smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000161471561 327000544 /nfs/dbraw/zinc/00/05/44/327000544.db2.gz LNVLNMUZNQWMMP-OIBJUYFYSA-N -1 0 374.390 2.042 20 70 FEIDRM C[C@@H](O)CCN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O ZINC000159913291 545991346 /nfs/dbraw/zinc/99/13/46/545991346.db2.gz UWHDTAPORUFHGU-RDTXWAMCSA-N -1 0 370.449 2.379 20 70 FEIDRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)n1 ZINC000160828342 546076243 /nfs/dbraw/zinc/07/62/43/546076243.db2.gz WOSRFZXNWJZLHP-SJLPKXTDSA-N -1 0 367.380 2.414 20 70 FEIDRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc(C(=O)OC)n(C)c2)n[nH]1 ZINC000159867619 545987647 /nfs/dbraw/zinc/98/76/47/545987647.db2.gz QRDSQCPIPDUXHU-SNVBAGLBSA-N -1 0 354.432 2.239 20 70 FEIDRM CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000161128856 546103027 /nfs/dbraw/zinc/10/30/27/546103027.db2.gz XUHZIUGWCZPHAT-LBPRGKRZSA-N -1 0 354.453 2.229 20 70 FEIDRM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccnn2C(C)C)c1 ZINC000159514936 326933972 /nfs/dbraw/zinc/93/39/72/326933972.db2.gz CNZQYQYYXCULMJ-UHFFFAOYSA-N -1 0 357.457 2.058 20 70 FEIDRM Cn1cnc(S(=O)(=O)[N-]c2nnc(-c3ccsc3)s2)c1Cl ZINC000159924537 326947166 /nfs/dbraw/zinc/94/71/66/326947166.db2.gz QHPSGEWCSIKRFO-UHFFFAOYSA-N -1 0 361.861 2.454 20 70 FEIDRM CCc1cc([N-]S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)n(C)n1 ZINC000160922291 326982251 /nfs/dbraw/zinc/98/22/51/326982251.db2.gz OPFMWRMGDALONW-UHFFFAOYSA-N -1 0 363.418 2.417 20 70 FEIDRM O=S(=O)([N-]c1ccn(CC(F)(F)F)n1)c1ccc2c(c1)OCCO2 ZINC000160254844 546022528 /nfs/dbraw/zinc/02/25/28/546022528.db2.gz FDBHWCJLTPYYLR-UHFFFAOYSA-N -1 0 363.317 2.017 20 70 FEIDRM COc1ccc(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)cc1OC ZINC000160263402 546024176 /nfs/dbraw/zinc/02/41/76/546024176.db2.gz XCYNNSXMGFROQM-UHFFFAOYSA-N -1 0 365.333 2.263 20 70 FEIDRM O=S(=O)([N-][C@H](CO)Cc1c[nH]c2ccccc12)c1c(F)cccc1F ZINC000161244849 326993091 /nfs/dbraw/zinc/99/30/91/326993091.db2.gz ZDVLBFCLIZRDPZ-LBPRGKRZSA-N -1 0 366.389 2.328 20 70 FEIDRM CCOc1ccccc1C(=O)NCC(=O)Nc1n[nH]c(-c2ccc(C)o2)n1 ZINC000160238743 546019724 /nfs/dbraw/zinc/01/97/24/546019724.db2.gz LQXKGNLDBIVUDH-UHFFFAOYSA-N -1 0 369.381 2.140 20 70 FEIDRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)c1 ZINC000160684211 546062251 /nfs/dbraw/zinc/06/22/51/546062251.db2.gz CCBGCNMPKFDSNP-INIZCTEOSA-N -1 0 364.405 2.206 20 70 FEIDRM Cc1ccc(C)c(N2N=C(C(=O)[N-]OCc3cccnc3)CCC2=O)c1 ZINC000160826762 546075406 /nfs/dbraw/zinc/07/54/06/546075406.db2.gz UVJFQWCABQCOMU-UHFFFAOYSA-N -1 0 352.394 2.429 20 70 FEIDRM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1ccnn1CC(C)C ZINC000160886357 546081635 /nfs/dbraw/zinc/08/16/35/546081635.db2.gz BXQMZXYGWSDMRT-UHFFFAOYSA-N -1 0 355.391 2.266 20 70 FEIDRM Cc1ccn2c(c1)nnc2[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000159840017 326943896 /nfs/dbraw/zinc/94/38/96/326943896.db2.gz ZUYGNVIVKKSAPU-UHFFFAOYSA-N -1 0 371.422 2.068 20 70 FEIDRM Cc1ccc(C)c([C@H]2CCCN2C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)c1 ZINC000160684348 326973760 /nfs/dbraw/zinc/97/37/60/326973760.db2.gz CCBGCNMPKFDSNP-MRXNPFEDSA-N -1 0 364.405 2.206 20 70 FEIDRM CC(C)Sc1n[nH]c([N-]S(=O)(=O)c2c(Cl)nc3ccccn32)n1 ZINC000160945598 326982905 /nfs/dbraw/zinc/98/29/05/326982905.db2.gz WXQHEZJXJSIOAP-UHFFFAOYSA-N -1 0 372.863 2.407 20 70 FEIDRM C[C@H](O)CCN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O ZINC000159913162 545991338 /nfs/dbraw/zinc/99/13/38/545991338.db2.gz UWHDTAPORUFHGU-KBXCAEBGSA-N -1 0 370.449 2.379 20 70 FEIDRM Cc1cccc(OC[C@@H](O)CNS(=O)(=O)c2cc(F)c(C)cc2F)c1 ZINC000159931857 545993158 /nfs/dbraw/zinc/99/31/58/545993158.db2.gz FNKUCIYWLFWYEC-ZDUSSCGKSA-N -1 0 371.405 2.300 20 70 FEIDRM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)C2CC3(C2)NC(=O)NC3=O)cc1 ZINC000160211742 546017610 /nfs/dbraw/zinc/01/76/10/546017610.db2.gz CXSKUAQJKFHOFZ-JWBFORJRSA-N -1 0 355.438 2.283 20 70 FEIDRM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1ccn(CC(F)(F)F)n1 ZINC000160237349 546019991 /nfs/dbraw/zinc/01/99/91/546019991.db2.gz FICWJNDCPTWNDT-UHFFFAOYSA-N -1 0 367.324 2.405 20 70 FEIDRM CCc1c([N-]S(=O)(=O)c2cc(C(=O)OC)co2)cnn1CC(C)C ZINC000160400246 546037530 /nfs/dbraw/zinc/03/75/30/546037530.db2.gz IIRSLMBDEPVCSV-UHFFFAOYSA-N -1 0 355.416 2.282 20 70 FEIDRM COc1ccc(CC(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)cc1 ZINC000216725758 548678398 /nfs/dbraw/zinc/67/83/98/548678398.db2.gz YBWBKUWKQLQGAB-UHFFFAOYSA-N -1 0 358.360 2.155 20 70 FEIDRM O=S(=O)([N-][C@@H](CO)Cc1c[nH]c2ccccc12)c1c(F)cccc1F ZINC000161244973 326992901 /nfs/dbraw/zinc/99/29/01/326992901.db2.gz ZDVLBFCLIZRDPZ-GFCCVEGCSA-N -1 0 366.389 2.328 20 70 FEIDRM CCN1CCc2nc([N-]S(=O)(=O)c3sccc3OC)sc2C1 ZINC000159483142 545957329 /nfs/dbraw/zinc/95/73/29/545957329.db2.gz KNRGKSFFCROKEE-UHFFFAOYSA-N -1 0 359.498 2.392 20 70 FEIDRM C[C@H](O)CCN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O ZINC000159912867 545991249 /nfs/dbraw/zinc/99/12/49/545991249.db2.gz UWHDTAPORUFHGU-KSSFIOAISA-N -1 0 370.449 2.379 20 70 FEIDRM C[C@@H](O)CCN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O ZINC000159913020 545991320 /nfs/dbraw/zinc/99/13/20/545991320.db2.gz UWHDTAPORUFHGU-KDOFPFPSSA-N -1 0 370.449 2.379 20 70 FEIDRM CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]c1nncs1 ZINC000160551565 546051044 /nfs/dbraw/zinc/05/10/44/546051044.db2.gz XXERBWXNKUTCTM-UHFFFAOYSA-N -1 0 354.457 2.211 20 70 FEIDRM CN(C)c1ccc(Br)c(S(=O)(=O)[N-]c2ccnn2C)c1 ZINC000159590033 326936270 /nfs/dbraw/zinc/93/62/70/326936270.db2.gz UCYLRIOWKRLOBS-UHFFFAOYSA-N -1 0 359.249 2.049 20 70 FEIDRM COC(=O)c1cc(S(=O)(=O)[N-]c2nccc3sccc32)cn1C ZINC000160910398 326982009 /nfs/dbraw/zinc/98/20/09/326982009.db2.gz VKOTWBNDNQQFTQ-UHFFFAOYSA-N -1 0 351.409 2.222 20 70 FEIDRM CCCCc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)n[nH]1 ZINC000159960868 545994352 /nfs/dbraw/zinc/99/43/52/545994352.db2.gz NGHPBBVHONWOEC-UHFFFAOYSA-N -1 0 362.455 2.462 20 70 FEIDRM O=S(=O)([N-]c1ccn(CC(F)(F)F)n1)c1cnn(-c2ccccc2)c1 ZINC000160208569 546017512 /nfs/dbraw/zinc/01/75/12/546017512.db2.gz MSJWRMYUMDTLIA-UHFFFAOYSA-N -1 0 371.344 2.432 20 70 FEIDRM CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C1 ZINC000160592529 326970635 /nfs/dbraw/zinc/97/06/35/326970635.db2.gz DDKAAACLFHMALM-YPMHNXCESA-N -1 0 361.373 2.179 20 70 FEIDRM CS(=O)(=O)[N-]c1ccccc1C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000159550804 545962716 /nfs/dbraw/zinc/96/27/16/545962716.db2.gz SSHANTVQOGBOOE-ZDUSSCGKSA-N -1 0 352.456 2.280 20 70 FEIDRM CC[C@@H](NS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1)c1nccs1 ZINC000159954171 545995237 /nfs/dbraw/zinc/99/52/37/545995237.db2.gz HHQGAZONMMTIPR-GFCCVEGCSA-N -1 0 368.484 2.137 20 70 FEIDRM Cc1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1C(=O)Nc1ccc(F)c(F)c1 ZINC000160115561 546009016 /nfs/dbraw/zinc/00/90/16/546009016.db2.gz VVGBPTWOBJGPIA-CQSZACIVSA-N -1 0 359.336 2.349 20 70 FEIDRM Cc1cc(C(=O)NC[C@H](O)C(C)C)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000159755537 326940866 /nfs/dbraw/zinc/94/08/66/326940866.db2.gz VQGQUENYSKWKBT-LBPRGKRZSA-N -1 0 368.377 2.003 20 70 FEIDRM CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2nccc3sccc32)cn1C ZINC000160918039 326981905 /nfs/dbraw/zinc/98/19/05/326981905.db2.gz HODDYOJBNOPHHQ-UHFFFAOYSA-N -1 0 364.452 2.137 20 70 FEIDRM CCOc1ccc(S(=O)(=O)[N-]c2ccn(C)n2)cc1Br ZINC000160968091 326983649 /nfs/dbraw/zinc/98/36/49/326983649.db2.gz ZGDWQHZKKCYYCP-UHFFFAOYSA-N -1 0 360.233 2.382 20 70 FEIDRM CC[C@H](NS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1)c1nccs1 ZINC000159954045 545994649 /nfs/dbraw/zinc/99/46/49/545994649.db2.gz HHQGAZONMMTIPR-LBPRGKRZSA-N -1 0 368.484 2.137 20 70 FEIDRM Cc1cc([N-]S(=O)(=O)c2cc(N(C)C)ccc2Br)n(C)n1 ZINC000159582444 326935908 /nfs/dbraw/zinc/93/59/08/326935908.db2.gz URFIDZAALGYSFF-UHFFFAOYSA-N -1 0 373.276 2.358 20 70 FEIDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)cc1 ZINC000160216077 326957628 /nfs/dbraw/zinc/95/76/28/326957628.db2.gz VEPJDBIVVYKIPC-UHFFFAOYSA-N -1 0 363.317 2.033 20 70 FEIDRM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1nnc(C(F)F)s1 ZINC000161092125 326987755 /nfs/dbraw/zinc/98/77/55/326987755.db2.gz CLNLSKDEUGIREF-UHFFFAOYSA-N -1 0 368.369 2.412 20 70 FEIDRM COc1ccsc1S(=O)(=O)[N-]c1nncn1Cc1ccccc1 ZINC000159734473 545976041 /nfs/dbraw/zinc/97/60/41/545976041.db2.gz CZHUYRZWUNHDFP-UHFFFAOYSA-N -1 0 350.425 2.197 20 70 FEIDRM Cc1ccc(-c2nc(NC(=O)CCc3nc(-c4ccncc4)no3)n[nH]2)o1 ZINC000160358746 546032915 /nfs/dbraw/zinc/03/29/15/546032915.db2.gz FNNZRFGUQRIDBI-UHFFFAOYSA-N -1 0 365.353 2.389 20 70 FEIDRM COC(=O)c1ncsc1S(=O)(=O)[N-]C1CC(c2ccccc2)C1 ZINC000161153387 546104539 /nfs/dbraw/zinc/10/45/39/546104539.db2.gz OAUQIJOYRISUOK-UHFFFAOYSA-N -1 0 352.437 2.154 20 70 FEIDRM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccn(CC(F)(F)F)n1 ZINC000160281671 326960313 /nfs/dbraw/zinc/96/03/13/326960313.db2.gz XSCWULIMNMBBNP-UHFFFAOYSA-N -1 0 363.317 2.033 20 70 FEIDRM COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)n1 ZINC000161357129 326996617 /nfs/dbraw/zinc/99/66/17/326996617.db2.gz IWEQNAFNBPILQB-UHFFFAOYSA-N -1 0 357.457 2.216 20 70 FEIDRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1C[C@H]1c1c(F)cccc1F ZINC000161471837 327000390 /nfs/dbraw/zinc/00/03/90/327000390.db2.gz LNVLNMUZNQWMMP-XCBNKYQSSA-N -1 0 374.390 2.042 20 70 FEIDRM C[C@@H](CO)CNC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000159590309 545965236 /nfs/dbraw/zinc/96/52/36/545965236.db2.gz NFXVDKFKYWNCGJ-ZCFIWIBFSA-N -1 0 367.037 2.275 20 70 FEIDRM COc1ccc([N-]S(=O)(=O)c2cnn(Cc3ccccc3)c2)c(C)n1 ZINC000160682959 546062827 /nfs/dbraw/zinc/06/28/27/546062827.db2.gz LYFVKXMPNXHCPB-UHFFFAOYSA-N -1 0 358.423 2.444 20 70 FEIDRM Cc1n[nH]cc1[N-]S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000159746158 326940758 /nfs/dbraw/zinc/94/07/58/326940758.db2.gz GOGKZMIIPMNRAM-UHFFFAOYSA-N -1 0 359.249 2.347 20 70 FEIDRM Cc1cccc(C)c1OC[C@@H](NC(=O)c1nc(=O)[nH][n-]1)c1ccccc1 ZINC000160356349 326962519 /nfs/dbraw/zinc/96/25/19/326962519.db2.gz QIUGMQXGNKUZDD-OAHLLOKOSA-N -1 0 352.394 2.265 20 70 FEIDRM COCCNC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000160642747 326972337 /nfs/dbraw/zinc/97/23/37/326972337.db2.gz CBMIGZHEFJJDTE-UHFFFAOYSA-N -1 0 353.010 2.293 20 70 FEIDRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NCc2ccccc2CO)n1 ZINC000160933247 326982643 /nfs/dbraw/zinc/98/26/43/326982643.db2.gz FFOYDKWZXGCIDU-UHFFFAOYSA-N -1 0 355.369 2.448 20 70 FEIDRM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccccc1O[C@@H]1CCOC1 ZINC000161037552 326985801 /nfs/dbraw/zinc/98/58/01/326985801.db2.gz ITWOZCDOVSQQFX-LLVKDONJSA-N -1 0 371.846 2.350 20 70 FEIDRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1c(F)cccc1F ZINC000161471730 327000495 /nfs/dbraw/zinc/00/04/95/327000495.db2.gz LNVLNMUZNQWMMP-GMSGAONNSA-N -1 0 374.390 2.042 20 70 FEIDRM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(F)c2)c1 ZINC000159978127 545996602 /nfs/dbraw/zinc/99/66/02/545996602.db2.gz BIIOSMYXFNWLTH-UHFFFAOYSA-N -1 0 350.371 2.318 20 70 FEIDRM COc1ccccc1CC(=O)N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000216738013 548679082 /nfs/dbraw/zinc/67/90/82/548679082.db2.gz AXWBYGXYKRZSQK-UHFFFAOYSA-N -1 0 358.360 2.155 20 70 FEIDRM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)c1 ZINC000159656238 326938174 /nfs/dbraw/zinc/93/81/74/326938174.db2.gz CNPULNSSMHQXKD-UHFFFAOYSA-N -1 0 360.844 2.329 20 70 FEIDRM Cc1cc(C[C@@H](C)NC(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])[nH]n1 ZINC000161181664 326990871 /nfs/dbraw/zinc/99/08/71/326990871.db2.gz QUUQFJJWKGNIRE-LLVKDONJSA-N -1 0 357.389 2.418 20 70 FEIDRM Cc1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1C(=O)Nc1ccc(F)c(F)c1 ZINC000160115478 546009502 /nfs/dbraw/zinc/00/95/02/546009502.db2.gz VVGBPTWOBJGPIA-AWEZNQCLSA-N -1 0 359.336 2.349 20 70 FEIDRM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)c1 ZINC000160240214 326958472 /nfs/dbraw/zinc/95/84/72/326958472.db2.gz UFSAVBSIDBAATJ-UHFFFAOYSA-N -1 0 363.317 2.033 20 70 FEIDRM COC(=O)c1ncsc1S(=O)(=O)[N-]CC(C)(C)c1cccc(F)c1 ZINC000161510402 327001419 /nfs/dbraw/zinc/00/14/19/327001419.db2.gz USLQRUKIROFHRD-UHFFFAOYSA-N -1 0 372.443 2.325 20 70 FEIDRM CCCCn1ncc([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)c1C ZINC000160198540 546016936 /nfs/dbraw/zinc/01/69/36/546016936.db2.gz CPZWBNRPPLLORT-UHFFFAOYSA-N -1 0 371.484 2.196 20 70 FEIDRM O=S(=O)([N-]c1nccc2sccc21)c1cnn([C@@H]2CCOC2)c1 ZINC000160929617 546085594 /nfs/dbraw/zinc/08/55/94/546085594.db2.gz ZBQGLSFLDIDLQI-SNVBAGLBSA-N -1 0 350.425 2.255 20 70 FEIDRM COc1ccc(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)cc1F ZINC000160273769 326959987 /nfs/dbraw/zinc/95/99/87/326959987.db2.gz HRHNHYHXCZAAOO-UHFFFAOYSA-N -1 0 353.297 2.394 20 70 FEIDRM COC(=O)c1ncsc1S(=O)(=O)[N-]CCc1ccccc1Cl ZINC000160903126 326981267 /nfs/dbraw/zinc/98/12/67/326981267.db2.gz DRVROSJQIXBJGL-UHFFFAOYSA-N -1 0 360.844 2.104 20 70 FEIDRM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)n(C)n2)cc1 ZINC000161502064 327001169 /nfs/dbraw/zinc/00/11/69/327001169.db2.gz SFJHQNQFBRDYDU-UHFFFAOYSA-N -1 0 350.444 2.011 20 70 FEIDRM C[C@H](CNC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1)c1nccs1 ZINC000159654604 545970261 /nfs/dbraw/zinc/97/02/61/545970261.db2.gz PTCNRTHLAJZAOI-SECBINFHSA-N -1 0 363.468 2.386 20 70 FEIDRM COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000160035357 546002649 /nfs/dbraw/zinc/00/26/49/546002649.db2.gz ATBCXWMNEREVIG-INIZCTEOSA-N -1 0 369.389 2.169 20 70 FEIDRM COC(=O)c1ncsc1S(=O)(=O)[N-]CCc1ccc(Cl)s1 ZINC000160847422 546077414 /nfs/dbraw/zinc/07/74/14/546077414.db2.gz HGPMEUXVTJKXMJ-UHFFFAOYSA-N -1 0 366.873 2.166 20 70 FEIDRM Cn1cnc(S(=O)(=O)[N-]c2ccccc2O[C@H]2CCOC2)c1Cl ZINC000161034289 546095189 /nfs/dbraw/zinc/09/51/89/546095189.db2.gz YXWBCPKGIUMRBA-JTQLQIEISA-N -1 0 357.819 2.042 20 70 FEIDRM CCC[C@@H](CCO)CNC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O ZINC000161169994 546105597 /nfs/dbraw/zinc/10/55/97/546105597.db2.gz VMOIBFPBNDAHNB-NSHDSACASA-N -1 0 362.879 2.240 20 70 FEIDRM C[C@H](CCO)CNC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000161014608 326985097 /nfs/dbraw/zinc/98/50/97/326985097.db2.gz BRULXUDEXJYQHA-GFCCVEGCSA-N -1 0 368.480 2.297 20 70 FEIDRM COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1c1ccccc1 ZINC000161324599 326995908 /nfs/dbraw/zinc/99/59/08/326995908.db2.gz WUDIRGRHIOWGEX-RYUDHWBXSA-N -1 0 352.437 2.012 20 70 FEIDRM O=C1NCCc2ccc(S(=O)(=O)[N-]c3nccc4sccc43)cc21 ZINC000160922199 326982369 /nfs/dbraw/zinc/98/23/69/326982369.db2.gz BVWLEKNAMVJYST-UHFFFAOYSA-N -1 0 359.432 2.383 20 70 FEIDRM O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccnc(OCC(F)(F)F)c1 ZINC000161484473 327000612 /nfs/dbraw/zinc/00/06/12/327000612.db2.gz ABKGDNRUAQDGAC-UHFFFAOYSA-N -1 0 364.287 2.455 20 70 FEIDRM CCCCc1cc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)n[nH]1 ZINC000159962578 545996284 /nfs/dbraw/zinc/99/62/84/545996284.db2.gz FXMACYCADYFTCJ-UHFFFAOYSA-N -1 0 350.444 2.255 20 70 FEIDRM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccn(CCCOC)n2)c1 ZINC000160025157 546000952 /nfs/dbraw/zinc/00/09/52/546000952.db2.gz HHPMUOHSIFDKIV-UHFFFAOYSA-N -1 0 351.428 2.313 20 70 FEIDRM COCCNC(=O)CNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000160027027 546001448 /nfs/dbraw/zinc/00/14/48/546001448.db2.gz DSYFGQJHRDCAQO-UHFFFAOYSA-N -1 0 362.813 2.205 20 70 FEIDRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)n1 ZINC000160828210 546076072 /nfs/dbraw/zinc/07/60/72/546076072.db2.gz WOSRFZXNWJZLHP-WMZOPIPTSA-N -1 0 367.380 2.414 20 70 FEIDRM CC(C)Sc1n[nH]c([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)n1 ZINC000160953337 546087602 /nfs/dbraw/zinc/08/76/02/546087602.db2.gz CPEPHECAZWNJQW-UHFFFAOYSA-N -1 0 364.456 2.292 20 70 FEIDRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000161239128 546112949 /nfs/dbraw/zinc/11/29/49/546112949.db2.gz NDTHGNLWNGGPFM-WDEREUQCSA-N -1 0 372.855 2.418 20 70 FEIDRM CN(C)c1ccc(C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)cc1 ZINC000216736986 548679010 /nfs/dbraw/zinc/67/90/10/548679010.db2.gz KGFRBFAHUXXTIG-UHFFFAOYSA-N -1 0 357.376 2.283 20 70 FEIDRM COc1cc(OC)cc(C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)c1 ZINC000216726402 548679065 /nfs/dbraw/zinc/67/90/65/548679065.db2.gz WJWPGPYFOZCLHA-UHFFFAOYSA-N -1 0 374.359 2.235 20 70 FEIDRM CCn1cc(S(=O)(=O)[N-]c2nc(SCc3ccccc3)n[nH]2)cn1 ZINC000160437907 326965806 /nfs/dbraw/zinc/96/58/06/326965806.db2.gz OKFPRRZURAFWLB-UHFFFAOYSA-N -1 0 364.456 2.114 20 70 FEIDRM C[C@@H](CO)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000160468007 546042840 /nfs/dbraw/zinc/04/28/40/546042840.db2.gz QTXIVWJDCLSLHN-NSHDSACASA-N -1 0 354.453 2.002 20 70 FEIDRM Cc1noc(Cl)c1CC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000159457195 326932380 /nfs/dbraw/zinc/93/23/80/326932380.db2.gz FSRGLCGQZVJUEJ-UHFFFAOYSA-N -1 0 352.803 2.136 20 70 FEIDRM O=C1Cc2cc(S(=O)(=O)[N-]c3cc(O)cc(F)c3)c(Cl)cc2N1 ZINC000161292749 326994697 /nfs/dbraw/zinc/99/46/97/326994697.db2.gz QZJAYFBZAYZMMX-UHFFFAOYSA-N -1 0 356.762 2.480 20 70 FEIDRM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccnn2CC(C)C)c1 ZINC000159537849 545961733 /nfs/dbraw/zinc/96/17/33/545961733.db2.gz UQSUFCVVEGKJGF-UHFFFAOYSA-N -1 0 371.484 2.134 20 70 FEIDRM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)o1 ZINC000160218130 546017881 /nfs/dbraw/zinc/01/78/81/546017881.db2.gz ISGTWKOQLPAQNC-UHFFFAOYSA-N -1 0 367.305 2.016 20 70 FEIDRM Cc1ccc(-c2nc(NC(=O)CNC(=O)c3ccc(F)cc3F)n[nH]2)o1 ZINC000160358897 546032952 /nfs/dbraw/zinc/03/29/52/546032952.db2.gz QZJJZCWVYNRDTM-UHFFFAOYSA-N -1 0 361.308 2.020 20 70 FEIDRM COC(=O)c1ncsc1S(=O)(=O)[N-]CC1(c2ccccc2C)CC1 ZINC000161080505 546098794 /nfs/dbraw/zinc/09/87/94/546098794.db2.gz SWAPQTREOGHPFF-UHFFFAOYSA-N -1 0 366.464 2.248 20 70 FEIDRM COC(=O)c1ncsc1S(=O)(=O)[N-]Cc1c(C)cc(C)cc1C ZINC000160908954 326981698 /nfs/dbraw/zinc/98/16/98/326981698.db2.gz PEBWEEJDRFJOBZ-UHFFFAOYSA-N -1 0 354.453 2.333 20 70 FEIDRM CCOC(=O)c1ccc(F)c(C)c1[N-]S(=O)(=O)c1cnn(CC)c1 ZINC000161253347 326993117 /nfs/dbraw/zinc/99/31/17/326993117.db2.gz WCMKEDSFDZUAKP-UHFFFAOYSA-N -1 0 355.391 2.328 20 70 FEIDRM COC(=O)c1ncsc1S(=O)(=O)[N-]CC(C)(C)c1cccc(C)c1 ZINC000160907773 546083192 /nfs/dbraw/zinc/08/31/92/546083192.db2.gz RUYFJBXETPXOKX-UHFFFAOYSA-N -1 0 368.480 2.494 20 70 FEIDRM Cn1cc(S(=O)(=O)[N-]c2cnn(-c3ccc(C(F)(F)F)cc3)c2)cn1 ZINC000160292234 326960492 /nfs/dbraw/zinc/96/04/92/326960492.db2.gz RRNDKFHAHGGEAH-UHFFFAOYSA-N -1 0 371.344 2.425 20 70 FEIDRM CC(=O)N1CCC(C(=O)[N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)CC1 ZINC000160525079 326968634 /nfs/dbraw/zinc/96/86/34/326968634.db2.gz VLKIICXVLRHXHW-UHFFFAOYSA-N -1 0 372.512 2.109 20 70 FEIDRM CCc1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1CC ZINC000159901038 545990121 /nfs/dbraw/zinc/99/01/21/545990121.db2.gz VFNQKDRSAXLIHS-UHFFFAOYSA-N -1 0 368.480 2.260 20 70 FEIDRM CCCCc1cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)OC)n[nH]1 ZINC000159958899 326948496 /nfs/dbraw/zinc/94/84/96/326948496.db2.gz MZNAGPXBYJDSNE-UHFFFAOYSA-N -1 0 355.391 2.479 20 70 FEIDRM Cc1ccc(-n2[n-]c(C(=O)N(C)c3ccc4c(c3)OCO4)cc2=O)cc1 ZINC000160536383 326968731 /nfs/dbraw/zinc/96/87/31/326968731.db2.gz KTKLEDDZHOKYAP-UHFFFAOYSA-N -1 0 351.362 2.479 20 70 FEIDRM COC(=O)c1ncsc1S(=O)(=O)[N-]Cc1oc2ccccc2c1C ZINC000161441435 326999616 /nfs/dbraw/zinc/99/96/16/326999616.db2.gz KLHZFWJHONXKIR-UHFFFAOYSA-N -1 0 366.420 2.463 20 70 FEIDRM CCS(=O)(=O)c1ccc(C(=O)Nc2n[nH]c(-c3ccc(C)o3)n2)cc1 ZINC000160233820 546019922 /nfs/dbraw/zinc/01/99/22/546019922.db2.gz VGELJTXDWQBQAV-UHFFFAOYSA-N -1 0 360.395 2.419 20 70 FEIDRM NC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)cc1 ZINC000161094875 326987821 /nfs/dbraw/zinc/98/78/21/326987821.db2.gz ORJPCJXYWFUSAN-UHFFFAOYSA-N -1 0 360.313 2.327 20 70 FEIDRM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCO[C@H](c2cccs2)C1 ZINC000161504295 327001167 /nfs/dbraw/zinc/00/11/67/327001167.db2.gz FOFAQNIWKSQHPO-AWEZNQCLSA-N -1 0 366.464 2.333 20 70 FEIDRM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)n[nH]1 ZINC000159889449 545989542 /nfs/dbraw/zinc/98/95/42/545989542.db2.gz GPPHYNRULQLZOM-NSHDSACASA-N -1 0 362.455 2.400 20 70 FEIDRM CC(C)(C)C(=O)Cn1cc(C(=O)Nc2n[nH]c(-c3ccccc3F)n2)nn1 ZINC000160620834 546056742 /nfs/dbraw/zinc/05/67/42/546056742.db2.gz KDRBXZAGHJZTML-UHFFFAOYSA-N -1 0 371.376 2.070 20 70 FEIDRM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)Cc1ccc(F)cc1Cl ZINC000160687538 546063264 /nfs/dbraw/zinc/06/32/64/546063264.db2.gz SATOOKCSQVEFPP-UHFFFAOYSA-N -1 0 362.792 2.291 20 70 FEIDRM O=C(CCOc1ccccc1)N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000216733798 548679192 /nfs/dbraw/zinc/67/91/92/548679192.db2.gz JANAGNNBYPEMJL-UHFFFAOYSA-N -1 0 358.360 2.373 20 70 FEIDRM COc1cccc(Cc2nnc([N-]S(=O)(=O)c3cccnc3)s2)c1 ZINC000160071966 546005028 /nfs/dbraw/zinc/00/50/28/546005028.db2.gz ZTYKJOJVSDHJCF-UHFFFAOYSA-N -1 0 362.436 2.333 20 70 FEIDRM CCCCn1ncc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c1C ZINC000160191962 546015220 /nfs/dbraw/zinc/01/52/20/546015220.db2.gz UYQWNQOEDAQVBP-UHFFFAOYSA-N -1 0 371.484 2.196 20 70 FEIDRM NC(=O)NCc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])cc1 ZINC000160252007 546022537 /nfs/dbraw/zinc/02/25/37/546022537.db2.gz NMGRDUYZXDHLCC-UHFFFAOYSA-N -1 0 369.356 2.138 20 70 FEIDRM O=C([N-]OCc1ccc(C(F)(F)F)cc1)c1cnc2n(c1=O)CCS2 ZINC000160624928 326971879 /nfs/dbraw/zinc/97/18/79/326971879.db2.gz IBUHRUNEZFOLNI-UHFFFAOYSA-N -1 0 371.340 2.229 20 70 FEIDRM Cn1ccc([N-]S(=O)(=O)c2cc(F)c(Br)cc2F)n1 ZINC000160000697 545997763 /nfs/dbraw/zinc/99/77/63/545997763.db2.gz LNAFYTATWPLNPX-UHFFFAOYSA-N -1 0 352.160 2.262 20 70 FEIDRM Cn1cc([N-]S(=O)(=O)c2cc(F)c(Br)cc2F)cn1 ZINC000160049159 326951800 /nfs/dbraw/zinc/95/18/00/326951800.db2.gz YJYBDNMWYFMXSJ-UHFFFAOYSA-N -1 0 352.160 2.262 20 70 FEIDRM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]c(C)c2C)cc1 ZINC000160500092 546047054 /nfs/dbraw/zinc/04/70/54/546047054.db2.gz UVPJYJGJJAPXOC-UHFFFAOYSA-N -1 0 350.444 2.309 20 70 FEIDRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)s1 ZINC000161093360 546099506 /nfs/dbraw/zinc/09/95/06/546099506.db2.gz ZVBZTUGTVHBHCT-UHFFFAOYSA-N -1 0 374.509 2.494 20 70 FEIDRM Cc1cc(C[C@H](C)NC(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])[nH]n1 ZINC000161181545 546107559 /nfs/dbraw/zinc/10/75/59/546107559.db2.gz QUUQFJJWKGNIRE-NSHDSACASA-N -1 0 357.389 2.418 20 70 FEIDRM CCOc1ccc(S(=O)(=O)[N-]c2cnn(C)c2)cc1Br ZINC000160975900 326983793 /nfs/dbraw/zinc/98/37/93/326983793.db2.gz JKGYDBNSQZCBCN-UHFFFAOYSA-N -1 0 360.233 2.382 20 70 FEIDRM CCC[C@H](CCO)CNC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O ZINC000161170119 546107010 /nfs/dbraw/zinc/10/70/10/546107010.db2.gz VMOIBFPBNDAHNB-LLVKDONJSA-N -1 0 362.879 2.240 20 70 FEIDRM CCCCn1ncc([N-]S(=O)(=O)c2cc(C(=O)OC)c(C)o2)c1C ZINC000160180216 326956266 /nfs/dbraw/zinc/95/62/66/326956266.db2.gz OMGCTEAIURDECI-UHFFFAOYSA-N -1 0 355.416 2.480 20 70 FEIDRM Cc1ccc(C(=O)NCCC(=O)N[C@@H]2CCOC3(CCCC3)C2)c(O)c1 ZINC000159470213 545956233 /nfs/dbraw/zinc/95/62/33/545956233.db2.gz DYILBFRDHLBYQG-OAHLLOKOSA-N -1 0 360.454 2.429 20 70 FEIDRM C[C@H](O)CCNC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000159546361 326935042 /nfs/dbraw/zinc/93/50/42/326935042.db2.gz AYLDHJMEFBRLIO-LURJTMIESA-N -1 0 367.037 2.418 20 70 FEIDRM COc1ccsc1S(=O)(=O)[N-]c1ccc(-n2ccnc2C)nc1 ZINC000159610098 326936701 /nfs/dbraw/zinc/93/67/01/326936701.db2.gz SOVSSLKXIAAGLI-UHFFFAOYSA-N -1 0 350.425 2.447 20 70 FEIDRM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(=O)C2(C)CCCCC2)cc1 ZINC000159650715 326937970 /nfs/dbraw/zinc/93/79/70/326937970.db2.gz FQXNMXQAFVEIAO-UHFFFAOYSA-N -1 0 352.456 2.164 20 70 FEIDRM O=C(NCC1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1)C(F)(F)F ZINC000216733467 548679033 /nfs/dbraw/zinc/67/90/33/548679033.db2.gz KCGDFCAWTRTJOI-UHFFFAOYSA-N -1 0 354.332 2.094 20 70 FEIDRM CN(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)nc1 ZINC000159727995 326940057 /nfs/dbraw/zinc/94/00/57/326940057.db2.gz SHUFEVJZVXGOCK-UHFFFAOYSA-N -1 0 360.439 2.178 20 70 FEIDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)cc1 ZINC000160247497 546020929 /nfs/dbraw/zinc/02/09/29/546020929.db2.gz HFVCBCUTWYSMDO-UHFFFAOYSA-N -1 0 362.333 2.205 20 70 FEIDRM C[C@H](CO)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000160468105 546042929 /nfs/dbraw/zinc/04/29/29/546042929.db2.gz QTXIVWJDCLSLHN-LLVKDONJSA-N -1 0 354.453 2.002 20 70 FEIDRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H](C)Cc1ccc(C)cc1C ZINC000161266987 546114743 /nfs/dbraw/zinc/11/47/43/546114743.db2.gz QQQYVIDDYUHQNA-GFCCVEGCSA-N -1 0 368.480 2.456 20 70 FEIDRM CCCC1(CNC(=O)c2ccc(-n3[n-]c(CC(=O)OC)cc3=O)cc2)CC1 ZINC000160525291 326968571 /nfs/dbraw/zinc/96/85/71/326968571.db2.gz BOLAVDBEKBMJSF-UHFFFAOYSA-N -1 0 371.437 2.191 20 70 FEIDRM COC(=O)c1ncsc1S(=O)(=O)[N-]CC(C)(C)Cc1ccccc1 ZINC000161488127 327001023 /nfs/dbraw/zinc/00/10/23/327001023.db2.gz FTTCXJXUBQTFJT-UHFFFAOYSA-N -1 0 368.480 2.477 20 70 FEIDRM COc1ccc(S(=O)(=O)[N-]c2cc(C)n(C)n2)cc1Br ZINC000161501520 327001204 /nfs/dbraw/zinc/00/12/04/327001204.db2.gz WNJWJNWLINJESC-UHFFFAOYSA-N -1 0 360.233 2.300 20 70 FEIDRM CCOCCC1(CNC(=O)c2ccccc2[N-]S(C)(=O)=O)CCC1 ZINC000160322738 546030863 /nfs/dbraw/zinc/03/08/63/546030863.db2.gz FAPYTYGHAMEBGD-UHFFFAOYSA-N -1 0 354.472 2.385 20 70 FEIDRM CC[C@H](NS(=O)(=O)c1ccc(CCNC(C)=O)s1)c1nccs1 ZINC000159921513 545991408 /nfs/dbraw/zinc/99/14/08/545991408.db2.gz UZJVIOGPKXOIAS-LBPRGKRZSA-N -1 0 373.525 2.313 20 70 FEIDRM CC[C@@](C)(O)C[N-]S(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F ZINC000160322448 546030594 /nfs/dbraw/zinc/03/05/94/546030594.db2.gz NGHUCXIRZDHLSY-CYBMUJFWSA-N -1 0 370.805 2.016 20 70 FEIDRM CCOc1ccc(S(=O)(=O)[N-]c2ccnn2C)cc1Br ZINC000160623933 546056480 /nfs/dbraw/zinc/05/64/80/546056480.db2.gz HBDMPLCDFLQIRM-UHFFFAOYSA-N -1 0 360.233 2.382 20 70 FEIDRM COC(=O)c1ncsc1S(=O)(=O)[N-]CCc1c(C)cc(C)cc1C ZINC000160862506 326979846 /nfs/dbraw/zinc/97/98/46/326979846.db2.gz FKNLQXBZOMZUKN-UHFFFAOYSA-N -1 0 368.480 2.376 20 70 FEIDRM C[C@@H](CCO)CNC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000161014458 326985010 /nfs/dbraw/zinc/98/50/10/326985010.db2.gz BRULXUDEXJYQHA-LBPRGKRZSA-N -1 0 368.480 2.297 20 70 FEIDRM Cc1cc(C(=O)NC[C@@H](C)CCO)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000161060084 326986666 /nfs/dbraw/zinc/98/66/66/326986666.db2.gz WGFLAGKYZLAFTL-VIFPVBQESA-N -1 0 368.377 2.005 20 70 FEIDRM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(C)C)[nH]n2)cc1 ZINC000160655552 546060128 /nfs/dbraw/zinc/06/01/28/546060128.db2.gz ANGPKTUBCCWJTG-UHFFFAOYSA-N -1 0 357.457 2.128 20 70 FEIDRM COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@H]1C[C@@H]1c1ccccc1 ZINC000161324438 546120096 /nfs/dbraw/zinc/12/00/96/546120096.db2.gz WUDIRGRHIOWGEX-VXGBXAGGSA-N -1 0 352.437 2.012 20 70 FEIDRM CC(C)(CO)CCCNC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O ZINC000160370136 326963033 /nfs/dbraw/zinc/96/30/33/326963033.db2.gz QFJBWSRNGNNUEM-UHFFFAOYSA-N -1 0 362.879 2.240 20 70 FEIDRM C[C@H](O)CCN(C)C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000159914252 545991830 /nfs/dbraw/zinc/99/18/30/545991830.db2.gz BKMNCNWMACOUQG-JTQLQIEISA-N -1 0 357.332 2.440 20 70 FEIDRM CCCCn1ncc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c1C ZINC000160188341 546015532 /nfs/dbraw/zinc/01/55/32/546015532.db2.gz GJAOSEFQCGGKDL-UHFFFAOYSA-N -1 0 362.455 2.078 20 70 FEIDRM CC1(C)C[C@H]1C(=O)Nc1nnc([N-]S(=O)(=O)c2ccccc2)s1 ZINC000160380621 546035125 /nfs/dbraw/zinc/03/51/25/546035125.db2.gz MCRCTUJBXNZUSB-JTQLQIEISA-N -1 0 352.441 2.324 20 70 FEIDRM COC(=O)c1ncsc1S(=O)(=O)[N-]Cc1cc2ccccc2o1 ZINC000160845243 546077552 /nfs/dbraw/zinc/07/75/52/546077552.db2.gz GLNCTMIJOPSZPB-UHFFFAOYSA-N -1 0 352.393 2.154 20 70 FEIDRM COC(=O)c1ncsc1S(=O)(=O)[N-]CCc1ccc(C)cc1C ZINC000160890516 546081104 /nfs/dbraw/zinc/08/11/04/546081104.db2.gz IOMIUUPHZCIEHG-UHFFFAOYSA-N -1 0 354.453 2.068 20 70 FEIDRM CCOCCC1(CNC(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000161383434 546125372 /nfs/dbraw/zinc/12/53/72/546125372.db2.gz VXBLXBCQKTXMRC-UHFFFAOYSA-N -1 0 364.471 2.333 20 70 FEIDRM O=C([N-]S(=O)(=O)c1ccc2c(c1)COC2)c1noc2c1CCCCC2 ZINC000159638740 206225275 /nfs/dbraw/zinc/22/52/75/206225275.db2.gz RZQMJCDUTFFADU-UHFFFAOYSA-N -1 0 362.407 2.092 20 70 FEIDRM CCc1cnc([N-]S(=O)(=O)c2cccc(S(=O)(=O)CC)c2)s1 ZINC000159752997 326941059 /nfs/dbraw/zinc/94/10/59/326941059.db2.gz PMJXKNDCQXRNDC-UHFFFAOYSA-N -1 0 360.482 2.300 20 70 FEIDRM CS(=O)(=O)Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1F ZINC000161048805 326986061 /nfs/dbraw/zinc/98/60/61/326986061.db2.gz WIALAAJZYKHEMH-UHFFFAOYSA-N -1 0 361.391 2.310 20 70 FEIDRM COC(=O)c1ncsc1S(=O)(=O)[N-]CC(C)(C)c1ccc(C)cc1 ZINC000161157597 326990032 /nfs/dbraw/zinc/99/00/32/326990032.db2.gz ULXMOBTTYVCSGS-UHFFFAOYSA-N -1 0 368.480 2.494 20 70 FEIDRM CCCCn1ncc([N-]S(=O)(=O)c2ccc(C(=O)NC)cc2)c1C ZINC000160144678 546010990 /nfs/dbraw/zinc/01/09/90/546010990.db2.gz BWNZUJJJMVWEEB-UHFFFAOYSA-N -1 0 350.444 2.152 20 70 FEIDRM COc1ccc(CNC(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)cc1 ZINC000161006910 546092308 /nfs/dbraw/zinc/09/23/08/546092308.db2.gz DPASJUADAHWVOM-UHFFFAOYSA-N -1 0 358.423 2.335 20 70 FEIDRM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3nnc(C)s3)cc2F)c1 ZINC000161008278 546092957 /nfs/dbraw/zinc/09/29/57/546092957.db2.gz DVZIJJIULKDJOX-UHFFFAOYSA-N -1 0 353.404 2.281 20 70 FEIDRM COC(=O)[C@@H](C)NS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000161074422 546098299 /nfs/dbraw/zinc/09/82/99/546098299.db2.gz DDJYVAVTXYKUKH-RXMQYKEDSA-N -1 0 374.615 2.081 20 70 FEIDRM CN(C)c1ccc(Br)c(S(=O)(=O)[N-]c2nncs2)c1 ZINC000159699604 326939369 /nfs/dbraw/zinc/93/93/69/326939369.db2.gz NDIXMVZTQASYIT-UHFFFAOYSA-N -1 0 363.262 2.167 20 70 FEIDRM CC(C)n1cc(S(=O)(=O)[N-]c2ccccc2O[C@H]2CCOC2)cn1 ZINC000161039036 546094746 /nfs/dbraw/zinc/09/47/46/546094746.db2.gz JTYSLTJZIDJUDJ-ZDUSSCGKSA-N -1 0 351.428 2.433 20 70 FEIDRM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)c1 ZINC000160266811 326959699 /nfs/dbraw/zinc/95/96/99/326959699.db2.gz HEEXLOAKHOZIOR-UHFFFAOYSA-N -1 0 365.333 2.263 20 70 FEIDRM COC(=O)c1ncsc1S(=O)(=O)[N-]CC(C)(C)c1ccccc1C ZINC000161070133 326986851 /nfs/dbraw/zinc/98/68/51/326986851.db2.gz SZJPHMRYBHQLIG-UHFFFAOYSA-N -1 0 368.480 2.494 20 70 FEIDRM CC[C@H](C[N-]S(=O)(=O)c1scnc1C(=O)OC)c1ccccc1 ZINC000160800211 546073189 /nfs/dbraw/zinc/07/31/89/546073189.db2.gz ZFNCBJBUHRGOIJ-LLVKDONJSA-N -1 0 354.453 2.402 20 70 FEIDRM COC(=O)CN(C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)C1CCCC1 ZINC000160807087 546074043 /nfs/dbraw/zinc/07/40/43/546074043.db2.gz PEQMXKHBUNREJW-UHFFFAOYSA-N -1 0 357.410 2.032 20 70 FEIDRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2F ZINC000160886479 546080864 /nfs/dbraw/zinc/08/08/64/546080864.db2.gz VTNGODQUEKRYML-LLVKDONJSA-N -1 0 356.400 2.035 20 70 FEIDRM COc1cc(S(=O)(=O)[N-]c2nncs2)ccc1Br ZINC000160560594 326969512 /nfs/dbraw/zinc/96/95/12/326969512.db2.gz MMHMQTKQFLPEFP-UHFFFAOYSA-N -1 0 350.219 2.110 20 70 FEIDRM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1cc(Cl)ncc1Cl ZINC000160918592 546084707 /nfs/dbraw/zinc/08/47/07/546084707.db2.gz LQABCNPHTLEVSE-UHFFFAOYSA-N -1 0 357.197 2.288 20 70 FEIDRM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1n[nH]c2cccc(F)c21 ZINC000160971170 546089400 /nfs/dbraw/zinc/08/94/00/546089400.db2.gz ZMWIDQJKBDIPKQ-UHFFFAOYSA-N -1 0 367.333 2.429 20 70 FEIDRM Cc1cc(C(=O)NC[C@H](C)CCO)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000161060211 546097302 /nfs/dbraw/zinc/09/73/02/546097302.db2.gz WGFLAGKYZLAFTL-SECBINFHSA-N -1 0 368.377 2.005 20 70 FEIDRM CCCCn1ncc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1C ZINC000160178361 326956082 /nfs/dbraw/zinc/95/60/82/326956082.db2.gz YPUBQGVZYAZBFA-UHFFFAOYSA-N -1 0 371.484 2.196 20 70 FEIDRM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3nnc4ccccn43)cc2F)c1 ZINC000160904645 326981763 /nfs/dbraw/zinc/98/17/63/326981763.db2.gz YVBYHVYCTMAXQE-UHFFFAOYSA-N -1 0 372.385 2.163 20 70 FEIDRM CCCCn1ncc([N-]S(=O)(=O)c2cnc3c(c2)c(C)nn3C)c1C ZINC000160152640 546012846 /nfs/dbraw/zinc/01/28/46/546012846.db2.gz HAMXVUKHTJQNFR-UHFFFAOYSA-N -1 0 362.459 2.383 20 70 FEIDRM CC[C@@H](C[N-]S(=O)(=O)c1scnc1C(=O)OC)c1ccccc1 ZINC000160800065 546073672 /nfs/dbraw/zinc/07/36/72/546073672.db2.gz ZFNCBJBUHRGOIJ-NSHDSACASA-N -1 0 354.453 2.402 20 70 FEIDRM CC(C)(C)S(=O)(=O)CC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000159406957 326930658 /nfs/dbraw/zinc/93/06/58/326930658.db2.gz MVJIGFXSHPTKRM-UHFFFAOYSA-N -1 0 353.362 2.467 20 70 FEIDRM CCCCn1ncc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c1C ZINC000160175597 326956075 /nfs/dbraw/zinc/95/60/75/326956075.db2.gz QIZUPKNAFRIWLW-UHFFFAOYSA-N -1 0 362.455 2.311 20 70 FEIDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)s1 ZINC000160243568 326958731 /nfs/dbraw/zinc/95/87/31/326958731.db2.gz YREXJOVEHDJSQC-UHFFFAOYSA-N -1 0 369.346 2.094 20 70 FEIDRM Cc1cc(C(=O)N[C@H]2CCCc3sccc32)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000160451215 326965973 /nfs/dbraw/zinc/96/59/73/326965973.db2.gz NPGVPWVRKAVQLZ-JTQLQIEISA-N -1 0 356.407 2.201 20 70 FEIDRM O=S(=O)(Cc1cccc(F)c1)[N-]c1nc(CN2CCOCC2)cs1 ZINC000160874786 326980083 /nfs/dbraw/zinc/98/00/83/326980083.db2.gz FAYCNCXAYYDFNG-UHFFFAOYSA-N -1 0 371.459 2.056 20 70 FEIDRM Cc1cccc(OC[C@H](O)CNS(=O)(=O)c2cc(F)c(C)cc2F)c1 ZINC000159931743 545992572 /nfs/dbraw/zinc/99/25/72/545992572.db2.gz FNKUCIYWLFWYEC-CYBMUJFWSA-N -1 0 371.405 2.300 20 70 FEIDRM CCOc1ccc(C(=O)NCC(=O)Nc2n[nH]c(-c3ccc(C)o3)n2)cc1 ZINC000160255407 546023286 /nfs/dbraw/zinc/02/32/86/546023286.db2.gz AXLSYOSYDWGPQS-UHFFFAOYSA-N -1 0 369.381 2.140 20 70 FEIDRM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1ccccc1N(C)C ZINC000160911792 546084246 /nfs/dbraw/zinc/08/42/46/546084246.db2.gz DGQJZTGXFFQTJR-UHFFFAOYSA-N -1 0 352.387 2.479 20 70 FEIDRM Cc1c(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)cnn1CC(C)C ZINC000160917295 546084290 /nfs/dbraw/zinc/08/42/90/546084290.db2.gz KMWLXZAMFFZLAJ-UHFFFAOYSA-N -1 0 359.455 2.418 20 70 FEIDRM CC(C)n1cc(S(=O)(=O)[N-]c2ccccc2O[C@@H]2CCOC2)cn1 ZINC000161038899 546095233 /nfs/dbraw/zinc/09/52/33/546095233.db2.gz JTYSLTJZIDJUDJ-CYBMUJFWSA-N -1 0 351.428 2.433 20 70 FEIDRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)s1 ZINC000161089168 326987433 /nfs/dbraw/zinc/98/74/33/326987433.db2.gz BANYZWFREICIJR-UHFFFAOYSA-N -1 0 374.509 2.494 20 70 FEIDRM CCc1c([N-]S(=O)(=O)c2ccc(C(=O)OC)o2)cnn1CC(C)C ZINC000160357087 546033288 /nfs/dbraw/zinc/03/32/88/546033288.db2.gz LGBXZONAUMSCBE-UHFFFAOYSA-N -1 0 355.416 2.282 20 70 FEIDRM Cc1cc(C(=O)N[C@@H]2CCCc3sccc32)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000160451094 546042544 /nfs/dbraw/zinc/04/25/44/546042544.db2.gz NPGVPWVRKAVQLZ-SNVBAGLBSA-N -1 0 356.407 2.201 20 70 FEIDRM O=C(NCC1(c2cccc(Br)c2)CCCC1)c1nc(=O)[nH][n-]1 ZINC000160901355 546083487 /nfs/dbraw/zinc/08/34/87/546083487.db2.gz HNOITJQXRRKUGD-UHFFFAOYSA-N -1 0 365.231 2.102 20 70 FEIDRM C[C@@H](O)CCN(C)C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000159914388 326946768 /nfs/dbraw/zinc/94/67/68/326946768.db2.gz BKMNCNWMACOUQG-SNVBAGLBSA-N -1 0 357.332 2.440 20 70 FEIDRM CN(CCOCc1ccccc1)C(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000161482323 327000743 /nfs/dbraw/zinc/00/07/43/327000743.db2.gz GAIQRNRACOPCOX-UHFFFAOYSA-N -1 0 362.451 2.347 20 70 FEIDRM CC[C@@H](NS(=O)(=O)c1ccc(CCNC(C)=O)s1)c1nccs1 ZINC000159921644 545991835 /nfs/dbraw/zinc/99/18/35/545991835.db2.gz UZJVIOGPKXOIAS-GFCCVEGCSA-N -1 0 373.525 2.313 20 70 FEIDRM CCCCc1cc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)n[nH]1 ZINC000159950163 545995156 /nfs/dbraw/zinc/99/51/56/545995156.db2.gz GPAPCZGIZXDXQH-UHFFFAOYSA-N -1 0 371.484 2.265 20 70 FEIDRM Cn1cc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc(Cl)c1=O ZINC000160254115 546022877 /nfs/dbraw/zinc/02/28/77/546022877.db2.gz RLNUITFNKGSOEA-UHFFFAOYSA-N -1 0 352.721 2.257 20 70 FEIDRM Cc1cccc2[nH]c(CNC(=O)c3ccccc3[N-]S(C)(=O)=O)nc21 ZINC000160527802 546048578 /nfs/dbraw/zinc/04/85/78/546048578.db2.gz OLVPNIKQEHGKST-UHFFFAOYSA-N -1 0 358.423 2.173 20 70 FEIDRM C[C@H](NS(=O)(=O)Cc1c(F)cccc1F)C(=O)NCc1ccccc1 ZINC000161140979 546104005 /nfs/dbraw/zinc/10/40/05/546104005.db2.gz HPMKBFGWOLLAHF-LBPRGKRZSA-N -1 0 368.405 2.089 20 70 FEIDRM CC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)C1 ZINC000160492428 326967635 /nfs/dbraw/zinc/96/76/35/326967635.db2.gz QFUWKSACHDJCSH-LBPRGKRZSA-N -1 0 372.512 2.109 20 70 FEIDRM O=C(NCCCO)c1cc(Br)c([O-])c(Br)c1 ZINC000161445509 326999618 /nfs/dbraw/zinc/99/96/18/326999618.db2.gz UVVDUKDHOYXGAE-UHFFFAOYSA-N -1 0 353.010 2.029 20 70 FEIDRM CCN(CCO)C(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000159817397 545982761 /nfs/dbraw/zinc/98/27/61/545982761.db2.gz DDWHKHXCDMZBAA-UHFFFAOYSA-N -1 0 367.037 2.372 20 70 FEIDRM CCCCc1cc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)n[nH]1 ZINC000159952710 545994743 /nfs/dbraw/zinc/99/47/43/545994743.db2.gz XRXRSTUYGBGRMB-UHFFFAOYSA-N -1 0 362.455 2.462 20 70 FEIDRM Cc1c2cc(C)ccc2[nH]c1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000160246482 546020990 /nfs/dbraw/zinc/02/09/90/546020990.db2.gz OEYWTZRQRAPWGI-UHFFFAOYSA-N -1 0 365.440 2.260 20 70 FEIDRM CCOC(=O)c1c[n-]n(C2CCN(C(=O)c3cccn3C(C)C)CC2)c1=N ZINC000159454134 545954872 /nfs/dbraw/zinc/95/48/72/545954872.db2.gz VEHKIJKWSKYBBA-UHFFFAOYSA-N -1 0 373.457 2.332 20 70 FEIDRM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3nnc(C(F)F)s3)cc21 ZINC000160479057 546044867 /nfs/dbraw/zinc/04/48/67/546044867.db2.gz OBYSONJVIDKVAG-UHFFFAOYSA-N -1 0 374.394 2.186 20 70 FEIDRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)n1 ZINC000160828078 546076868 /nfs/dbraw/zinc/07/68/68/546076868.db2.gz WOSRFZXNWJZLHP-FUHWJXTLSA-N -1 0 367.380 2.414 20 70 FEIDRM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccn2)c1 ZINC000159766284 326941476 /nfs/dbraw/zinc/94/14/76/326941476.db2.gz JHYYTKSNNBGNJM-UHFFFAOYSA-N -1 0 360.844 2.329 20 70 FEIDRM C[C@H](CO)CNC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000159590176 545965278 /nfs/dbraw/zinc/96/52/78/545965278.db2.gz NFXVDKFKYWNCGJ-LURJTMIESA-N -1 0 367.037 2.275 20 70 FEIDRM O=C(c1cc(Br)c([O-])c(Br)c1)N1CCOCC1 ZINC000160719931 546066249 /nfs/dbraw/zinc/06/62/49/546066249.db2.gz MVQAZVPUOWHFMF-UHFFFAOYSA-N -1 0 365.021 2.390 20 70 FEIDRM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2nc(C)c(C)s2)c1 ZINC000159521791 326934140 /nfs/dbraw/zinc/93/41/40/326934140.db2.gz XVFUPCUTAJMHNB-UHFFFAOYSA-N -1 0 360.482 2.354 20 70 FEIDRM CC[C@@H](NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2)c1nccs1 ZINC000159914306 545992062 /nfs/dbraw/zinc/99/20/62/545992062.db2.gz SJPKPZADESMFIA-CQSZACIVSA-N -1 0 365.480 2.482 20 70 FEIDRM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1nnc(C2CC2)s1 ZINC000160586002 546055036 /nfs/dbraw/zinc/05/50/36/546055036.db2.gz BFOIQLSWGLQFLF-UHFFFAOYSA-N -1 0 358.427 2.352 20 70 FEIDRM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccccc1O[C@H]1CCOC1 ZINC000161037655 546094901 /nfs/dbraw/zinc/09/49/01/546094901.db2.gz ITWOZCDOVSQQFX-NSHDSACASA-N -1 0 371.846 2.350 20 70 FEIDRM CS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000159550686 545962377 /nfs/dbraw/zinc/96/23/77/545962377.db2.gz SSHANTVQOGBOOE-CYBMUJFWSA-N -1 0 352.456 2.280 20 70 FEIDRM C[C@@H](CNC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1)c1nccs1 ZINC000159654455 545970303 /nfs/dbraw/zinc/97/03/03/545970303.db2.gz PTCNRTHLAJZAOI-VIFPVBQESA-N -1 0 363.468 2.386 20 70 FEIDRM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(C)C)[nH]n2)c1 ZINC000159829385 545984199 /nfs/dbraw/zinc/98/41/99/545984199.db2.gz JAAPLAHNVHQUEW-UHFFFAOYSA-N -1 0 357.457 2.128 20 70 FEIDRM CCCCn1ncc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)c1C ZINC000160181177 326956351 /nfs/dbraw/zinc/95/63/51/326956351.db2.gz JHZSXBYBQPUWSJ-UHFFFAOYSA-N -1 0 364.471 2.494 20 70 FEIDRM CCc1ccc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)nc2)cc1CC ZINC000160051464 546002941 /nfs/dbraw/zinc/00/29/41/546002941.db2.gz ADSINQRAXPAZAL-UHFFFAOYSA-N -1 0 368.480 2.411 20 70 FEIDRM CCn1cc(S(=O)(=O)[N-]c2nnc(Cc3ccc(C)cc3)s2)cn1 ZINC000160122058 326954036 /nfs/dbraw/zinc/95/40/36/326954036.db2.gz JRDXKCDVSIXDMT-UHFFFAOYSA-N -1 0 363.468 2.455 20 70 FEIDRM COc1cc(C(=O)N2CCN(CCc3ccccc3)CC2)cc(OC)c1O ZINC000161193225 546108064 /nfs/dbraw/zinc/10/80/64/546108064.db2.gz JEPMNQVTCPOMFK-UHFFFAOYSA-N -1 0 370.449 2.410 20 70 FEIDRM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3c(C)c(C)nn3C)cc2F)c1 ZINC000160906624 326981495 /nfs/dbraw/zinc/98/14/95/326981495.db2.gz AGUOSEMARCLVCO-UHFFFAOYSA-N -1 0 363.418 2.471 20 70 FEIDRM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2nncs2)c(F)c1Cl ZINC000160551818 546051661 /nfs/dbraw/zinc/05/16/61/546051661.db2.gz FBQVVYBAIRYTME-UHFFFAOYSA-N -1 0 368.774 2.229 20 70 FEIDRM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)[N-]c2cc(C(C)C)[nH]n2)c1 ZINC000160655399 546060343 /nfs/dbraw/zinc/06/03/43/546060343.db2.gz REGQXOCJLBTCNG-UHFFFAOYSA-N -1 0 371.484 2.354 20 70 FEIDRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1CCc2c1cccc2F ZINC000160886596 326980823 /nfs/dbraw/zinc/98/08/23/326980823.db2.gz VTNGODQUEKRYML-NSHDSACASA-N -1 0 356.400 2.035 20 70 FEIDRM CCN(CCc1nccs1)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000159374095 545947307 /nfs/dbraw/zinc/94/73/07/545947307.db2.gz DQRHISKOXHHOKM-UHFFFAOYSA-N -1 0 350.469 2.030 20 70 FEIDRM Cc1ccc(C(=O)NCCC(=O)N[C@H]2CCOC3(CCCC3)C2)c(O)c1 ZINC000159470348 545956380 /nfs/dbraw/zinc/95/63/80/545956380.db2.gz DYILBFRDHLBYQG-HNNXBMFYSA-N -1 0 360.454 2.429 20 70 FEIDRM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)n[nH]1 ZINC000159889327 545989207 /nfs/dbraw/zinc/98/92/07/545989207.db2.gz GPPHYNRULQLZOM-LLVKDONJSA-N -1 0 362.455 2.400 20 70 FEIDRM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3nnc(C(F)F)s3)ccc21 ZINC000160465669 546043463 /nfs/dbraw/zinc/04/34/63/546043463.db2.gz DNCXAJGPTNGEFG-UHFFFAOYSA-N -1 0 374.394 2.186 20 70 FEIDRM CC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)C1 ZINC000160492574 546045096 /nfs/dbraw/zinc/04/50/96/546045096.db2.gz QFUWKSACHDJCSH-GFCCVEGCSA-N -1 0 372.512 2.109 20 70 FEIDRM Cc1noc2ncc(S(=O)(=O)[N-]c3ccn(CC(F)(F)F)n3)cc12 ZINC000160256488 326959225 /nfs/dbraw/zinc/95/92/25/326959225.db2.gz XBXNMNKUTDMHAE-UHFFFAOYSA-N -1 0 361.305 2.091 20 70 FEIDRM Cc1ccc(-c2nc(NC(=O)CNC(=O)c3cccc(Cl)c3)n[nH]2)o1 ZINC000160255260 546023462 /nfs/dbraw/zinc/02/34/62/546023462.db2.gz ADCRCSKSMHYJEY-UHFFFAOYSA-N -1 0 359.773 2.395 20 70 FEIDRM CN(Cc1nc(=O)c2sccc2[n-]1)c1ncc(Br)cn1 ZINC000160565677 546052138 /nfs/dbraw/zinc/05/21/38/546052138.db2.gz HLRFWLVXMARLMW-UHFFFAOYSA-N -1 0 352.217 2.174 20 70 FEIDRM CCCc1nnc(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)s1 ZINC000160820481 546075501 /nfs/dbraw/zinc/07/55/01/546075501.db2.gz JQCPCDJOVDUYJE-UHFFFAOYSA-N -1 0 360.443 2.427 20 70 FEIDRM Cc1cccc(C)c1OC[C@H](NC(=O)c1nc(=O)[nH][n-]1)c1ccccc1 ZINC000160356216 326962505 /nfs/dbraw/zinc/96/25/05/326962505.db2.gz QIUGMQXGNKUZDD-HNNXBMFYSA-N -1 0 352.394 2.265 20 70 FEIDRM CCNS(=O)(=O)c1ccc(CNC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000160486411 326967177 /nfs/dbraw/zinc/96/71/77/326967177.db2.gz JOWSATWLBWTYOK-UHFFFAOYSA-N -1 0 368.842 2.274 20 70 FEIDRM CCCCc1cc([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)n[nH]1 ZINC000159955978 545994377 /nfs/dbraw/zinc/99/43/77/545994377.db2.gz KUMRSDGHKDSJHB-UHFFFAOYSA-N -1 0 371.484 2.098 20 70 FEIDRM CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)c1 ZINC000160237665 546020705 /nfs/dbraw/zinc/02/07/05/546020705.db2.gz GKXVIFIRNBYBIU-UHFFFAOYSA-N -1 0 351.354 2.099 20 70 FEIDRM CCOC(=O)Cc1csc([N-]S(=O)(=O)Cc2cccc(F)c2)n1 ZINC000160853079 546078228 /nfs/dbraw/zinc/07/82/28/546078228.db2.gz WJPUCMNNPXKPRQ-UHFFFAOYSA-N -1 0 358.416 2.330 20 70 FEIDRM O=C(c1cc(Br)c([O-])c(Br)c1)N1CC[C@H](O)C1 ZINC000159565669 326935557 /nfs/dbraw/zinc/93/55/57/326935557.db2.gz KQYQHUGVDMCGOT-ZETCQYMHSA-N -1 0 365.021 2.124 20 70 FEIDRM Cc1cc(C(=O)NC[C@@H](O)C(C)C)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000159755682 326940923 /nfs/dbraw/zinc/94/09/23/326940923.db2.gz VQGQUENYSKWKBT-GFCCVEGCSA-N -1 0 368.377 2.003 20 70 FEIDRM COc1ccc(C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)cc1OC ZINC000216724842 548678483 /nfs/dbraw/zinc/67/84/83/548678483.db2.gz DYXWOTOYUKQUCM-UHFFFAOYSA-N -1 0 374.359 2.235 20 70 FEIDRM COc1cccc(CC(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)c1 ZINC000216738432 548678895 /nfs/dbraw/zinc/67/88/95/548678895.db2.gz YVKHRBRUPRLNRD-UHFFFAOYSA-N -1 0 358.360 2.155 20 70 FEIDRM CN(CC(C)(C)CN1CCOCC1)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000159791633 326942092 /nfs/dbraw/zinc/94/20/92/326942092.db2.gz KQRMXYFPAKGXGB-UHFFFAOYSA-N -1 0 372.469 2.008 20 70 FEIDRM CC[C@](C)(O)C[N-]S(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F ZINC000160322316 326961449 /nfs/dbraw/zinc/96/14/49/326961449.db2.gz NGHUCXIRZDHLSY-ZDUSSCGKSA-N -1 0 370.805 2.016 20 70 FEIDRM CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1scnc1C(=O)OC ZINC000161128977 326988930 /nfs/dbraw/zinc/98/89/30/326988930.db2.gz XUHZIUGWCZPHAT-GFCCVEGCSA-N -1 0 354.453 2.229 20 70 FEIDRM CNC(=O)CCCN(C)C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000159383837 545948925 /nfs/dbraw/zinc/94/89/25/545948925.db2.gz COROOWAPGYINFR-UHFFFAOYSA-N -1 0 358.442 2.300 20 70 FEIDRM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc3[nH]cnc32)c1 ZINC000159751519 545977402 /nfs/dbraw/zinc/97/74/02/545977402.db2.gz GAUVAJFMLSHVBH-UHFFFAOYSA-N -1 0 365.436 2.157 20 70 FEIDRM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc(C(=O)OC)n(C)c2)n[nH]1 ZINC000159867761 545987699 /nfs/dbraw/zinc/98/76/99/545987699.db2.gz QRDSQCPIPDUXHU-JTQLQIEISA-N -1 0 354.432 2.239 20 70 FEIDRM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccn(CC(F)(F)F)n1 ZINC000160279357 546025920 /nfs/dbraw/zinc/02/59/20/546025920.db2.gz KMYFIOHLCYTOHH-UHFFFAOYSA-N -1 0 369.346 2.094 20 70 FEIDRM O=S(=O)([N-]c1nccc2sccc21)c1cnn([C@H]2CCOC2)c1 ZINC000160929732 546085164 /nfs/dbraw/zinc/08/51/64/546085164.db2.gz ZBQGLSFLDIDLQI-JTQLQIEISA-N -1 0 350.425 2.255 20 70 FEIDRM COc1cccc(OC)c1C(=O)N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000216725697 548679240 /nfs/dbraw/zinc/67/92/40/548679240.db2.gz DECLCDTYDMYIAK-UHFFFAOYSA-N -1 0 374.359 2.235 20 70 FEIDRM CC(C)Sc1ccccc1NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000160893657 326981057 /nfs/dbraw/zinc/98/10/57/326981057.db2.gz BYAIHHKPPQTPMZ-UHFFFAOYSA-N -1 0 356.407 2.364 20 70 FEIDRM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000161504414 327001245 /nfs/dbraw/zinc/00/12/45/327001245.db2.gz FOFAQNIWKSQHPO-CQSZACIVSA-N -1 0 366.464 2.333 20 70 FEIDRM Cn1cnc(S(=O)(=O)[N-]c2ccccc2O[C@@H]2CCOC2)c1Cl ZINC000161034174 326985594 /nfs/dbraw/zinc/98/55/94/326985594.db2.gz YXWBCPKGIUMRBA-SNVBAGLBSA-N -1 0 357.819 2.042 20 70 FEIDRM COC(=O)c1ncsc1S(=O)(=O)[N-]C1(c2ccc(F)cc2)CC1 ZINC000161183702 326991120 /nfs/dbraw/zinc/99/11/20/326991120.db2.gz SOPUPGVXAMPXEC-UHFFFAOYSA-N -1 0 356.400 2.036 20 70 FEIDRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H](C)Cc1ccc(C)cc1C ZINC000161267114 326993760 /nfs/dbraw/zinc/99/37/60/326993760.db2.gz QQQYVIDDYUHQNA-LBPRGKRZSA-N -1 0 368.480 2.456 20 70 FEIDRM COc1ccc(Br)c(S(=O)(=O)[N-]c2nncs2)c1 ZINC000160580504 546054085 /nfs/dbraw/zinc/05/40/85/546054085.db2.gz MKWGZJSZWKCWDF-UHFFFAOYSA-N -1 0 350.219 2.110 20 70 FEIDRM CC[C@H](O)CCNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000160915610 546084213 /nfs/dbraw/zinc/08/42/13/546084213.db2.gz GAGKDFFMILGVDH-JTQLQIEISA-N -1 0 357.332 2.488 20 70 FEIDRM C[C@@H](O)CCNC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000159546511 545962409 /nfs/dbraw/zinc/96/24/09/545962409.db2.gz AYLDHJMEFBRLIO-ZCFIWIBFSA-N -1 0 367.037 2.418 20 70 FEIDRM CCCCc1cc([N-]S(=O)(=O)c2ccc(S(=O)(=O)CC)cc2)n[nH]1 ZINC000159956451 545995227 /nfs/dbraw/zinc/99/52/27/545995227.db2.gz QCHLPMHRTRSBBQ-UHFFFAOYSA-N -1 0 371.484 2.347 20 70 FEIDRM O=S(=O)([N-]c1ccn(CC(F)(F)F)n1)c1cccc2c1OCCO2 ZINC000160268455 546024091 /nfs/dbraw/zinc/02/40/91/546024091.db2.gz ZMTPAVKYXFYXGN-UHFFFAOYSA-N -1 0 363.317 2.017 20 70 FEIDRM Cc1ccc(OCC(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)cc1 ZINC000216736213 548678979 /nfs/dbraw/zinc/67/89/79/548678979.db2.gz MBOUFRWLLOMBKP-UHFFFAOYSA-N -1 0 358.360 2.291 20 70 FEIDRM COC(=O)c1ncsc1S(=O)(=O)[N-]CCCc1ccc(Cl)cc1 ZINC000161052145 326986404 /nfs/dbraw/zinc/98/64/04/326986404.db2.gz FJJJSOGSZOVPPU-UHFFFAOYSA-N -1 0 374.871 2.494 20 70 FEIDRM COC(=O)c1ncsc1S(=O)(=O)[N-]CC(C)(C)c1ccccc1F ZINC000161059991 326986693 /nfs/dbraw/zinc/98/66/93/326986693.db2.gz ODNCYYHWDBVDAC-UHFFFAOYSA-N -1 0 372.443 2.325 20 70 FEIDRM Cc1cccc2nc(CNC(=O)c3ccccc3[N-]S(C)(=O)=O)n(C)c21 ZINC000159831447 545983736 /nfs/dbraw/zinc/98/37/36/545983736.db2.gz SAELNRWPEORRNY-UHFFFAOYSA-N -1 0 372.450 2.183 20 70 FEIDRM COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1c(F)cccc1F ZINC000161471649 327000425 /nfs/dbraw/zinc/00/04/25/327000425.db2.gz LNVLNMUZNQWMMP-XVKPBYJWSA-N -1 0 374.390 2.042 20 70 FEIDRM Cc1cccc(OC[C@@H](O)CNS(=O)(=O)c2ccc(Cl)s2)c1 ZINC000159918700 545991645 /nfs/dbraw/zinc/99/16/45/545991645.db2.gz RUVWUTCBYHVLCW-NSHDSACASA-N -1 0 361.872 2.428 20 70 FEIDRM COC(=O)c1ncsc1S(=O)(=O)[N-]CC(C)(C)c1ccc(F)cc1 ZINC000161157155 546105277 /nfs/dbraw/zinc/10/52/77/546105277.db2.gz KWIZFSOYODKILQ-UHFFFAOYSA-N -1 0 372.443 2.325 20 70 FEIDRM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2nnc(C(F)F)s2)cc1 ZINC000160484536 326967224 /nfs/dbraw/zinc/96/72/24/326967224.db2.gz OKLTUQPJNNXISV-UHFFFAOYSA-N -1 0 374.394 2.403 20 70 FEIDRM CC[C@@H](O)CCNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000160915706 326981971 /nfs/dbraw/zinc/98/19/71/326981971.db2.gz GAGKDFFMILGVDH-SNVBAGLBSA-N -1 0 357.332 2.488 20 70 FEIDRM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cnn(-c3ncccn3)c2)c1 ZINC000160036361 546002531 /nfs/dbraw/zinc/00/25/31/546002531.db2.gz ZFXCMZYQMAKLDK-UHFFFAOYSA-N -1 0 357.395 2.056 20 70 FEIDRM COc1ccsc1S(=O)(=O)[N-]c1cc(C)nn1-c1ccccn1 ZINC000159489537 545958772 /nfs/dbraw/zinc/95/87/72/545958772.db2.gz PRZLGRGOUWRRSH-UHFFFAOYSA-N -1 0 350.425 2.447 20 70 FEIDRM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1cc(C(C)C)[nH]n1 ZINC000160651471 546060312 /nfs/dbraw/zinc/06/03/12/546060312.db2.gz HGTUQSXAODTQNZ-UHFFFAOYSA-N -1 0 357.457 2.046 20 70 FEIDRM