smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1cc(=O)n2[n-]c([N-]S(=O)(=O)c3c(C)nn(C)c3Cl)nc2n1 ZINC001346917517 872062521 /nfs/dbraw/zinc/06/25/21/872062521.db2.gz NWMPWSMHHZXRAE-UHFFFAOYSA-N -2 3 371.810 0.476 10 0 FCAEHL C[N@H+](CCCc1ccccc1)CCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-] ZINC000001551162 204012790 /nfs/dbraw/zinc/01/27/90/204012790.db2.gz CCUVTLJATBXQHJ-UHFFFAOYSA-N -3 3 367.275 0.943 10 0 FCAEHL C[N@@H+](CCCc1ccccc1)CCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-] ZINC000001551162 204012793 /nfs/dbraw/zinc/01/27/93/204012793.db2.gz CCUVTLJATBXQHJ-UHFFFAOYSA-N -3 3 367.275 0.943 10 0 FCAEHL COC[C@H](CNC(=O)c1ncc(C)cc1[O-])NC(=O)c1ncc(C)cc1[O-] ZINC000438348671 248084621 /nfs/dbraw/zinc/08/46/21/248084621.db2.gz LKKAAXARDIAJFL-LBPRGKRZSA-N -2 3 374.397 0.679 10 0 FCAEHL Cc1cc(=O)n2[n-]c([N-]S(=O)(=O)c3cnccc3C(F)(F)F)nc2n1 ZINC000443143284 248309168 /nfs/dbraw/zinc/30/91/68/248309168.db2.gz JPGAIVTZPQPWAS-UHFFFAOYSA-N -2 3 374.304 0.941 10 0 FCAEHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CCc1nc(=O)o[n-]1 ZINC000562833065 491194779 /nfs/dbraw/zinc/19/47/79/491194779.db2.gz RPOGBIULQUCJGU-UHFFFAOYSA-N -2 3 361.763 0.324 10 0 FCAEHL CCOc1ccncc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1c(C)nn(C)c1C ZINC000569977609 491207569 /nfs/dbraw/zinc/20/75/69/491207569.db2.gz NQWXEWQUQNHESJ-CQSZACIVSA-N -2 3 368.415 0.935 10 0 FCAEHL COCC[C@@H]([N-]S(=O)(=O)c1ccc(CC(=O)OC)s1)C(=O)[O-] ZINC000275097995 488761484 /nfs/dbraw/zinc/76/14/84/488761484.db2.gz QCXCCSURQAKMAJ-SECBINFHSA-N -2 3 351.402 0.232 10 0 FCAEHL O=C(NCC1(NC(=O)c2ncccc2[O-])CCOCC1)c1ncccc1[O-] ZINC000275245698 488776884 /nfs/dbraw/zinc/77/68/84/488776884.db2.gz GWCSFNLCZIKCCX-UHFFFAOYSA-N -2 3 372.381 0.597 10 0 FCAEHL COC(CNC(=O)c1ncc(C)cc1[O-])CNC(=O)c1ncc(C)cc1[O-] ZINC000427907038 489628054 /nfs/dbraw/zinc/62/80/54/489628054.db2.gz RZGNFONHQGNFOK-UHFFFAOYSA-N -2 3 374.397 0.679 10 0 FCAEHL O=C([O-])Cn1cc(C[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)nn1 ZINC000392506848 490151773 /nfs/dbraw/zinc/15/17/73/490151773.db2.gz ALVJENTYDLEASF-UHFFFAOYSA-N -2 3 364.305 0.860 10 0 FCAEHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000547545771 490313706 /nfs/dbraw/zinc/31/37/06/490313706.db2.gz LNMPYISUCQOZKW-NSHDSACASA-N -2 3 371.346 0.310 10 0 FCAEHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000547545771 490313709 /nfs/dbraw/zinc/31/37/09/490313709.db2.gz LNMPYISUCQOZKW-NSHDSACASA-N -2 3 371.346 0.310 10 0 FCAEHL CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)s1)C(=O)[O-] ZINC000547615036 490331502 /nfs/dbraw/zinc/33/15/02/490331502.db2.gz MQYMKDBJMGHSEE-GMSGAONNSA-N -2 3 351.402 0.427 10 0 FCAEHL CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cnn(C)c2)s1 ZINC000548199968 490436088 /nfs/dbraw/zinc/43/60/88/490436088.db2.gz SRBYMDHXZHSSDZ-LBPRGKRZSA-N -2 3 372.428 0.222 10 0 FCAEHL NC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000548205406 490438797 /nfs/dbraw/zinc/43/87/97/490438797.db2.gz XTSTVKGTZDKSGM-SSDOTTSWSA-N -2 3 369.168 0.195 10 0 FCAEHL COc1cc(C[C@@H]([N-]S(=O)(=O)c2c[nH]cn2)C(=O)[O-])cc(OC)c1 ZINC000548534166 490498905 /nfs/dbraw/zinc/49/89/05/490498905.db2.gz JMBOHMHLXRGZED-GFCCVEGCSA-N -2 3 355.372 0.401 10 0 FCAEHL COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](Cn1cc(C)cn1)C(=O)[O-] ZINC000548539396 490501438 /nfs/dbraw/zinc/50/14/38/490501438.db2.gz XXYXOLRFRSXWNW-VIFPVBQESA-N -2 3 373.412 0.471 10 0 FCAEHL CCC[C@H](O)[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)cs1)C(=O)[O-] ZINC000548593113 490514363 /nfs/dbraw/zinc/51/43/63/490514363.db2.gz MDVYSPPNFSMDKZ-WPRPVWTQSA-N -2 3 351.402 0.427 10 0 FCAEHL Cn1cc([C@@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)C(=O)[O-])cn1 ZINC000514768113 490786812 /nfs/dbraw/zinc/78/68/12/490786812.db2.gz GTTYEELOQVKOOY-SNVBAGLBSA-N -2 3 364.305 0.938 10 0 FCAEHL C[C@]1(Br)C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1 ZINC000529013360 490837145 /nfs/dbraw/zinc/83/71/45/490837145.db2.gz KWBLBYDZZRBYED-HQJQHLMTSA-N -2 3 359.205 0.936 10 0 FCAEHL Cc1nc(C[N-]S(=O)(=O)c2ccc(C)c(OCC(=O)[O-])c2C)no1 ZINC000516931242 490885626 /nfs/dbraw/zinc/88/56/26/490885626.db2.gz RYMGVECYINUZOZ-UHFFFAOYSA-N -2 3 355.372 0.937 10 0 FCAEHL C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@@H](C[C@@H]3CCOC3)C(=O)[O-])cn21 ZINC000518342726 490937005 /nfs/dbraw/zinc/93/70/05/490937005.db2.gz HNVVFLDCTRUDIA-WOPDTQHZSA-N -2 3 357.432 0.939 10 0 FCAEHL COc1cc([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)c(C(=O)[O-])cc1OC ZINC000573497323 491437246 /nfs/dbraw/zinc/43/72/46/491437246.db2.gz WTIPEFNCABDENS-QMMMGPOBSA-N -2 3 360.388 0.620 10 0 FCAEHL COC(=O)Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccnn2C)s1 ZINC000573914180 491462611 /nfs/dbraw/zinc/46/26/11/491462611.db2.gz VQOGKPLJWVLUST-LBPRGKRZSA-N -2 3 373.412 0.301 10 0 FCAEHL C[N-]S(=O)(=O)c1cc([N-]S(=O)(=O)C[C@@H](OC)C2CC2)ccc1F ZINC000574638480 491510022 /nfs/dbraw/zinc/51/00/22/491510022.db2.gz UYWLVYGCUDJOMY-GFCCVEGCSA-N -2 3 366.436 0.901 10 0 FCAEHL C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000584780415 491714228 /nfs/dbraw/zinc/71/42/28/491714228.db2.gz BTWQARWVKZDRAT-DCAQKATOSA-N -2 3 360.457 0.984 10 0 FCAEHL C[C@@H]1CCN(C(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)C[C@@H]1C(=O)[O-] ZINC000647753529 492355768 /nfs/dbraw/zinc/35/57/68/492355768.db2.gz LVHCBYDALAHAPF-SBOFIZKASA-N -2 3 359.382 0.924 10 0 FCAEHL Cc1nn2cc(S(=O)(=O)[N-][C@@H](CCF)C(=O)[O-])cnc2c1Cl ZINC000656165574 492559685 /nfs/dbraw/zinc/55/96/85/492559685.db2.gz VVTDVKCFEGRYOY-QMMMGPOBSA-N -2 3 350.759 0.782 10 0 FCAEHL O=C([O-])c1conc1C[N-]S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 ZINC000656165430 492559283 /nfs/dbraw/zinc/55/92/83/492559283.db2.gz QXHNJPOLNJOMIX-UHFFFAOYSA-N -2 3 365.367 0.317 10 0 FCAEHL CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)CC1(OCC)CCOCC1)C(=O)[O-] ZINC000629296858 492603994 /nfs/dbraw/zinc/60/39/94/492603994.db2.gz WGTDBRPFRDQRKX-VXGBXAGGSA-N -2 3 353.437 0.106 10 0 FCAEHL Cc1ccc(S(=O)(=O)[N-]CCN2C[C@@H](C(=O)[O-])CC2=O)c(F)c1F ZINC000629297920 492604201 /nfs/dbraw/zinc/60/42/01/492604201.db2.gz XLKMBPNLRAXUGL-VIFPVBQESA-N -2 3 362.354 0.485 10 0 FCAEHL C[N-]S(=O)(=O)c1cc(NC(=O)C[C@@]2(C(=O)[O-])CCOC2)ccc1F ZINC000656480980 492625032 /nfs/dbraw/zinc/62/50/32/492625032.db2.gz BZQMQYZHVMRISP-AWEZNQCLSA-N -2 3 360.363 0.554 10 0 FCAEHL O=C([O-])[C@H](Cc1cnc[nH]1)[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000650387504 492636931 /nfs/dbraw/zinc/63/69/31/492636931.db2.gz NTDZQHXLIYZGGT-VIFPVBQESA-N -2 3 364.305 0.798 10 0 FCAEHL CS(=O)(=O)CC1(CC[N-]S(=O)(=O)c2scnc2C(=O)[O-])CC1 ZINC000656719266 492645011 /nfs/dbraw/zinc/64/50/11/492645011.db2.gz UGDFIDDZMLHMER-UHFFFAOYSA-N -2 3 368.458 0.335 10 0 FCAEHL COc1ccc2c(c1)[n-]cc(C(=O)N1C[C@@H]3COC[C@]3(C(=O)[O-])C1)c2=O ZINC000659779470 493289378 /nfs/dbraw/zinc/28/93/78/493289378.db2.gz NEYIROVHBYFRCJ-MLCYQJTMSA-N -2 3 358.350 0.710 10 0 FCAEHL O=C([O-])[C@@H](CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C1CCC1 ZINC000663145764 493575452 /nfs/dbraw/zinc/57/54/52/493575452.db2.gz AJQTUWIEZYEDSZ-QMMMGPOBSA-N -2 3 374.191 0.329 10 0 FCAEHL CO[C@H](C)CS(=O)(=O)[N-][C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000417506137 536867037 /nfs/dbraw/zinc/86/70/37/536867037.db2.gz OOGNNKCCNOJJPM-KWCYVHTRSA-N -2 3 370.427 0.368 10 0 FCAEHL CCOC(=O)c1nc([N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)c[n-]1 ZINC000592385189 546636619 /nfs/dbraw/zinc/63/66/19/546636619.db2.gz QIXGWJHRVDXEKN-UHFFFAOYSA-N -2 3 370.387 0.990 10 0 FCAEHL COC(=O)C1(CS(=O)(=O)[N-]Cc2nocc2C(=O)[O-])CCCCC1 ZINC000594571953 546802282 /nfs/dbraw/zinc/80/22/82/546802282.db2.gz HFQQCUZUXYLCHY-UHFFFAOYSA-N -2 3 360.388 0.916 10 0 FCAEHL CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCOC2)c(F)c1 ZINC000594690761 546814919 /nfs/dbraw/zinc/81/49/19/546814919.db2.gz NTROVGIQCYXBFJ-AWEZNQCLSA-N -2 3 361.347 0.524 10 0 FCAEHL COCc1nc(C[N-]S(=O)(=O)c2cc(F)ccc2C(=O)OC)n[n-]1 ZINC000594826538 546837292 /nfs/dbraw/zinc/83/72/92/546837292.db2.gz CMMVCUABNCMRRB-UHFFFAOYSA-N -2 3 358.351 0.355 10 0 FCAEHL CCS(=O)(=O)c1ccc(S(=O)(=O)[N-][N-]C(=O)C2CCCC2)cc1 ZINC000055586795 666543709 /nfs/dbraw/zinc/54/37/09/666543709.db2.gz ROAXPCHOBPXKBH-UHFFFAOYSA-N -2 3 360.457 0.980 10 0 FCAEHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](CN1CCCCC1)C(=O)[O-] ZINC000776627680 668280502 /nfs/dbraw/zinc/28/05/02/668280502.db2.gz KFZPGGGKKOKAQZ-JTQLQIEISA-N -2 3 364.855 0.599 10 0 FCAEHL C[C@@H]1CCN(C(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)C[C@H]1C(=O)[O-] ZINC000843256284 670787809 /nfs/dbraw/zinc/78/78/09/670787809.db2.gz DGHCDENOVDTBQK-RNFRBKRXSA-N -2 3 363.296 0.009 10 0 FCAEHL COC(=O)CC1(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])CC1 ZINC000852733821 671520334 /nfs/dbraw/zinc/52/03/34/671520334.db2.gz ZTGLHOFNMXSMFK-ONGXEEELSA-N -2 3 366.336 0.926 10 0 FCAEHL NC(=O)c1ccc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])cc1 ZINC000852735844 1209561232 /nfs/dbraw/zinc/56/12/32/1209561232.db2.gz JZZNMMKMMQOCBD-NEPJUHHUSA-N -2 3 373.331 0.882 10 0 FCAEHL CN(C)c1ncc(Br)c(C(=O)NCc2nc([O-])cc(=O)[n-]2)n1 ZINC001557702375 1268967630 /nfs/dbraw/zinc/96/76/30/1268967630.db2.gz GSDVQJAOUVEWNU-UHFFFAOYSA-N -2 3 369.179 0.436 10 0 FCAEHL Cc1cc(C)nc(-n2[n-]c(C(=O)NCc3cc(=O)[n-]c(=S)[nH]3)cc2=O)n1 ZINC001628258667 1290520324 /nfs/dbraw/zinc/52/03/24/1290520324.db2.gz CBYCCTLCNLQHOC-UHFFFAOYSA-N -2 3 373.398 0.287 10 0 FCAEHL Cc1cc(C(=O)N2C[C@@H](C)N(CCO)C[C@@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001630284771 1290657137 /nfs/dbraw/zinc/65/71/37/1290657137.db2.gz VGVSJLOIPACZFM-MNOVXSKESA-N -2 3 361.402 0.272 10 0 FCAEHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1nc2nc(C)cc(=O)n2[n-]1 ZINC001319379104 867900180 /nfs/dbraw/zinc/90/01/80/867900180.db2.gz FYZYNZALRLIMQR-UHFFFAOYSA-N -2 3 357.783 0.222 10 0 FCAEHL COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001321443793 868474694 /nfs/dbraw/zinc/47/46/94/868474694.db2.gz IQYKJKTUAGLTFB-JTQLQIEISA-N -2 3 361.326 0.671 10 0 FCAEHL COc1cc(F)cc(F)c1S(=O)(=O)[N-][C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001321443793 868474699 /nfs/dbraw/zinc/47/46/99/868474699.db2.gz IQYKJKTUAGLTFB-JTQLQIEISA-N -2 3 361.326 0.671 10 0 FCAEHL O=c1nc(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)[n-]o1 ZINC001330600419 872726428 /nfs/dbraw/zinc/72/64/28/872726428.db2.gz CQXVTOXAKGQOHF-UHFFFAOYSA-N -2 3 372.712 0.951 10 0 FCAEHL CCN1CC[C@H]2OCCN(C(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[n-]3)[C@H]2C1 ZINC000293959022 214213976 /nfs/dbraw/zinc/21/39/76/214213976.db2.gz SRUNHGHKPSFNRU-QWHCGFSZSA-N -2 3 373.413 0.680 10 0 FCAEHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000275332020 212009155 /nfs/dbraw/zinc/00/91/55/212009155.db2.gz UHRLNOUPSXRLMM-VIFPVBQESA-N -2 3 361.811 0.090 10 0 FCAEHL C[C@@H]1CCCN(C(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)[C@H]1C(=O)[O-] ZINC000424269774 247193245 /nfs/dbraw/zinc/19/32/45/247193245.db2.gz XITQYWFWCPGXOH-BDJLRTHQSA-N -2 3 371.393 0.970 10 0 FCAEHL O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444385930 248357632 /nfs/dbraw/zinc/35/76/32/248357632.db2.gz UKBZMTRBFNPPRC-ZDUSSCGKSA-N -2 3 374.397 0.991 10 0 FCAEHL 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/nfs/dbraw/zinc/70/92/49/491709249.db2.gz KPPRIFWFLZVUEC-KGLIPLIRSA-N -2 3 354.384 0.459 10 0 FCAEHL COC(=O)CC[C@H]([N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C)C(=O)[O-] ZINC000580941122 491752432 /nfs/dbraw/zinc/75/24/32/491752432.db2.gz WCGBXFCXXLNHKW-ZJUUUORDSA-N -2 3 359.404 0.465 10 0 FCAEHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](Cc2ccncc2)C(=O)[O-])oc1C ZINC000590603765 491781229 /nfs/dbraw/zinc/78/12/29/491781229.db2.gz ZSIASMLSLFJYOW-GFCCVEGCSA-N -2 3 368.367 0.744 10 0 FCAEHL O=C([O-])Cn1cc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)nn1 ZINC000583598496 491848464 /nfs/dbraw/zinc/84/84/64/491848464.db2.gz YVUFICVPYDJUEO-UHFFFAOYSA-N -2 3 370.334 0.922 10 0 FCAEHL Cc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCN2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000615266409 492083345 /nfs/dbraw/zinc/08/33/45/492083345.db2.gz STSUBDYIWDPFKT-QWHCGFSZSA-N -2 3 373.413 0.680 10 0 FCAEHL CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@@H](CCF)C(=O)[O-])cc1F ZINC000656163429 492559424 /nfs/dbraw/zinc/55/94/24/492559424.db2.gz YBPHOCQXIMGVTC-VIFPVBQESA-N -2 3 357.356 0.320 10 0 FCAEHL CCO[C@H](CS(=O)(=O)[N-]c1ccc(-n2nn[n-]c2=O)cc1)C1CC1 ZINC000629295975 492603298 /nfs/dbraw/zinc/60/32/98/492603298.db2.gz PXFGIDQGSLDVQR-CYBMUJFWSA-N -2 3 353.404 0.925 10 0 FCAEHL O=C([O-])[C@@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000629339336 492611723 /nfs/dbraw/zinc/61/17/23/492611723.db2.gz GVFMHMJPUCTMMW-GHMZBOCLSA-N -2 3 359.404 0.214 10 0 FCAEHL Cc1c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]2CCOC2)coc1C(=O)N(C)C ZINC000650393939 492637555 /nfs/dbraw/zinc/63/75/55/492637555.db2.gz SVWNQARPPFQDSZ-ONGXEEELSA-N -2 3 360.388 0.058 10 0 FCAEHL C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@H](Cc3ncccn3)C(=O)[O-])cn21 ZINC000650428089 492641411 /nfs/dbraw/zinc/64/14/11/492641411.db2.gz BPILERILBVHOAR-GHMZBOCLSA-N -2 3 365.415 0.545 10 0 FCAEHL CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](Cc2ncccn2)C(=O)[O-])c1 ZINC000650428531 492641832 /nfs/dbraw/zinc/64/18/32/492641832.db2.gz NPWCHUAHSSEECN-LLVKDONJSA-N -2 3 353.404 0.303 10 0 FCAEHL COC[C@@H](CC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC)OC 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/nfs/dbraw/zinc/30/30/98/535303098.db2.gz GRFXEERZVGLCBB-VXGBXAGGSA-N -2 3 366.436 0.779 10 0 FCAEHL Cc1cnn(C[C@@H]([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)C(=O)[O-])c1 ZINC000776645301 668282995 /nfs/dbraw/zinc/28/29/95/668282995.db2.gz SDSHGWDYFXHWCY-SECBINFHSA-N -2 3 361.811 0.319 10 0 FCAEHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](COC(C)(C)C)C(=O)[O-] ZINC000794766139 668995616 /nfs/dbraw/zinc/99/56/16/668995616.db2.gz CRWKVWKKYPQFPF-QMMMGPOBSA-N -2 3 353.828 0.929 10 0 FCAEHL C[C@H]1CCN(C(=O)C(=O)NCc2nc(C(F)(F)F)n[n-]2)C[C@H]1C(=O)[O-] ZINC000843256283 670787856 /nfs/dbraw/zinc/78/78/56/670787856.db2.gz DGHCDENOVDTBQK-NKWVEPMBSA-N -2 3 363.296 0.009 10 0 FCAEHL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1ncccc1[O-] ZINC000852958516 671534022 /nfs/dbraw/zinc/53/40/22/671534022.db2.gz MPMVJIZVGCVXAN-XCBNKYQSSA-N -3 3 361.276 0.524 10 0 FCAEHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@H](C)c1nn(C)cc1[O-] ZINC001179921421 1206386728 /nfs/dbraw/zinc/38/67/28/1206386728.db2.gz RLLRCNUTCQUFHB-LLVKDONJSA-N -2 3 368.397 0.999 10 0 FCAEHL Cn1c2cc([O-])c(NC(=O)c3c[n-]n4c3nccc4=O)cc2n(C)c1=O ZINC001261223958 1260103722 /nfs/dbraw/zinc/10/37/22/1260103722.db2.gz OTGMCHYVMBXXMT-UHFFFAOYSA-N -2 3 354.326 0.171 10 0 FCAEHL Cc1cc(=O)[n-]c(N2CCN(C(=O)c3ccc4oc(=O)nc-4[n-]3)CC2)n1 ZINC001634978104 1282369263 /nfs/dbraw/zinc/36/92/63/1282369263.db2.gz REUPEKNCUSBBPK-UHFFFAOYSA-N -2 3 356.342 0.695 10 0 FCAEHL Cc1cc(C(=O)N2C[C@H](C)N(CCO)C[C@@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001630284772 1290657053 /nfs/dbraw/zinc/65/70/53/1290657053.db2.gz VGVSJLOIPACZFM-QWRGUYRKSA-N -2 3 361.402 0.272 10 0 FCAEHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2[C@H]3COC[C@H]32)c(Br)o1 ZINC000375585935 217287792 /nfs/dbraw/zinc/28/77/92/217287792.db2.gz DPVKVWPEKCOXED-POBXSPIYSA-N -2 3 366.189 0.911 10 0 FCAEHL O=C(NCCNC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc([O-])cc1 ZINC000436521894 248044633 /nfs/dbraw/zinc/04/46/33/248044633.db2.gz PPJVEXNTFMQXLK-UHFFFAOYSA-N -2 3 352.350 0.789 10 0 FCAEHL CC[C@H](CO)N1CCN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)CC1 ZINC000270488080 211208549 /nfs/dbraw/zinc/20/85/49/211208549.db2.gz IYUCIEYSEJMWQP-LLVKDONJSA-N -2 3 361.402 0.273 10 0 FCAEHL CC(=O)Nc1ccc(S(=O)(=O)[O-])c2cc(S(=O)(=O)[O-])cc([O-])c12 ZINC000031308482 208012164 /nfs/dbraw/zinc/01/21/64/208012164.db2.gz JLDYJXZCXHXBTL-UHFFFAOYSA-N -3 3 361.353 0.997 10 0 FCAEHL NC1(N)C=CC(/C=C/c2ccccc2S(=O)(=O)[O-])=C(S(=O)(=O)[O-])C1 ZINC000095932591 209086253 /nfs/dbraw/zinc/08/62/53/209086253.db2.gz XDVZFVQLRRGUKX-AATRIKPKSA-N -2 3 372.424 0.662 10 0 FCAEHL COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000322887644 488903320 /nfs/dbraw/zinc/90/33/20/488903320.db2.gz DBBYUCVXNWRZOF-SECBINFHSA-N -2 3 359.385 0.372 10 0 FCAEHL COC(=O)c1sccc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1cnn(C)c1 ZINC000322887645 488903426 /nfs/dbraw/zinc/90/34/26/488903426.db2.gz DBBYUCVXNWRZOF-VIFPVBQESA-N -2 3 359.385 0.372 10 0 FCAEHL O=P([O-])([O-])C(O)(CC[N@@H+]1CC[C@H](c2ccccc2)C1)P(=O)([O-])[O-] ZINC000027194842 487690518 /nfs/dbraw/zinc/69/05/18/487690518.db2.gz YOXLICBFUZYKFK-LBPRGKRZSA-N -3 3 365.259 0.868 10 0 FCAEHL O=P([O-])([O-])C(O)(CC[N@H+]1CC[C@H](c2ccccc2)C1)P(=O)([O-])[O-] ZINC000027194842 487690522 /nfs/dbraw/zinc/69/05/22/487690522.db2.gz YOXLICBFUZYKFK-LBPRGKRZSA-N -3 3 365.259 0.868 10 0 FCAEHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)[C@H]1CCOC1 ZINC000554531480 491208646 /nfs/dbraw/zinc/20/86/46/491208646.db2.gz CYSWYAQRMONXRO-CBAPKCEASA-N -2 3 354.306 0.868 10 0 FCAEHL COC(=O)Cc1ccc(S(=O)(=O)[N-][C@H](Cc2c[nH]cn2)C(=O)[O-])s1 ZINC000274965772 488748954 /nfs/dbraw/zinc/74/89/54/488748954.db2.gz VNJIIWPTZFWIMN-SNVBAGLBSA-N -2 3 373.412 0.161 10 0 FCAEHL O=C([O-])c1csc(C[N-]S(=O)(=O)c2cnn(CC(F)F)c2)n1 ZINC000275267966 488778666 /nfs/dbraw/zinc/77/86/66/488778666.db2.gz PVLAYIIYHGXHCM-UHFFFAOYSA-N -2 3 352.344 0.781 10 0 FCAEHL CCC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC000570333160 491234416 /nfs/dbraw/zinc/23/44/16/491234416.db2.gz SKWQTGLIWMLVBL-LLVKDONJSA-N -2 3 364.445 0.653 10 0 FCAEHL Cn1c2cc([O-])c([N-]S(=O)(=O)C[C@H]3CCCCO3)cc2n(C)c1=O ZINC000290593359 489151261 /nfs/dbraw/zinc/15/12/61/489151261.db2.gz XTPCYVCKQYADOO-SNVBAGLBSA-N -2 3 355.416 0.893 10 0 FCAEHL CS(=O)(=O)c1nc(NC(=O)c2ccc(Br)cc2[O-])n[n-]1 ZINC000436942265 490017273 /nfs/dbraw/zinc/01/72/73/490017273.db2.gz UTYHRPNZPYFQLR-UHFFFAOYSA-N -2 3 361.177 0.929 10 0 FCAEHL CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc(Br)cc2[O-])n1 ZINC000436942265 490017279 /nfs/dbraw/zinc/01/72/79/490017279.db2.gz UTYHRPNZPYFQLR-UHFFFAOYSA-N -2 3 361.177 0.929 10 0 FCAEHL CS(=O)(=O)c1nnc(NC(=O)c2ccc(Br)cc2[O-])[n-]1 ZINC000436942265 490017282 /nfs/dbraw/zinc/01/72/82/490017282.db2.gz UTYHRPNZPYFQLR-UHFFFAOYSA-N -2 3 361.177 0.929 10 0 FCAEHL O=C([O-])Cn1cc(C[N-]S(=O)(=O)c2ccc3ncsc3c2)nn1 ZINC000547590488 490325280 /nfs/dbraw/zinc/32/52/80/490325280.db2.gz YWZLRXDJUQYKNB-UHFFFAOYSA-N -2 3 353.385 0.451 10 0 FCAEHL CCc1nc(C(=O)[N-]c2n[n-]c(S(C)(=O)=O)n2)nn1-c1ccccc1 ZINC000522760692 490400551 /nfs/dbraw/zinc/40/05/51/490400551.db2.gz YNFPINRJLSHYDL-UHFFFAOYSA-N -2 3 361.387 0.604 10 0 FCAEHL CCC[C@H](O)[C@H]([N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)C(=O)[O-] ZINC000548231513 490446013 /nfs/dbraw/zinc/44/60/13/490446013.db2.gz HZMCHGCZJODUIG-FZMZJTMJSA-N -2 3 374.390 0.603 10 0 FCAEHL O=C(C[N-]S(=O)(=O)c1cccs1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000538832364 490752593 /nfs/dbraw/zinc/75/25/93/490752593.db2.gz IUYCZPRDNDLKDR-UHFFFAOYSA-N -2 3 371.444 0.256 10 0 FCAEHL O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cc([O-])cc(F)c3)cc2[nH]c1=O ZINC000504274981 490793834 /nfs/dbraw/zinc/79/38/34/490793834.db2.gz PEZUTMLIMCCCBM-UHFFFAOYSA-N -2 3 351.315 0.862 10 0 FCAEHL Cn1c(=O)[n-]c(=O)c2cc(C(=O)N=c3nc(C4(C)CC4)[n-]s3)cnc21 ZINC000529704302 490865847 /nfs/dbraw/zinc/86/58/47/490865847.db2.gz ZRBBLCMXXGQONS-UHFFFAOYSA-N -2 3 358.383 0.611 10 0 FCAEHL COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@H](CO)C(=O)[O-] ZINC000530137312 490890239 /nfs/dbraw/zinc/89/02/39/490890239.db2.gz MKQDPQAHRGPSCF-ZCFIWIBFSA-N -2 3 359.278 0.318 10 0 FCAEHL O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000543746044 490944862 /nfs/dbraw/zinc/94/48/62/490944862.db2.gz UAJIELIJLCZFCM-OCCSQVGLSA-N -2 3 370.413 0.916 10 0 FCAEHL O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000543746044 490944864 /nfs/dbraw/zinc/94/48/64/490944864.db2.gz UAJIELIJLCZFCM-OCCSQVGLSA-N -2 3 370.413 0.916 10 0 FCAEHL CCOC(=O)CC[C@H]([N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C)C(=O)[O-] ZINC000569575360 491169551 /nfs/dbraw/zinc/16/95/51/491169551.db2.gz RHSPMJFUQNAXMM-MNOVXSKESA-N -2 3 373.431 0.855 10 0 FCAEHL C[C@@H]1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C[C@H]1C(=O)[O-] ZINC000567734431 491526113 /nfs/dbraw/zinc/52/61/13/491526113.db2.gz JHCQADLBNCRPMG-HTQZYQBOSA-N -2 3 374.191 0.281 10 0 FCAEHL COC(=O)CCCc1n[n-]c(=NC(=O)N=c2cc(OC)n(C)[n-]2)s1 ZINC000579309244 491695197 /nfs/dbraw/zinc/69/51/97/491695197.db2.gz NIRLZIICRXJXGI-UHFFFAOYSA-N -2 3 354.392 0.264 10 0 FCAEHL COC(=O)Cn1cc([N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)cn1 ZINC000590598194 491780917 /nfs/dbraw/zinc/78/09/17/491780917.db2.gz MKNAFQMIECENJH-UHFFFAOYSA-N -2 3 353.356 0.696 10 0 FCAEHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)c[n-]1 ZINC000618906567 492242534 /nfs/dbraw/zinc/24/25/34/492242534.db2.gz NRXNKUKITAFVKO-UHFFFAOYSA-N -2 3 369.403 0.428 10 0 FCAEHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)[n-]1 ZINC000618906567 492242537 /nfs/dbraw/zinc/24/25/37/492242537.db2.gz NRXNKUKITAFVKO-UHFFFAOYSA-N -2 3 369.403 0.428 10 0 FCAEHL O=C([O-])[C@@H](Cc1cnc[nH]1)[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC000650387503 492636952 /nfs/dbraw/zinc/63/69/52/492636952.db2.gz NTDZQHXLIYZGGT-SECBINFHSA-N -2 3 364.305 0.798 10 0 FCAEHL Cc1c(C(=O)N(C)C)occ1S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-] ZINC000650394614 492637675 /nfs/dbraw/zinc/63/76/75/492637675.db2.gz MHPVCWFRHUCWGW-SSDOTTSWSA-N -2 3 354.331 0.677 10 0 FCAEHL CCC(=O)C[C@H]([N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)C(=O)[O-] ZINC000650412382 492638180 /nfs/dbraw/zinc/63/81/80/492638180.db2.gz BSFQTJQAUUFJJI-JTQLQIEISA-N -2 3 360.388 0.391 10 0 FCAEHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CC2(OC)CCC2)C(=O)[O-])c(C)o1 ZINC000652111177 492882068 /nfs/dbraw/zinc/88/20/68/492882068.db2.gz PRLVPPZNMXUJAO-NSHDSACASA-N -2 3 374.415 0.638 10 0 FCAEHL C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)s1 ZINC000646141510 493019081 /nfs/dbraw/zinc/01/90/81/493019081.db2.gz AKHTXLRKXLIGOD-DTWKUNHWSA-N -2 3 361.445 0.709 10 0 FCAEHL CCC[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(CNC(C)=O)s1)C(=O)[O-] ZINC000681579684 493189230 /nfs/dbraw/zinc/18/92/30/493189230.db2.gz ORFPGIWGRGVDPD-CMPLNLGQSA-N -2 3 364.445 0.277 10 0 FCAEHL Cc1nn(C)c(C)c1[C@@H]([N-]S(=O)(=O)c1c(Cl)cnn1C)C(=O)[O-] ZINC000684654624 493426809 /nfs/dbraw/zinc/42/68/09/493426809.db2.gz JFKYFMQZGCLUHN-SNVBAGLBSA-N -2 3 361.811 0.528 10 0 FCAEHL CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1cn(CC2CC2)c(CC)n1)C(=O)[O-] ZINC000663285890 493581711 /nfs/dbraw/zinc/58/17/11/493581711.db2.gz KGRUMCKVDSWDQN-RISCZKNCSA-N -2 3 359.448 0.748 10 0 FCAEHL CC(=O)Nc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cnn(C)c2)c(F)c1 ZINC000327098394 546511018 /nfs/dbraw/zinc/51/10/18/546511018.db2.gz ZQHSMHPMHNLIEM-CYBMUJFWSA-N -2 3 370.362 0.622 10 0 FCAEHL COC[C@@](C)(O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000840889592 670524012 /nfs/dbraw/zinc/52/40/12/670524012.db2.gz DIJMDQGMOCNQHM-ZDUSSCGKSA-N -2 3 353.343 0.729 10 0 FCAEHL CO[C@@H](C[C@@H]([N-]S(=O)(=O)c1cn(C)c(Cl)n1)C(=O)[O-])C1CC1 ZINC000848682669 671290278 /nfs/dbraw/zinc/29/02/78/671290278.db2.gz CZPQIYPTKZGUPM-BDAKNGLRSA-N -2 3 351.812 0.620 10 0 FCAEHL NC(=O)c1cccc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])c1 ZINC000852737054 1209561178 /nfs/dbraw/zinc/56/11/78/1209561178.db2.gz QFJJPHFMDYZOHI-NWDGAFQWSA-N -2 3 373.331 0.882 10 0 FCAEHL COc1cc2[n-]cc(C(=O)[N-]N3C(=O)[C@H](C)N(C)C3=O)c(=O)c2c(OC)c1 ZINC001557575633 1268954982 /nfs/dbraw/zinc/95/49/82/1268954982.db2.gz DFXZYNUYCWJZBT-QMMMGPOBSA-N -2 3 374.353 0.473 10 0 FCAEHL COc1ccc([C@]2(C)NC(=O)N([N-]C(=O)c3cncc([O-])c3)C2=O)cc1 ZINC001634860761 1282360865 /nfs/dbraw/zinc/36/08/65/1282360865.db2.gz XTXJJQNLUKRMHL-KRWDZBQOSA-N -2 3 356.338 0.908 10 0 FCAEHL O=C(NCCNC(=O)c1cccc(-c2nc(=O)o[n-]2)c1)c1ccc([O-])cc1 ZINC001622744041 1290182919 /nfs/dbraw/zinc/18/29/19/1290182919.db2.gz UIKRFXHJJNSIAE-UHFFFAOYSA-N -2 3 368.349 0.895 10 0 FCAEHL COC(=O)NCCc1ccc(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)s1 ZINC000297263132 214389721 /nfs/dbraw/zinc/38/97/21/214389721.db2.gz RVYSQAROQOIALV-UHFFFAOYSA-N -2 3 362.429 0.790 10 0 FCAEHL C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(F)c1)C(=O)[O-] ZINC000230012465 209341499 /nfs/dbraw/zinc/34/14/99/209341499.db2.gz XUROZGHLLJTQAT-MLUIRONXSA-N -2 3 356.169 0.701 10 0 FCAEHL C[C@@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)[C@H](C)CO ZINC000443257991 248317327 /nfs/dbraw/zinc/31/73/27/248317327.db2.gz RVWCSGJQTUWJSZ-RKDXNWHRSA-N -2 3 354.425 0.492 10 0 FCAEHL Cc1cc(C(=O)NC[C@@H]2CCCCN2CCO)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000452793721 249332106 /nfs/dbraw/zinc/33/21/06/249332106.db2.gz HQPQIFFAFJJZEE-NSHDSACASA-N -2 3 361.402 0.321 10 0 FCAEHL Cc1ccc(N([C@@H](C)C(=O)[O-])S(=O)(=O)c2c(C)[nH]c(=O)[n-]c2=O)cc1 ZINC000002928485 487470531 /nfs/dbraw/zinc/47/05/31/487470531.db2.gz UTWUQWVFKNZWGX-JTQLQIEISA-N -2 3 367.383 0.348 10 0 FCAEHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@@H]3NC(=O)[N-]C3=O)c2)n1 ZINC000049304811 488094975 /nfs/dbraw/zinc/09/49/75/488094975.db2.gz KUJDBYWKGFULEG-LBPRGKRZSA-N -2 3 355.354 0.536 10 0 FCAEHL COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-][C@H](C)[C@H](C)C(=O)[O-])c1 ZINC000562967349 491204214 /nfs/dbraw/zinc/20/42/14/491204214.db2.gz QSACJXHQIAOZAW-DTWKUNHWSA-N -2 3 373.383 0.647 10 0 FCAEHL O=C([O-])c1csc(C[N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)n1 ZINC000274960453 488747922 /nfs/dbraw/zinc/74/79/22/488747922.db2.gz JCGFSUBLSMRDEA-QMMMGPOBSA-N -2 3 358.401 0.478 10 0 FCAEHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H](CC(N)=O)C(=O)[O-])s1 ZINC000274959264 488748133 /nfs/dbraw/zinc/74/81/33/488748133.db2.gz URZDBQDNJZJLPK-ZCFIWIBFSA-N -2 3 371.234 0.426 10 0 FCAEHL NC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000275106968 488762229 /nfs/dbraw/zinc/76/22/29/488762229.db2.gz RMLQACNDKCJNIP-SSDOTTSWSA-N -2 3 374.724 0.966 10 0 FCAEHL CCN(CC(=O)[O-])S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CC1 ZINC000570221383 491225691 /nfs/dbraw/zinc/22/56/91/491225691.db2.gz ROFRZLAHDUNHMH-UHFFFAOYSA-N -2 3 362.429 0.223 10 0 FCAEHL COC(=O)C1(CS(=O)(=O)[N-][C@H](C(=O)[O-])c2scnc2C)CCC1 ZINC000555219145 491241944 /nfs/dbraw/zinc/24/19/44/491241944.db2.gz XXTYLOLOZHHKEK-VIFPVBQESA-N -2 3 362.429 0.840 10 0 FCAEHL COC(=O)C1(CS(=O)(=O)[N-][C@@H](C(=O)[O-])c2scnc2C)CCC1 ZINC000555219144 491241985 /nfs/dbraw/zinc/24/19/85/491241985.db2.gz XXTYLOLOZHHKEK-SECBINFHSA-N -2 3 362.429 0.840 10 0 FCAEHL Cn1ccc(C[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)n1 ZINC000497942965 490235646 /nfs/dbraw/zinc/23/56/46/490235646.db2.gz CWCCSXFXTOKKLU-UHFFFAOYSA-N -2 3 362.408 0.409 10 0 FCAEHL C[N-]S(=O)(=O)c1cc([N-]S(=O)(=O)c2cc(C)cnc2N)ccc1F ZINC000507618237 490239919 /nfs/dbraw/zinc/23/99/19/490239919.db2.gz RTCFKBJEXPJGAR-UHFFFAOYSA-N -2 3 374.419 0.820 10 0 FCAEHL NC(=O)C[C@@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000547549361 490314851 /nfs/dbraw/zinc/31/48/51/490314851.db2.gz VNZKNAJCPSQNRB-SECBINFHSA-N -2 3 355.397 0.417 10 0 FCAEHL COC(=O)CCN(C)S(=O)(=O)[N-]c1cc(F)c(C(=O)[O-])cc1OC ZINC000547617210 490331320 /nfs/dbraw/zinc/33/13/20/490331320.db2.gz QTSZOWDYARHFIJ-UHFFFAOYSA-N -2 3 364.351 0.684 10 0 FCAEHL CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccsc1C(=O)OC)C(=O)[O-] ZINC000547934488 490390416 /nfs/dbraw/zinc/39/04/16/490390416.db2.gz PCNNFCMDKIAQDA-APPZFPTMSA-N -2 3 351.402 0.427 10 0 FCAEHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cnn(C)c2)s1 ZINC000548205184 490438757 /nfs/dbraw/zinc/43/87/57/490438757.db2.gz JRJSTCUTOHIQQY-SNVBAGLBSA-N -2 3 359.385 0.372 10 0 FCAEHL CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)C(=O)[O-] ZINC000548231514 490445550 /nfs/dbraw/zinc/44/55/50/490445550.db2.gz HZMCHGCZJODUIG-RISCZKNCSA-N -2 3 374.390 0.603 10 0 FCAEHL CCOC(=O)CCS(=O)(=O)[N-][C@@H](C(=O)[O-])c1c(F)cccc1F ZINC000548591395 490513671 /nfs/dbraw/zinc/51/36/71/490513671.db2.gz DPSKJDGCWRKGMV-GFCCVEGCSA-N -2 3 351.327 0.963 10 0 FCAEHL CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]Cc1cc(C(=O)[O-])co1 ZINC000525958039 490659466 /nfs/dbraw/zinc/65/94/66/490659466.db2.gz QJZAIYDYMYGBDY-UHFFFAOYSA-N -2 3 359.381 0.860 10 0 FCAEHL CN1CCC[C@H]1C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000538277666 490724268 /nfs/dbraw/zinc/72/42/68/490724268.db2.gz UTKYEKNWAYWRMT-NSHDSACASA-N -2 3 365.452 0.570 10 0 FCAEHL COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)O ZINC000530137162 490890300 /nfs/dbraw/zinc/89/03/00/490890300.db2.gz HCSTXUOCQHZZND-RCOVLWMOSA-N -2 3 373.305 0.706 10 0 FCAEHL C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000530420782 490904635 /nfs/dbraw/zinc/90/46/35/490904635.db2.gz HQWHLXUXQGPRMD-ZWNOBZJWSA-N -2 3 362.429 0.407 10 0 FCAEHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCN(c2c(F)cccc2F)C1 ZINC000572838850 491396536 /nfs/dbraw/zinc/39/65/36/491396536.db2.gz QUEMCMOHEDTNLZ-QMMMGPOBSA-N -2 3 372.353 0.943 10 0 FCAEHL C/C=C\C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)[N-]C)s1)C(=O)[O-] ZINC000567668579 491521809 /nfs/dbraw/zinc/52/18/09/491521809.db2.gz KMXYUKMBBNVBEC-UMBAGQNISA-N -2 3 361.445 0.875 10 0 FCAEHL C[C@@H]1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C[C@@H]1C(=O)[O-] ZINC000567734433 491526025 /nfs/dbraw/zinc/52/60/25/491526025.db2.gz JHCQADLBNCRPMG-SFYZADRCSA-N -2 3 374.191 0.281 10 0 FCAEHL CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC000569399916 491659094 /nfs/dbraw/zinc/65/90/94/491659094.db2.gz HAOHXQASIXUSSI-HZMBPMFUSA-N -2 3 374.440 0.080 10 0 FCAEHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000581975890 491792976 /nfs/dbraw/zinc/79/29/76/491792976.db2.gz BEHKWABOZLESDW-UHFFFAOYSA-N -2 3 374.419 0.677 10 0 FCAEHL CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H]1CCC[C@H]1C(=O)[O-] ZINC000583978939 491855800 /nfs/dbraw/zinc/85/58/00/491855800.db2.gz RBYPNTOCHFHDNB-GHMZBOCLSA-N -2 3 361.441 0.869 10 0 FCAEHL CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000614792054 492056136 /nfs/dbraw/zinc/05/61/36/492056136.db2.gz SAMGRQIXNKKFSR-UHFFFAOYSA-N -2 3 369.424 0.958 10 0 FCAEHL C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@@](C)(CCF)C(=O)[O-])s1 ZINC000656578768 492634212 /nfs/dbraw/zinc/63/42/12/492634212.db2.gz VJVATGYODKDYTA-LBPRGKRZSA-N -2 3 367.424 0.658 10 0 FCAEHL COCc1nc(C[N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)n[n-]1 ZINC000657104674 492722984 /nfs/dbraw/zinc/72/29/84/492722984.db2.gz RKKCLENAVGOPPC-UHFFFAOYSA-N -2 3 354.285 0.986 10 0 FCAEHL CO[C@@H]1CN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)[C@@](C)(C(=O)[O-])C1 ZINC000630309072 492737267 /nfs/dbraw/zinc/73/72/67/492737267.db2.gz FSCADGZAWXMCKZ-SWLSCSKDSA-N -2 3 356.400 0.762 10 0 FCAEHL O=C([O-])CN(CC1CC1)C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000653325732 493094382 /nfs/dbraw/zinc/09/43/82/493094382.db2.gz 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