLZTUMBB-UHFFFAOYSA-N -1 2 334.199 3.464 20 0 EGADLM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1nc2ccccc2s1 ZINC000323365155 600050908 /nfs/dbraw/zinc/05/09/08/600050908.db2.gz YGJKGABXOZRQGN-UHFFFAOYSA-N -1 2 348.405 3.104 20 0 EGADLM O=C([O-])c1cc(NC(=O)/C=C/C2CC2)c(Br)cc1F ZINC000833092544 600975258 /nfs/dbraw/zinc/97/52/58/600975258.db2.gz INXGTGZQMQNGLT-ONEGZZNKSA-N -1 2 328.137 3.191 20 0 EGADLM CC[C@@H](C)c1ccc(S(=O)(=O)Nc2csnc2C(=O)[O-])cc1 ZINC000828770475 601602397 /nfs/dbraw/zinc/60/23/97/601602397.db2.gz OJDRSZTWIIMBDB-SECBINFHSA-N -1 2 340.426 3.156 20 0 EGADLM Cc1ccc(NS(=O)(=O)c2cc(F)c(C)cc2F)c(C(=O)[O-])c1 ZINC000832952987 601881692 /nfs/dbraw/zinc/88/16/92/601881692.db2.gz RCQIDWXQVBZPTN-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM O=C([O-])c1csc(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000833343961 602117301 /nfs/dbraw/zinc/11/73/01/602117301.db2.gz UVVKMCFYWXMEFE-UHFFFAOYSA-N -1 2 337.422 3.126 20 0 EGADLM O=C([O-])CCCCCCCNC(=O)c1cc(F)cc(Cl)c1O ZINC000034532728 604319026 /nfs/dbraw/zinc/31/90/26/604319026.db2.gz UCHFJNMOJWAWLT-UHFFFAOYSA-N -1 2 331.771 3.340 20 0 EGADLM O=C([O-])[C@H]1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)C1 ZINC000833191659 604943843 /nfs/dbraw/zinc/94/38/43/604943843.db2.gz PKFPNZRZAWQULM-LBPRGKRZSA-N -1 2 345.782 3.259 20 0 EGADLM Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1 ZINC000159878415 1294249608 /nfs/dbraw/zinc/24/96/08/1294249608.db2.gz DJHBNWDKADEPAM-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM CCc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1 ZINC000322482003 1297191866 /nfs/dbraw/zinc/19/18/66/1297191866.db2.gz KXAQMRGCYRPXJT-UHFFFAOYSA-N -1 2 341.335 3.026 20 0 EGADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc(Cl)cs2)ccc1F ZINC001186150646 1387882882 /nfs/dbraw/zinc/88/28/82/1387882882.db2.gz JJULIMBDMIFNAQ-UHFFFAOYSA-N -1 2 335.765 3.040 20 0 EGADLM O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cc(F)c(O)cc1F ZINC001192877159 1367893624 /nfs/dbraw/zinc/89/36/24/1367893624.db2.gz QVZZATCMAXYUJD-KRWDZBQOSA-N -1 2 346.377 3.237 20 0 EGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc3c2CCCC3)s1 ZINC000386841093 972084817 /nfs/dbraw/zinc/08/48/17/972084817.db2.gz WGNJVWBMYFORQZ-UHFFFAOYSA-N -1 2 337.422 3.126 20 0 EGADLM O=C([O-])[C@@H]1C[C@H](NC(=O)c2cc(F)cc(Cl)c2O)c2ccccc21 ZINC001594726811 957013379 /nfs/dbraw/zinc/01/33/79/957013379.db2.gz OSEBHEWEPGOYCV-RISCZKNCSA-N -1 2 349.745 3.228 20 0 EGADLM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1cc(F)ccc1Cl ZINC000078487751 217061119 /nfs/dbraw/zinc/06/11/19/217061119.db2.gz ULZKTDHSUPFWIF-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM O=C1CCCN1c1ccc(C[NH2+]Cc2c(F)ccc(O)c2F)cc1 ZINC000294188743 308198451 /nfs/dbraw/zinc/19/84/51/308198451.db2.gz KBSPSXKKIUYWNI-UHFFFAOYSA-N -1 2 332.350 3.087 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2c(C)cc(C)cc2C(=O)[O-])sc1C ZINC000538014726 314223832 /nfs/dbraw/zinc/22/38/32/314223832.db2.gz DQMUFFMBNHYGPI-UHFFFAOYSA-N -1 2 339.438 3.481 20 0 EGADLM O=C([O-])c1cc2ccccc2cc1NS(=O)(=O)c1ccccc1F ZINC000013262998 453456303 /nfs/dbraw/zinc/45/63/03/453456303.db2.gz CKEYWRGMESVIJO-UHFFFAOYSA-N -1 2 345.351 3.478 20 0 EGADLM Cc1ccc(S(=O)(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)s1 ZINC000265729939 455369970 /nfs/dbraw/zinc/36/99/70/455369970.db2.gz AYZKPVSNRKCFPI-UHFFFAOYSA-N -1 2 339.438 3.220 20 0 EGADLM Cc1ccc(-c2cc(C(=O)N3C[C@H](C(=O)[O-])c4ccccc43)[nH]n2)cc1 ZINC000192951172 455724593 /nfs/dbraw/zinc/72/45/93/455724593.db2.gz IMHZAONUHOBHCT-HNNXBMFYSA-N -1 2 347.374 3.214 20 0 EGADLM CCOC(=O)c1sc2[nH]c([C@@H](C)[N@@H+]3CCC[C@H]3C)nc(=O)c2c1C ZINC000253549982 455852500 /nfs/dbraw/zinc/85/25/00/455852500.db2.gz KJSBYUDYOXWNHK-MWLCHTKSSA-N -1 2 349.456 3.427 20 0 EGADLM O=C(NCC1(c2ccccc2Cl)CC1)c1cccc2[nH]nnc21 ZINC000188666694 456107688 /nfs/dbraw/zinc/10/76/88/456107688.db2.gz HYVFDSCVPJEYHC-UHFFFAOYSA-N -1 2 326.787 3.073 20 0 EGADLM Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCc3c(cccc3C(C)C)C2)on1 ZINC000355375914 457366467 /nfs/dbraw/zinc/36/64/67/457366467.db2.gz MNVMWVIDXPZUMZ-CQSZACIVSA-N -1 2 327.428 3.492 20 0 EGADLM Cc1ccc(O)c(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)c1 ZINC000363631675 457390321 /nfs/dbraw/zinc/39/03/21/457390321.db2.gz PUQQMJPQOSLCDL-QGZVFWFLSA-N -1 2 339.370 3.093 20 0 EGADLM Cc1cc2cc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3F)ccc2[nH]1 ZINC000438799965 458615074 /nfs/dbraw/zinc/61/50/74/458615074.db2.gz KDEFVISRDLDWSV-UHFFFAOYSA-N -1 2 348.355 3.114 20 0 EGADLM O=C([O-])c1ccccc1NS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000556347332 458952368 /nfs/dbraw/zinc/95/23/68/458952368.db2.gz XCBTZWVJVALOHO-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM CC[C@H](CNC(=O)c1cccc2[nH]nnc21)Oc1ccccc1Cl ZINC000540962912 459411244 /nfs/dbraw/zinc/41/12/44/459411244.db2.gz ZJQALNFZOLXMBE-LLVKDONJSA-N -1 2 344.802 3.199 20 0 EGADLM CO[C@@H](CS(=O)(=O)[N-]c1ccc(F)c(F)c1O)C1CCCCC1 ZINC000656631656 461812417 /nfs/dbraw/zinc/81/24/17/461812417.db2.gz ODWGVEVYCYSGQJ-ZDUSSCGKSA-N -1 2 349.399 3.007 20 0 EGADLM CCCc1nsc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000398130817 547837477 /nfs/dbraw/zinc/83/74/77/547837477.db2.gz JQJCVKQCWDOEFN-GOEBONIOSA-N -1 2 330.501 3.235 20 0 EGADLM Cc1cc(NS(=O)(=O)c2ccc(F)c(C)c2)sc1C(=O)[O-] ZINC000738251397 574548017 /nfs/dbraw/zinc/54/80/17/574548017.db2.gz KUEURTBVFCHHDN-UHFFFAOYSA-N -1 2 329.374 3.003 20 0 EGADLM O=C([O-])c1cc(Cl)cc(NS(=O)(=O)c2cccc(F)c2F)c1 ZINC000740075275 576543460 /nfs/dbraw/zinc/54/34/60/576543460.db2.gz HLMAGTBAUHDATD-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM O=C([O-])CCN(C(=O)Cc1cc(F)ccc1F)c1cccc(F)c1 ZINC000833231159 600975233 /nfs/dbraw/zinc/97/52/33/600975233.db2.gz BNCBCCXXWSPPMW-UHFFFAOYSA-N -1 2 337.297 3.154 20 0 EGADLM Cc1sc(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)[O-])c1C ZINC000106789270 605022265 /nfs/dbraw/zinc/02/22/65/605022265.db2.gz RAXATPPWGXIUFD-UHFFFAOYSA-N -1 2 329.374 3.003 20 0 EGADLM C[N@H+](Cc1cccc(Cl)c1O)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000188084446 1295434756 /nfs/dbraw/zinc/43/47/56/1295434756.db2.gz MLJPUALZNOHNNK-KRWDZBQOSA-N -1 2 344.842 3.279 20 0 EGADLM C[C@H]1[C@H](NC(=O)c2cccc(Cl)c2O)CC[N@@H+]1Cc1ccccc1 ZINC001141775519 1378373487 /nfs/dbraw/zinc/37/34/87/1378373487.db2.gz PXWAKSNDJRZYKO-SUMWQHHRSA-N -1 2 344.842 3.438 20 0 EGADLM Cc1oc(C)c(S(=O)(=O)Nc2cccc(C(F)F)c2)c1C(=O)[O-] ZINC000386367875 972048366 /nfs/dbraw/zinc/04/83/66/972048366.db2.gz XWFNWJVRULCSKG-UHFFFAOYSA-N -1 2 345.323 3.333 20 0 EGADLM O=C([O-])[C@H]1C[C@H](NC(=O)c2cccc(Cl)c2O)c2ccccc21 ZINC001594727330 957016503 /nfs/dbraw/zinc/01/65/03/957016503.db2.gz RNCFNWREGBEDSP-JSGCOSHPSA-N -1 2 331.755 3.089 20 0 EGADLM Cc1csc(C(=O)[O-])c1NS(=O)(=O)c1cc(F)ccc1Cl ZINC000097895862 958352671 /nfs/dbraw/zinc/35/26/71/958352671.db2.gz PPQCWSZEXXOHIV-UHFFFAOYSA-N -1 2 349.792 3.348 20 0 EGADLM CCc1ccccc1S(=O)(=O)Nc1scc(C(=O)[O-])c1C ZINC001597621994 988555726 /nfs/dbraw/zinc/55/57/26/988555726.db2.gz VCZCNTHHWHAQIJ-UHFFFAOYSA-N -1 2 325.411 3.118 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)sc1C(=O)[O-] ZINC000037238977 213136454 /nfs/dbraw/zinc/13/64/54/213136454.db2.gz KSTCYFRPOZXPGY-UHFFFAOYSA-N -1 2 349.792 3.348 20 0 EGADLM Cc1cccc2sc(NS(=O)(=O)c3cccc(C(=O)[O-])c3)nc21 ZINC000012536033 258054718 /nfs/dbraw/zinc/05/47/18/258054718.db2.gz ZWVMEZDVDZMTSK-UHFFFAOYSA-N -1 2 348.405 3.104 20 0 EGADLM Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2C)s1 ZINC000336848649 154217367 /nfs/dbraw/zinc/21/73/67/154217367.db2.gz LVZKRMVZJMJHRN-UHFFFAOYSA-N -1 2 325.411 3.172 20 0 EGADLM O=C([O-])c1cc(Cl)ccc1NS(=O)(=O)c1c(F)cccc1F ZINC000314511962 308765367 /nfs/dbraw/zinc/76/53/67/308765367.db2.gz PUCHRRIVASIOSZ-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM O=C(NCCc1csc(-c2ccccc2)n1)c1cccc2[nH]nnc21 ZINC000180143639 455139431 /nfs/dbraw/zinc/13/94/31/455139431.db2.gz MZYWRLSOZZARRE-UHFFFAOYSA-N -1 2 349.419 3.054 20 0 EGADLM CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2c(F)ccc(O)c2F)C1 ZINC000352923170 456415490 /nfs/dbraw/zinc/41/54/90/456415490.db2.gz GTSMCSIVGLHUDL-LBPRGKRZSA-N -1 2 327.371 3.224 20 0 EGADLM C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc(Cl)c2ccccc2c1O ZINC000436714367 458366563 /nfs/dbraw/zinc/36/65/63/458366563.db2.gz UAGMOAPZCFNIPH-RYUDHWBXSA-N -1 2 332.831 3.363 20 0 EGADLM Cn1ccnc1[C@H]([NH2+]Cc1cccc(O)c1Br)C1CC1 ZINC000459543851 458406132 /nfs/dbraw/zinc/40/61/32/458406132.db2.gz MYJANSACDWODSO-CQSZACIVSA-N -1 2 336.233 3.129 20 0 EGADLM Cn1ncc2c1nc(C[N@H+]1CC3(CCCC3)[C@@H]1c1ccccc1)[nH]c2=O ZINC000656635562 461815779 /nfs/dbraw/zinc/81/57/79/461815779.db2.gz ATMBMRACCIIFSR-KRWDZBQOSA-N -1 2 349.438 3.186 20 0 EGADLM CCc1ccc(S(=O)(=O)Nc2cc(C)c(C(=O)[O-])s2)cc1 ZINC000037404867 599875860 /nfs/dbraw/zinc/87/58/60/599875860.db2.gz XBEMYAXCCIIJRC-UHFFFAOYSA-N -1 2 325.411 3.118 20 0 EGADLM O=C([O-])c1cc(NC(=O)[C@@H]2CCCS2)c(Br)cc1F ZINC000833302011 600975159 /nfs/dbraw/zinc/97/51/59/600975159.db2.gz ZRQSKUIIUMJDGI-JTQLQIEISA-N -1 2 348.193 3.121 20 0 EGADLM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1cccc2cccnc21 ZINC000833741786 605127480 /nfs/dbraw/zinc/12/74/80/605127480.db2.gz WSXKWFBUCWTJRA-UHFFFAOYSA-N -1 2 348.405 3.104 20 0 EGADLM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccc(C)cc1F ZINC000833751024 605128414 /nfs/dbraw/zinc/12/84/14/605128414.db2.gz MXKDBKRIFYCZFB-UHFFFAOYSA-N -1 2 329.374 3.003 20 0 EGADLM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cccc(Cl)c1O)c1ccccc1 ZINC000833413321 605254944 /nfs/dbraw/zinc/25/49/44/605254944.db2.gz ZCRVCPBKRJJMEC-YGRLFVJLSA-N -1 2 333.771 3.237 20 0 EGADLM C[C@]1(NC(=O)C(F)(F)F)CC[N@@H+](C/C=C\c2ccc(Cl)cc2)C1 ZINC001197167710 1368758820 /nfs/dbraw/zinc/75/88/20/1368758820.db2.gz LQPJGPYAKZBQLH-GWQWAINWSA-N -1 2 346.780 3.496 20 0 EGADLM COC(=O)[C@H]1CC[N@@H+](Cc2ccc(O)c(F)c2F)[C@H]1c1ccccc1 ZINC001140894982 1378175304 /nfs/dbraw/zinc/17/53/04/1378175304.db2.gz JHTWLHMQEVAISX-KSSFIOAISA-N -1 2 347.361 3.407 20 0 EGADLM CCCc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000038058842 957353464 /nfs/dbraw/zinc/35/34/64/957353464.db2.gz BODLXYDXGVIGGR-UHFFFAOYSA-N -1 2 325.411 3.200 20 0 EGADLM C[C@@H](Sc1ccc(NS(=O)(=O)c2cccs2)cc1)C(=O)[O-] ZINC000349105799 156355165 /nfs/dbraw/zinc/35/51/65/156355165.db2.gz HJJXORLZWXUYHG-SECBINFHSA-N -1 2 343.451 3.114 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)sc1Cl ZINC000188446616 265680704 /nfs/dbraw/zinc/68/07/04/265680704.db2.gz NWMUPOKXISXPLD-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM CC(C)c1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccccc1F ZINC000511241134 312157189 /nfs/dbraw/zinc/15/71/89/312157189.db2.gz IYKMLMCZULKYGW-UHFFFAOYSA-N -1 2 337.372 3.448 20 0 EGADLM O=c1cc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)nc(C2CC2)[nH]1 ZINC000571517610 317210616 /nfs/dbraw/zinc/21/06/16/317210616.db2.gz MSKOHXYVRBEPRQ-NVXWUHKLSA-N -1 2 345.830 3.021 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2C)sc1C ZINC000091017087 454363350 /nfs/dbraw/zinc/36/33/50/454363350.db2.gz VYFGTRSFZPKMJH-UHFFFAOYSA-N -1 2 325.411 3.172 20 0 EGADLM CCOc1cc(C[N@@H+]2CCS[C@H](C)C2)cc(Br)c1O ZINC000459334723 458333593 /nfs/dbraw/zinc/33/35/93/458333593.db2.gz GYCDQQPDULWKTR-SNVBAGLBSA-N -1 2 346.290 3.491 20 0 EGADLM Cc1cc(F)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2C)cc1F ZINC000475745074 458962958 /nfs/dbraw/zinc/96/29/58/458962958.db2.gz BQYQIXSENHLKOJ-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)c1cccc2[nH]nnc21 ZINC000578593002 459225026 /nfs/dbraw/zinc/22/50/26/459225026.db2.gz LAPOREPMYSMSGK-GFCCVEGCSA-N -1 2 348.328 3.109 20 0 EGADLM C[C@H]1CCC[C@@H](OCC(=O)Nc2nc(-c3ccccc3F)n[nH]2)C1 ZINC000602936586 460192141 /nfs/dbraw/zinc/19/21/41/460192141.db2.gz KHIUCUKILPBERW-NWDGAFQWSA-N -1 2 332.379 3.145 20 0 EGADLM Cc1ccc(Cn2[nH]c3c(c2=O)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000656472343 461758337 /nfs/dbraw/zinc/75/83/37/461758337.db2.gz VSMSZZGITKDBFY-IBGZPJMESA-N -1 2 333.435 3.215 20 0 EGADLM CC(C)c1cnc(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)o1 ZINC000735932411 575738855 /nfs/dbraw/zinc/73/88/55/575738855.db2.gz KHYLPWUCIKDTES-UHFFFAOYSA-N -1 2 338.415 3.143 20 0 EGADLM O=C([O-])CCc1ccc(NC(=O)c2cc(-c3cccs3)n[nH]2)cc1 ZINC000238053106 599770849 /nfs/dbraw/zinc/77/08/49/599770849.db2.gz WYWUIFFDXZZPLT-UHFFFAOYSA-N -1 2 341.392 3.408 20 0 EGADLM Cc1ccc2[nH+]cc(C(=O)[O-])c(N3CCC[C@H](n4cc[nH+]c4)C3)c2c1 ZINC000910356269 1318614890 /nfs/dbraw/zinc/61/48/90/1318614890.db2.gz UURJXGCYBQMPRS-AWEZNQCLSA-N -1 2 336.395 3.279 20 0 EGADLM C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H](NC(=O)c2ncccc2O)C1 ZINC001010725836 1337247940 /nfs/dbraw/zinc/24/79/40/1337247940.db2.gz IMSDMMLHPWXALM-WFASDCNBSA-N -1 2 345.830 3.006 20 0 EGADLM O=C(c1ccccc1O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccsc1 ZINC001039515184 1345125275 /nfs/dbraw/zinc/12/52/75/1345125275.db2.gz SIKORGKZSPIHDA-IYBDPMFKSA-N -1 2 342.464 3.333 20 0 EGADLM O=C([O-])c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1O ZINC001595239383 949439645 /nfs/dbraw/zinc/43/96/45/949439645.db2.gz WWPUHKVAEJYVOJ-UHFFFAOYSA-N -1 2 331.755 3.337 20 0 EGADLM CC(C)Oc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000314650633 963785064 /nfs/dbraw/zinc/78/50/64/963785064.db2.gz CZQPYGNVIHMXPH-UHFFFAOYSA-N -1 2 341.410 3.034 20 0 EGADLM CCc1ccc(S(=O)(=O)Nc2cccc(CCC(=O)[O-])c2)s1 ZINC000317076415 970324146 /nfs/dbraw/zinc/32/41/46/970324146.db2.gz ZHLPUBDVNRIGAM-UHFFFAOYSA-N -1 2 339.438 3.129 20 0 EGADLM CCc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cc(F)ccc1F ZINC001597591754 988415728 /nfs/dbraw/zinc/41/57/28/988415728.db2.gz HSMYICKTWZKFMF-UHFFFAOYSA-N -1 2 341.335 3.026 20 0 EGADLM CSc1nc(NC(=O)c2ccc(C)c(Oc3cc[nH+]cc3)c2)n[nH]1 ZINC000554645923 315340661 /nfs/dbraw/zinc/34/06/61/315340661.db2.gz SZTWALNJNVNYHI-UHFFFAOYSA-N -1 2 341.396 3.275 20 0 EGADLM O=C([O-])c1csc(S(=O)(=O)Nc2cc(F)cc(Cl)c2)c1 ZINC000150750916 454886967 /nfs/dbraw/zinc/88/69/67/454886967.db2.gz IJLJSOHLRQXZHJ-UHFFFAOYSA-N -1 2 335.765 3.040 20 0 EGADLM C[N@@H+](Cc1cc(=O)oc2cc(O)c(Cl)cc12)C[C@@H]1CCCOC1 ZINC000284944480 455765308 /nfs/dbraw/zinc/76/53/08/455765308.db2.gz IWLRFSYUTPNSHR-NSHDSACASA-N -1 2 337.803 3.010 20 0 EGADLM C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc(Cl)c2ccccc2c1O ZINC000436714366 458366425 /nfs/dbraw/zinc/36/64/25/458366425.db2.gz UAGMOAPZCFNIPH-NWDGAFQWSA-N -1 2 332.831 3.363 20 0 EGADLM C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2cc(F)cc(Cl)c2O)C1 ZINC000436717065 458366683 /nfs/dbraw/zinc/36/66/83/458366683.db2.gz VZFNOJWTRZYSGZ-UHFFFAOYSA-N -1 2 348.805 3.141 20 0 EGADLM Cc1ccc(Cn2[nH]c3c(c2=O)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000656472344 461757639 /nfs/dbraw/zinc/75/76/39/461757639.db2.gz VSMSZZGITKDBFY-LJQANCHMSA-N -1 2 333.435 3.215 20 0 EGADLM C1=CC[C@@]2(CC1)CCCN(c1[nH+]c3c(cc1-c1nn[nH]n1)CCC3)C2 ZINC000735397207 575655837 /nfs/dbraw/zinc/65/58/37/575655837.db2.gz ABLCYJFHMBGYFO-LJQANCHMSA-N -1 2 336.443 3.077 20 0 EGADLM O=C([O-])C[C@@H](NC(=O)c1cc(F)cc(Cl)c1O)c1ccccc1 ZINC000833199430 604922035 /nfs/dbraw/zinc/92/20/35/604922035.db2.gz YTAPCOAICADQNV-CYBMUJFWSA-N -1 2 337.734 3.131 20 0 EGADLM O=C([O-])CCc1ccc(S(=O)(=O)Nc2cccc3ccoc32)cc1 ZINC001192141681 1367699751 /nfs/dbraw/zinc/69/97/51/1367699751.db2.gz FZOFJUACBMNIPS-UHFFFAOYSA-N -1 2 345.376 3.251 20 0 EGADLM CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC001197166997 1368758322 /nfs/dbraw/zinc/75/83/22/1368758322.db2.gz GJBDODLJLRWNNK-UKRRQHHQSA-N -1 2 332.341 3.420 20 0 EGADLM O=[P@@]([O-])(O)Oc1ccc(O[C@@H](c2cccnc2)C(F)(F)F)cc1 ZINC001234332288 1376812911 /nfs/dbraw/zinc/81/29/11/1376812911.db2.gz NRYDOWVRKIPPGT-LBPRGKRZSA-N -1 2 349.201 3.236 20 0 EGADLM O=[P@]([O-])(O)Oc1ccc(O[C@@H](c2cccnc2)C(F)(F)F)cc1 ZINC001234332288 1376812916 /nfs/dbraw/zinc/81/29/16/1376812916.db2.gz NRYDOWVRKIPPGT-LBPRGKRZSA-N -1 2 349.201 3.236 20 0 EGADLM CCOC(=O)C[C@@H]1CC[N@H+](Cc2ccc(O)c(F)c2F)C[C@H]1C ZINC001140894924 1378174540 /nfs/dbraw/zinc/17/45/40/1378174540.db2.gz GPGDVFWHMUHSEF-NEPJUHHUSA-N -1 2 327.371 3.082 20 0 EGADLM Cc1sc(NS(=O)(=O)c2cccc(C)c2)c(C(=O)[O-])c1C ZINC000106791065 958369803 /nfs/dbraw/zinc/36/98/03/958369803.db2.gz GKEJRIGENHGPMI-UHFFFAOYSA-N -1 2 325.411 3.172 20 0 EGADLM Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)c1 ZINC001259212725 960665374 /nfs/dbraw/zinc/66/53/74/960665374.db2.gz VQJKQIXSLJMQCH-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2cccc(CCC(=O)[O-])c2)sc1C ZINC000903013008 980951972 /nfs/dbraw/zinc/95/19/72/980951972.db2.gz WRVVVJDDJPVOEF-UHFFFAOYSA-N -1 2 339.438 3.183 20 0 EGADLM CSc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000316679062 154158611 /nfs/dbraw/zinc/15/86/11/154158611.db2.gz FKHOOXYQJLIJLR-UHFFFAOYSA-N -1 2 341.385 3.047 20 0 EGADLM C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cccc(O)c1Cl ZINC000293491749 308135535 /nfs/dbraw/zinc/13/55/35/308135535.db2.gz GPJZIDGAJMBCAT-UHFFFAOYSA-N -1 2 334.847 3.276 20 0 EGADLM Cc1ccc(F)c(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])c1 ZINC000386438183 324267499 /nfs/dbraw/zinc/26/74/99/324267499.db2.gz RYKKVYJFLZABIO-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)on1 ZINC000625660692 460232583 /nfs/dbraw/zinc/23/25/83/460232583.db2.gz ZZVYBBZYPQYKIN-GXTWGEPZSA-N -1 2 349.381 3.468 20 0 EGADLM Cn1ncc2c1nc(C[N@H+]1CC3(CCCC3)[C@H]1c1ccccc1)[nH]c2=O ZINC000656635563 461815919 /nfs/dbraw/zinc/81/59/19/461815919.db2.gz ATMBMRACCIIFSR-QGZVFWFLSA-N -1 2 349.438 3.186 20 0 EGADLM Cc1cc(NS(=O)(=O)c2c(F)cccc2Cl)cc(C(=O)[O-])c1 ZINC000507638522 548009977 /nfs/dbraw/zinc/00/99/77/548009977.db2.gz UJLUYRDDVNVWQC-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM CC(C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC000035426815 601357459 /nfs/dbraw/zinc/35/74/59/601357459.db2.gz CPCZPCCEBOHWRL-UHFFFAOYSA-N -1 2 325.411 3.371 20 0 EGADLM CCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000159963784 1294252816 /nfs/dbraw/zinc/25/28/16/1294252816.db2.gz WNXCBOCAFKXSIX-UHFFFAOYSA-N -1 2 341.335 3.026 20 0 EGADLM Cc1ccc(F)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000749140584 1299150966 /nfs/dbraw/zinc/15/09/66/1299150966.db2.gz AQZZOPCEJXJJFR-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM Cc1cccc(O[C@H]2CCC[N@H+](Cc3cc(F)c(O)c(F)c3)C2)n1 ZINC001140994593 1378204511 /nfs/dbraw/zinc/20/45/11/1378204511.db2.gz URSDJWIKNRUNMI-AWEZNQCLSA-N -1 2 334.366 3.417 20 0 EGADLM C[C@H](NC(=O)c1cc(F)cc(Cl)c1O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589115267 956091277 /nfs/dbraw/zinc/09/12/77/956091277.db2.gz PZCYVEOCKAXVCV-BKDNQFJXSA-N -1 2 343.782 3.050 20 0 EGADLM CC(C)(C)CC[C@H](NC(=O)c1cc(F)cc(Cl)c1O)C(=O)[O-] ZINC001588649507 959751686 /nfs/dbraw/zinc/75/16/86/959751686.db2.gz UVDVGHLNWJPTLT-NSHDSACASA-N -1 2 331.771 3.194 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2ccc(C)c(C)c2)sc1C(=O)[O-] ZINC000037225788 213136704 /nfs/dbraw/zinc/13/67/04/213136704.db2.gz QIWXHTZICAVEAL-UHFFFAOYSA-N -1 2 325.411 3.172 20 0 EGADLM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)s1 ZINC000530648605 313568016 /nfs/dbraw/zinc/56/80/16/313568016.db2.gz CHNXNEARZCWIPO-UHFFFAOYSA-N -1 2 345.829 3.463 20 0 EGADLM Cc1ccc(S(=O)(=O)Nc2c(C)ccc(F)c2C(=O)[O-])s1 ZINC000548202342 314985892 /nfs/dbraw/zinc/98/58/92/314985892.db2.gz INIXDBPMOKJZEF-UHFFFAOYSA-N -1 2 329.374 3.003 20 0 EGADLM CSCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000066588320 453853753 /nfs/dbraw/zinc/85/37/53/453853753.db2.gz WXMLBMZZDFCDQV-UHFFFAOYSA-N -1 2 343.451 3.110 20 0 EGADLM CCSc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000071091933 454198813 /nfs/dbraw/zinc/19/88/13/454198813.db2.gz RVFAIULYNBOZPR-UHFFFAOYSA-N -1 2 343.451 3.359 20 0 EGADLM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000047202382 454340538 /nfs/dbraw/zinc/34/05/38/454340538.db2.gz XFJSOBWNHQVCEU-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)[nH]cc3C(=O)[O-])c1F ZINC000180509735 455185872 /nfs/dbraw/zinc/18/58/72/455185872.db2.gz CRBVXLFXBJCJSJ-UHFFFAOYSA-N -1 2 348.355 3.114 20 0 EGADLM CCc1ccc(CC)c(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000435968262 458230848 /nfs/dbraw/zinc/23/08/48/458230848.db2.gz BCCZGOWTMCWOFK-UHFFFAOYSA-N -1 2 339.438 3.372 20 0 EGADLM CC1(C)C[C@@H](NC(=O)c2cccc3[nH]nnc32)c2cc(F)ccc2O1 ZINC000652820213 461368827 /nfs/dbraw/zinc/36/88/27/461368827.db2.gz WYXSPFHQZWIDCX-CQSZACIVSA-N -1 2 340.358 3.129 20 0 EGADLM Cc1cc(NS(=O)(=O)c2cccc3cccnc32)sc1C(=O)[O-] ZINC000738239798 576303867 /nfs/dbraw/zinc/30/38/67/576303867.db2.gz MHDBRONGNDECCA-UHFFFAOYSA-N -1 2 348.405 3.104 20 0 EGADLM O=C([O-])[C@H]1CC12CCN(C(=O)c1ccc(Cl)c(Cl)c1O)CC2 ZINC000739533674 576425580 /nfs/dbraw/zinc/42/55/80/576425580.db2.gz POGFIXUVYIZYKN-SECBINFHSA-N -1 2 344.194 3.026 20 0 EGADLM Cc1cc(NS(=O)(=O)c2ccc(C)cc2F)sc1C(=O)[O-] ZINC000404992272 599850209 /nfs/dbraw/zinc/85/02/09/599850209.db2.gz CXBCVUQZLDOQBE-UHFFFAOYSA-N -1 2 329.374 3.003 20 0 EGADLM Cc1cccc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000159939618 1294252160 /nfs/dbraw/zinc/25/21/60/1294252160.db2.gz GKXPOTFJDXCQPQ-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM CCOC(=O)[C@@H](C)[N@H+](Cc1cc(Br)ccc1O)C1CC1 ZINC000191709466 1295704069 /nfs/dbraw/zinc/70/40/69/1295704069.db2.gz BVFDINSEXFYKMY-SNVBAGLBSA-N -1 2 342.233 3.071 20 0 EGADLM Oc1cccc(C[N@@H+]2CC[C@]3(C2)CC(F)(F)CO3)c1Br ZINC001140553112 1378084332 /nfs/dbraw/zinc/08/43/32/1378084332.db2.gz VKSJVRASUCVIDP-CYBMUJFWSA-N -1 2 348.187 3.155 20 0 EGADLM Cc1cc(C)c(S(=O)(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)s1 ZINC000396451753 972892494 /nfs/dbraw/zinc/89/24/94/972892494.db2.gz RPDOYQXNGOGGDZ-LLVKDONJSA-N -1 2 339.438 3.354 20 0 EGADLM C[C@@H](NC(=O)c1cccc(Cl)c1O)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593175203 994043966 /nfs/dbraw/zinc/04/39/66/994043966.db2.gz HMYLXXGKQGKDNI-RISCZKNCSA-N -1 2 347.798 3.107 20 0 EGADLM C[C@H](NC(=O)c1cccc(Cl)c1O)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593175204 994044105 /nfs/dbraw/zinc/04/41/05/994044105.db2.gz HMYLXXGKQGKDNI-SMDDNHRTSA-N -1 2 347.798 3.107 20 0 EGADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(Cl)c(F)c2)c1 ZINC000037045534 213131668 /nfs/dbraw/zinc/13/16/68/213131668.db2.gz RTHKVSPDQOLUEE-UHFFFAOYSA-N -1 2 335.765 3.040 20 0 EGADLM Cc1cc(C)c(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])s1 ZINC000336847795 154217817 /nfs/dbraw/zinc/21/78/17/154217817.db2.gz GJXDIRIZAGUWAR-UHFFFAOYSA-N -1 2 329.374 3.003 20 0 EGADLM Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2C)s1 ZINC000315143956 308765801 /nfs/dbraw/zinc/76/58/01/308765801.db2.gz FORQGCPVLMSWLR-UHFFFAOYSA-N -1 2 325.411 3.172 20 0 EGADLM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1sc(C)cc1C ZINC000562382948 315826153 /nfs/dbraw/zinc/82/61/53/315826153.db2.gz ZIBJRNBIKTYLOX-UHFFFAOYSA-N -1 2 339.438 3.426 20 0 EGADLM Cc1cc(F)cc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1 ZINC000156367015 455110184 /nfs/dbraw/zinc/11/01/84/455110184.db2.gz YXENRMVEOUYLHH-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc(C)c1F ZINC000180516376 455187853 /nfs/dbraw/zinc/18/78/53/455187853.db2.gz LEGMPTVVYKBWTM-UHFFFAOYSA-N -1 2 337.372 3.196 20 0 EGADLM Cc1cc(F)cc2c(O)c(C(=O)N[C@@H](c3[nH]cc[nH+]3)C(C)C)cnc12 ZINC000282947992 456672265 /nfs/dbraw/zinc/67/22/65/456672265.db2.gz HTUJKSGLESVICA-CQSZACIVSA-N -1 2 342.374 3.238 20 0 EGADLM Cc1cc(F)c(S(=O)(=O)Nc2c(C)cccc2C(=O)[O-])cc1F ZINC000475737355 458963141 /nfs/dbraw/zinc/96/31/41/458963141.db2.gz CTMHWCGRKYXURE-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)s1 ZINC000035426826 601357545 /nfs/dbraw/zinc/35/75/45/601357545.db2.gz MNEAYDVELSPIQD-UHFFFAOYSA-N -1 2 335.765 3.040 20 0 EGADLM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccc2ncccc2c1 ZINC000833741244 605126375 /nfs/dbraw/zinc/12/63/75/605126375.db2.gz DLVNGCGCTUBXLO-UHFFFAOYSA-N -1 2 348.405 3.104 20 0 EGADLM C[N@H+](Cc1cccc(Cl)c1O)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000188084430 1295435263 /nfs/dbraw/zinc/43/52/63/1295435263.db2.gz MLJPUALZNOHNNK-QGZVFWFLSA-N -1 2 344.842 3.279 20 0 EGADLM Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1 ZINC000322476453 1297191454 /nfs/dbraw/zinc/19/14/54/1297191454.db2.gz IWNRVGGTAUMQML-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM COCC[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(F)c(O)cc1F)C2 ZINC001144650971 1378754884 /nfs/dbraw/zinc/75/48/84/1378754884.db2.gz GJSBZTORUUHECG-ACJLOTCBSA-N -1 2 341.398 3.078 20 0 EGADLM CC[C@@H](NC(=O)c1cc(-c2ccccc2)cc(Cl)c1O)C(=O)[O-] ZINC001593604820 953427519 /nfs/dbraw/zinc/42/75/19/953427519.db2.gz BEGLQRBBGBPEQV-CQSZACIVSA-N -1 2 333.771 3.306 20 0 EGADLM Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])s1 ZINC000035426944 957211617 /nfs/dbraw/zinc/21/16/17/957211617.db2.gz YKBONAGNNMHTML-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM Cc1csc(C(=O)[O-])c1S(=O)(=O)Nc1nc(C(C)C)cs1 ZINC000226472117 959883874 /nfs/dbraw/zinc/88/38/74/959883874.db2.gz SYRLXDQALKENBG-UHFFFAOYSA-N -1 2 346.455 3.135 20 0 EGADLM O=C(Nc1nc(-c2ccncc2)n[nH]1)c1cc(Cl)sc1Cl ZINC000364006662 144383506 /nfs/dbraw/zinc/38/35/06/144383506.db2.gz DICPVMCXZGEWNN-UHFFFAOYSA-N -1 2 340.195 3.487 20 0 EGADLM CC(C)c1cc(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)c(O)c(C(C)C)c1 ZINC000554758985 315347170 /nfs/dbraw/zinc/34/71/70/315347170.db2.gz XSEZGHTVZQKGHI-OAHLLOKOSA-N -1 2 348.487 3.090 20 0 EGADLM O=C(NCCCCn1cc[nH+]c1)c1c(O)cnc2ccc(Cl)cc21 ZINC000579736562 325153522 /nfs/dbraw/zinc/15/35/22/325153522.db2.gz DEHYYAXXMSHCCS-UHFFFAOYSA-N -1 2 344.802 3.001 20 0 EGADLM CC1CC[NH+](Cc2csc(NC(=O)c3cc(C4CC4)no3)n2)CC1 ZINC000282416637 456506717 /nfs/dbraw/zinc/50/67/17/456506717.db2.gz LIUMTDQADYJSIF-UHFFFAOYSA-N -1 2 346.456 3.493 20 0 EGADLM COc1c(C)cc(S(=O)(=O)Nc2cc3cn[nH]c3cc2C)cc1C ZINC000479116076 459122462 /nfs/dbraw/zinc/12/24/62/459122462.db2.gz RQKAWXMKEYWJDD-UHFFFAOYSA-N -1 2 345.424 3.298 20 0 EGADLM C[C@@](CNc1nc(C2CCCC2)ns1)(C(=O)[O-])c1ccccc1 ZINC000650776771 461948405 /nfs/dbraw/zinc/94/84/05/461948405.db2.gz IIOPSQGOPJIJHM-KRWDZBQOSA-N -1 2 331.441 3.072 20 0 EGADLM Cc1cc(NS(=O)(=O)c2ccc(Cl)s2)cc(C(=O)[O-])c1 ZINC000507568879 548008948 /nfs/dbraw/zinc/00/89/48/548008948.db2.gz UQIGNWCOLCGPFW-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM CC(C)c1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC000827134332 602115347 /nfs/dbraw/zinc/11/53/47/602115347.db2.gz RNKXPNHEUCWXSS-UHFFFAOYSA-N -1 2 325.411 3.371 20 0 EGADLM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1cc(-c2ccccc2)cc(Cl)c1O ZINC001605833852 972569767 /nfs/dbraw/zinc/56/97/67/972569767.db2.gz WPWMNDZDDYTQJE-BETUJISGSA-N -1 2 345.782 3.306 20 0 EGADLM CC(C)Oc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC001591795634 975999712 /nfs/dbraw/zinc/99/97/12/975999712.db2.gz ACUUHBMTWIEQKQ-UHFFFAOYSA-N -1 2 341.410 3.034 20 0 EGADLM CSCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000353025416 141287551 /nfs/dbraw/zinc/28/75/51/141287551.db2.gz IEBMTJKFRGOYAM-UHFFFAOYSA-N -1 2 343.451 3.110 20 0 EGADLM COc1ccc(-n2ccc(C[NH2+]Cc3cc(O)cc(F)c3)n2)cc1 ZINC000185516627 144113935 /nfs/dbraw/zinc/11/39/35/144113935.db2.gz UYHBUYQIEDTGQR-UHFFFAOYSA-N -1 2 327.359 3.015 20 0 EGADLM Cc1cc(C)c(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)s1 ZINC000315219388 154157049 /nfs/dbraw/zinc/15/70/49/154157049.db2.gz NVMGOSVMJNECBO-UHFFFAOYSA-N -1 2 329.374 3.003 20 0 EGADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cccc3[nH]ccc32)c1 ZINC000156316814 307831009 /nfs/dbraw/zinc/83/10/09/307831009.db2.gz ZONCKVLNSSZGCU-UHFFFAOYSA-N -1 2 348.355 3.114 20 0 EGADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2cccnc21 ZINC000390929802 308901246 /nfs/dbraw/zinc/90/12/46/308901246.db2.gz LFUOUDNSDHMODN-UHFFFAOYSA-N -1 2 348.405 3.104 20 0 EGADLM O=C([O-])c1csc(S(=O)(=O)Nc2cccc3c2CCCC3)c1 ZINC000013300074 453457124 /nfs/dbraw/zinc/45/71/24/453457124.db2.gz ZNTULFNDWFLRGK-UHFFFAOYSA-N -1 2 337.422 3.126 20 0 EGADLM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1cccc(Cl)c1F ZINC000047202366 454339918 /nfs/dbraw/zinc/33/99/18/454339918.db2.gz RPYJGXWYAJVGDU-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM Cc1cccc(NS(=O)(=O)c2cc(Cl)ccc2F)c1C(=O)[O-] ZINC000340740231 456659842 /nfs/dbraw/zinc/65/98/42/456659842.db2.gz NPCGFZPHYACPKN-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM Cc1cc(F)cc2c(O)c(C(=O)N[C@H](c3[nH]cc[nH+]3)C(C)C)cnc12 ZINC000282947987 456671999 /nfs/dbraw/zinc/67/19/99/456671999.db2.gz HTUJKSGLESVICA-AWEZNQCLSA-N -1 2 342.374 3.238 20 0 EGADLM Cc1cc(C)c(C(=O)[O-])c(NS(=O)(=O)c2ccc(F)cc2F)c1 ZINC000356472601 457006938 /nfs/dbraw/zinc/00/69/38/457006938.db2.gz BUHPIBGFTNXUTF-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM Cc1cccc(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)c1F ZINC000352476565 457396633 /nfs/dbraw/zinc/39/66/33/457396633.db2.gz UZPXRKZBUSUIEE-UHFFFAOYSA-N -1 2 332.285 3.450 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2cccc(C)c2C(=O)[O-])c(F)cc1F ZINC000361982713 457991251 /nfs/dbraw/zinc/99/12/51/457991251.db2.gz KXSFXHNPZJUAKI-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM CC[N@@H+]1CCCC[C@H]1C(=O)Nc1n[nH]c(-c2cc3ccccc3o2)n1 ZINC000362246293 458050954 /nfs/dbraw/zinc/05/09/54/458050954.db2.gz YQDWOJMVLZBUKB-ZDUSSCGKSA-N -1 2 339.399 3.031 20 0 EGADLM Cc1cc(NS(=O)(=O)c2cccc(F)c2C)sc1C(=O)[O-] ZINC000832898994 600672481 /nfs/dbraw/zinc/67/24/81/600672481.db2.gz AETQVLZXLCOHFE-UHFFFAOYSA-N -1 2 329.374 3.003 20 0 EGADLM O=C([O-])c1sc2ccccc2c1S(=O)(=O)Nc1ccsc1 ZINC000090866961 600683405 /nfs/dbraw/zinc/68/34/05/600683405.db2.gz BSHNGRRTZIPNEA-UHFFFAOYSA-N -1 2 339.419 3.462 20 0 EGADLM O=C([O-])c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)s1 ZINC000386408778 601358015 /nfs/dbraw/zinc/35/80/15/601358015.db2.gz MZXDQHISDNKJGN-UHFFFAOYSA-N -1 2 333.390 3.400 20 0 EGADLM Cc1sc(NS(=O)(=O)c2ccc(F)c(F)c2)c(C(=O)[O-])c1C ZINC000833758122 605022705 /nfs/dbraw/zinc/02/27/05/605022705.db2.gz NNVDICNUVRFVMV-UHFFFAOYSA-N -1 2 347.364 3.142 20 0 EGADLM COc1ccc([C@@H](CO)[N@H+](C)Cc2c(O)ccc(Cl)c2F)cc1 ZINC000191364312 1295673904 /nfs/dbraw/zinc/67/39/04/1295673904.db2.gz MVALONFJFIYPKY-OAHLLOKOSA-N -1 2 339.794 3.359 20 0 EGADLM CC(=O)c1ccc(O)c(CCOC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC000786876955 1305644317 /nfs/dbraw/zinc/64/43/17/1305644317.db2.gz BICPHHQWTXZWHY-SFHVURJKSA-N -1 2 345.439 3.088 20 0 EGADLM C[C@@]1(NC(=O)C(F)(F)F)CC[N@@H+](C/C=C/c2ccc(Cl)cc2)C1 ZINC001197167712 1368758478 /nfs/dbraw/zinc/75/84/78/1368758478.db2.gz LQPJGPYAKZBQLH-XYBNCVKDSA-N -1 2 346.780 3.496 20 0 EGADLM C[N@H+](CC=C(Cl)Cl)[C@H]1CCCN(C(=O)c2ccccc2O)C1 ZINC001317372386 1385106656 /nfs/dbraw/zinc/10/66/56/1385106656.db2.gz VYKHZSLJLNWXGC-LBPRGKRZSA-N -1 2 343.254 3.248 20 0 EGADLM CC1(C(=O)[O-])CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)C1 ZINC001593802877 996531494 /nfs/dbraw/zinc/53/14/94/996531494.db2.gz NFWDUYSERSJGPO-UHFFFAOYSA-N -1 2 345.782 3.259 20 0 EGADLM Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])s1 ZINC000111278920 162149993 /nfs/dbraw/zinc/14/99/93/162149993.db2.gz JCHKPDVZQJCWDT-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM Cc1[nH]c2ccc(NC(=O)c3c(C)nc(C(C)(C)C)[nH]c3=O)cc2[nH+]1 ZINC000354320530 166002374 /nfs/dbraw/zinc/00/23/74/166002374.db2.gz SANDJBJCUFOXAB-UHFFFAOYSA-N -1 2 339.399 3.225 20 0 EGADLM C[C@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2ccccc2F)cc1 ZINC000181773026 275209227 /nfs/dbraw/zinc/20/92/27/275209227.db2.gz VACKQIPRIVZLIM-LLVKDONJSA-N -1 2 337.372 3.205 20 0 EGADLM Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(F)ccc(O)c1F ZINC000294823249 308261188 /nfs/dbraw/zinc/26/11/88/308261188.db2.gz XSXRSFZQZIQBHY-OLZOCXBDSA-N -1 2 331.366 3.224 20 0 EGADLM Cc1cc(C)c(NS(=O)(=O)c2c(F)cccc2F)c(C(=O)[O-])c1 ZINC000320940499 308767542 /nfs/dbraw/zinc/76/75/42/308767542.db2.gz SSAJPFTXHBSWCN-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)s1 ZINC000037641998 453938443 /nfs/dbraw/zinc/93/84/43/453938443.db2.gz OKFGJWWVNZBHHX-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cccc(Cl)c1F ZINC000042122708 453996272 /nfs/dbraw/zinc/99/62/72/453996272.db2.gz TWWAXKTZUNQRHC-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM CC(C)(C)c1nc(=NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)s[nH]1 ZINC000393629562 457468453 /nfs/dbraw/zinc/46/84/53/457468453.db2.gz GMAOIAJHNOOFQP-OAHLLOKOSA-N -1 2 330.501 3.192 20 0 EGADLM Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1cccc(O)c1F ZINC000527002055 459575453 /nfs/dbraw/zinc/57/54/53/459575453.db2.gz MPNYSGXRGWXYCK-UHFFFAOYSA-N -1 2 335.285 3.106 20 0 EGADLM CO[C@H](CS(=O)(=O)[N-]c1ccc(F)c(F)c1O)C1CCCCC1 ZINC000656631655 461813506 /nfs/dbraw/zinc/81/35/06/461813506.db2.gz ODWGVEVYCYSGQJ-CYBMUJFWSA-N -1 2 349.399 3.007 20 0 EGADLM Cc1ccsc1S(=O)(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000738797890 576361769 /nfs/dbraw/zinc/36/17/69/576361769.db2.gz BZSFWOXBEGWETF-UHFFFAOYSA-N -1 2 330.362 3.086 20 0 EGADLM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cccc(Cl)c2O)C1 ZINC000833417014 605271253 /nfs/dbraw/zinc/27/12/53/605271253.db2.gz KDYOZGHMXHGATN-JTQLQIEISA-N -1 2 325.792 3.009 20 0 EGADLM CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])s2)cc1 ZINC000833506675 605302010 /nfs/dbraw/zinc/30/20/10/605302010.db2.gz KRKLZZVGQAFXQG-UHFFFAOYSA-N -1 2 341.410 3.034 20 0 EGADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(C3CC3)cc2)c1 ZINC000771605675 1303424906 /nfs/dbraw/zinc/42/49/06/1303424906.db2.gz QSZXMYMJFILWRE-UHFFFAOYSA-N -1 2 335.356 3.202 20 0 EGADLM Cc1nc([C@H](C)NC(=O)C(F)(F)c2cc(Cl)ccc2Cl)n[nH]1 ZINC000817604439 1319412706 /nfs/dbraw/zinc/41/27/06/1319412706.db2.gz WYKWRRKDGNXXHW-LURJTMIESA-N -1 2 349.168 3.389 20 0 EGADLM C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@@H](NC(=O)c2ncccc2O)C1 ZINC001010725828 1337248077 /nfs/dbraw/zinc/24/80/77/1337248077.db2.gz IMSDMMLHPWXALM-IUODEOHRSA-N -1 2 345.830 3.006 20 0 EGADLM CSc1ccccc1NS(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000037239025 213136421 /nfs/dbraw/zinc/13/64/21/213136421.db2.gz CDPNRJNGFNAOJX-UHFFFAOYSA-N -1 2 343.451 3.277 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])sc1Cl ZINC000231806577 266206285 /nfs/dbraw/zinc/20/62/85/266206285.db2.gz BENPOPFZXQOBTI-UHFFFAOYSA-N -1 2 349.792 3.348 20 0 EGADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc3[nH]ccc3c2)c1 ZINC000156283385 307830196 /nfs/dbraw/zinc/83/01/96/307830196.db2.gz RCCFVWLNFYIHNM-UHFFFAOYSA-N -1 2 348.355 3.114 20 0 EGADLM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)s1 ZINC000006623224 452959919 /nfs/dbraw/zinc/95/99/19/452959919.db2.gz PTCKPRAQBQQHDU-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2ccc(C)c(C(=O)[O-])c2)sc1C ZINC000091018251 454363371 /nfs/dbraw/zinc/36/33/71/454363371.db2.gz ZZNRBFSYNHVACO-UHFFFAOYSA-N -1 2 325.411 3.172 20 0 EGADLM CCOC(=O)C1CC[NH+](Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000290348396 456300823 /nfs/dbraw/zinc/30/08/23/456300823.db2.gz FIMYJHNQHYPIOC-UHFFFAOYSA-N -1 2 331.334 3.186 20 0 EGADLM Cc1cccc2[nH]c(C[NH+]3CCN(C(=O)c4ccccc4O)CC3)cc21 ZINC000667531963 462127876 /nfs/dbraw/zinc/12/78/76/462127876.db2.gz XRLDWGVXRFOAOW-UHFFFAOYSA-N -1 2 349.434 3.140 20 0 EGADLM Cc1cc(NS(=O)(=O)c2cc(C)c(F)c(C)c2)sc1C(=O)[O-] ZINC000738463279 574694731 /nfs/dbraw/zinc/69/47/31/574694731.db2.gz KCPAKZSFWVCPAI-UHFFFAOYSA-N -1 2 343.401 3.311 20 0 EGADLM C(=Cc1ccc2ccccc2n1)c1c[nH+]c2ccc(-c3nn[nH]n3)cn12 ZINC000735401072 575656877 /nfs/dbraw/zinc/65/68/77/575656877.db2.gz XDKUNJKSAOXORN-HJWRWDBZSA-N -1 2 339.362 3.233 20 0 EGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(-n3cccc3)c2)s1 ZINC000391042915 599747149 /nfs/dbraw/zinc/74/71/49/599747149.db2.gz GAKYAEULDJVNLN-UHFFFAOYSA-N -1 2 348.405 3.038 20 0 EGADLM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2O)C1 ZINC000833418291 605002305 /nfs/dbraw/zinc/00/23/05/605002305.db2.gz MCZJMONNMWVJHW-VIFPVBQESA-N -1 2 343.782 3.148 20 0 EGADLM Cc1ccc(F)c(S(=O)(=O)Nc2ccc(NC(=O)[O-])c(F)c2)c1 ZINC000833749208 605265462 /nfs/dbraw/zinc/26/54/62/605265462.db2.gz DPDMOQVDWVUBOM-UHFFFAOYSA-N -1 2 342.323 3.164 20 0 EGADLM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cccc(Cl)c1O ZINC000775651664 1304005456 /nfs/dbraw/zinc/00/54/56/1304005456.db2.gz PZNDQLMNQMNWCB-UHFFFAOYSA-N -1 2 349.799 3.028 20 0 EGADLM O=C([O-])c1ccc(NC(=O)c2c(O)cc(Cl)cc2Cl)nc1 ZINC001595237196 949419853 /nfs/dbraw/zinc/41/98/53/949419853.db2.gz VAODVSQNMNOCRJ-UHFFFAOYSA-N -1 2 327.123 3.045 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(F)c2)sc1C(=O)[O-] ZINC000037045517 213131597 /nfs/dbraw/zinc/13/15/97/213131597.db2.gz VGKSBVYZEFWJRH-UHFFFAOYSA-N -1 2 349.792 3.348 20 0 EGADLM C[C@@H](CNCc1c(F)ccc(O)c1F)[N@H+]1CCc2ccccc2C1 ZINC000352296548 165331206 /nfs/dbraw/zinc/33/12/06/165331206.db2.gz FPPACVBALXWEDN-ZDUSSCGKSA-N -1 2 332.394 3.207 20 0 EGADLM Cn1cc[nH+]c1-c1cccc(NC(=O)c2c[nH]nc2-c2ccncc2)c1 ZINC000355330286 166166131 /nfs/dbraw/zinc/16/61/31/166166131.db2.gz DYNMVXXKQADPHH-UHFFFAOYSA-N -1 2 344.378 3.125 20 0 EGADLM Cc1cc(=O)[nH]c([C@@H](C)[N@H+](C)Cc2ccc(Br)cc2)n1 ZINC000177913312 265286545 /nfs/dbraw/zinc/28/65/45/265286545.db2.gz JHIHXYCQJOGCCY-LLVKDONJSA-N -1 2 336.233 3.446 20 0 EGADLM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(Cl)s1 ZINC000014097319 453505483 /nfs/dbraw/zinc/50/54/83/453505483.db2.gz CXJMLGJVDGKRNH-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000015243521 453562358 /nfs/dbraw/zinc/56/23/58/453562358.db2.gz GIOYFDZRRSFTKX-UHFFFAOYSA-N -1 2 335.765 3.040 20 0 EGADLM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1F ZINC000229619976 456128825 /nfs/dbraw/zinc/12/88/25/456128825.db2.gz DSLTTZCULKYCRG-UHFFFAOYSA-N -1 2 335.765 3.040 20 0 EGADLM CCc1ccc(CC)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000433520959 457844247 /nfs/dbraw/zinc/84/42/47/457844247.db2.gz JYMAVTUDPZHKIG-UHFFFAOYSA-N -1 2 349.408 3.016 20 0 EGADLM O=C([O-])c1cccc(NS(=O)(=O)c2csc3ccccc32)c1O ZINC000436568810 458334406 /nfs/dbraw/zinc/33/44/06/458334406.db2.gz ZOZMKXZQDXYUJO-UHFFFAOYSA-N -1 2 349.389 3.106 20 0 EGADLM CC(C)(C)c1ccc(OCCNC(=O)c2cccc3[nH]nnc32)cc1 ZINC000540963308 459411865 /nfs/dbraw/zinc/41/18/65/459411865.db2.gz AJQAPKDDUXDYJD-UHFFFAOYSA-N -1 2 338.411 3.064 20 0 EGADLM CC[C@@H](Cc1ccc(NS(=O)(=O)c2cccs2)cc1)C(=O)[O-] ZINC000184904392 535772076 /nfs/dbraw/zinc/77/20/76/535772076.db2.gz AATGKVDCBPVWSX-LBPRGKRZSA-N -1 2 339.438 3.202 20 0 EGADLM CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccnc1Cl ZINC000735874930 575726126 /nfs/dbraw/zinc/72/61/26/575726126.db2.gz WMJGAXYXONKOJY-UHFFFAOYSA-N -1 2 342.834 3.326 20 0 EGADLM CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccnc1Cl ZINC000735874930 575726128 /nfs/dbraw/zinc/72/61/28/575726128.db2.gz WMJGAXYXONKOJY-UHFFFAOYSA-N -1 2 342.834 3.326 20 0 EGADLM Cn1c2ccccc2[nH+]c1CCSc1ccc(-c2nn[nH]n2)cc1 ZINC000737594317 576251917 /nfs/dbraw/zinc/25/19/17/576251917.db2.gz XYZNXUJLERFRKX-UHFFFAOYSA-N -1 2 336.424 3.088 20 0 EGADLM Cc1cc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(C(=O)[O-])[nH]1 ZINC000163441794 600175867 /nfs/dbraw/zinc/17/58/67/600175867.db2.gz BXTNPIAKNYQDCS-UHFFFAOYSA-N -1 2 349.195 3.129 20 0 EGADLM O=C([O-])c1cc(Cl)cc(NS(=O)(=O)c2ccc(F)cc2F)c1 ZINC000388919216 600636092 /nfs/dbraw/zinc/63/60/92/600636092.db2.gz VGOFDUULPBPCKY-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM Cc1cc(F)c(S(=O)(=O)Nc2ccc(NC(=O)[O-])cc2)cc1F ZINC000830055489 604935678 /nfs/dbraw/zinc/93/56/78/604935678.db2.gz SSJVMEBIGIORSG-UHFFFAOYSA-N -1 2 342.323 3.164 20 0 EGADLM Cc1sc(NS(=O)(=O)c2cccc(F)c2C)c(C(=O)[O-])c1C ZINC000833757944 605302927 /nfs/dbraw/zinc/30/29/27/605302927.db2.gz FCGIDROXWGHRDH-UHFFFAOYSA-N -1 2 343.401 3.311 20 0 EGADLM Cc1ccc2[nH+]cc(C(=O)[O-])c(N3CCC[C@@H](n4cc[nH+]c4)C3)c2c1 ZINC000910356271 1318615220 /nfs/dbraw/zinc/61/52/20/1318615220.db2.gz UURJXGCYBQMPRS-CQSZACIVSA-N -1 2 336.395 3.279 20 0 EGADLM O=S(=O)(CCCF)Nc1cc(Cl)c(Cl)c(Cl)c1[O-] ZINC001189921801 1367131592 /nfs/dbraw/zinc/13/15/92/1367131592.db2.gz XWLZWXXEBLAJNU-UHFFFAOYSA-N -1 2 336.599 3.454 20 0 EGADLM O=S(=O)(Nc1ccc([S-])cc1)c1c(Cl)nc2sccn21 ZINC001187135953 1388057709 /nfs/dbraw/zinc/05/77/09/1388057709.db2.gz DNTAKFOHVQCWMH-UHFFFAOYSA-N -1 2 345.858 3.139 20 0 EGADLM S=c1nc(-c2ccccn2)[nH]n1C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001328598779 1388787083 /nfs/dbraw/zinc/78/70/83/1388787083.db2.gz SLSJPAKVRCRBNP-ZIAGYGMSSA-N -1 2 329.473 3.472 20 0 EGADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(Cl)c(F)c2)c1 ZINC000387301775 972115788 /nfs/dbraw/zinc/11/57/88/972115788.db2.gz NOLYHYINMIKOFL-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM Cc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259212576 960666020 /nfs/dbraw/zinc/66/60/20/960666020.db2.gz TVYMHVRPAADAAU-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM Cc1cc(C)c(S(=O)(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)s1 ZINC000320636132 970689187 /nfs/dbraw/zinc/68/91/87/970689187.db2.gz GXYLFQJHBFHLIS-UHFFFAOYSA-N -1 2 347.364 3.142 20 0 EGADLM CC(C)(C)c1cnc(NS(=O)(=O)c2csc(C(=O)[O-])c2)s1 ZINC001590526826 990138020 /nfs/dbraw/zinc/13/80/20/990138020.db2.gz JTUJNHGVNOLFMJ-UHFFFAOYSA-N -1 2 346.455 3.001 20 0 EGADLM CCc1ccc(S(=O)(=O)Nc2ccc(C)c(C(=O)[O-])c2)s1 ZINC000110988563 162140694 /nfs/dbraw/zinc/14/06/94/162140694.db2.gz JNQXPOAHVIYLIJ-UHFFFAOYSA-N -1 2 325.411 3.118 20 0 EGADLM Cc1cc(Cl)cc(C[NH+]2CCN(C(=O)c3cccc(O)c3)CC2)c1 ZINC000351260462 165092239 /nfs/dbraw/zinc/09/22/39/165092239.db2.gz LLKQUUCBBDILEH-UHFFFAOYSA-N -1 2 344.842 3.312 20 0 EGADLM Cc1ccc2sc(C[N@@H+]3CCC[C@@H](C4N=NC(=O)O4)C3)nc2c1 ZINC000528491864 313103879 /nfs/dbraw/zinc/10/38/79/313103879.db2.gz FPBAOURCIRHROH-LLVKDONJSA-N -1 2 330.413 3.073 20 0 EGADLM Cc1c(Cl)cccc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000015243280 453561928 /nfs/dbraw/zinc/56/19/28/453561928.db2.gz MJPLOPJAIBAMGM-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1cccc(Cl)c1F ZINC000058405032 454198437 /nfs/dbraw/zinc/19/84/37/454198437.db2.gz XNMFXELJCTXYOL-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM COc1cccc(C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)c1O ZINC000161532166 455578787 /nfs/dbraw/zinc/57/87/87/455578787.db2.gz JLVNYIVBDVJPMG-UHFFFAOYSA-N -1 2 327.340 3.253 20 0 EGADLM Cn1cc[nH+]c1[C@H]1N(C(=O)c2cc3c(cc2O)CCCC3)CC1(C)C ZINC000296321242 455908686 /nfs/dbraw/zinc/90/86/86/455908686.db2.gz RVDWBTOTHHSKGO-QGZVFWFLSA-N -1 2 339.439 3.228 20 0 EGADLM CC(C)c1nc([C@@H]2CCCCN2C(=O)c2c(O)cccc2F)n[nH]1 ZINC000291782730 456755576 /nfs/dbraw/zinc/75/55/76/456755576.db2.gz GGAAHIQFGTZUGJ-LBPRGKRZSA-N -1 2 332.379 3.140 20 0 EGADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc3ccoc3c2)c1 ZINC000442839527 459044369 /nfs/dbraw/zinc/04/43/69/459044369.db2.gz SZTMBTRBPIEAOR-UHFFFAOYSA-N -1 2 349.339 3.379 20 0 EGADLM C[C@](CO)([NH2+]Cc1cc(O)ccc1Br)c1ccccc1 ZINC000315111460 547465379 /nfs/dbraw/zinc/46/53/79/547465379.db2.gz LLJZQKHQDTXFKZ-MRXNPFEDSA-N -1 2 336.229 3.152 20 0 EGADLM O=[P@@]([O-])(O)c1ccc(-c2ccc(OCc3ccccc3)nc2)cc1 ZINC001204765383 1370570573 /nfs/dbraw/zinc/57/05/73/1370570573.db2.gz WPHNFRMSHNAGAO-UHFFFAOYSA-N -1 2 341.303 3.131 20 0 EGADLM O=[P@]([O-])(O)c1ccc(-c2ccc(OCc3ccccc3)nc2)cc1 ZINC001204765383 1370570577 /nfs/dbraw/zinc/57/05/77/1370570577.db2.gz WPHNFRMSHNAGAO-UHFFFAOYSA-N -1 2 341.303 3.131 20 0 EGADLM C[C@@H]([NH2+]Cc1cc(OCC(F)F)ccn1)c1cccc(O)c1F ZINC001332280009 1390075063 /nfs/dbraw/zinc/07/50/63/1390075063.db2.gz YBUVWKWRLHJRIC-SNVBAGLBSA-N -1 2 326.318 3.421 20 0 EGADLM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2cccc(Cl)c2O)c2ccccc21 ZINC001594727333 957016094 /nfs/dbraw/zinc/01/60/94/957016094.db2.gz RNCFNWREGBEDSP-TZMCWYRMSA-N -1 2 331.755 3.089 20 0 EGADLM Cc1csc(C(=O)[O-])c1NS(=O)(=O)c1cc(C)ccc1F ZINC000128322725 958658623 /nfs/dbraw/zinc/65/86/23/958658623.db2.gz XITCTZOEIZYIFN-UHFFFAOYSA-N -1 2 329.374 3.003 20 0 EGADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)s1 ZINC000314684917 963790196 /nfs/dbraw/zinc/79/01/96/963790196.db2.gz HXDSVDUJJPLDRC-UHFFFAOYSA-N -1 2 333.390 3.400 20 0 EGADLM Cc1c(NS(=O)(=O)c2c(F)cccc2Cl)cccc1C(=O)[O-] ZINC000125976120 162290637 /nfs/dbraw/zinc/29/06/37/162290637.db2.gz PTNLRUAASUIWNA-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM Cc1ccc(F)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000057177987 454109552 /nfs/dbraw/zinc/10/95/52/454109552.db2.gz XJKHPRVUNVUGHY-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2c(C)cccc2C(=O)[O-])sc1C ZINC000091013962 454362249 /nfs/dbraw/zinc/36/22/49/454362249.db2.gz SNSRILYJQHLKQE-UHFFFAOYSA-N -1 2 325.411 3.172 20 0 EGADLM Cc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2C(=O)[O-])s1 ZINC000356489521 457017994 /nfs/dbraw/zinc/01/79/94/457017994.db2.gz ZLGPJTOBAMYYQO-UHFFFAOYSA-N -1 2 325.411 3.172 20 0 EGADLM CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@@H]2c2ccc(OC)c(F)c2)n1 ZINC000661659491 462353126 /nfs/dbraw/zinc/35/31/26/462353126.db2.gz ZXMWJOMULDHFHX-OAHLLOKOSA-N -1 2 331.391 3.229 20 0 EGADLM O=C([O-])CC1CCN(C(=O)c2ccc(Cl)c(Cl)c2O)CC1 ZINC000738563718 574808354 /nfs/dbraw/zinc/80/83/54/574808354.db2.gz PBDXHEIMVBVFOR-UHFFFAOYSA-N -1 2 332.183 3.026 20 0 EGADLM CSCc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000738197103 574929166 /nfs/dbraw/zinc/92/91/66/574929166.db2.gz YIDSCEWZSZBAFR-UHFFFAOYSA-N -1 2 343.451 3.110 20 0 EGADLM Cc1ccc(F)c(S(=O)(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000738606477 574963009 /nfs/dbraw/zinc/96/30/09/574963009.db2.gz BREKXNKDJBNZKQ-UHFFFAOYSA-N -1 2 342.323 3.164 20 0 EGADLM Cc1ccc(S(=O)(=O)Nc2ccc(F)c(NC(=O)[O-])c2)s1 ZINC000738654492 576346955 /nfs/dbraw/zinc/34/69/55/576346955.db2.gz ARKNQGZZEQPYQN-UHFFFAOYSA-N -1 2 330.362 3.086 20 0 EGADLM Cc1ccc(NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])cn1 ZINC000322729643 604404201 /nfs/dbraw/zinc/40/42/01/604404201.db2.gz VRNAMEKFLLFDSN-UHFFFAOYSA-N -1 2 348.405 3.104 20 0 EGADLM CC(C)C[C@H](NC(=O)[O-])C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000833479388 604779320 /nfs/dbraw/zinc/77/93/20/604779320.db2.gz LVQUOLFEEKYFJF-JTQLQIEISA-N -1 2 335.187 3.320 20 0 EGADLM S=c1nc(-c2ccccn2)[nH]n1C[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000817369706 1319342608 /nfs/dbraw/zinc/34/26/08/1319342608.db2.gz BBNDWZWIHLKOGK-CQSZACIVSA-N -1 2 329.473 3.472 20 0 EGADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccoc2)c(Cl)cc1Cl ZINC001192408148 1367776057 /nfs/dbraw/zinc/77/60/57/1367776057.db2.gz XHRQJESYPFQLBM-UHFFFAOYSA-N -1 2 336.152 3.085 20 0 EGADLM Cc1csc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC001187547975 1388124629 /nfs/dbraw/zinc/12/46/29/1388124629.db2.gz JDCQNKISZWDVMV-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc3ccccc3c2)c1 ZINC000007230464 956882057 /nfs/dbraw/zinc/88/20/57/956882057.db2.gz KVDSKUJXWRIRHD-UHFFFAOYSA-N -1 2 345.351 3.478 20 0 EGADLM CCc1cccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000037238778 213136578 /nfs/dbraw/zinc/13/65/78/213136578.db2.gz UNAKSNRJNVDAQY-UHFFFAOYSA-N -1 2 325.411 3.118 20 0 EGADLM O=C([O-])c1ccc(NS(=O)(=O)c2cccc(Cl)c2F)cc1F ZINC000336865466 154221044 /nfs/dbraw/zinc/22/10/44/154221044.db2.gz UNRSBJQYUYYTDE-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM COc1ccc(C[N@@H+]2CCSC(C)(C)C2)c(Br)c1O ZINC000355372480 166177934 /nfs/dbraw/zinc/17/79/34/166177934.db2.gz RNYANGLZHXPSBQ-UHFFFAOYSA-N -1 2 346.290 3.491 20 0 EGADLM Cc1cccc(NS(=O)(=O)c2ccc(Cl)cc2F)c1C(=O)[O-] ZINC000078756521 264634578 /nfs/dbraw/zinc/63/45/78/264634578.db2.gz SBOUMEUWXSUZKK-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM Cc1cccc2c(=O)c(C(=O)N3CCC[C@@H]3[C@@H]3CCCO3)c[nH]c12 ZINC000288395533 276209562 /nfs/dbraw/zinc/20/95/62/276209562.db2.gz LWQLGYWWCFVMFI-CVEARBPZSA-N -1 2 326.396 3.032 20 0 EGADLM Cc1cccc2c(=O)c(C(=O)N3CCCO[C@@H](C(C)C)C3)c[nH]c12 ZINC000295506150 308333806 /nfs/dbraw/zinc/33/38/06/308333806.db2.gz FBJICGZFDBPZNI-MRXNPFEDSA-N -1 2 328.412 3.136 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C)c2)sc1C ZINC000091017121 454363152 /nfs/dbraw/zinc/36/31/52/454363152.db2.gz QEBQJVIHBZWZHH-UHFFFAOYSA-N -1 2 325.411 3.172 20 0 EGADLM Cc1cc(NS(=O)(=O)c2cccc(Cl)c2F)ccc1C(=O)[O-] ZINC000066290272 454678611 /nfs/dbraw/zinc/67/86/11/454678611.db2.gz ADIYMHOSSADDNU-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM Cc1cc(Cl)cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)c1O ZINC000372268217 458255778 /nfs/dbraw/zinc/25/57/78/458255778.db2.gz WLBNWZGOGDYCKK-MRXNPFEDSA-N -1 2 345.830 3.352 20 0 EGADLM CCOC(=O)C(C)(C)[N@@H+](C)Cc1cc(Cl)c(O)c(OCC)c1 ZINC000459348912 458338082 /nfs/dbraw/zinc/33/80/82/458338082.db2.gz NFGGIGZWGWKFRE-UHFFFAOYSA-N -1 2 329.824 3.218 20 0 EGADLM C[C@H]1CCC[C@H](OCC(=O)Nc2nc(-c3ccccc3F)n[nH]2)C1 ZINC000602936587 460192528 /nfs/dbraw/zinc/19/25/28/460192528.db2.gz KHIUCUKILPBERW-RYUDHWBXSA-N -1 2 332.379 3.145 20 0 EGADLM C[C@@H](NC(=O)c1cccc2[nH]nnc21)c1cccc(C(F)(F)F)c1 ZINC000182673315 547083629 /nfs/dbraw/zinc/08/36/29/547083629.db2.gz VOZPPDJCNLKMMS-SECBINFHSA-N -1 2 334.301 3.468 20 0 EGADLM O=C([O-])c1cc(Cl)cc(NS(=O)(=O)c2cc(F)ccc2F)c1 ZINC000317033941 600637399 /nfs/dbraw/zinc/63/73/99/600637399.db2.gz TXHGMJSQVMSHFL-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM Cc1ccc(S(=O)(=O)Nc2nc(C(C)C)cs2)cc1C(=O)[O-] ZINC000314633257 600827094 /nfs/dbraw/zinc/82/70/94/600827094.db2.gz JIBYXHAAJURLRW-UHFFFAOYSA-N -1 2 340.426 3.074 20 0 EGADLM O=C([O-])c1ccc2c(c1)CN(C(=O)c1cc(F)cc(Cl)c1O)C2 ZINC000833325246 604264456 /nfs/dbraw/zinc/26/44/56/604264456.db2.gz NBOIQPCHTXCWSV-UHFFFAOYSA-N -1 2 335.718 3.039 20 0 EGADLM CCOC(=O)C[C@H]1CC[N@H+](Cc2ccc(O)c(F)c2F)C[C@H]1C ZINC001140894927 1378174931 /nfs/dbraw/zinc/17/49/31/1378174931.db2.gz GPGDVFWHMUHSEF-VXGBXAGGSA-N -1 2 327.371 3.082 20 0 EGADLM O=C(N=c1cc[nH]cc1C(F)(F)F)c1c([O-])cc2ccccc2c1O ZINC001154019610 1380181938 /nfs/dbraw/zinc/18/19/38/1380181938.db2.gz RRAYQUUSECRUKB-UHFFFAOYSA-N -1 2 348.280 3.339 20 0 EGADLM Cc1nc(C(C)(C)NCc2cccc(-c3nn[n-]n3)c2F)sc1C ZINC000826323342 1426746921 /nfs/dbraw/zinc/74/69/21/1426746921.db2.gz APIAYSCERUHKAP-UHFFFAOYSA-N -1 2 346.435 3.104 20 0 EGADLM Cc1nc(C(C)(C)NCc2cccc(-c3nnn[n-]3)c2F)sc1C ZINC000826323342 1426746931 /nfs/dbraw/zinc/74/69/31/1426746931.db2.gz APIAYSCERUHKAP-UHFFFAOYSA-N -1 2 346.435 3.104 20 0 EGADLM O=C([O-])c1ccc(Cl)cc1NS(=O)(=O)c1ccc(F)cc1F ZINC000013342162 957027974 /nfs/dbraw/zinc/02/79/74/957027974.db2.gz LVAKHKNFOLBVCS-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM Cc1[nH+]ccn1CCCC[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000372428800 157328721 /nfs/dbraw/zinc/32/87/21/157328721.db2.gz RNDQBMFENHARRN-UHFFFAOYSA-N -1 2 341.455 3.272 20 0 EGADLM Cc1cc(F)c(S(=O)(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1F ZINC000355788046 166309606 /nfs/dbraw/zinc/30/96/06/166309606.db2.gz UFWMUSHZANXWSO-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1C1CC1 ZINC000359092775 167064638 /nfs/dbraw/zinc/06/46/38/167064638.db2.gz YCFDOQVAZUCIIP-UHFFFAOYSA-N -1 2 337.422 3.433 20 0 EGADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc(C)c(F)c2)c1 ZINC000156260046 307829831 /nfs/dbraw/zinc/82/98/31/307829831.db2.gz UAYCTXMVZBYHGV-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM CCc1nocc1C[N@H+](C)Cc1cc(=O)oc2cc(O)c(CC)cc12 ZINC000293497680 308136233 /nfs/dbraw/zinc/13/62/33/308136233.db2.gz UEUSINPINAYGEJ-UHFFFAOYSA-N -1 2 342.395 3.243 20 0 EGADLM Cc1csc(S(=O)(=O)Nc2ccc([C@@H](C)CC(=O)[O-])cc2)c1 ZINC000451034118 310156973 /nfs/dbraw/zinc/15/69/73/310156973.db2.gz CGQVLKYDVRLSGI-NSHDSACASA-N -1 2 339.438 3.436 20 0 EGADLM CCc1ccc(S(=O)(=O)Nc2c(C)ccc(F)c2C(=O)[O-])s1 ZINC000548537475 315022288 /nfs/dbraw/zinc/02/22/88/315022288.db2.gz YJZKMGXNCOBNRB-UHFFFAOYSA-N -1 2 343.401 3.257 20 0 EGADLM O=C([O-])C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)c1nc2ccccc2o1 ZINC000026764152 453805178 /nfs/dbraw/zinc/80/51/78/453805178.db2.gz LYVIWVLGSAMBAL-XFFZJAGNSA-N -1 2 340.291 3.457 20 0 EGADLM O=C([O-])CC1(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)CCCCC1 ZINC000029004423 453825795 /nfs/dbraw/zinc/82/57/95/453825795.db2.gz CULZYJAWTGWMFL-UHFFFAOYSA-N -1 2 336.344 3.054 20 0 EGADLM CCc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C)c2)s1 ZINC000044750118 454117582 /nfs/dbraw/zinc/11/75/82/454117582.db2.gz GBZOJRXIEYSRHV-UHFFFAOYSA-N -1 2 325.411 3.118 20 0 EGADLM Cc1c(NS(=O)(=O)c2ccc(Cl)s2)cccc1C(=O)[O-] ZINC000059880786 454263575 /nfs/dbraw/zinc/26/35/75/454263575.db2.gz HAHVSKPOVZIUJR-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM Cc1ccc(-c2cc(C(=O)N3C[C@@H](C(=O)[O-])c4ccccc43)[nH]n2)cc1 ZINC000192951185 455724984 /nfs/dbraw/zinc/72/49/84/455724984.db2.gz IMHZAONUHOBHCT-OAHLLOKOSA-N -1 2 347.374 3.214 20 0 EGADLM Oc1cc(F)cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282433449 456512069 /nfs/dbraw/zinc/51/20/69/456512069.db2.gz FKRDKXBVHHCHSU-OAHLLOKOSA-N -1 2 329.419 3.444 20 0 EGADLM Cc1cccc(S(=O)(=O)Nc2c(C)ccc(F)c2C(=O)[O-])c1F ZINC000547555195 458759895 /nfs/dbraw/zinc/75/98/95/458759895.db2.gz FUIYGCNQRBJTSN-UHFFFAOYSA-N -1 2 341.335 3.081 20 0 EGADLM O=C([O-])C1CCC(NC(=O)c2ccc(Cl)c(Cl)c2O)CC1 ZINC000738481212 576330098 /nfs/dbraw/zinc/33/00/98/576330098.db2.gz IALZGDVFRQZTCZ-UHFFFAOYSA-N -1 2 332.183 3.072 20 0 EGADLM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000833741462 605127550 /nfs/dbraw/zinc/12/75/50/605127550.db2.gz OATPEBUXVIVXQH-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cccc(Cl)c1O)c1ccccc1 ZINC000833413316 605254937 /nfs/dbraw/zinc/25/49/37/605254937.db2.gz ZCRVCPBKRJJMEC-IINYFYTJSA-N -1 2 333.771 3.237 20 0 EGADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc3[nH]ccc32)c1F ZINC000749144208 1299152289 /nfs/dbraw/zinc/15/22/89/1299152289.db2.gz VCJJIYFCEWAXEO-UHFFFAOYSA-N -1 2 348.355 3.114 20 0 EGADLM CCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000749142986 1299153275 /nfs/dbraw/zinc/15/32/75/1299153275.db2.gz UODCLEGYZOWDDF-UHFFFAOYSA-N -1 2 337.372 3.196 20 0 EGADLM CCc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)ccc1F ZINC000795365769 1309734831 /nfs/dbraw/zinc/73/48/31/1309734831.db2.gz CQBXTJUAARXANF-UHFFFAOYSA-N -1 2 341.335 3.026 20 0 EGADLM CCc1onc(C)c1C[NH+]1CCN(Cc2ccc(O)c(Cl)c2)CC1 ZINC000931516988 1329134026 /nfs/dbraw/zinc/13/40/26/1329134026.db2.gz CENQFRAAFJOJRE-UHFFFAOYSA-N -1 2 349.862 3.222 20 0 EGADLM O=C([O-])c1ccc(Nc2cc(=O)[nH]c(Cl)n2)cc1C(F)(F)F ZINC001211481570 1372566902 /nfs/dbraw/zinc/56/69/02/1372566902.db2.gz JQBFEHODGBIIER-UHFFFAOYSA-N -1 2 333.653 3.296 20 0 EGADLM O=C(c1ccccc1)c1ccc(O)c(OC2CC[NH+](CCF)CC2)c1 ZINC001228155248 1375520678 /nfs/dbraw/zinc/52/06/78/1375520678.db2.gz RAMBSLRHUNQMAF-UHFFFAOYSA-N -1 2 343.398 3.436 20 0 EGADLM Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3ccc(Cl)c(O)c3)C2)n1 ZINC001231735432 1376309787 /nfs/dbraw/zinc/30/97/87/1376309787.db2.gz PGNBKHYWNGIORS-CQSZACIVSA-N -1 2 333.819 3.187 20 0 EGADLM COc1cccnc1O[C@H]1CCC[N@H+](Cc2ccc(Cl)c(O)c2)C1 ZINC001231735187 1376309905 /nfs/dbraw/zinc/30/99/05/1376309905.db2.gz LJTKWPAMJXNRCN-AWEZNQCLSA-N -1 2 348.830 3.493 20 0 EGADLM CCCC[C@@H]1C[N@H+](Cc2ncccc2O)CCN1C(=O)OC(C)(C)C ZINC001138395319 1377715703 /nfs/dbraw/zinc/71/57/03/1377715703.db2.gz CPNQIBSEFNWYOQ-OAHLLOKOSA-N -1 2 349.475 3.399 20 0 EGADLM Cc1cccc(-c2ccc(CNc3nccnc3-c3nn[n-]n3)cc2)c1 ZINC000737380850 1428411280 /nfs/dbraw/zinc/41/12/80/1428411280.db2.gz SIDWHHWWHVROTD-UHFFFAOYSA-N -1 2 343.394 3.244 20 0 EGADLM Cc1cccc(-c2ccc(CNc3nccnc3-c3nnn[n-]3)cc2)c1 ZINC000737380850 1428411287 /nfs/dbraw/zinc/41/12/87/1428411287.db2.gz SIDWHHWWHVROTD-UHFFFAOYSA-N -1 2 343.394 3.244 20 0 EGADLM CC(C)c1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000038058548 957352745 /nfs/dbraw/zinc/35/27/45/957352745.db2.gz HXBRIQRHIDQLPD-UHFFFAOYSA-N -1 2 325.411 3.371 20 0 EGADLM CCCOc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000314410154 963749618 /nfs/dbraw/zinc/74/96/18/963749618.db2.gz BDAHWZONQUOPHH-UHFFFAOYSA-N -1 2 341.410 3.036 20 0 EGADLM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cccc(Cl)c1O ZINC001599832441 988694029 /nfs/dbraw/zinc/69/40/29/988694029.db2.gz QHURDNKKUNZMOZ-NSHDSACASA-N -1 2 333.771 3.161 20 0 EGADLM Cc1ccc(NS(=O)(=O)c2ccc(Cl)s2)c(C(=O)[O-])c1 ZINC000036961280 213127768 /nfs/dbraw/zinc/12/77/68/213127768.db2.gz ACSWRKYXLUTDBW-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(F)c(C3CC3)c2)c1 ZINC000337131067 163137688 /nfs/dbraw/zinc/13/76/88/163137688.db2.gz CGDSKBGYOIKMKD-UHFFFAOYSA-N -1 2 341.385 3.264 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2cccc3cc[nH]c32)sc1C(=O)[O-] ZINC000548477447 315014195 /nfs/dbraw/zinc/01/41/95/315014195.db2.gz GNOAINTWXZTWGN-UHFFFAOYSA-N -1 2 336.394 3.037 20 0 EGADLM C[C@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000125487582 454825904 /nfs/dbraw/zinc/82/59/04/454825904.db2.gz JDGUKAKLVNFFTI-SNVBAGLBSA-N -1 2 325.411 3.127 20 0 EGADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1scnc1C(C)C ZINC000583124957 325497126 /nfs/dbraw/zinc/49/71/26/325497126.db2.gz FDBRREDIICETGF-UHFFFAOYSA-N -1 2 346.455 3.135 20 0 EGADLM Cc1cccc(CN(CC[NH+](C)C)C(=O)c2cc(F)c(O)c(F)c2)c1 ZINC000186779805 455835763 /nfs/dbraw/zinc/83/57/63/455835763.db2.gz BRMWVEZUUZZPCK-UHFFFAOYSA-N -1 2 348.393 3.183 20 0 EGADLM O=c1[nH]nc([C@H]2CCC[N@@H+](CCCOc3cccc(Cl)c3)C2)o1 ZINC000340216390 456320335 /nfs/dbraw/zinc/32/03/35/456320335.db2.gz PJMFDXRJRUSFET-LBPRGKRZSA-N -1 2 337.807 3.077 20 0 EGADLM Cc1c(NS(=O)(=O)c2cc(Cl)ccc2F)cccc1C(=O)[O-] ZINC000340731828 456655345 /nfs/dbraw/zinc/65/53/45/456655345.db2.gz CZUHIGCCQMLYPT-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM C[C@@H]1[C@H](NC(=O)c2cc(F)c(O)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000291796892 456760059 /nfs/dbraw/zinc/76/00/59/456760059.db2.gz PIOSHZYDIQCSMJ-SJKOYZFVSA-N -1 2 346.377 3.063 20 0 EGADLM O=c1[nH]nc([C@H]2CCC[N@H+](CCSc3ccc(F)cc3F)C2)o1 ZINC000660463468 461796344 /nfs/dbraw/zinc/79/63/44/461796344.db2.gz DHNDQYUBBNKMIX-JTQLQIEISA-N -1 2 341.383 3.025 20 0 EGADLM O=C([O-])[C@@H]1CC12CCN(C(=O)c1ccc(Cl)c(Cl)c1O)CC2 ZINC000739533675 576425565 /nfs/dbraw/zinc/42/55/65/576425565.db2.gz POGFIXUVYIZYKN-VIFPVBQESA-N -1 2 344.194 3.026 20 0 EGADLM Cc1cc(NS(=O)(=O)c2c(C)cc(C)cc2C)sc1C(=O)[O-] ZINC000386441581 599874956 /nfs/dbraw/zinc/87/49/56/599874956.db2.gz SQEZZTHBMYAGAD-UHFFFAOYSA-N -1 2 339.438 3.481 20 0 EGADLM Cc1ccc(S(=O)(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c(F)c1 ZINC000404975197 600637804 /nfs/dbraw/zinc/63/78/04/600637804.db2.gz WRPOKFCMWFJVQJ-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM Cc1ccc2cccc(S(=O)(=O)Nc3ccsc3C(=O)[O-])c2n1 ZINC000832962155 601558115 /nfs/dbraw/zinc/55/81/15/601558115.db2.gz RPUJWWHPISFTRN-UHFFFAOYSA-N -1 2 348.405 3.104 20 0 EGADLM CSc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1 ZINC000007745986 956884082 /nfs/dbraw/zinc/88/40/82/956884082.db2.gz PLRANPROWRKEBU-UHFFFAOYSA-N -1 2 341.385 3.047 20 0 EGADLM Cc1oc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2C)c1C(=O)[O-] ZINC000314123172 963714667 /nfs/dbraw/zinc/71/46/67/963714667.db2.gz MDSRJYWWJATWOI-UHFFFAOYSA-N -1 2 343.788 3.357 20 0 EGADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nc(C(C)C)cs1 ZINC000314753994 963804593 /nfs/dbraw/zinc/80/45/93/963804593.db2.gz FNTLKKKLCNBJQA-UHFFFAOYSA-N -1 2 340.426 3.074 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2)sc1C(=O)[O-] ZINC000037225793 213136319 /nfs/dbraw/zinc/13/63/19/213136319.db2.gz MTDZFVZWNIOQDF-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM Cc1cc(S(=O)(=O)Nc2ccc(F)cc2C)sc1C(=O)[O-] ZINC000037225817 213136496 /nfs/dbraw/zinc/13/64/96/213136496.db2.gz YOJVUJNFJDRHKN-UHFFFAOYSA-N -1 2 329.374 3.003 20 0 EGADLM CCC(=O)c1cccc(S(=O)(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)c1 ZINC000324708067 154175908 /nfs/dbraw/zinc/17/59/08/154175908.db2.gz ANOPPPZBYUOUBS-UHFFFAOYSA-N -1 2 343.408 3.265 20 0 EGADLM O=C([O-])c1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1Cl ZINC000336851309 154217714 /nfs/dbraw/zinc/21/77/14/154217714.db2.gz NUAAFBXGXHQICM-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1F ZINC000180488680 162747935 /nfs/dbraw/zinc/74/79/35/162747935.db2.gz GYEQXFBUXYKTGZ-UHFFFAOYSA-N -1 2 343.763 3.287 20 0 EGADLM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cccs1 ZINC000362124612 301595328 /nfs/dbraw/zinc/59/53/28/301595328.db2.gz LQANNQUWJXDBED-UHFFFAOYSA-N -1 2 331.802 3.209 20 0 EGADLM CCCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000032098449 453865032 /nfs/dbraw/zinc/86/50/32/453865032.db2.gz WTVCMCJVJPRHHQ-UHFFFAOYSA-N -1 2 325.411 3.200 20 0 EGADLM O=c1[nH]nc([C@@H]2CCC[N@@H+](CCCOc3cccc(Cl)c3)C2)o1 ZINC000340216389 456320664 /nfs/dbraw/zinc/32/06/64/456320664.db2.gz PJMFDXRJRUSFET-GFCCVEGCSA-N -1 2 337.807 3.077 20 0 EGADLM Cc1cc(NC(=O)[C@@H](C)[N@H+]2CCc3[nH]c4ccc(C)cc4c3C2)on1 ZINC000364153002 457501801 /nfs/dbraw/zinc/50/18/01/457501801.db2.gz CBGGNQZWAMYBDE-CYBMUJFWSA-N -1 2 338.411 3.158 20 0 EGADLM CC[C@H](C)[N@H+](CC(=O)OC(C)(C)C)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459365621 458345354 /nfs/dbraw/zinc/34/53/54/458345354.db2.gz LUHZCURZNGLNOF-LBPRGKRZSA-N -1 2 335.448 3.002 20 0 EGADLM C[C@@H]1[C@H](C)N(C(=O)c2cc(Cl)c3ccccc3c2O)CC[N@@H+]1C ZINC000436714365 458366430 /nfs/dbraw/zinc/36/64/30/458366430.db2.gz UAGMOAPZCFNIPH-NEPJUHHUSA-N -1 2 332.831 3.363 20 0 EGADLM CCc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])c(C)cc2C)s1 ZINC000520688871 459084549 /nfs/dbraw/zinc/08/45/49/459084549.db2.gz SQXONDMPVZLZGP-UHFFFAOYSA-N -1 2 339.438 3.426 20 0 EGADLM Cn1cc(C[N@H+](C)Cc2cc(O)ccc2Cl)c(C(F)(F)F)n1 ZINC000625266453 460096742 /nfs/dbraw/zinc/09/67/42/460096742.db2.gz YNWRUTHMVDKHEV-UHFFFAOYSA-N -1 2 333.741 3.430 20 0 EGADLM CCc1ccc(CC)c(NS(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000830244848 601365748 /nfs/dbraw/zinc/36/57/48/601365748.db2.gz ILVHEFRTYDFVJJ-UHFFFAOYSA-N -1 2 339.438 3.372 20 0 EGADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cc(F)cc(Cl)c2)c1 ZINC000150753179 601985512 /nfs/dbraw/zinc/98/55/12/601985512.db2.gz KFESMIUNNDWRFZ-UHFFFAOYSA-N -1 2 347.726 3.117 20 0 EGADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)c1F ZINC000749143944 1299152345 /nfs/dbraw/zinc/15/23/45/1299152345.db2.gz SWCFKFYCKCJOGY-UHFFFAOYSA-N -1 2 348.355 3.114 20 0 EGADLM CCOC(=O)C[C@@H]1CC[N@H+](Cc2ccc(O)c(F)c2F)C[C@@H]1C ZINC001140894926 1378175041 /nfs/dbraw/zinc/17/50/41/1378175041.db2.gz GPGDVFWHMUHSEF-RYUDHWBXSA-N -1 2 327.371 3.082 20 0 EGADLM