smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc3c(c2)OCCO3)C1 ZINC000005131350 845084195 /nfs/dbraw/zinc/08/41/95/845084195.db2.gz FIZZUGUBQVDTCT-LFIBNONCSA-N -1 0 402.450 4.080 50 0 HIAARM Cc1c(C(=O)[O-])sc2nc3n(c(=O)c12)CC/C3=C\c1ccccc1OC(F)F ZINC000013165212 845907222 /nfs/dbraw/zinc/90/72/22/845907222.db2.gz TWIRROFQOAEYOI-DHZHZOJOSA-N -1 0 404.394 4.010 50 0 HIAARM O=C(c1cccs1)N1CCCc2ccc([N-]S(=O)(=O)c3cccs3)cc21 ZINC000005136553 132302786 /nfs/dbraw/zinc/30/27/86/132302786.db2.gz GPOFCKJNCSLWHM-UHFFFAOYSA-N -1 0 404.538 4.203 50 0 HIAARM COc1cc(OC)c([N-]S(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)cc1Cl ZINC000020580073 522814451 /nfs/dbraw/zinc/81/44/51/522814451.db2.gz OQTWFDDVSBIVEP-UHFFFAOYSA-N -1 0 422.890 4.430 50 0 HIAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@]2(CC(=O)N3)C(=O)Nc3ccccc32)cc1 ZINC000032072751 523080480 /nfs/dbraw/zinc/08/04/80/523080480.db2.gz YVHYZAPXRUNXTB-QFIPXVFZSA-N -1 0 420.446 4.352 50 0 HIAARM Cc1ccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1F ZINC000032059921 525095508 /nfs/dbraw/zinc/09/55/08/525095508.db2.gz WCQBIAQDZXBADN-UHFFFAOYSA-N -1 0 404.488 4.178 50 0 HIAARM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N3CCCCC3)ccc2Cl)c1 ZINC000000687842 557059678 /nfs/dbraw/zinc/05/96/78/557059678.db2.gz XAQDHFXCOFYUGD-UHFFFAOYSA-N -1 0 406.935 4.384 50 0 HIAARM Cc1nc2sc([C@H](c3cccc(Br)c3)N3CCCCC3)c([O-])n2n1 ZINC000022625993 557077400 /nfs/dbraw/zinc/07/74/00/557077400.db2.gz DFQJUVOCJJMKHE-AWEZNQCLSA-N -1 0 407.337 4.143 50 0 HIAARM COc1ccc(Oc2c(=O)c3ccc(OCC(=O)[O-])cc3oc2C(F)(F)F)cc1 ZINC000000945156 557122884 /nfs/dbraw/zinc/12/28/84/557122884.db2.gz DKXOCIGOSILVPD-UHFFFAOYSA-N -1 0 410.300 4.076 50 0 HIAARM CCOc1cc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc(Cl)c1O ZINC000001104090 557179666 /nfs/dbraw/zinc/17/96/66/557179666.db2.gz YCEUPVCATASZLM-YVLHZVERSA-N -1 0 417.870 4.364 50 0 HIAARM Cc1c(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)cccc1C(=O)[O-] ZINC000001132354 557199023 /nfs/dbraw/zinc/19/90/23/557199023.db2.gz XADGAVWMHMIKBJ-UHFFFAOYSA-N -1 0 420.490 4.399 50 0 HIAARM O=C([O-])[C@H](COCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002539231 557355274 /nfs/dbraw/zinc/35/52/74/557355274.db2.gz DYBDGLCDMLNEMJ-QHCPKHFHSA-N -1 0 417.461 4.195 50 0 HIAARM COc1cccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(=O)[O-])c2C)c1 ZINC000002835558 557398769 /nfs/dbraw/zinc/39/87/69/557398769.db2.gz UYKDQXWHKWANDK-UHFFFAOYSA-N -1 0 404.422 4.206 50 0 HIAARM CC(C)Oc1ccc(CCc2nnc(S[C@@H](C)C(=O)[O-])n2-c2ccccc2)cc1 ZINC000002879456 557418880 /nfs/dbraw/zinc/41/88/80/557418880.db2.gz IROUZBKYCVVNHL-INIZCTEOSA-N -1 0 411.527 4.405 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2)c1 ZINC000002905744 557425423 /nfs/dbraw/zinc/42/54/23/557425423.db2.gz OEJLYPHUUFAINX-UHFFFAOYSA-N -1 0 416.886 4.402 50 0 HIAARM Cc1ccc(S(=O)(=O)NCCC(c2ccccc2)c2ccccc2)cc1C(=O)[O-] ZINC000003436152 557486224 /nfs/dbraw/zinc/48/62/24/557486224.db2.gz XMLWZCBHDDZTKZ-UHFFFAOYSA-N -1 0 409.507 4.194 50 0 HIAARM O=C([O-])[C@H]1Cc2ccc(O)cc2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000004202611 557528660 /nfs/dbraw/zinc/52/86/60/557528660.db2.gz ZBLZSUJEVZOPJV-HSZRJFAPSA-N -1 0 415.445 4.153 50 0 HIAARM O=C([O-])CSCC(=O)Nc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 ZINC000004299351 557537339 /nfs/dbraw/zinc/53/73/39/557537339.db2.gz RDQLWHKELDNBAJ-UHFFFAOYSA-N -1 0 401.362 4.134 50 0 HIAARM O=C([O-])c1cc(-c2cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)nc2ccccc21 ZINC000004554348 557566765 /nfs/dbraw/zinc/56/67/65/557566765.db2.gz SWZGAQRIOZDMCJ-QZTJIDSGSA-N -1 0 400.434 4.280 50 0 HIAARM O=C([O-])c1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000004845447 557605710 /nfs/dbraw/zinc/60/57/10/557605710.db2.gz QJRYOUUMPCHBLK-UHFFFAOYSA-N -1 0 403.674 4.472 50 0 HIAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000004904633 557611751 /nfs/dbraw/zinc/61/17/51/557611751.db2.gz QNCMVEACMWAXDJ-STQMWFEESA-N -1 0 407.289 4.178 50 0 HIAARM COc1ccc(C)cc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1 ZINC000016291049 557702840 /nfs/dbraw/zinc/70/28/40/557702840.db2.gz KXPNDIRUTROICT-UHFFFAOYSA-N -1 0 420.494 4.491 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)Nc2ccc(C)cc2)cc1 ZINC000002765996 557759990 /nfs/dbraw/zinc/75/99/90/557759990.db2.gz YPCCBPIQDRKPES-UHFFFAOYSA-N -1 0 411.483 4.448 50 0 HIAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(-c3cn4cccc(C)c4n3)cc2)c1 ZINC000010274183 557857832 /nfs/dbraw/zinc/85/78/32/557857832.db2.gz KBCXDJXIMZOBAS-UHFFFAOYSA-N -1 0 423.494 4.128 50 0 HIAARM CCn1cc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccc(C(=O)[O-])cc4)c3n2)cn1 ZINC000020604423 558386817 /nfs/dbraw/zinc/38/68/17/558386817.db2.gz XAQCARZAQJUIJO-UHFFFAOYSA-N -1 0 415.375 4.329 50 0 HIAARM Cc1nn(CC(=O)[O-])c2nc(-c3ccc(OC(F)F)cc3)cc(C(F)(F)F)c12 ZINC000020615544 558392524 /nfs/dbraw/zinc/39/25/24/558392524.db2.gz UAIMIRPSLDPCBX-UHFFFAOYSA-N -1 0 401.291 4.112 50 0 HIAARM COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000012414864 558402216 /nfs/dbraw/zinc/40/22/16/558402216.db2.gz ZNJAZIRMXRYNTJ-UHFFFAOYSA-N -1 0 405.472 4.450 50 0 HIAARM CC(C)c1ccc(-c2nc(CC(=O)NCC3CCC(C(=O)[O-])CC3)cs2)cc1 ZINC000020729820 558406220 /nfs/dbraw/zinc/40/62/20/558406220.db2.gz GKVMZZYFGVVYOS-UHFFFAOYSA-N -1 0 400.544 4.483 50 0 HIAARM O=C([O-])CCC(=O)Nc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000014075009 558617631 /nfs/dbraw/zinc/61/76/31/558617631.db2.gz RYLPMJVZUOTPMZ-UHFFFAOYSA-N -1 0 414.259 4.105 50 0 HIAARM Cc1cccnc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000027651691 558677690 /nfs/dbraw/zinc/67/76/90/558677690.db2.gz CSCVVBJJTKCRGZ-UHFFFAOYSA-N -1 0 419.865 4.236 50 0 HIAARM O=C([O-])c1cc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)ccc1OC(F)F ZINC000072273511 558699316 /nfs/dbraw/zinc/69/93/16/558699316.db2.gz ZMHKEPWGVLTHKD-BQYQJAHWSA-N -1 0 403.790 4.052 50 0 HIAARM COc1ccc(NC(=O)CCc2c(C)nc3c(-c4ccccc4)c(C)[n-]n3c2=O)cc1 ZINC000036580019 558800127 /nfs/dbraw/zinc/80/01/27/558800127.db2.gz ZQELRFKRAOVMMI-UHFFFAOYSA-N -1 0 416.481 4.299 50 0 HIAARM CCc1ccc(-c2c(C)sc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])c2C(N)=O)cc1 ZINC000017090000 558818553 /nfs/dbraw/zinc/81/85/53/558818553.db2.gz FLXLNHIQZIKJDJ-JKSUJKDBSA-N -1 0 414.527 4.214 50 0 HIAARM CCc1c(C)sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1C(=O)NC1CCCCC1 ZINC000017091515 558820111 /nfs/dbraw/zinc/82/01/11/558820111.db2.gz GWDYEEJGOODYMP-IRXDYDNUSA-N -1 0 418.559 4.287 50 0 HIAARM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)NC2CCCC2)C1 ZINC000017092397 558820833 /nfs/dbraw/zinc/82/08/33/558820833.db2.gz BVGDLXQFBVQGQQ-CYBMUJFWSA-N -1 0 420.575 4.375 50 0 HIAARM CCCCN(C)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)c(C(=O)[O-])c1 ZINC000033007457 558828322 /nfs/dbraw/zinc/82/83/22/558828322.db2.gz LSUKJOPOMPXKNH-UHFFFAOYSA-N -1 0 404.532 4.347 50 0 HIAARM CC1CCC(NC(=O)c2ccc(Cn3c(=O)c4ccccc4[n-]c3=S)cc2)CC1 ZINC000004599434 558834677 /nfs/dbraw/zinc/83/46/77/558834677.db2.gz YJUAIVFTOJSFJD-UHFFFAOYSA-N -1 0 407.539 4.416 50 0 HIAARM Cc1c(C(=O)[N-]c2c(F)c(F)cc(F)c2F)sc2ncnc(N3CCCC3)c12 ZINC000033078843 558868146 /nfs/dbraw/zinc/86/81/46/558868146.db2.gz DOHGMUPKCOPNAR-UHFFFAOYSA-N -1 0 410.396 4.409 50 0 HIAARM O=C([O-])c1cccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c1 ZINC000004674101 558885030 /nfs/dbraw/zinc/88/50/30/558885030.db2.gz BZGOLYNMWMSFGX-UYRXBGFRSA-N -1 0 404.447 4.412 50 0 HIAARM Cc1cc(C)cc(S(=O)(=O)Nc2ccc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)c1 ZINC000033253481 558921574 /nfs/dbraw/zinc/92/15/74/558921574.db2.gz XBHNMFMBJJESNG-UHFFFAOYSA-N -1 0 424.522 4.439 50 0 HIAARM CCCc1nnc([N-]S(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)o1 ZINC000097117209 558996102 /nfs/dbraw/zinc/99/61/02/558996102.db2.gz QPOKRKANFXDOKS-UHFFFAOYSA-N -1 0 422.304 4.252 50 0 HIAARM O=C([O-])CCc1ccc(OCc2nc(-c3cccc(Br)c3)no2)cc1 ZINC000097166017 558998735 /nfs/dbraw/zinc/99/87/35/558998735.db2.gz KQOGWTYAPDDERF-UHFFFAOYSA-N -1 0 403.232 4.095 50 0 HIAARM Cc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3C[C@@H](C)O[C@H](C)C3)c([O-])n2n1 ZINC000023157198 559022185 /nfs/dbraw/zinc/02/21/85/559022185.db2.gz MDPYDADVMBZYRK-LBTNJELSSA-N -1 0 400.548 4.127 50 0 HIAARM CCCOc1ccc(N2C(=O)C[C@@H](Nc3cc(Cl)c([O-])c(Cl)c3)C2=O)cc1 ZINC000095531933 559087191 /nfs/dbraw/zinc/08/71/91/559087191.db2.gz WAYDGSBSLAUMHC-MRXNPFEDSA-N -1 0 409.269 4.232 50 0 HIAARM O=S(=O)([N-]c1cccc(Br)c1)c1ccc(Br)cc1F ZINC000096170881 559100947 /nfs/dbraw/zinc/10/09/47/559100947.db2.gz SWWQVDNSEJFEPC-UHFFFAOYSA-N -1 0 409.074 4.152 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098071679 559126420 /nfs/dbraw/zinc/12/64/20/559126420.db2.gz GFDCGHDKIQKZRD-UHFFFAOYSA-N -1 0 410.211 4.277 50 0 HIAARM COc1ccc(NC(=O)CCCC(=O)C=C([O-])c2ccc(Cl)cc2)c(OC)c1 ZINC000104274016 559159594 /nfs/dbraw/zinc/15/95/94/559159594.db2.gz IZDPWBCBVUABIM-UHFFFAOYSA-N -1 0 403.862 4.308 50 0 HIAARM O=C1C2=C(c3ccccc3)NN(c3ccccc3)[C@@H]2C(=O)N1c1ccccc1Cl ZINC000100735066 559260775 /nfs/dbraw/zinc/26/07/75/559260775.db2.gz AMUMQYGPZWXRAT-FPOVZHCZSA-N -1 0 401.853 4.123 50 0 HIAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)N1CCCc2ccccc21 ZINC000017720430 560724050 /nfs/dbraw/zinc/72/40/50/560724050.db2.gz SWQYQPSXEKBGEP-UHFFFAOYSA-N -1 0 410.470 4.220 50 0 HIAARM Cc1c(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cccc1C(=O)[O-] ZINC000001160487 560727419 /nfs/dbraw/zinc/72/74/19/560727419.db2.gz GIJCDLWVQKOOTC-UHFFFAOYSA-N -1 0 404.491 4.338 50 0 HIAARM CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000002830459 560732367 /nfs/dbraw/zinc/73/23/67/560732367.db2.gz ZXCRKVWWBSYJGB-LLVKDONJSA-N -1 0 406.891 4.342 50 0 HIAARM Cc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3/C=C/c2ccccc2)cc1C ZINC000101298475 560791182 /nfs/dbraw/zinc/79/11/82/560791182.db2.gz ULXAJQXZKDXBQM-SINXNMPMSA-N -1 0 414.465 4.401 50 0 HIAARM CCc1cccc(NC(=O)c2c([O-])c3cccnc3n(-c3ccc(F)cc3)c2=O)c1 ZINC000101723207 560799181 /nfs/dbraw/zinc/79/91/81/560799181.db2.gz JXDZMQFXXFTNJB-UHFFFAOYSA-N -1 0 403.413 4.045 50 0 HIAARM CCc1ccccc1NCc1nn2c([n-]1)nc(C)c(Cc1ccc(Cl)cc1)c2=O ZINC000101803139 560802294 /nfs/dbraw/zinc/80/22/94/560802294.db2.gz YXFJZCUFXZOSFQ-UHFFFAOYSA-N -1 0 407.905 4.145 50 0 HIAARM Cc1nn2c([n-]1)nc(=O)c1c2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1 ZINC000102591386 560817495 /nfs/dbraw/zinc/81/74/95/560817495.db2.gz NXHQGWLNWGKKNE-YLJYHZDGSA-N -1 0 423.476 4.334 50 0 HIAARM Cc1cc(C)nc(-n2nc3[nH]cc4c(c-3c2=O)C[C@@H](c2cccc(Cl)c2)CC4=O)n1 ZINC000102744342 560823769 /nfs/dbraw/zinc/82/37/69/560823769.db2.gz CLNLDTFFQOMZQZ-CQSZACIVSA-N -1 0 419.872 4.099 50 0 HIAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3Cl)cnn2[C@@H](/C=C/c2ccccc2)C1 ZINC000102820845 560829560 /nfs/dbraw/zinc/82/95/60/560829560.db2.gz OTONARYRFNGPIM-NKSUMMKUSA-N -1 0 420.856 4.437 50 0 HIAARM Cc1cc(C)cc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccc(F)cc2F)c1 ZINC000102820881 560829693 /nfs/dbraw/zinc/82/96/93/560829693.db2.gz ZHXIFYRCXUPVBR-IBGZPJMESA-N -1 0 424.407 4.014 50 0 HIAARM Cc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccccc2Cl)cc1C ZINC000102901334 560834952 /nfs/dbraw/zinc/83/49/52/560834952.db2.gz TZFZAEITCRLANA-LJQANCHMSA-N -1 0 422.872 4.389 50 0 HIAARM CCc1cc(-c2n[nH]c(CCCC(=O)[O-])c2-c2nc3ccccc3n2C)c(O)cc1O ZINC000005728138 560854619 /nfs/dbraw/zinc/85/46/19/560854619.db2.gz ZCBLKVYOGQSTRY-UHFFFAOYSA-N -1 0 420.469 4.011 50 0 HIAARM O=S(=O)([N-]c1cccc(Cl)c1)c1c[nH]c(-c2nnc(-c3ccc(F)cc3)o2)c1 ZINC000046914476 560879134 /nfs/dbraw/zinc/87/91/34/560879134.db2.gz PIXLKLPKQRHVPE-UHFFFAOYSA-N -1 0 418.837 4.325 50 0 HIAARM Cc1cc(C)cc([N-]S(=O)(=O)c2c[nH]c(-c3nnc(-c4ccc(F)cc4)o3)c2)c1 ZINC000046914552 560879275 /nfs/dbraw/zinc/87/92/75/560879275.db2.gz AKJAFFWNUODIQB-UHFFFAOYSA-N -1 0 412.446 4.288 50 0 HIAARM C[C@@H](C(=O)[O-])N(Cc1cccnc1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000380888122 568416930 /nfs/dbraw/zinc/41/69/30/568416930.db2.gz UACCFTHAMPXAIB-INIZCTEOSA-N -1 0 402.450 4.306 50 0 HIAARM O=c1oc2ccccc2c(NCc2ccccc2)c1NS(=O)(=O)c1ccccc1F ZINC000045962037 568422840 /nfs/dbraw/zinc/42/28/40/568422840.db2.gz KHXNQRSLUZOECJ-UHFFFAOYSA-N -1 0 424.453 4.345 50 0 HIAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)sc(=O)n2C(C)C ZINC000046017585 568423738 /nfs/dbraw/zinc/42/37/38/568423738.db2.gz HDMHZKSEOROWMT-UHFFFAOYSA-N -1 0 412.920 4.107 50 0 HIAARM Cc1noc(C)c1CCN(C)c1ccc(NC(=O)c2ccccc2C)cc1C(=O)[O-] ZINC000046053604 568425401 /nfs/dbraw/zinc/42/54/01/568425401.db2.gz VRTLBOCZJZLGEW-UHFFFAOYSA-N -1 0 407.470 4.229 50 0 HIAARM Cc1ccc(CNC(=O)c2c([O-])c3sccc3n(Cc3ccccc3)c2=O)cc1C ZINC000049409626 568449668 /nfs/dbraw/zinc/44/96/68/568449668.db2.gz RVBGDKBVAKJZJW-UHFFFAOYSA-N -1 0 418.518 4.364 50 0 HIAARM O=C([O-])c1ccc([C@H]2SCC(=O)Nc3c2cnn3-c2ccc(F)cc2F)cc1 ZINC000095480913 568633433 /nfs/dbraw/zinc/63/34/33/568633433.db2.gz AVVPEFZBLATNRW-QGZVFWFLSA-N -1 0 401.394 4.273 50 0 HIAARM O=C([O-])c1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccc(F)cc2)cc1 ZINC000020616645 568638372 /nfs/dbraw/zinc/63/83/72/568638372.db2.gz RWLINPMUKJFWQN-ROMGYVFFSA-N -1 0 418.380 4.460 50 0 HIAARM CCOc1cc(/C=C2/CN(CC)Cc3c2nc2ccccc2c3C(=O)[O-])ccc1O ZINC000096196510 568704089 /nfs/dbraw/zinc/70/40/89/568704089.db2.gz SKECOGFWJPIZPG-WJDWOHSUSA-N -1 0 404.466 4.413 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)/C=C\c2cccs2)c1 ZINC000096305071 568723329 /nfs/dbraw/zinc/72/33/29/568723329.db2.gz AFKYYWFKHIBNIQ-QXMHVHEDSA-N -1 0 414.508 4.209 50 0 HIAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2C)c1-c1nnc(C2CC2)o1 ZINC000096379630 568741160 /nfs/dbraw/zinc/74/11/60/568741160.db2.gz XBSPZYPVKNBKMH-UHFFFAOYSA-N -1 0 406.895 4.322 50 0 HIAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1-c1nnc(C2CCC2)o1 ZINC000096379701 568741436 /nfs/dbraw/zinc/74/14/36/568741436.db2.gz CANXIFFJAPBQCB-UHFFFAOYSA-N -1 0 400.504 4.367 50 0 HIAARM Cc1ccc(-c2cc3ncc(C(=O)c4cc(Br)ccc4[O-])cn3n2)cc1 ZINC000021729284 568751908 /nfs/dbraw/zinc/75/19/08/568751908.db2.gz OOMNOKKCDRVFNC-UHFFFAOYSA-N -1 0 408.255 4.404 50 0 HIAARM CCOc1cc2c(cc1NC(=O)Cn1c(=S)[nH]nc1-c1cccc(C)c1)O[C@@H](C)C2 ZINC000029129537 568820951 /nfs/dbraw/zinc/82/09/51/568820951.db2.gz AZNNUJJUTPCLHT-AWEZNQCLSA-N -1 0 424.526 4.277 50 0 HIAARM COCCOCc1c([O-])ccc2c(=O)c(-c3ccc(F)cc3)c(C(F)(F)F)oc21 ZINC000057312214 568826621 /nfs/dbraw/zinc/82/66/21/568826621.db2.gz RYBKOWOGAOKBIA-UHFFFAOYSA-N -1 0 412.335 4.487 50 0 HIAARM Cc1cc(Cl)ccc1OCC(=O)n1cc(C(=O)c2cc(Cl)ccc2[O-])cn1 ZINC000003324477 568854599 /nfs/dbraw/zinc/85/45/99/568854599.db2.gz XSPPHUABMMXWPJ-UHFFFAOYSA-N -1 0 405.237 4.154 50 0 HIAARM O=C(c1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl)N1CCCCC1 ZINC000012557011 568855979 /nfs/dbraw/zinc/85/59/79/568855979.db2.gz DMZBUWURHBVXIO-UHFFFAOYSA-N -1 0 413.326 4.420 50 0 HIAARM CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000058169382 568895896 /nfs/dbraw/zinc/89/58/96/568895896.db2.gz AFLKOUOMLIHOAY-UHFFFAOYSA-N -1 0 408.907 4.285 50 0 HIAARM COc1ccc(C(=O)Nc2ccccc2)cc1NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC000001490199 568930602 /nfs/dbraw/zinc/93/06/02/568930602.db2.gz AYBOIFIISQITPK-UHFFFAOYSA-N -1 0 421.478 4.455 50 0 HIAARM COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])CC2 ZINC000004090162 568941855 /nfs/dbraw/zinc/94/18/55/568941855.db2.gz VLGSWNDVRXREIF-YYDVJCTNSA-N -1 0 423.509 4.069 50 0 biogenic HIAARM COC(=O)c1c(=O)c2cc(C)ccc2[n-]c1SCC(=O)Nc1ccc(Cl)cc1 ZINC000015731506 568982046 /nfs/dbraw/zinc/98/20/46/568982046.db2.gz GQEBKKNJMQKAPO-UHFFFAOYSA-N -1 0 416.886 4.007 50 0 HIAARM CCn1cc(C(=O)c2cc(F)ccc2[O-])cc1-c1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000008217142 568983145 /nfs/dbraw/zinc/98/31/45/568983145.db2.gz WGOSZVYRLGUDEL-UHFFFAOYSA-N -1 0 411.820 4.141 50 0 HIAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1 ZINC000085664768 569006666 /nfs/dbraw/zinc/00/66/66/569006666.db2.gz MSGIVTXUFLHVHE-UHFFFAOYSA-N -1 0 417.434 4.357 50 0 HIAARM CCCc1c(O)c(C(C)=O)ccc1OCCOc1ccc(CC(=O)[O-])cc1Cl ZINC000045068668 569012997 /nfs/dbraw/zinc/01/29/97/569012997.db2.gz TZKXVSQXRKPZQK-UHFFFAOYSA-N -1 0 406.862 4.286 50 0 HIAARM O=C([O-])c1ccc(S(=O)(=O)c2ccc(OCc3ccc4ccccc4n3)cc2)cc1 ZINC000045068954 569013030 /nfs/dbraw/zinc/01/30/30/569013030.db2.gz NUDJAHABQOKELP-UHFFFAOYSA-N -1 0 419.458 4.345 50 0 HIAARM O=S(=O)([O-])CCCN1C=CC(=C/C=C2\C=Nc3ccc(Br)cc32)C=C1 ZINC000334157408 569017544 /nfs/dbraw/zinc/01/75/44/569017544.db2.gz SUBSCIOGDVHJLO-CRKCGEKBSA-N -1 0 421.316 4.096 50 0 HIAARM Cc1nnc2c(Nc3ccc(C(=O)[O-])cc3)nc3ccc(C(=O)c4ccccc4)cc3n12 ZINC000016363489 569032514 /nfs/dbraw/zinc/03/25/14/569032514.db2.gz WWDRZTMCCUAYFW-UHFFFAOYSA-N -1 0 423.432 4.259 50 0 HIAARM CCCCOc1ccc(C(=O)NCc2n[n-]c(=S)n2-c2ccccc2OC)cc1 ZINC000006203953 569032757 /nfs/dbraw/zinc/03/27/57/569032757.db2.gz HBYVBBVFWLAKOW-UHFFFAOYSA-N -1 0 412.515 4.047 50 0 HIAARM Cc1coc2c1cc1c(C)c(CCC(=O)N[C@H](CC(C)C)C(=O)[O-])c(=O)oc1c2C ZINC000006234672 569034208 /nfs/dbraw/zinc/03/42/08/569034208.db2.gz HOOLKKGFRFYWHA-GOSISDBHSA-N -1 0 413.470 4.013 50 0 HIAARM COc1ccccc1-n1c(CNC(=O)c2cc(Cl)ccc2Cl)n[n-]c1=S ZINC000006248164 569034662 /nfs/dbraw/zinc/03/46/62/569034662.db2.gz TUWPPFCQAFENII-UHFFFAOYSA-N -1 0 409.298 4.175 50 0 HIAARM CCCCN(CC)c1ncc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1C(=O)[O-] ZINC000035397494 569034939 /nfs/dbraw/zinc/03/49/39/569034939.db2.gz MMFVGQOOHHRASV-UHFFFAOYSA-N -1 0 419.547 4.330 50 0 HIAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)N2CCCCCC2)cs1 ZINC000035405480 569035889 /nfs/dbraw/zinc/03/58/89/569035889.db2.gz SLONMDNVZOAHPQ-UHFFFAOYSA-N -1 0 406.573 4.436 50 0 HIAARM O=C([O-])CCn1c(=O)c2[nH]cc(-c3ccccc3)c2nc1SCc1ccccc1 ZINC000575615271 569036195 /nfs/dbraw/zinc/03/61/95/569036195.db2.gz GRGYVBRACLKKPD-UHFFFAOYSA-N -1 0 405.479 4.159 50 0 HIAARM COc1cc2c(cc1[N-]S(=O)(=O)c1ccc3c(c1)OCCO3)oc1ccccc12 ZINC000006316545 569040271 /nfs/dbraw/zinc/04/02/71/569040271.db2.gz ZEWPIDJGVFDXJA-UHFFFAOYSA-N -1 0 411.435 4.167 50 0 HIAARM Cc1c(C(=O)[O-])sc2nc3n(c(=O)c12)CC/C3=C\c1ccc(OC(F)F)cc1 ZINC000102971463 569042308 /nfs/dbraw/zinc/04/23/08/569042308.db2.gz CPXGPWGLEBXUFH-DHZHZOJOSA-N -1 0 404.394 4.010 50 0 HIAARM CCc1nc(-c2cc(S(=O)(=O)[N-]c3cccc4c3CCCC4)c(C)s2)no1 ZINC000035539353 569043705 /nfs/dbraw/zinc/04/37/05/569043705.db2.gz VOOHNXNECQWJNW-UHFFFAOYSA-N -1 0 403.529 4.349 50 0 HIAARM O=C([O-])c1cc(N2CCN(c3ccccc3)CC2)ccc1NC(=O)c1ccc(F)cc1 ZINC000064589437 569068956 /nfs/dbraw/zinc/06/89/56/569068956.db2.gz FHRASTSAIMVGMO-UHFFFAOYSA-N -1 0 419.456 4.103 50 0 HIAARM O=C([O-])CSc1nnc(COc2cccc3ccccc32)n1Cc1ccccc1 ZINC000004828323 569071542 /nfs/dbraw/zinc/07/15/42/569071542.db2.gz RNPQYMDQBHMKMS-UHFFFAOYSA-N -1 0 405.479 4.235 50 0 HIAARM C[C@@H]1CCc2c(sc3ncnc(SCc4nc(=O)c5sccc5[n-]4)c23)C1 ZINC000006653228 569082514 /nfs/dbraw/zinc/08/25/14/569082514.db2.gz XFNNTOHNPMNDJA-SECBINFHSA-N -1 0 400.554 4.406 50 0 HIAARM Cc1ccc(CNC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccccc2)c3=O)cc1 ZINC000006653413 569082629 /nfs/dbraw/zinc/08/26/29/569082629.db2.gz LLRNPKSLMJAOHK-UHFFFAOYSA-N -1 0 415.518 4.346 50 0 HIAARM CC(C)c1ccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2Cl)cc1 ZINC000064837165 569104991 /nfs/dbraw/zinc/10/49/91/569104991.db2.gz IWKLKUKJNQNNJK-UHFFFAOYSA-N -1 0 403.891 4.015 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2onc(C)c2C)c(OC)c1 ZINC000064845672 569108116 /nfs/dbraw/zinc/10/81/16/569108116.db2.gz LXMAQOJDPCFXIG-UHFFFAOYSA-N -1 0 422.528 4.455 50 0 HIAARM COc1cc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2onc(C)c2C)cc(OC)c1 ZINC000064845719 569108239 /nfs/dbraw/zinc/10/82/39/569108239.db2.gz ZACFMZNBKPFDGY-UHFFFAOYSA-N -1 0 422.528 4.455 50 0 HIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2nc(C)cs2)n(C)c1C ZINC000065009039 569153319 /nfs/dbraw/zinc/15/33/19/569153319.db2.gz YHJNZRHRODCTAH-UHFFFAOYSA-N -1 0 411.936 4.228 50 0 HIAARM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000006888319 569171563 /nfs/dbraw/zinc/17/15/63/569171563.db2.gz YVKLBUNWQJJRIF-UHFFFAOYSA-N -1 0 401.315 4.276 50 0 HIAARM COc1cccc(NC(=O)c2c([O-])c3sccc3n(Cc3ccccc3)c2=O)c1 ZINC000065215651 569197567 /nfs/dbraw/zinc/19/75/67/569197567.db2.gz VBUCPRHAQZSABG-UHFFFAOYSA-N -1 0 406.463 4.078 50 0 HIAARM COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000007051233 569213463 /nfs/dbraw/zinc/21/34/63/569213463.db2.gz FNEULBFNCHWHAJ-UHFFFAOYSA-N -1 0 417.314 4.378 50 0 HIAARM CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000007054177 569214311 /nfs/dbraw/zinc/21/43/11/569214311.db2.gz OFTHMVCZXINFJP-LBPRGKRZSA-N -1 0 400.422 4.035 50 0 HIAARM CC(=O)Nc1cccnc1[N-]S(=O)(=O)c1ccc2c(Cl)ccc(Cl)c2c1 ZINC000170594581 569241351 /nfs/dbraw/zinc/24/13/51/569241351.db2.gz AOHZRFBFBVZJGP-UHFFFAOYSA-N -1 0 410.282 4.301 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)s1 ZINC000017121712 569274939 /nfs/dbraw/zinc/27/49/39/569274939.db2.gz MLDBUZGTFZHVNW-UHFFFAOYSA-N -1 0 412.536 4.450 50 0 HIAARM O=C([O-])[C@@H](CC(=O)c1cccs1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000226814600 569279690 /nfs/dbraw/zinc/27/96/90/569279690.db2.gz UVCJLZJWPCZPOM-LJQANCHMSA-N -1 0 421.474 4.313 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)CCc2ccccc2)c1 ZINC000007814367 569312546 /nfs/dbraw/zinc/31/25/46/569312546.db2.gz XIMJIXPOXRZDGO-UHFFFAOYSA-N -1 0 410.495 4.067 50 0 HIAARM O=C(NC1CCCC1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(Cl)cc1)c2=O ZINC000002973414 569322656 /nfs/dbraw/zinc/32/26/56/569322656.db2.gz DCTDGTDGFGQSES-UHFFFAOYSA-N -1 0 413.930 4.433 50 0 HIAARM O=c1cc([O-])c2sc3nc(-c4ccc5c(c4)OCCO5)cc(C(F)(F)F)c3c2[nH]1 ZINC000018045728 569383167 /nfs/dbraw/zinc/38/31/67/569383167.db2.gz OQWILSGBGYEYES-UHFFFAOYSA-N -1 0 420.368 4.300 50 0 HIAARM O=S(=O)([N-]c1nc2ccccc2nc1NCc1ccc(F)cc1)c1ccccc1 ZINC000002402315 569395651 /nfs/dbraw/zinc/39/56/51/569395651.db2.gz MCXZJYPAPTUYDB-UHFFFAOYSA-N -1 0 408.458 4.182 50 0 HIAARM CC[C@@H](C)NC(=O)Nc1cc2sc([N-]S(=O)(=O)c3ccccc3)nc2c(C)c1 ZINC000013349506 569411036 /nfs/dbraw/zinc/41/10/36/569411036.db2.gz COBBCGOXIZWGPB-CYBMUJFWSA-N -1 0 418.544 4.326 50 0 HIAARM CCO/C(=C\[C@@H]1Oc2ccc(-c3ccccc3)cc2N1CCCS(=O)(=O)[O-])CC ZINC000004774830 571045198 /nfs/dbraw/zinc/04/51/98/571045198.db2.gz ZVGIJVKRPRXMAE-MHZRJXOASA-N -1 0 417.527 4.487 50 0 HIAARM CCOC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(OCC)cc1 ZINC000009002292 571209852 /nfs/dbraw/zinc/20/98/52/571209852.db2.gz OXECUYXJQJYKKN-UHFFFAOYSA-N -1 0 405.497 4.278 50 0 HIAARM CCOc1ccc([N-]S(=O)(=O)c2c(C(=O)OC)sc3cccc(F)c32)cc1 ZINC000009002302 571209859 /nfs/dbraw/zinc/20/98/59/571209859.db2.gz MFQUENRXDBUNQJ-UHFFFAOYSA-N -1 0 409.460 4.027 50 0 HIAARM Cc1ccc(CN2C(=O)N/C(=C\c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C2=O)cc1 ZINC000009329944 571248596 /nfs/dbraw/zinc/24/85/96/571248596.db2.gz ZOIYLYPNPOHAOV-NDENLUEZSA-N -1 0 416.433 4.355 50 0 HIAARM O=C([O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1(C(F)(F)F)CC1 ZINC000723270547 571317554 /nfs/dbraw/zinc/31/75/54/571317554.db2.gz VNLPVSVGNCEUOA-KRWDZBQOSA-N -1 0 405.372 4.321 50 0 HIAARM COc1ccc([C@@H](CC(=O)Nc2ccc(Cl)cc2)[N-]C(=O)C(F)(F)F)cc1 ZINC000002468793 845006638 /nfs/dbraw/zinc/00/66/38/845006638.db2.gz AXEOIERBDRYNDA-OAHLLOKOSA-N -1 0 400.784 4.097 50 0 HIAARM CC(C)CCOc1ccc(/C=C2\CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc1 ZINC000006598085 845212132 /nfs/dbraw/zinc/21/21/32/845212132.db2.gz QTOBZGFDXQCHKC-GHRIWEEISA-N -1 0 404.466 4.464 50 0 HIAARM Cc1cc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)c(C)n1-c1ccc(C)cc1 ZINC000083310006 852543944 /nfs/dbraw/zinc/54/39/44/852543944.db2.gz JJAWPYGVYZYYBT-GZTJUZNOSA-N -1 0 400.525 4.078 50 0 HIAARM CCCCOc1cc(/C=C2/CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)ccc1OC ZINC000096792824 852556094 /nfs/dbraw/zinc/55/60/94/852556094.db2.gz BECJJMVKHCCWBF-VBKFSLOCSA-N -1 0 420.465 4.227 50 0 HIAARM Cc1ccccc1N1CCN(c2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])cc2)CC1 ZINC000000627156 132229311 /nfs/dbraw/zinc/22/93/11/132229311.db2.gz PFFYSLOMCJTWPH-VXKWHMMOSA-N -1 0 421.541 4.151 50 0 HIAARM C[C@@H]1CCCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000005030090 132298975 /nfs/dbraw/zinc/29/89/75/132298975.db2.gz VFCQVHRRHUJLQE-CQSZACIVSA-N -1 0 416.934 4.320 50 0 HIAARM CC(C)C[C@H](NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1)C(=O)[O-] ZINC000032103574 519386764 /nfs/dbraw/zinc/38/67/64/519386764.db2.gz OYJLLTWSKBCSLR-ZDUSSCGKSA-N -1 0 401.315 4.275 50 0 HIAARM CC(C)[C@@H](NC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1)c1ccc(Cl)cc1 ZINC000032795306 519797341 /nfs/dbraw/zinc/79/73/41/519797341.db2.gz GXZNRURJNLDHMZ-MRXNPFEDSA-N -1 0 404.923 4.177 50 0 HIAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000032889587 521690348 /nfs/dbraw/zinc/69/03/48/521690348.db2.gz MQMULAOLYUOHFC-JTQLQIEISA-N -1 0 417.314 4.375 50 0 HIAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(COc3ccccc3)cc2)c1 ZINC000032721316 521690499 /nfs/dbraw/zinc/69/04/99/521690499.db2.gz TVPRAXOWXRPBBX-UHFFFAOYSA-N -1 0 411.479 4.017 50 0 HIAARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@@H](c2ccc(OC)cc2OC)CC(=O)N3)cc1 ZINC000040308916 523325859 /nfs/dbraw/zinc/32/58/59/523325859.db2.gz BSQGYTODXXZNJD-QGZVFWFLSA-N -1 0 422.437 4.325 50 0 HIAARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@H](c2ccc(OC)c(OC)c2)CC(=O)N3)cc1 ZINC000040312519 523326345 /nfs/dbraw/zinc/32/63/45/523326345.db2.gz DTZXPIVKJPYNML-INIZCTEOSA-N -1 0 422.437 4.325 50 0 HIAARM Cc1cc(C)nc([N-]c2nc(C(=O)NCc3ccc(OC(F)(F)F)cc3)cs2)n1 ZINC000056907644 524595438 /nfs/dbraw/zinc/59/54/38/524595438.db2.gz UUZTVCJMFZDBQO-UHFFFAOYSA-N -1 0 423.420 4.122 50 0 HIAARM Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)[n-]c2=O)cc1 ZINC000032778598 525854787 /nfs/dbraw/zinc/85/47/87/525854787.db2.gz XMANJPJNHDOAGM-UHFFFAOYSA-N -1 0 400.891 4.245 50 0 HIAARM O=C([O-])[C@@H](Cc1c(F)cccc1F)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000044830574 527647126 /nfs/dbraw/zinc/64/71/26/527647126.db2.gz WNKYWXMLHBTJJW-JOCHJYFZSA-N -1 0 423.415 4.499 50 0 HIAARM Cc1cc([N-]S(=O)(=O)c2ccc(Nc3nc(-c4ccncc4)cs3)cc2)no1 ZINC000000755406 557076943 /nfs/dbraw/zinc/07/69/43/557076943.db2.gz KUVBRTVRHHMKIE-UHFFFAOYSA-N -1 0 413.484 4.046 50 0 HIAARM Cc1nc2sc([C@H](c3cccc(Br)c3)N3CCC(C)CC3)c([O-])n2n1 ZINC000022626131 557080485 /nfs/dbraw/zinc/08/04/85/557080485.db2.gz RQDPGPDJMZMNPT-HNNXBMFYSA-N -1 0 421.364 4.389 50 0 HIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3Cl)cc2)no1 ZINC000000949254 557123781 /nfs/dbraw/zinc/12/37/81/557123781.db2.gz OCWVRPNPVMJSDY-IZZDOVSWSA-N -1 0 417.874 4.089 50 0 HIAARM O=C(NC1CCCCC1)c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1 ZINC000001108476 557181345 /nfs/dbraw/zinc/18/13/45/557181345.db2.gz IOZQOYJUDNAQCI-UHFFFAOYSA-N -1 0 409.511 4.098 50 0 HIAARM O=C([O-])c1ccc(NC(=O)c2ccccc2NC(=O)CSc2ccccc2)cc1 ZINC000001115945 557187120 /nfs/dbraw/zinc/18/71/20/557187120.db2.gz ICVSSMCLPNJSTP-UHFFFAOYSA-N -1 0 406.463 4.368 50 0 HIAARM Cc1cccc(OCC(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2)c1C ZINC000001136933 557201629 /nfs/dbraw/zinc/20/16/29/557201629.db2.gz SLWDACXCXXSNRZ-UHFFFAOYSA-N -1 0 418.449 4.271 50 0 HIAARM Cc1nc2sc3c(c2c(N[C@H](Cc2c[nH]c4ccccc24)C(=O)[O-])n1)CCCC3 ZINC000001138949 557202614 /nfs/dbraw/zinc/20/26/14/557202614.db2.gz GHPGQQCSHRWMSS-QGZVFWFLSA-N -1 0 406.511 4.468 50 0 HIAARM O=C([O-])COc1ccc(NC(=O)CSCc2ccc(Cl)cc2Cl)cc1 ZINC000001144424 557206679 /nfs/dbraw/zinc/20/66/79/557206679.db2.gz YONKOIQFPZPTTO-UHFFFAOYSA-N -1 0 400.283 4.329 50 0 HIAARM CC(C)Oc1ccc(CCc2nnc(S[C@H](C)C(=O)[O-])n2-c2ccccc2)cc1 ZINC000002879457 557418849 /nfs/dbraw/zinc/41/88/49/557418849.db2.gz IROUZBKYCVVNHL-MRXNPFEDSA-N -1 0 411.527 4.405 50 0 HIAARM CC[C@@H](C)Oc1cccc(-c2nnc(CCC(=O)N(C)Cc3ccccc3)c(=O)[n-]2)c1 ZINC000034765090 557461907 /nfs/dbraw/zinc/46/19/07/557461907.db2.gz WQXVGQPYGBWARP-QGZVFWFLSA-N -1 0 420.513 4.013 50 0 HIAARM CC(C)COc1cccc(-c2nnc(CCC(=O)N[C@H](C)c3ccccc3)c(=O)[n-]2)c1 ZINC000034765552 557462099 /nfs/dbraw/zinc/46/20/99/557462099.db2.gz QMXLPSKREMGCLP-QGZVFWFLSA-N -1 0 420.513 4.089 50 0 HIAARM CC[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccccc1 ZINC000003991746 557504232 /nfs/dbraw/zinc/50/42/32/557504232.db2.gz KPAXKGPTBFIOJF-KRWDZBQOSA-N -1 0 401.513 4.076 50 0 HIAARM Cc1c2ccc(OCc3cc4c(cc3Cl)OCO4)cc2oc(=O)c1CCC(=O)[O-] ZINC000004046243 557507673 /nfs/dbraw/zinc/50/76/73/557507673.db2.gz MXOBUTKMQUDIOI-UHFFFAOYSA-N -1 0 416.813 4.080 50 0 biogenic HIAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000004611841 557572195 /nfs/dbraw/zinc/57/21/95/557572195.db2.gz SYWWUPQNVCJRLZ-CHWSQXEVSA-N -1 0 409.305 4.402 50 0 HIAARM CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1-c1ccc(Cl)cc1 ZINC000004664555 557578265 /nfs/dbraw/zinc/57/82/65/557578265.db2.gz SUJLNAVPBTWFTG-UHFFFAOYSA-N -1 0 416.890 4.047 50 0 HIAARM O=C([O-])c1ccccc1NC(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000004819358 557601929 /nfs/dbraw/zinc/60/19/29/557601929.db2.gz KRKLQBGMRVTYHR-UHFFFAOYSA-N -1 0 408.841 4.472 50 0 HIAARM Cc1cccc(C)c1OCC(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000004825910 557603539 /nfs/dbraw/zinc/60/35/39/557603539.db2.gz IEINJZUAARWJGG-UHFFFAOYSA-N -1 0 418.449 4.271 50 0 HIAARM COc1cc(CNn2c(C)n[nH]c2=S)cc(Cl)c1OCc1ccc(F)cc1 ZINC000005447779 557654623 /nfs/dbraw/zinc/65/46/23/557654623.db2.gz DESWCCPGDMZKMJ-UHFFFAOYSA-N -1 0 408.886 4.373 50 0 HIAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CCC3CCCCC3)cc2)n1 ZINC000005925245 557681030 /nfs/dbraw/zinc/68/10/30/557681030.db2.gz IHJPECISZQCXLA-UHFFFAOYSA-N -1 0 416.547 4.193 50 0 HIAARM CC(=C\c1ccccc1)/C=C1/SC(=O)N(CC(=O)Nc2ccc(C(=O)[O-])cc2)C1=O ZINC000006162590 557692477 /nfs/dbraw/zinc/69/24/77/557692477.db2.gz SUUGERBLNXNNEI-JOEZZVDMSA-N -1 0 422.462 4.006 50 0 HIAARM Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000002761378 557755374 /nfs/dbraw/zinc/75/53/74/557755374.db2.gz VXODYQDSLYFXKR-ZIAGYGMSSA-N -1 0 422.312 4.461 50 0 HIAARM Cc1nn(Cc2cccc3ccccc32)c(C)c1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000002764803 557756580 /nfs/dbraw/zinc/75/65/80/557756580.db2.gz GFPUPPMPKXZCLD-LEWJYISDSA-N -1 0 403.482 4.307 50 0 HIAARM CCOc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2)cc1 ZINC000008190311 557774909 /nfs/dbraw/zinc/77/49/09/557774909.db2.gz YWPKQFNMFLJEKF-UHFFFAOYSA-N -1 0 404.422 4.288 50 0 HIAARM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C)C2)ccc1Cl ZINC000010112556 557855362 /nfs/dbraw/zinc/85/53/62/557855362.db2.gz CEHFZELXJVGJIG-CQSZACIVSA-N -1 0 406.935 4.321 50 0 HIAARM O=C([O-])c1ccc(-c2ccc(/C=c3/sc4nc5ccccc5n4c3=O)o2)cc1Cl ZINC000013513821 558536108 /nfs/dbraw/zinc/53/61/08/558536108.db2.gz BLROOPWXPSGUBH-VCHYOVAHSA-N -1 0 422.849 4.069 50 0 HIAARM CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)NC(=O)N1CCCCCC(=O)[O-] ZINC000014246089 558646983 /nfs/dbraw/zinc/64/69/83/558646983.db2.gz FQYNDQQGLZJZIX-JOCHJYFZSA-N -1 0 421.497 4.311 50 0 HIAARM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)o1 ZINC000015013215 558700918 /nfs/dbraw/zinc/70/09/18/558700918.db2.gz WVQTWOONUJFXFP-XDHOZWIPSA-N -1 0 402.406 4.046 50 0 HIAARM O=C1[N-]C(=O)/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)N1 ZINC000015012703 558700934 /nfs/dbraw/zinc/70/09/34/558700934.db2.gz ZFXUWLSIYGDYLZ-WQRHYEAKSA-N -1 0 423.266 4.362 50 0 HIAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2sc3cc(F)ccc3c2Cl)c1 ZINC000028813437 558705064 /nfs/dbraw/zinc/70/50/64/558705064.db2.gz NGZCYQJKPQVAQC-UHFFFAOYSA-N -1 0 413.879 4.445 50 0 HIAARM CC[C@H](C)[C@H](NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1)C(=O)[O-] ZINC000030819500 558738868 /nfs/dbraw/zinc/73/88/68/558738868.db2.gz XGASKITWIRTBEA-VFZGTOFNSA-N -1 0 401.315 4.275 50 0 HIAARM COc1ccccc1[C@@]1(CCNC(=O)c2ccccc2C(=O)[O-])CCOC(C)(C)C1 ZINC000000892468 558774871 /nfs/dbraw/zinc/77/48/71/558774871.db2.gz PLMHMWSDJVTTPM-DEOSSOPVSA-N -1 0 411.498 4.040 50 0 biogenic HIAARM Cc1cccc(NC(=O)c2cc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])ccc2Cl)n1 ZINC000001069879 558774981 /nfs/dbraw/zinc/77/49/81/558774981.db2.gz JAMLLYYTRZICGW-CABCVRRESA-N -1 0 415.877 4.125 50 0 HIAARM Cc1cccc(NC(=O)c2cc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])ccc2Cl)n1 ZINC000001069873 558775075 /nfs/dbraw/zinc/77/50/75/558775075.db2.gz JAMLLYYTRZICGW-HUUCEWRRSA-N -1 0 415.877 4.125 50 0 HIAARM O=C([O-])C1(NS(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)CCCCC1 ZINC000036293782 558798958 /nfs/dbraw/zinc/79/89/58/558798958.db2.gz ZBWZAQPUUFCPLM-UHFFFAOYSA-N -1 0 409.891 4.198 50 0 HIAARM CCCn1nc([N-]S(=O)(=O)c2ccc(OC)cc2)c2cc3cccc(C)c3nc21 ZINC000017016683 558811870 /nfs/dbraw/zinc/81/18/70/558811870.db2.gz LETNDBIHZULYJW-UHFFFAOYSA-N -1 0 410.499 4.112 50 0 HIAARM NC(=O)c1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)CCCC(=O)[O-] ZINC000017082132 558814205 /nfs/dbraw/zinc/81/42/05/558814205.db2.gz LCENCEPTOWCQEH-UHFFFAOYSA-N -1 0 401.271 4.014 50 0 HIAARM C[C@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CCCC2 ZINC000017087448 558816347 /nfs/dbraw/zinc/81/63/47/558816347.db2.gz YTOBBFUMUHJGQN-ZDUSSCGKSA-N -1 0 406.548 4.129 50 0 HIAARM O=C([O-])CCCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCC2 ZINC000017087563 558816480 /nfs/dbraw/zinc/81/64/80/558816480.db2.gz MNHDNAXMGPVZJU-UHFFFAOYSA-N -1 0 406.891 4.336 50 0 HIAARM CCc1sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c(C(=O)OC)c1-c1ccccc1 ZINC000017089575 558818326 /nfs/dbraw/zinc/81/83/26/558818326.db2.gz AZXXACRFODKSTR-LSDHHAIUSA-N -1 0 413.495 4.370 50 0 HIAARM CC(=O)c1cccc(NC(=O)c2ccsc2NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC000017089852 558818425 /nfs/dbraw/zinc/81/84/25/558818425.db2.gz KPKVUUNAYPISBG-JKSUJKDBSA-N -1 0 414.483 4.033 50 0 HIAARM CCc1ccc(-c2c(C)sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])c2C(N)=O)cc1 ZINC000017089998 558818529 /nfs/dbraw/zinc/81/85/29/558818529.db2.gz FLXLNHIQZIKJDJ-HOTGVXAUSA-N -1 0 414.527 4.214 50 0 HIAARM CCc1ccc(-c2c(C)sc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])c2C(N)=O)cc1 ZINC000017089999 558818540 /nfs/dbraw/zinc/81/85/40/558818540.db2.gz FLXLNHIQZIKJDJ-HZPDHXFCSA-N -1 0 414.527 4.214 50 0 HIAARM Cc1sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c(C(N)=O)c1-c1ccc(C)c(C)c1 ZINC000017090027 558818566 /nfs/dbraw/zinc/81/85/66/558818566.db2.gz IJNRDMVXXXBFNA-JKSUJKDBSA-N -1 0 414.527 4.269 50 0 HIAARM CCC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC(C)=C(C)C[C@@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000017091520 558820117 /nfs/dbraw/zinc/82/01/17/558820117.db2.gz NBIXLGMEHJODLK-KBMXLJTQSA-N -1 0 418.559 4.138 50 0 HIAARM Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCC[C@H](C)C3)cc2C(=O)[O-])c1 ZINC000033007237 558827815 /nfs/dbraw/zinc/82/78/15/558827815.db2.gz OMOQXCASPCRFLT-HNNXBMFYSA-N -1 0 402.516 4.039 50 0 HIAARM Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCC(C)CC3)cc2C(=O)[O-])cc1C ZINC000033007406 558827847 /nfs/dbraw/zinc/82/78/47/558827847.db2.gz DHQWOKMKVOPPRJ-UHFFFAOYSA-N -1 0 416.543 4.347 50 0 HIAARM Cc1ccc(S(=O)(=O)Nc2ccc(N3CCC[C@H](C)C3)cc2C(=O)[O-])c(C)c1 ZINC000033007267 558827859 /nfs/dbraw/zinc/82/78/59/558827859.db2.gz HOAPXOHMOPKESA-HNNXBMFYSA-N -1 0 402.516 4.039 50 0 HIAARM CCn1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)c2ccccc21 ZINC000000677835 558829959 /nfs/dbraw/zinc/82/99/59/558829959.db2.gz QKNNYDRQJFHMLH-UNOMPAQXSA-N -1 0 403.507 4.109 50 0 HIAARM CC(C)CN1C(=O)/C(=C\c2cccc(OCC(=O)[O-])c2)SC1=Nc1ccccc1 ZINC000004664327 558876056 /nfs/dbraw/zinc/87/60/56/558876056.db2.gz VNIPCYGKZHHDAD-PTOVGEMASA-N -1 0 410.495 4.410 50 0 HIAARM O=C([O-])c1ccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)cc1 ZINC000004674130 558885124 /nfs/dbraw/zinc/88/51/24/558885124.db2.gz SCUWUPILEJPVEV-UHFFFAOYSA-N -1 0 406.463 4.091 50 0 HIAARM CC(C)Oc1ccc([C@H](CC(=O)[O-])NC(=O)CSc2nc3ccccc3o2)cc1 ZINC000004689411 558899380 /nfs/dbraw/zinc/89/93/80/558899380.db2.gz MUEMWVOOZHLCLD-KRWDZBQOSA-N -1 0 414.483 4.039 50 0 HIAARM CCCCN(C)c1ccc(NS(=O)(=O)c2cccc(Cl)c2C)cc1C(=O)[O-] ZINC000033253374 558921486 /nfs/dbraw/zinc/92/14/86/558921486.db2.gz BXNPNQRFZANXFG-UHFFFAOYSA-N -1 0 410.923 4.384 50 0 HIAARM Cc1cccc(S(=O)(=O)Nc2ccc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)c1 ZINC000033253479 558921493 /nfs/dbraw/zinc/92/14/93/558921493.db2.gz ULRWPROUBBYARQ-UHFFFAOYSA-N -1 0 410.495 4.130 50 0 HIAARM CCCN(CCC)c1ccc(NS(=O)(=O)c2ccc(OCC)cc2)cc1C(=O)[O-] ZINC000033253504 558921650 /nfs/dbraw/zinc/92/16/50/558921650.db2.gz GASMACXMMBVKNM-UHFFFAOYSA-N -1 0 420.531 4.211 50 0 HIAARM CCCCN(CC)c1ccc(NS(=O)(=O)c2cc(C)cc(C)c2)cc1C(=O)[O-] ZINC000033253576 558921684 /nfs/dbraw/zinc/92/16/84/558921684.db2.gz SHQSASORGMRNCM-UHFFFAOYSA-N -1 0 404.532 4.429 50 0 HIAARM CCCN(CCC)c1ccc(NS(=O)(=O)c2cc(F)ccc2C)cc1C(=O)[O-] ZINC000033253505 558921758 /nfs/dbraw/zinc/92/17/58/558921758.db2.gz JHHALCBJDQCFPY-UHFFFAOYSA-N -1 0 408.495 4.260 50 0 HIAARM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC[C@H](C)C2)c(C)c1 ZINC000033253955 558922287 /nfs/dbraw/zinc/92/22/87/558922287.db2.gz YGWFGEOQWFJMDD-HNNXBMFYSA-N -1 0 402.516 4.039 50 0 HIAARM Cc1nc2sc([C@H](c3ccc(Br)cc3)N3CCCCC3)c([O-])n2n1 ZINC000023156997 559022048 /nfs/dbraw/zinc/02/20/48/559022048.db2.gz CROKKSNPLMWIKR-AWEZNQCLSA-N -1 0 407.337 4.143 50 0 HIAARM CC(=O)c1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000004742697 559044679 /nfs/dbraw/zinc/04/46/79/559044679.db2.gz UVKMBSYUXSLNCN-UHFFFAOYSA-N -1 0 408.479 4.251 50 0 HIAARM O=C([O-])CCn1cnc(-c2ccccc2)c1-c1sc(N2CCCC2)nc1Cl ZINC000091319745 559071112 /nfs/dbraw/zinc/07/11/12/559071112.db2.gz FZUZVNUQLXHBEF-UHFFFAOYSA-N -1 0 402.907 4.402 50 0 HIAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccco3)ccc2Cl)cc1C ZINC000006235017 559110475 /nfs/dbraw/zinc/11/04/75/559110475.db2.gz SHKDDVFKPVJOPR-UHFFFAOYSA-N -1 0 418.902 4.281 50 0 HIAARM Cc1ccc2[nH]cc(CCNc3nnc(Cc4ccc(C(C)C)cc4)c(=O)[n-]3)c2c1 ZINC000004818459 559115958 /nfs/dbraw/zinc/11/59/58/559115958.db2.gz PZFIZIHKMYNQJC-UHFFFAOYSA-N -1 0 401.514 4.323 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072961 559126588 /nfs/dbraw/zinc/12/65/88/559126588.db2.gz ZHZZDNHFNPIFBP-UHFFFAOYSA-N -1 0 410.211 4.277 50 0 HIAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(C(=O)OCCC)cc2)c1=O ZINC000100551169 559136375 /nfs/dbraw/zinc/13/63/75/559136375.db2.gz GZKCRVUTBBOLCK-UHFFFAOYSA-N -1 0 422.481 4.326 50 0 HIAARM Cc1c2c(cc(=O)n1CCc1ccccc1)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000100154992 559166041 /nfs/dbraw/zinc/16/60/41/559166041.db2.gz TZWCLNWUOCCOLN-UHFFFAOYSA-N -1 0 402.479 4.005 50 0 HIAARM CCOc1cc(-c2cc(C(=O)[O-])c3nc(-c4ccc(OC)cc4)[nH]c3n2)ccc1O ZINC000011694749 559188353 /nfs/dbraw/zinc/18/83/53/559188353.db2.gz UFXSWYMOFYQNJQ-UHFFFAOYSA-N -1 0 405.410 4.103 50 0 HIAARM CCCCOCCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1 ZINC000005017274 559228603 /nfs/dbraw/zinc/22/86/03/559228603.db2.gz CMCGHRIWASANSU-UHFFFAOYSA-N -1 0 414.531 4.049 50 0 HIAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2C(=O)OCCC)c1=O ZINC000100675018 559253913 /nfs/dbraw/zinc/25/39/13/559253913.db2.gz NOHXVMVTEHJLBM-UHFFFAOYSA-N -1 0 422.481 4.326 50 0 HIAARM O=S(=O)([N-]c1nc2ccccc2nc1NCc1ccc(F)cc1)c1cccs1 ZINC000017251772 560705086 /nfs/dbraw/zinc/70/50/86/560705086.db2.gz ODJHJXHGJOSGNT-UHFFFAOYSA-N -1 0 414.487 4.243 50 0 HIAARM Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc(COc2ccccc2)cc1 ZINC000001128790 560727225 /nfs/dbraw/zinc/72/72/25/560727225.db2.gz NRIZWODFSQNDOD-UHFFFAOYSA-N -1 0 420.490 4.399 50 0 HIAARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1CC(=O)Nc1ccc(F)cc1 ZINC000101505306 560796600 /nfs/dbraw/zinc/79/66/00/560796600.db2.gz UZUCTXYIQZEOMG-UHFFFAOYSA-N -1 0 408.458 4.330 50 0 HIAARM CCCCNC(=O)c1sc(-n2[n-]c(C)c(Cc3ccccc3Cl)c2=O)nc1C ZINC000101832548 560803026 /nfs/dbraw/zinc/80/30/26/560803026.db2.gz VRQNTFUENWKZFV-UHFFFAOYSA-N -1 0 418.950 4.425 50 0 HIAARM O=C(NCc1ccc(F)cc1)c1ccc(Cn2c(=O)c3ccccc3[n-]c2=S)cc1 ZINC000102754670 560825861 /nfs/dbraw/zinc/82/58/61/560825861.db2.gz MPTNRVJSOVIRIZ-UHFFFAOYSA-N -1 0 419.481 4.176 50 0 HIAARM CCc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000102820938 560829681 /nfs/dbraw/zinc/82/96/81/560829681.db2.gz YRVQKLHLBATQLI-LJQANCHMSA-N -1 0 422.872 4.335 50 0 HIAARM O=C([O-])C1=Nc2c(C(=O)Nc3cccc(Cl)c3)cnn2[C@@H](/C=C/c2ccccc2)C1 ZINC000102901478 560834994 /nfs/dbraw/zinc/83/49/94/560834994.db2.gz XISRCOYOXBDCHW-FVNWOWOISA-N -1 0 420.856 4.437 50 0 HIAARM Cc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccccc2)cc1Cl ZINC000102901432 560835003 /nfs/dbraw/zinc/83/50/03/560835003.db2.gz MTLQOTFLPXVVSG-SFHVURJKSA-N -1 0 408.845 4.081 50 0 HIAARM Cc1ccc([C@@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4cccc(Cl)c4)cnn32)cc1 ZINC000102901469 560835016 /nfs/dbraw/zinc/83/50/16/560835016.db2.gz AZKJXCMTYRGHRO-SFHVURJKSA-N -1 0 408.845 4.081 50 0 HIAARM Cc1noc(C)c1CCN(C)c1ccc(NC(=O)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000046053601 568425372 /nfs/dbraw/zinc/42/53/72/568425372.db2.gz DHMHDWVNCBBXRB-UHFFFAOYSA-N -1 0 407.470 4.229 50 0 HIAARM Cc1nn(-c2ccc(Br)cc2)c2c1C(=C([O-])c1cccs1)CC(=O)N2 ZINC000046057025 568426033 /nfs/dbraw/zinc/42/60/33/568426033.db2.gz WKRUHLMYGAFZQA-CYBMUJFWSA-N -1 0 416.300 4.313 50 0 HIAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1C(=O)Nc1cccc(Cl)c1 ZINC000000627532 568456120 /nfs/dbraw/zinc/45/61/20/568456120.db2.gz NHQAVYIVYSWLTR-CVEARBPZSA-N -1 0 400.862 4.422 50 0 HIAARM C[C@]1(O)CC(=O)C(=C([O-])c2ccccc2)[C@@H](c2ccccc2)[C@@H]1C(=O)c1ccccc1 ZINC000222206135 568514470 /nfs/dbraw/zinc/51/44/70/568514470.db2.gz OJSKBPPTQMCPPQ-MZLPPYGWSA-N -1 0 412.485 4.492 50 0 HIAARM O=S(=O)([N-]c1cc(C(F)(F)F)ccn1)c1cccc(Br)c1Cl ZINC000225400210 568634304 /nfs/dbraw/zinc/63/43/04/568634304.db2.gz XOPNEPKWOMLWFI-UHFFFAOYSA-N -1 0 415.618 4.317 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)Nc3nc4ccccc4s3)c2)cc1 ZINC000020846886 568644583 /nfs/dbraw/zinc/64/45/83/568644583.db2.gz WHJGDJFORFMUDA-UHFFFAOYSA-N -1 0 424.507 4.053 50 0 HIAARM COC(=O)c1c(=O)c2ccccc2[n-]c1SCC(=O)Nc1cc(Cl)ccc1C ZINC000020981935 568654398 /nfs/dbraw/zinc/65/43/98/568654398.db2.gz IGRIUQSRRUWXLX-UHFFFAOYSA-N -1 0 416.886 4.007 50 0 HIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2cnc(C)o2)ccc1OC ZINC000021033266 568659578 /nfs/dbraw/zinc/65/95/78/568659578.db2.gz HYCGEGJUNYYAHW-UHFFFAOYSA-N -1 0 408.863 4.121 50 0 HIAARM CCc1ccc([C@@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)CCCC(=O)[O-])cc1 ZINC000095945320 568663306 /nfs/dbraw/zinc/66/33/06/568663306.db2.gz BUMNBERQPJJYHE-NRFANRHFSA-N -1 0 424.497 4.199 50 0 HIAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000095969918 568671321 /nfs/dbraw/zinc/67/13/21/568671321.db2.gz LHZYLOFVJLTPND-INIZCTEOSA-N -1 0 404.447 4.208 50 0 HIAARM O=S(=O)([N-]c1nc2ccc(F)cn2n1)c1ccc(Oc2ccccc2)c(Cl)c1 ZINC000095995659 568678787 /nfs/dbraw/zinc/67/87/87/568678787.db2.gz FOKZBSGMSJQWAV-UHFFFAOYSA-N -1 0 418.837 4.115 50 0 HIAARM CCc1ccc(-n2nc(C)c3c2NC(=O)CS[C@H]3c2ccc(C(=O)[O-])cc2)cc1 ZINC000021524996 568709274 /nfs/dbraw/zinc/70/92/74/568709274.db2.gz MHRCORQBAUODHZ-FQEVSTJZSA-N -1 0 407.495 4.216 50 0 HIAARM COc1cc([N-]S(=O)(=O)c2cc(-c3onc(C)c3C)sc2C)cc(OC)c1 ZINC000096323518 568732231 /nfs/dbraw/zinc/73/22/31/568732231.db2.gz DPCHZJORBYYEEL-UHFFFAOYSA-N -1 0 408.501 4.146 50 0 HIAARM Cc1[nH]c(-c2nnc(C3CCC3)o2)c(C)c1S(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000096379534 568740948 /nfs/dbraw/zinc/74/09/48/568740948.db2.gz KHWUKEKNNANQBU-UHFFFAOYSA-N -1 0 408.430 4.028 50 0 HIAARM Cc1ccn([C@H](C)c2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)n1 ZINC000002809595 568811995 /nfs/dbraw/zinc/81/19/95/568811995.db2.gz NXJALABMYVGINA-GFCCVEGCSA-N -1 0 417.901 4.433 50 0 HIAARM O=C(Nc1ccncc1)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000025600217 568823889 /nfs/dbraw/zinc/82/38/89/568823889.db2.gz UCHSMTGWFYRFOZ-UHFFFAOYSA-N -1 0 421.400 4.154 50 0 HIAARM C[C@H]1C[C@H](C)CN(C(=O)C2CCC(Cn3c(=O)c4ccccc4[n-]c3=S)CC2)C1 ZINC000002972118 568832149 /nfs/dbraw/zinc/83/21/49/568832149.db2.gz LSWNFIYKCYVERM-VYMRPNJYSA-N -1 0 413.587 4.370 50 0 HIAARM O=S(=O)([N-]c1ccccc1OCC(F)(F)F)c1cccc(Br)c1 ZINC000012541931 568848754 /nfs/dbraw/zinc/84/87/54/568848754.db2.gz RJDSYRQPHXZXFB-UHFFFAOYSA-N -1 0 410.211 4.191 50 0 HIAARM Cc1ccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3cccs3)cc2)c(C)c1 ZINC000012544908 568850090 /nfs/dbraw/zinc/85/00/90/568850090.db2.gz XQWUZNDSBJQSFB-UHFFFAOYSA-N -1 0 400.525 4.347 50 0 HIAARM O=C(Nc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)c(C(F)(F)F)c1)C1CC1 ZINC000012604742 568870846 /nfs/dbraw/zinc/87/08/46/568870846.db2.gz RZZYCRWTCXKBOM-UHFFFAOYSA-N -1 0 420.359 4.133 50 0 HIAARM O=C1CCCN1c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000012605193 568870894 /nfs/dbraw/zinc/87/08/94/568870894.db2.gz XMRPMCJMUZGXGR-UHFFFAOYSA-N -1 0 418.824 4.286 50 0 HIAARM O=C(c1ccc(Cl)cc1)c1ccc2c(c1[O-])[C@@H](c1ccc3c(c1)OCO3)CC(=O)O2 ZINC000263586795 568879259 /nfs/dbraw/zinc/87/92/59/568879259.db2.gz YBRNHGRVYWWGQT-MRXNPFEDSA-N -1 0 422.820 4.446 50 0 HIAARM COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000263618326 568912505 /nfs/dbraw/zinc/91/25/05/568912505.db2.gz SKDZIMGUNAJYSJ-UHFFFAOYSA-N -1 0 405.472 4.450 50 0 HIAARM O=C(Oc1ccccc1)c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1 ZINC000003635579 568921580 /nfs/dbraw/zinc/92/15/80/568921580.db2.gz PSZKIBOQQGVDCL-UHFFFAOYSA-N -1 0 404.447 4.255 50 0 HIAARM COc1cc(F)c(S(=O)(=O)[N-]c2ccc(OC(C)C)c(Cl)c2)cc1OC ZINC000031669587 568929129 /nfs/dbraw/zinc/92/91/29/568929129.db2.gz GDJHTCXACRXTSZ-UHFFFAOYSA-N -1 0 403.859 4.084 50 0 HIAARM CCc1ccc([C@H](NS(=O)(=O)c2ccsc2C(=O)OC)c2cccs2)cc1 ZINC000012746555 568932619 /nfs/dbraw/zinc/93/26/19/568932619.db2.gz RNDDQFWWAQYXKX-KRWDZBQOSA-N -1 0 421.565 4.227 50 0 HIAARM O=S(=O)([N-]c1cccc(-c2nc3cccnc3s2)c1)c1cc(F)ccc1F ZINC000004036353 568935534 /nfs/dbraw/zinc/93/55/34/568935534.db2.gz HKFLACCHLWNLGM-UHFFFAOYSA-N -1 0 403.435 4.437 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)C4CCC4)cc3s2)cc1 ZINC000015729292 568979635 /nfs/dbraw/zinc/97/96/35/568979635.db2.gz ZEWLPBGFUKAMHL-UHFFFAOYSA-N -1 0 401.513 4.144 50 0 HIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)N2CCCCCC2)c1 ZINC000008181517 568980063 /nfs/dbraw/zinc/98/00/63/568980063.db2.gz FIAWULZUDSEUOC-UHFFFAOYSA-N -1 0 422.934 4.166 50 0 HIAARM COC(=O)c1c(=O)c2cc(Cl)ccc2[n-]c1SCC(=O)Nc1cccc(F)c1 ZINC000015731460 568981895 /nfs/dbraw/zinc/98/18/95/568981895.db2.gz NLGWFCRMCLZOHQ-UHFFFAOYSA-N -1 0 420.849 4.250 50 0 HIAARM CCOC(=O)c1sc2nc(-c3ccc(OC)cc3OC)cc(C(=O)[O-])c2c1C ZINC000008328884 568992975 /nfs/dbraw/zinc/99/29/75/568992975.db2.gz YPLAEZOEHZZSTF-UHFFFAOYSA-N -1 0 401.440 4.164 50 0 HIAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)Nc1ccc(C)cc1Cl)CC2 ZINC000015781959 569002839 /nfs/dbraw/zinc/00/28/39/569002839.db2.gz UUBORFIREITZAC-QGZVFWFLSA-N -1 0 418.877 4.272 50 0 HIAARM CCOc1cc2c(cc1OCC)[C@H](CC(=O)[O-])N(C(=O)Nc1ccccc1F)CC2 ZINC000015781894 569002844 /nfs/dbraw/zinc/00/28/44/569002844.db2.gz TZWITLNJRJGFTH-SFHVURJKSA-N -1 0 416.449 4.229 50 0 HIAARM Cc1cc(NC(=O)N2CCc3ccccc3[C@H]2CC(=O)[O-])ccc1Br ZINC000015782098 569002893 /nfs/dbraw/zinc/00/28/93/569002893.db2.gz MZUPKAWHXOSKTC-QGZVFWFLSA-N -1 0 403.276 4.364 50 0 HIAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1 ZINC000085664776 569006712 /nfs/dbraw/zinc/00/67/12/569006712.db2.gz CGQUSLSHSVCFFW-UHFFFAOYSA-N -1 0 417.434 4.275 50 0 HIAARM COc1ccc([C@H]2O[C@@H](C(=O)[O-])[C@H](c3ccccc3)N2C(=O)c2ccccc2)cc1 ZINC000071251008 569039338 /nfs/dbraw/zinc/03/93/38/569039338.db2.gz RDVJYGYJBUIIOE-QZNHQXDQSA-N -1 0 403.434 4.061 50 0 HIAARM O=S(=O)([N-]c1ccccc1O)c1cc(-c2nnc(-c3ccccc3)o2)ccc1F ZINC000035511722 569043130 /nfs/dbraw/zinc/04/31/30/569043130.db2.gz KKOBQWCJULDKHB-UHFFFAOYSA-N -1 0 411.414 4.049 50 0 HIAARM O=C(NC1CCCC1)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000013071653 569053895 /nfs/dbraw/zinc/05/38/95/569053895.db2.gz ZABJTQHUOVBTDO-UHFFFAOYSA-N -1 0 412.433 4.179 50 0 HIAARM COCCCn1c(=O)c2ccc(C(=O)Nc3cccc(SC)c3)cc2[n-]c1=S ZINC000016598484 569060444 /nfs/dbraw/zinc/06/04/44/569060444.db2.gz OCBXPYCZCWPRMA-UHFFFAOYSA-N -1 0 415.540 4.070 50 0 HIAARM O=C([O-])C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1Cl ZINC000007990191 569063853 /nfs/dbraw/zinc/06/38/53/569063853.db2.gz AQEISUSABGLCOU-ZDUSSCGKSA-N -1 0 408.690 4.141 50 0 HIAARM O=C1C([O-])=C(S(=O)(=O)c2ccccc2)[C@H](c2ccc(F)cc2)N1c1ccccc1 ZINC000064557858 569066848 /nfs/dbraw/zinc/06/68/48/569066848.db2.gz RPEJKAXSMGRWGV-IBGZPJMESA-N -1 0 409.438 4.157 50 0 HIAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000006590685 569068651 /nfs/dbraw/zinc/06/86/51/569068651.db2.gz ZYTCVUZNYBUDHD-UHFFFAOYSA-N -1 0 403.426 4.101 50 0 HIAARM O=C([O-])c1cc(N2CCN(c3ccccc3)CC2)ccc1NC(=O)c1ccccc1F ZINC000064589495 569069053 /nfs/dbraw/zinc/06/90/53/569069053.db2.gz IJBLYRCXJZZQGA-UHFFFAOYSA-N -1 0 419.456 4.103 50 0 HIAARM O=c1cc([O-])c2sc3nc(-c4ccc5c(c4)OCO5)cc(C(F)(F)F)c3c2[nH]1 ZINC000004945463 569071630 /nfs/dbraw/zinc/07/16/30/569071630.db2.gz YDWWFKOWNDTTEL-UHFFFAOYSA-N -1 0 406.341 4.258 50 0 HIAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000036359746 569151608 /nfs/dbraw/zinc/15/16/08/569151608.db2.gz VTOMFCGUGZMQQS-NRFANRHFSA-N -1 0 424.865 4.347 50 0 HIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2nnc(C3CCCC3)o2)o1 ZINC000065246466 569205529 /nfs/dbraw/zinc/20/55/29/569205529.db2.gz SQMMCEWCXXWIOU-UHFFFAOYSA-N -1 0 423.878 4.450 50 0 HIAARM CC[C@@H](CC(F)(F)F)NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000170595330 569241420 /nfs/dbraw/zinc/24/14/20/569241420.db2.gz SUFGMAYGOYFUKW-LBPRGKRZSA-N -1 0 406.451 4.010 50 0 HIAARM O=S(=O)([N-]c1ccccc1-c1nc(-c2cccs2)no1)c1ccc(F)cc1 ZINC000170623676 569249925 /nfs/dbraw/zinc/24/99/25/569249925.db2.gz XFQGNSCVSFOYPL-UHFFFAOYSA-N -1 0 401.444 4.405 50 0 HIAARM CCc1cccc(C)c1NC(=O)CSc1ccc(NC(=O)/C=C(/C)C(=O)[O-])cc1 ZINC000013579233 569256430 /nfs/dbraw/zinc/25/64/30/569256430.db2.gz RSUQGGFPQJTJQQ-QINSGFPZSA-N -1 0 412.511 4.258 50 0 HIAARM Cn1ccnc1-c1cc([N-]S(=O)(=O)c2ccc3c(Cl)ccc(Cl)c3c2)n[nH]1 ZINC000170683617 569298616 /nfs/dbraw/zinc/29/86/16/569298616.db2.gz NXZVUEHQHXDEDO-UHFFFAOYSA-N -1 0 422.297 4.071 50 0 HIAARM COc1ccc([C@H](CC(=O)Nc2ccc(Cl)cc2)c2c([O-])cc(C)oc2=O)cc1 ZINC000253471108 569381132 /nfs/dbraw/zinc/38/11/32/569381132.db2.gz LSLZFKKCTGLUNW-SFHVURJKSA-N -1 0 413.857 4.477 50 0 HIAARM COc1ccc([C@@H](CC(=O)Nc2ccc(Cl)cc2F)[N-]C(=O)C(F)(F)F)cc1 ZINC000008857206 569390578 /nfs/dbraw/zinc/39/05/78/569390578.db2.gz QYMOKYHQLCWWKB-OAHLLOKOSA-N -1 0 418.774 4.236 50 0 aggregator HIAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(-c3csc(C)n3)ccc2C)c1 ZINC000013358002 569411480 /nfs/dbraw/zinc/41/14/80/569411480.db2.gz SBJRBXRMNHOHDO-UHFFFAOYSA-N -1 0 404.513 4.245 50 0 HIAARM O=C([O-])/C=C/C(=O)Nc1ccc(-c2cn3cc(C(F)(F)F)cc(Cl)c3n2)cc1 ZINC000263639956 571043563 /nfs/dbraw/zinc/04/35/63/571043563.db2.gz PSOJZBKWJDDEDI-AATRIKPKSA-N -1 0 409.751 4.253 50 0 HIAARM CCOc1ccc(-c2cccc([N-]S(=O)(=O)c3ccccc3C(F)(F)F)c2)nn1 ZINC000008610150 571094045 /nfs/dbraw/zinc/09/40/45/571094045.db2.gz KNRRZCHWEYNZJS-UHFFFAOYSA-N -1 0 423.416 4.362 50 0 HIAARM COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000008825237 571122023 /nfs/dbraw/zinc/12/20/23/571122023.db2.gz KQHVYQPDAWUQAS-QWHCGFSZSA-N -1 0 419.886 4.461 50 0 HIAARM CCCCN1c2ccc([N-]S(=O)(=O)c3cc(C)ccc3OCC)cc2CCC1=O ZINC000008840770 571123633 /nfs/dbraw/zinc/12/36/33/571123633.db2.gz GRDHUKAFSWGGKB-UHFFFAOYSA-N -1 0 416.543 4.274 50 0 HIAARM CC(C)CCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(F)cc3F)ccc21 ZINC000008840946 571124210 /nfs/dbraw/zinc/12/42/10/571124210.db2.gz CPGOGFWDPZJFBE-UHFFFAOYSA-N -1 0 408.470 4.091 50 0 HIAARM CCN1c2ccccc2Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O ZINC000008961099 571189353 /nfs/dbraw/zinc/18/93/53/571189353.db2.gz JSONNTAOTNPXDY-UHFFFAOYSA-N -1 0 400.481 4.321 50 0 HIAARM CCCCC(=O)N[C@]([N-]c1nc2ccc(C)cc2s1)(C(=O)OCC)C(F)(F)F ZINC000009111620 571223259 /nfs/dbraw/zinc/22/32/59/571223259.db2.gz YEQKDWXGBDBACU-KRWDZBQOSA-N -1 0 417.453 4.145 50 0 HIAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cccc(C)c2)cc1 ZINC000009203584 571236388 /nfs/dbraw/zinc/23/63/88/571236388.db2.gz QQEUQTABLMZDBH-UHFFFAOYSA-N -1 0 423.494 4.007 50 0 HIAARM Cn1ccnc1Sc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000009218906 571237899 /nfs/dbraw/zinc/23/78/99/571237899.db2.gz WYIQZAFZYDJNJB-UHFFFAOYSA-N -1 0 413.446 4.391 50 0 HIAARM CCOC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1ccccc1OCC ZINC000009646535 571276601 /nfs/dbraw/zinc/27/66/01/571276601.db2.gz XWCIDPCKDGUNGG-UHFFFAOYSA-N -1 0 423.487 4.417 50 0 HIAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2C)c1C(=O)N1CCCCC1 ZINC000009684377 571279395 /nfs/dbraw/zinc/27/93/95/571279395.db2.gz XGFUABBIDQEQIU-UHFFFAOYSA-N -1 0 409.939 4.020 50 0 HIAARM [O-]c1c([C@@H](c2ccco2)N2CCc3ccccc3C2)sc2nc(-c3ccco3)nn12 ZINC000009808614 571285888 /nfs/dbraw/zinc/28/58/88/571285888.db2.gz AJIVOKUDGVEEFL-GOSISDBHSA-N -1 0 418.478 4.497 50 0 HIAARM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)c2ccccc2O3)s1 ZINC000009827889 571286621 /nfs/dbraw/zinc/28/66/21/571286621.db2.gz UBEPWIDJNZUYEB-UHFFFAOYSA-N -1 0 414.508 4.494 50 0 HIAARM CC(=O)Oc1ccc([C@@H]2Nc3c(C(=O)[O-])cccc3[C@@H]3C=CC[C@H]32)c(OC(C)=O)c1 ZINC000027570273 571304349 /nfs/dbraw/zinc/30/43/49/571304349.db2.gz VSQAFEYWXIWCNY-WHSLLNHNSA-N -1 0 407.422 4.062 50 0 HIAARM O=C([O-])[C@H]1CS[C@@H](c2ccc(COc3ccc(Br)cc3Cl)o2)N1 ZINC000020606332 846384545 /nfs/dbraw/zinc/38/45/45/846384545.db2.gz XMFFZWRLXCIXGS-RISCZKNCSA-N -1 0 418.696 4.063 50 0 HIAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc(NC(C)=O)cc2)C1 ZINC000033503803 848136814 /nfs/dbraw/zinc/13/68/14/848136814.db2.gz XWZVQBHZDRQHMD-ATVHPVEESA-N -1 0 401.466 4.268 50 0 HIAARM COc1ccc(Br)cc1/C=C\C(=O)c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000096765674 852554869 /nfs/dbraw/zinc/55/48/69/852554869.db2.gz YJKNVGADFDILFT-LRAPTIAOSA-N -1 0 405.244 4.206 50 0 HIAARM Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000206407467 853798263 /nfs/dbraw/zinc/79/82/63/853798263.db2.gz VBFACRANJNYXDI-ZDUSSCGKSA-N -1 0 416.421 4.246 50 0 HIAARM O=C(c1cccs1)N1CCCc2cc([N-]S(=O)(=O)c3cccs3)ccc21 ZINC000005099626 132301206 /nfs/dbraw/zinc/30/12/06/132301206.db2.gz IOMIRRJHMLLZSY-UHFFFAOYSA-N -1 0 404.538 4.203 50 0 HIAARM O=C(c1ccco1)N1CCCc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc21 ZINC000005136525 132302761 /nfs/dbraw/zinc/30/27/61/132302761.db2.gz KIKGDYMMYJYPSY-UHFFFAOYSA-N -1 0 416.886 4.327 50 0 HIAARM COc1cc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c(OC)cc1Cl ZINC000032895485 522757981 /nfs/dbraw/zinc/75/79/81/522757981.db2.gz UBCGLPQNQQXBIC-UHFFFAOYSA-N -1 0 411.785 4.057 50 0 HIAARM COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(F)cc4)c32)c(OC)c1 ZINC000040284301 525238183 /nfs/dbraw/zinc/23/81/83/525238183.db2.gz BZPJGZVLCLMRAF-INIZCTEOSA-N -1 0 410.401 4.455 50 0 HIAARM Cc1c(-c2cccc(Cl)c2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000032096199 525508783 /nfs/dbraw/zinc/50/87/83/525508783.db2.gz XJRLNBVWRNAHPC-MRXNPFEDSA-N -1 0 424.844 4.382 50 0 HIAARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(-c2nc3ccccc3s2)cc1C ZINC000033169123 527657714 /nfs/dbraw/zinc/65/77/14/527657714.db2.gz JHWLWYCGRUZKOS-UHFFFAOYSA-N -1 0 412.540 4.423 50 0 HIAARM CCOc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2)cc1 ZINC000000631142 557026734 /nfs/dbraw/zinc/02/67/34/557026734.db2.gz FPMCASNWYBYEBI-UHFFFAOYSA-N -1 0 414.458 4.278 50 0 HIAARM Cc1cccc(Sc2ccncc2S(=O)(=O)[N-]C(=O)c2ccc(Cl)cc2)c1 ZINC000000987845 557133197 /nfs/dbraw/zinc/13/31/97/557133197.db2.gz AWZCKYJSVLKPCD-UHFFFAOYSA-N -1 0 418.927 4.313 50 0 HIAARM CCOc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1Cl ZINC000001160194 557217538 /nfs/dbraw/zinc/21/75/38/557217538.db2.gz NKRMGBKLOOBTDZ-UHFFFAOYSA-N -1 0 413.282 4.217 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]C(=O)NCCC(c2ccccc2)c2ccccc2)cc1 ZINC000002288485 557334653 /nfs/dbraw/zinc/33/46/53/557334653.db2.gz QTPOSDKSHGNFQU-UHFFFAOYSA-N -1 0 408.523 4.205 50 0 HIAARM COc1ccc([C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000002505556 557353329 /nfs/dbraw/zinc/35/33/29/557353329.db2.gz DARFAJVWLQEHMQ-QFIPXVFZSA-N -1 0 417.461 4.402 50 0 HIAARM O=C([O-])c1ccc(OCCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC000002526810 557354670 /nfs/dbraw/zinc/35/46/70/557354670.db2.gz OHVLIOLJNXNLPK-UHFFFAOYSA-N -1 0 403.434 4.302 50 0 HIAARM CCOc1ccc(OCC)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000002886079 557422140 /nfs/dbraw/zinc/42/21/40/557422140.db2.gz LHKGTSCQQVYEAX-UHFFFAOYSA-N -1 0 400.294 4.047 50 0 HIAARM CCOC(=O)[C@@]([N-]c1ccccc1F)(NC(=O)c1ccccc1Cl)C(F)(F)F ZINC000003103395 557446710 /nfs/dbraw/zinc/44/67/10/557446710.db2.gz USLBJFJBUNOGGN-QGZVFWFLSA-N -1 0 418.774 4.143 50 0 HIAARM COc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(C(=O)[O-])cc1OC ZINC000004825127 557603517 /nfs/dbraw/zinc/60/35/17/557603517.db2.gz LFFHNOPCNJEMJA-VIFPVBQESA-N -1 0 414.241 4.115 50 0 HIAARM O=C([O-])CCC(=O)Nc1ccc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)cc1 ZINC000005409264 557651977 /nfs/dbraw/zinc/65/19/77/557651977.db2.gz VPODIEJFJOOVLO-UHFFFAOYSA-N -1 0 413.433 4.264 50 0 HIAARM CCc1c2oc(=O)c(C(C)=O)c([O-])c2c(=O)n(-c2ccccc2)c1-c1ccccc1 ZINC000005431877 557653306 /nfs/dbraw/zinc/65/33/06/557653306.db2.gz JQFQHPFNHIUDSW-UHFFFAOYSA-N -1 0 401.418 4.082 50 0 HIAARM Cc1cc(C(F)F)nn1Cc1nnc([N-]c2ccn(Cc3ccccc3)n2)s1 ZINC000002730088 557753936 /nfs/dbraw/zinc/75/39/36/557753936.db2.gz LYOYRQBAZVUPEX-UHFFFAOYSA-N -1 0 401.446 4.017 50 0 HIAARM COC(=O)c1c(-c2cccc(C)c2)csc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000002764292 557756446 /nfs/dbraw/zinc/75/64/46/557756446.db2.gz KRQONZAGIJSUPH-LSDHHAIUSA-N -1 0 401.484 4.340 50 0 HIAARM O=C([O-])c1ccc(Cl)cc1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000008417514 557787496 /nfs/dbraw/zinc/78/74/96/557787496.db2.gz MQEJKEXAUZUQDM-UHFFFAOYSA-N -1 0 420.808 4.091 50 0 HIAARM CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@@H]12 ZINC000009425859 557842646 /nfs/dbraw/zinc/84/26/46/557842646.db2.gz GRYNUPJCHQDLHL-AZZUFQGZSA-N -1 0 423.468 4.130 50 0 HIAARM Cc1ccc(OCC(=O)Nc2ccccc2C(=O)Nc2ccc(C(=O)[O-])cc2)cc1C ZINC000009434755 557843254 /nfs/dbraw/zinc/84/32/54/557843254.db2.gz XSZCBYIPLXBUDP-UHFFFAOYSA-N -1 0 418.449 4.271 50 0 HIAARM Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000011844221 558288953 /nfs/dbraw/zinc/28/89/53/558288953.db2.gz ZYENUVYXOBOIAD-FQEVSTJZSA-N -1 0 401.470 4.066 50 0 HIAARM CCc1ccc(-c2[nH]nc3nc(-c4cc(OC)c(O)c(OC)c4)cc(C(=O)[O-])c32)cc1 ZINC000020492387 558378473 /nfs/dbraw/zinc/37/84/73/558378473.db2.gz ILIJDZSMNGPUPX-UHFFFAOYSA-N -1 0 419.437 4.275 50 0 HIAARM COc1ccccc1[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000012351536 558386513 /nfs/dbraw/zinc/38/65/13/558386513.db2.gz LZAACEXURLBYEU-QFIPXVFZSA-N -1 0 403.434 4.360 50 0 HIAARM O=C([O-])c1ccccc1-c1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000022022969 558458670 /nfs/dbraw/zinc/45/86/70/558458670.db2.gz DRLCQXIFTMOVOS-UHFFFAOYSA-N -1 0 400.478 4.010 50 0 HIAARM CC[C@H](NC(=O)CCn1c(=O)c2ccc(Cl)cc2[n-]c1=S)c1ccc(C)cc1 ZINC000012793284 558466932 /nfs/dbraw/zinc/46/69/32/558466932.db2.gz YWZWIERIQCEQES-KRWDZBQOSA-N -1 0 415.946 4.305 50 0 HIAARM O=C(Nc1ccccn1)c1cc2ccccc2cc1[N-]S(=O)(=O)c1cccs1 ZINC000022506869 558492459 /nfs/dbraw/zinc/49/24/59/558492459.db2.gz WIENSOSFGFPOMN-UHFFFAOYSA-N -1 0 409.492 4.349 50 0 HIAARM O=C(OCc1ccc(Cl)nc1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000022987944 558529171 /nfs/dbraw/zinc/52/91/71/558529171.db2.gz CRHZQYGKBHNFQV-UHFFFAOYSA-N -1 0 420.849 4.032 50 0 HIAARM Cc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000006161603 558575734 /nfs/dbraw/zinc/57/57/34/558575734.db2.gz AHVWMCHIMQROPO-UHFFFAOYSA-N -1 0 424.478 4.055 50 0 HIAARM Cc1ccccc1NC(=O)c1cc(S(=O)(=O)[N-]c2ccccn2)ccc1Cl ZINC000000754804 558774265 /nfs/dbraw/zinc/77/42/65/558774265.db2.gz RGYZDLYDEKMGBD-UHFFFAOYSA-N -1 0 401.875 4.097 50 0 HIAARM Cc1sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c(C(=O)NC2CCCCC2)c1C ZINC000017087440 558816342 /nfs/dbraw/zinc/81/63/42/558816342.db2.gz RGNYMTBVKNUQQO-JKSUJKDBSA-N -1 0 406.548 4.257 50 0 HIAARM O=C([O-])CCC(=O)Nc1scc(-c2ccccc2)c1C(=O)NCc1ccccc1 ZINC000017087938 558816786 /nfs/dbraw/zinc/81/67/86/558816786.db2.gz UFSBONOXRCZIMB-UHFFFAOYSA-N -1 0 408.479 4.148 50 0 HIAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCC2 ZINC000017089215 558817921 /nfs/dbraw/zinc/81/79/21/558817921.db2.gz BBRBLTWAGVHCFH-HUUCEWRRSA-N -1 0 412.511 4.319 50 0 HIAARM CCc1c(C)sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1C(=O)NC1CCCCC1 ZINC000017091516 558820119 /nfs/dbraw/zinc/82/01/19/558820119.db2.gz GWDYEEJGOODYMP-IAGOWNOFSA-N -1 0 418.559 4.287 50 0 HIAARM C[C@@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(=O)NC1CC1)CC[C@H](C(C)(C)C)C2 ZINC000017092401 558820787 /nfs/dbraw/zinc/82/07/87/558820787.db2.gz BGBSVOSLTMPLKU-OLZOCXBDSA-N -1 0 420.575 4.231 50 0 HIAARM CCN(CC)C(=S)Sc1c([O-])nc(-c2ccccc2)n(-c2ccccc2)c1=O ZINC000017111133 558822630 /nfs/dbraw/zinc/82/26/30/558822630.db2.gz WTMCKNWQBUZJMZ-UHFFFAOYSA-N -1 0 411.552 4.324 50 0 HIAARM CCCc1ccc(S(=O)(=O)Nc2ccc(N3CCC(C)CC3)cc2C(=O)[O-])cc1 ZINC000033007425 558828304 /nfs/dbraw/zinc/82/83/04/558828304.db2.gz FIFCUKWETSYXAO-UHFFFAOYSA-N -1 0 416.543 4.374 50 0 HIAARM CCN(CC)c1cc(Nc2ccc([N-]S(=O)(=O)c3cccs3)cc2)nc(C)n1 ZINC000033027416 558850001 /nfs/dbraw/zinc/85/00/01/558850001.db2.gz ALSUMOUIBWKBOP-UHFFFAOYSA-N -1 0 417.560 4.237 50 0 HIAARM Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)[O-])c2)c1 ZINC000033253431 558921417 /nfs/dbraw/zinc/92/14/17/558921417.db2.gz IRZGTJZZYLEZGH-UHFFFAOYSA-N -1 0 402.516 4.039 50 0 HIAARM Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC(C)CC2)cc1C ZINC000033253895 558921914 /nfs/dbraw/zinc/92/19/14/558921914.db2.gz DJEQMAXUBSXGQJ-UHFFFAOYSA-N -1 0 416.543 4.347 50 0 HIAARM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC[C@@H](C)C2)c(C)c1 ZINC000033253954 558922110 /nfs/dbraw/zinc/92/21/10/558922110.db2.gz YGWFGEOQWFJMDD-OAHLLOKOSA-N -1 0 402.516 4.039 50 0 HIAARM Cc1nc2sc([C@@H](c3ccc(Br)cc3)N3CCCCC3)c([O-])n2n1 ZINC000023156999 559022035 /nfs/dbraw/zinc/02/20/35/559022035.db2.gz CROKKSNPLMWIKR-CQSZACIVSA-N -1 0 407.337 4.143 50 0 HIAARM COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000006146638 559030739 /nfs/dbraw/zinc/03/07/39/559030739.db2.gz XMSOITODRGREEF-UHFFFAOYSA-N -1 0 414.458 4.196 50 0 HIAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2cc(C)[nH]n2)cc1 ZINC000033306693 559051633 /nfs/dbraw/zinc/05/16/33/559051633.db2.gz XORBVBFCZRPCCV-UHFFFAOYSA-N -1 0 419.528 4.041 50 0 HIAARM C[C@]1(O)CC(=O)C(=C([O-])c2ccccc2)[C@H](c2ccccc2)[C@@H]1C(=O)c1ccccc1 ZINC000100638690 559137243 /nfs/dbraw/zinc/13/72/43/559137243.db2.gz OJSKBPPTQMCPPQ-LUFNOOMBSA-N -1 0 412.485 4.492 50 0 HIAARM O=C([O-])COc1ccc(/C=C/c2nc(-c3ccccc3O)n(-c3ccccc3)n2)cc1 ZINC000004825713 559154406 /nfs/dbraw/zinc/15/44/06/559154406.db2.gz UUMYTFNURDQBBY-NTCAYCPXSA-N -1 0 413.433 4.274 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000004865485 559193785 /nfs/dbraw/zinc/19/37/85/559193785.db2.gz IUJIDNPWDVVXMN-IAGOWNOFSA-N -1 0 410.543 4.221 50 0 HIAARM CCn1c(=O)c(C(=O)Nc2ccc(C)cc2Br)c([O-])c2ccccc21 ZINC000100602442 559240614 /nfs/dbraw/zinc/24/06/14/559240614.db2.gz YLQUODABCAWPEG-UHFFFAOYSA-N -1 0 401.260 4.050 50 0 HIAARM CCCCCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000005156103 559258422 /nfs/dbraw/zinc/25/84/22/559258422.db2.gz WLYCAMALWZOTHN-UHFFFAOYSA-N -1 0 414.531 4.431 50 0 HIAARM Oc1ccc2c(c1)Oc1ncn3nc(-c4ccccc4O)nc3c1[C@H]2c1ccccc1 ZINC000005179840 559289277 /nfs/dbraw/zinc/28/92/77/559289277.db2.gz AQUDKPAFMBXGTI-FQEVSTJZSA-N -1 0 408.417 4.488 50 0 HIAARM COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)[O-])c(Br)c3N2)cc1 ZINC000002228037 560559421 /nfs/dbraw/zinc/55/94/21/560559421.db2.gz WXYBLRGDIOZLQS-ZJUUUORDSA-N -1 0 420.185 4.013 50 0 HIAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1cccc(F)c1)c1ccc(F)cc1 ZINC000017207923 560703955 /nfs/dbraw/zinc/70/39/55/560703955.db2.gz DFAWYTQBGZOTMI-UHFFFAOYSA-N -1 0 412.421 4.452 50 0 HIAARM CCc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101060680 560768732 /nfs/dbraw/zinc/76/87/32/560768732.db2.gz DMWYOYUUWMQWHL-ZLNRFVROSA-N -1 0 416.452 4.439 50 0 HIAARM COc1cccc(-n2c(=O)c(C(=O)Nc3ccc(Cl)cc3)c([O-])c3cccnc32)c1 ZINC000101722175 560798750 /nfs/dbraw/zinc/79/87/50/560798750.db2.gz FXHNPZSOFVIYTM-UHFFFAOYSA-N -1 0 421.840 4.006 50 0 HIAARM O=C(Nc1ccccc1Cl)c1c([O-])c2cccnc2n(-c2ccc(F)cc2)c1=O ZINC000101723075 560799149 /nfs/dbraw/zinc/79/91/49/560799149.db2.gz ODOZMNPJPUTTHW-UHFFFAOYSA-N -1 0 409.804 4.136 50 0 HIAARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1CC(=O)Nc1ccccc1F ZINC000101831135 560802896 /nfs/dbraw/zinc/80/28/96/560802896.db2.gz SJGHIZBFEJYLFZ-UHFFFAOYSA-N -1 0 408.458 4.330 50 0 HIAARM Cc1cc(C)nc(-n2nc3[nH]cc4c(c-3c2=O)C[C@H](c2cccc(Cl)c2)CC4=O)n1 ZINC000102744345 560823788 /nfs/dbraw/zinc/82/37/88/560823788.db2.gz CLNLDTFFQOMZQZ-AWEZNQCLSA-N -1 0 419.872 4.099 50 0 HIAARM O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccccc1 ZINC000103077019 560837607 /nfs/dbraw/zinc/83/76/07/560837607.db2.gz UZEJVECWEUQYJT-PCCBWWKXSA-N -1 0 404.853 4.391 50 0 HIAARM CCCn1nc(C)cc1CN(C)c1ccc(NC(=O)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000046053636 568425397 /nfs/dbraw/zinc/42/53/97/568425397.db2.gz YCJLULNVZJVYJS-UHFFFAOYSA-N -1 0 424.476 4.328 50 0 HIAARM Cc1ccc2nc(Cl)c([C@@H]3CC(c4ccco4)=NN3C(=O)CCC(=O)[O-])cc2c1 ZINC000000798796 568483061 /nfs/dbraw/zinc/48/30/61/568483061.db2.gz YBRJNLACZKIOET-KRWDZBQOSA-N -1 0 411.845 4.332 50 0 HIAARM C[C@]12C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@H]1C1c3ccccc3C2c2ccccc21 ZINC000000828208 568500300 /nfs/dbraw/zinc/50/03/00/568500300.db2.gz AMDPEQKHSLHQMI-CIFGUPKKSA-N -1 0 409.441 4.172 50 0 HIAARM CCCCN(C)c1ccc(NS(=O)(=O)c2cc(C)c(C)cc2C)cc1C(=O)[O-] ZINC000033253372 568512129 /nfs/dbraw/zinc/51/21/29/568512129.db2.gz GKEXDVAKZUYMTC-UHFFFAOYSA-N -1 0 404.532 4.347 50 0 HIAARM O=C([O-])c1cc(-c2ccc(O)cc2)nc2n[nH]c(-c3ccc(Br)cc3)c21 ZINC000020492185 568614880 /nfs/dbraw/zinc/61/48/80/568614880.db2.gz FCJFLTRAXQXCIX-UHFFFAOYSA-N -1 0 410.227 4.458 50 0 HIAARM O=C([O-])c1ccc(-n2ncc3c2NC(=O)CS[C@H]3c2ccc(F)c(F)c2)cc1 ZINC000095476507 568630417 /nfs/dbraw/zinc/63/04/17/568630417.db2.gz FLPHXIQDILOVEW-KRWDZBQOSA-N -1 0 401.394 4.273 50 0 HIAARM O=C([O-])c1cc(NS(=O)(=O)/C=C\c2ccc(Cl)cc2)ccc1OC(F)F ZINC000096034905 568687016 /nfs/dbraw/zinc/68/70/16/568687016.db2.gz ZMHKEPWGVLTHKD-FPLPWBNLSA-N -1 0 403.790 4.052 50 0 HIAARM Cc1cc(C)cc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000096361110 568738918 /nfs/dbraw/zinc/73/89/18/568738918.db2.gz GKVNUSLNCBLCNF-UHFFFAOYSA-N -1 0 412.515 4.203 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCCc2ccccc2)cc1 ZINC000000939284 568752598 /nfs/dbraw/zinc/75/25/98/568752598.db2.gz FNCZARMBTUGPPE-UHFFFAOYSA-N -1 0 418.522 4.394 50 0 HIAARM O=C([O-])c1csc(CSc2nnc(-c3ccco3)n2-c2ccc(F)cc2)n1 ZINC000000965060 568758409 /nfs/dbraw/zinc/75/84/09/568758409.db2.gz ZUQMWEPGWZAOLE-UHFFFAOYSA-N -1 0 402.432 4.113 50 0 HIAARM Cc1cnn([C@H](C)c2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)c1 ZINC000002731247 568804891 /nfs/dbraw/zinc/80/48/91/568804891.db2.gz WUGIHDKTZGCHNS-GFCCVEGCSA-N -1 0 417.901 4.433 50 0 HIAARM O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3F)[C@@H]2C(=O)N1c1cccc(F)c1 ZINC000230055632 568805349 /nfs/dbraw/zinc/80/53/49/568805349.db2.gz NBHWJPUIBACJGY-PWRODBHTSA-N -1 0 406.388 4.016 50 0 HIAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC000012526454 568843274 /nfs/dbraw/zinc/84/32/74/568843274.db2.gz GNOMRIKGAMRPRU-UHFFFAOYSA-N -1 0 407.442 4.020 50 0 HIAARM CC[C@@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(Cl)cc1)c2=O ZINC000003043706 568848213 /nfs/dbraw/zinc/84/82/13/568848213.db2.gz DTMRPQDNKVPAON-GFCCVEGCSA-N -1 0 401.919 4.289 50 0 HIAARM CCOC(=O)[C@@H]1CCCN(c2nc(-c3cc4ccccc4s3)ccc2C(=O)[O-])C1 ZINC000299775532 568874519 /nfs/dbraw/zinc/87/45/19/568874519.db2.gz DPMZFTOCAWUGKM-OAHLLOKOSA-N -1 0 410.495 4.441 50 0 HIAARM CCCn1c(=O)c(C(=O)Nc2ccc(C)cc2Br)c([O-])c2ccccc21 ZINC000001243075 568908344 /nfs/dbraw/zinc/90/83/44/568908344.db2.gz FSQUTNZMFGYIGO-UHFFFAOYSA-N -1 0 415.287 4.440 50 0 HIAARM COc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc1COc1cc(C)c(Cl)c(C)c1 ZINC000004204817 568951488 /nfs/dbraw/zinc/95/14/88/568951488.db2.gz WNNKUHGYJPBLCS-VQIMIIECSA-N -1 0 407.919 4.333 50 0 HIAARM COc1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(F)cc3)n2)c(OC)c1OC ZINC000015677208 568965139 /nfs/dbraw/zinc/96/51/39/568965139.db2.gz UMSUPHIUOOQHTI-UHFFFAOYSA-N -1 0 423.400 4.155 50 0 HIAARM COC(=O)c1c(SCC(=O)Nc2ccc(C(C)C)cc2)[n-]c2ccccc2c1=O ZINC000015731495 568981826 /nfs/dbraw/zinc/98/18/26/568981826.db2.gz SGUPATAULKZORO-UHFFFAOYSA-N -1 0 410.495 4.169 50 0 HIAARM COC(=O)c1c(=O)c2cc(C)ccc2[n-]c1SCC(=O)Nc1cccc(Cl)c1 ZINC000015731507 568982178 /nfs/dbraw/zinc/98/21/78/568982178.db2.gz SAWUMRDZVVUGPK-UHFFFAOYSA-N -1 0 416.886 4.007 50 0 HIAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)c1 ZINC000008390967 568998411 /nfs/dbraw/zinc/99/84/11/568998411.db2.gz JPFLROBZLLVVDZ-UHFFFAOYSA-N -1 0 419.543 4.281 50 0 HIAARM O=C([O-])C[C@@H]1c2ccccc2CCN1C(=O)Nc1ccc(Br)cc1F ZINC000015782073 569002885 /nfs/dbraw/zinc/00/28/85/569002885.db2.gz BZPGXQVEMNGJEH-MRXNPFEDSA-N -1 0 407.239 4.194 50 0 HIAARM O=S(=O)([N-]c1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1ccccc1F ZINC000015882227 569019034 /nfs/dbraw/zinc/01/90/34/569019034.db2.gz LOWVMOAKOZNOJN-UHFFFAOYSA-N -1 0 412.490 4.074 50 0 HIAARM CC(C)c1ccc(S(=O)(=O)Nc2cnc(N3CCCCCC3)c(C(=O)[O-])c2)cc1 ZINC000035397430 569034870 /nfs/dbraw/zinc/03/48/70/569034870.db2.gz AKADNOXNJWUUHH-UHFFFAOYSA-N -1 0 417.531 4.084 50 0 HIAARM O=S(=O)([N-]c1cnc(Oc2ccccc2F)nc1)c1ccc(C(F)(F)F)cc1 ZINC000090607760 569042100 /nfs/dbraw/zinc/04/21/00/569042100.db2.gz LVMSNTLVDRWBQK-UHFFFAOYSA-N -1 0 413.352 4.228 50 0 HIAARM COc1cc([N-]S(=O)(=O)c2cc(Br)ccc2C)c(OC)cc1Cl ZINC000018707803 569047146 /nfs/dbraw/zinc/04/71/46/569047146.db2.gz CYCIDMTVINPBPL-UHFFFAOYSA-N -1 0 420.712 4.229 50 0 HIAARM O=C1C([O-])=C(S(=O)(=O)c2ccccc2)[C@@H](c2ccccc2)N1c1ccc(F)cc1 ZINC000064557772 569066876 /nfs/dbraw/zinc/06/68/76/569066876.db2.gz PKNRQSXIFNJVJU-LJQANCHMSA-N -1 0 409.438 4.157 50 0 HIAARM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(CC(=O)N3CCCCC3)s2)c(C)c1 ZINC000064919779 569120917 /nfs/dbraw/zinc/12/09/17/569120917.db2.gz AZBIZHMVKTZKTA-UHFFFAOYSA-N -1 0 406.573 4.029 50 0 HIAARM O=C([O-])c1sc2c(c1-c1ccccc1Cl)NC(=O)C[C@]21C(=O)Nc2ccccc21 ZINC000036353946 569147922 /nfs/dbraw/zinc/14/79/22/569147922.db2.gz OCJPYYGVVKAXOW-OAQYLSRUSA-N -1 0 424.865 4.347 50 0 HIAARM O=C([O-])[C@H](NC(=O)Cn1ccc2cc(OCc3ccccc3)ccc21)c1ccccc1 ZINC000036364818 569152053 /nfs/dbraw/zinc/15/20/53/569152053.db2.gz UBVXUFMKUBWNGY-XMMPIXPASA-N -1 0 414.461 4.162 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)cc1OC ZINC000065004222 569152380 /nfs/dbraw/zinc/15/23/80/569152380.db2.gz RXRBDZXSSFJHTD-UHFFFAOYSA-N -1 0 420.512 4.489 50 0 HIAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2csc(C)n2)ccc1OC ZINC000065060212 569163920 /nfs/dbraw/zinc/16/39/20/569163920.db2.gz IUIIVKGAHUQXKL-UHFFFAOYSA-N -1 0 404.513 4.327 50 0 HIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2nnc(C3CC3)o2)cs1 ZINC000065098727 569176876 /nfs/dbraw/zinc/17/68/76/569176876.db2.gz HYMHBLZOUVRUCX-UHFFFAOYSA-N -1 0 411.892 4.138 50 0 HIAARM CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3cccc(CC)c3)c(C)n2CC)o1 ZINC000065186603 569192183 /nfs/dbraw/zinc/19/21/83/569192183.db2.gz LJRBVDMSKHYLKZ-UHFFFAOYSA-N -1 0 402.520 4.100 50 0 HIAARM Cc1c(-c2nc(C3CCC3)no2)c(S(=O)(=O)[N-]c2ccc(C)cc2)c(C)n1C ZINC000065194593 569192761 /nfs/dbraw/zinc/19/27/61/569192761.db2.gz PRSLKMWIXBIBOP-UHFFFAOYSA-N -1 0 400.504 4.069 50 0 HIAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnc(C3CCCC3)o2)o1 ZINC000065246468 569205591 /nfs/dbraw/zinc/20/55/91/569205591.db2.gz ACHSWWGAHYAGMA-UHFFFAOYSA-N -1 0 403.460 4.187 50 0 HIAARM Cc1ccc2[nH]c(=O)c(-c3nc(-c4ccc(F)c(Br)c4)no3)c([O-])c2c1 ZINC000065248671 569205768 /nfs/dbraw/zinc/20/57/68/569205768.db2.gz FGTDULDZRZWHLG-UHFFFAOYSA-N -1 0 416.206 4.161 50 0 HIAARM Cc1[n-]n(-c2ccccc2)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(=O)c1-2 ZINC000007424036 569238060 /nfs/dbraw/zinc/23/80/60/569238060.db2.gz NGKGJOKORZOIPC-UHFFFAOYSA-N -1 0 412.371 4.293 50 0 HIAARM Cc1cc(C)cc(Nc2nc(Nc3cc(C)cc(C)c3)nc(N[C@@H](C)C(=O)[O-])n2)c1 ZINC000007498931 569242698 /nfs/dbraw/zinc/24/26/98/569242698.db2.gz VZMCYZNFPRRNOP-INIZCTEOSA-N -1 0 406.490 4.477 50 0 HIAARM O=C([O-])c1cccc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000013264847 569254498 /nfs/dbraw/zinc/25/44/98/569254498.db2.gz YTNYLTQZKIYNGY-UHFFFAOYSA-N -1 0 413.295 4.223 50 0 HIAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)C(C)(C)C)CC2 ZINC000013696537 569257166 /nfs/dbraw/zinc/25/71/66/569257166.db2.gz RJECUOWQSLQQLS-UHFFFAOYSA-N -1 0 422.934 4.085 50 0 HIAARM O=C(OCc1cccc(F)c1F)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000014071509 569258479 /nfs/dbraw/zinc/25/84/79/569258479.db2.gz FXXPCOAMMNHHQQ-UHFFFAOYSA-N -1 0 409.435 4.184 50 0 HIAARM O=C([O-])CCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccc(Br)c1 ZINC000089774398 569263794 /nfs/dbraw/zinc/26/37/94/569263794.db2.gz UUTZWJXMTSPBSC-AWEZNQCLSA-N -1 0 407.289 4.053 50 0 HIAARM Cc1coc2cc3oc(=O)c(CCC(=O)N[C@@H](C(=O)[O-])c4ccccc4)c(C)c3cc12 ZINC000002157252 569290404 /nfs/dbraw/zinc/29/04/04/569290404.db2.gz LTRQEJSASBIXOF-JOCHJYFZSA-N -1 0 419.433 4.031 50 0 biogenic HIAARM CCCC[C@@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)[O-] ZINC000002156172 569290408 /nfs/dbraw/zinc/29/04/08/569290408.db2.gz PFWOPTMGKWBPBJ-GOSISDBHSA-N -1 0 413.470 4.075 50 0 biogenic HIAARM CCCCCn1c(=O)c2ccc(C(=O)NCc3ccccc3Cl)cc2[n-]c1=S ZINC000003630057 569321239 /nfs/dbraw/zinc/32/12/39/569321239.db2.gz HLCMUPQFCPJNMV-UHFFFAOYSA-N -1 0 415.946 4.459 50 0 HIAARM O=C([O-])CCC(=O)N1N=C(c2ccsc2)C[C@@H]1c1cccc(Br)c1 ZINC000253433632 569370592 /nfs/dbraw/zinc/37/05/92/569370592.db2.gz ZOEQSOFTHHRUQA-OAHLLOKOSA-N -1 0 407.289 4.053 50 0 HIAARM Cc1ccc(CNc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000002391407 569394035 /nfs/dbraw/zinc/39/40/35/569394035.db2.gz MQMYGKMPOVJTCT-UHFFFAOYSA-N -1 0 404.495 4.351 50 0 HIAARM CCO/C(=C\[C@H]1Oc2ccc(-c3ccccc3)cc2N1CCCS(=O)(=O)[O-])CC ZINC000004774829 571045246 /nfs/dbraw/zinc/04/52/46/571045246.db2.gz ZVGIJVKRPRXMAE-XGHSKXIFSA-N -1 0 417.527 4.487 50 0 HIAARM O=C([O-])CSc1nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc2s1 ZINC000008673938 571101008 /nfs/dbraw/zinc/10/10/08/571101008.db2.gz IXWUCMZBERJGMM-UHFFFAOYSA-N -1 0 408.888 4.144 50 0 HIAARM Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCCCC(=O)[O-])cc1 ZINC000008867820 571129669 /nfs/dbraw/zinc/12/96/69/571129669.db2.gz ZZLDIDDFURJXAX-OAQYLSRUSA-N -1 0 405.450 4.292 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)s1 ZINC000009168276 571233136 /nfs/dbraw/zinc/23/31/36/571233136.db2.gz IPNKXCVLDRKLEK-UHFFFAOYSA-N -1 0 422.572 4.265 50 0 HIAARM CCOc1ccccc1[N-]S(=O)(=O)c1c(-c2ccccc2)csc1C(=O)OC ZINC000009645809 571276351 /nfs/dbraw/zinc/27/63/51/571276351.db2.gz QOAIHQBCSABZPG-UHFFFAOYSA-N -1 0 417.508 4.401 50 0 HIAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)c1C(=O)N1CCCCC1 ZINC000009684528 571279466 /nfs/dbraw/zinc/27/94/66/571279466.db2.gz BEZNNNONJNOTFB-UHFFFAOYSA-N -1 0 403.548 4.182 50 0 HIAARM CN1c2cc(-c3ccccc3)ccc2S/C1=C1\SC(=S)N(CC(=O)[O-])C1=O ZINC000109560367 571314598 /nfs/dbraw/zinc/31/45/98/571314598.db2.gz GHBDYENAZOGIKS-VLGSPTGOSA-N -1 0 414.533 4.010 50 0 HIAARM O=C([O-])c1ccc2c(=O)[nH]c(C(Cl)=Cc3ccc(F)c(Br)c3)nc2c1 ZINC000012877250 845896105 /nfs/dbraw/zinc/89/61/05/845896105.db2.gz SWDUQTQCTIPEPN-SDQBBNPISA-N -1 0 423.625 4.260 50 0 HIAARM COc1ccc(/C=C2\CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc1OCC(C)C ZINC000013017865 845903585 /nfs/dbraw/zinc/90/35/85/845903585.db2.gz BMPDEQORRSTDNN-MHWRWJLKSA-N -1 0 420.465 4.082 50 0 HIAARM Cc1c(C(=O)[O-])sc2nc3n(c(=O)c12)CC/C3=C\c1cccc(C(F)(F)F)c1 ZINC000014120393 845926106 /nfs/dbraw/zinc/92/61/06/845926106.db2.gz KQGHYROVASEVIT-YRNVUSSQSA-N -1 0 406.385 4.428 50 0 HIAARM O=c1oc2ccccc2c(NC2CCCC2)c1NS(=O)(=O)c1cc(F)ccc1F ZINC000045962398 848759142 /nfs/dbraw/zinc/75/91/42/848759142.db2.gz ADERGIGROUDCQK-UHFFFAOYSA-N -1 0 420.437 4.227 50 0 HIAARM O=C([O-])c1cc(/C=C\c2ccccc2OCC(=O)N2CCCC2)nc2ccccc21 ZINC000096792021 852555094 /nfs/dbraw/zinc/55/50/94/852555094.db2.gz PURQKDKUPUJYBF-QXMHVHEDSA-N -1 0 402.450 4.105 50 0 HIAARM COc1ccc(C(=O)NN=C(CCC(=O)[O-])c2ccc(C(C)(C)C)cc2)cc1OC ZINC000254708157 854213543 /nfs/dbraw/zinc/21/35/43/854213543.db2.gz YATNUPFYTOVWGB-UHFFFAOYSA-N -1 0 412.486 4.000 50 0 HIAARM O=C([O-])c1cc(/C=C/c2cc3ccccc3nc2N2CCOCC2)nc2ccccc21 ZINC000006639915 132312254 /nfs/dbraw/zinc/31/22/54/132312254.db2.gz LZOPDKHYVGFUHN-MDZDMXLPSA-N -1 0 411.461 4.488 50 0 HIAARM O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc21)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000012323371 132358583 /nfs/dbraw/zinc/35/85/83/132358583.db2.gz DZQCQHXBJMLWIU-LJQANCHMSA-N -1 0 404.297 4.423 50 0 HIAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2cc(Cl)c(Cl)cc2Cl)C[C@H]1C(=O)[O-] ZINC000042783170 518817626 /nfs/dbraw/zinc/81/76/26/518817626.db2.gz QKFJCRWBCXAUNP-UFBFGSQYSA-N -1 0 410.681 4.488 50 0 HIAARM CC(C)[C@H](NC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1)c1ccc(Cl)cc1 ZINC000032795307 519818879 /nfs/dbraw/zinc/81/88/79/519818879.db2.gz GXZNRURJNLDHMZ-INIZCTEOSA-N -1 0 404.923 4.177 50 0 HIAARM COC(=O)C[C@@H](NC(=O)c1cc(Cl)c([O-])c(Cl)c1)c1ccccc1Cl ZINC000032904315 523277528 /nfs/dbraw/zinc/27/75/28/523277528.db2.gz HQLCDHAXZVHJAJ-CQSZACIVSA-N -1 0 402.661 4.387 50 0 HIAARM Cc1cc(S(=O)(=O)[N-]c2ccccc2-n2cc(Br)cn2)c(C)s1 ZINC000032926315 525422766 /nfs/dbraw/zinc/42/27/66/525422766.db2.gz LLONVJGHATYUGY-UHFFFAOYSA-N -1 0 412.334 4.114 50 0 HIAARM O=S(=O)([N-]c1cccc(OC[C@@H]2CCCO2)c1)c1cc(Cl)ccc1Cl ZINC000032776757 527253332 /nfs/dbraw/zinc/25/33/32/527253332.db2.gz CSPOMRUEUFDPGC-HNNXBMFYSA-N -1 0 402.299 4.352 50 0 HIAARM CC(C)(C)O[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000000621983 557019475 /nfs/dbraw/zinc/01/94/75/557019475.db2.gz WPBXBYOKQUEIDW-VFNWGFHPSA-N -1 0 409.482 4.278 50 0 HIAARM CCOC(=O)c1c(C)nc2sc3c([n-]nnc3=O)c2c1-c1ccc(Cl)cc1 ZINC000000643024 557033753 /nfs/dbraw/zinc/03/37/53/557033753.db2.gz CBPRSFYKVZRSLN-UHFFFAOYSA-N -1 0 400.847 4.146 50 0 HIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C(C)C)cc3)cc2)nc(C)n1 ZINC000000670995 557049112 /nfs/dbraw/zinc/04/91/12/557049112.db2.gz FEHJZBPONQFJHY-UHFFFAOYSA-N -1 0 424.526 4.270 50 0 HIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)no1 ZINC000000672002 557049660 /nfs/dbraw/zinc/04/96/60/557049660.db2.gz OIRYHEQQYWVTGM-UHFFFAOYSA-N -1 0 406.851 4.081 50 0 HIAARM O=C(CN1C(=O)S/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C1=O)Nc1ccccc1 ZINC000001012846 557142232 /nfs/dbraw/zinc/14/22/32/557142232.db2.gz QYFMEUHOMMYRBU-ZSOIEALJSA-N -1 0 423.277 4.374 50 0 HIAARM COC(=O)c1sccc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000001026212 557145034 /nfs/dbraw/zinc/14/50/34/557145034.db2.gz SATSHSFULOVUQK-UHFFFAOYSA-N -1 0 400.692 4.296 50 0 HIAARM Cc1cc(=O)oc2cc(OP(=O)([O-])Oc3ccc4c(C)cc(=O)oc4c3)ccc12 ZINC000002554957 557355966 /nfs/dbraw/zinc/35/59/66/557355966.db2.gz FEGSOIMPQDYXJD-UHFFFAOYSA-N -1 0 414.306 4.074 50 0 in-vitro HIAARM COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000002767149 557382712 /nfs/dbraw/zinc/38/27/12/557382712.db2.gz YSHCRIORPHRARX-HOTGVXAUSA-N -1 0 413.495 4.424 50 0 HIAARM O=C([O-])C[C@@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1Cl ZINC000003325320 557474305 /nfs/dbraw/zinc/47/43/05/557474305.db2.gz ZHWTYYRTLPAHBM-CQSZACIVSA-N -1 0 408.690 4.141 50 0 HIAARM Cc1cc(COC(=O)c2ccccc2[N-]S(=O)(=O)c2c(C)cc(C)cc2C)no1 ZINC000010556582 557541337 /nfs/dbraw/zinc/54/13/37/557541337.db2.gz ZDBZLNMPHSKONX-UHFFFAOYSA-N -1 0 414.483 4.066 50 0 HIAARM COc1cc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)ccc1OCc1ccc(Cl)nc1 ZINC000005269524 557642735 /nfs/dbraw/zinc/64/27/35/557642735.db2.gz XDFVOECRYCSYOR-UHFFFAOYSA-N -1 0 412.873 4.311 50 0 HIAARM Cc1ccc2c(nc3s/c(=C\c4ccc(-c5ccccc5C(=O)[O-])o4)c(=O)n32)c1C ZINC000006459890 557703570 /nfs/dbraw/zinc/70/35/70/557703570.db2.gz TZFWFKLCIVBBOL-ODLFYWEKSA-N -1 0 416.458 4.032 50 0 HIAARM Clc1cccc(Cl)c1Cn1ccc([N-]c2nnc(Cn3cccn3)s2)n1 ZINC000002731615 557754526 /nfs/dbraw/zinc/75/45/26/557754526.db2.gz XLOODTPZPQWGFD-UHFFFAOYSA-N -1 0 406.302 4.078 50 0 HIAARM Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000002762716 557755849 /nfs/dbraw/zinc/75/58/49/557755849.db2.gz FJKDRXXCMIRMKS-CABCVRRESA-N -1 0 422.312 4.461 50 0 HIAARM CCCCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1Cl)c2=O ZINC000002969744 557774927 /nfs/dbraw/zinc/77/49/27/557774927.db2.gz CVROVFWXQLOSGA-UHFFFAOYSA-N -1 0 415.946 4.307 50 0 HIAARM CCc1nc2sc([C@H](c3cccc(F)c3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000022855055 557842065 /nfs/dbraw/zinc/84/20/65/557842065.db2.gz HABSHUZOUWTGCD-IBGZPJMESA-N -1 0 408.502 4.346 50 0 HIAARM Cc1nn(CC(=O)[O-])c2nc(-c3cccc(OC(F)F)c3)cc(C(F)(F)F)c12 ZINC000020604481 558386840 /nfs/dbraw/zinc/38/68/40/558386840.db2.gz JJCZQNNXTPMPBD-UHFFFAOYSA-N -1 0 401.291 4.112 50 0 HIAARM CC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c1 ZINC000013682312 558567283 /nfs/dbraw/zinc/56/72/83/558567283.db2.gz MLLKFIVWIAUEQD-UHFFFAOYSA-N -1 0 400.481 4.004 50 0 HIAARM COc1ccc(NC(=O)c2c(NC(=O)CCC(=O)[O-])sc3c2CCCCC3)cc1 ZINC000004550571 558680091 /nfs/dbraw/zinc/68/00/91/558680091.db2.gz PVMYJHRPBVKFJQ-UHFFFAOYSA-N -1 0 416.499 4.081 50 0 HIAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000030032287 558726704 /nfs/dbraw/zinc/72/67/04/558726704.db2.gz LIMJBRZNKLEULG-LJQANCHMSA-N -1 0 421.547 4.477 50 0 HIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc4ccccc43)cc2)no1 ZINC000000953391 558774852 /nfs/dbraw/zinc/77/48/52/558774852.db2.gz NMSIPPCLDKSYBQ-UHFFFAOYSA-N -1 0 407.451 4.189 50 0 HIAARM Cc1cccc(NC(=O)c2cc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])ccc2Cl)n1 ZINC000001069876 558775136 /nfs/dbraw/zinc/77/51/36/558775136.db2.gz JAMLLYYTRZICGW-GJZGRUSLSA-N -1 0 415.877 4.125 50 0 HIAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000016200189 558778081 /nfs/dbraw/zinc/77/80/81/558778081.db2.gz RWCJHIBXUCDCCV-UHFFFAOYSA-N -1 0 407.367 4.203 50 0 HIAARM COc1ccccc1NC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)CC(=O)[O-] ZINC000017082874 558815196 /nfs/dbraw/zinc/81/51/96/558815196.db2.gz HMMHQOJOPDCATR-LLVKDONJSA-N -1 0 404.488 4.065 50 0 HIAARM CC[C@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)NC2CCCCC2)C1 ZINC000017087454 558816345 /nfs/dbraw/zinc/81/63/45/558816345.db2.gz NDVTUPPZPKXWAA-ZDUSSCGKSA-N -1 0 406.548 4.129 50 0 HIAARM CC(C)NC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000017088088 558816847 /nfs/dbraw/zinc/81/68/47/558816847.db2.gz QRVHHWSKWBRMHD-CYBMUJFWSA-N -1 0 408.564 4.231 50 0 HIAARM CCc1c(C)sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1C(=O)Nc1ccccc1 ZINC000017089200 558817715 /nfs/dbraw/zinc/81/77/15/558817715.db2.gz IKEGSCASKFINEB-DLBZAZTESA-N -1 0 412.511 4.477 50 0 HIAARM C[C@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CC[C@H](C)C2 ZINC000017092417 558820940 /nfs/dbraw/zinc/82/09/40/558820940.db2.gz SXYOMHWURAZQGK-KBPBESRZSA-N -1 0 420.575 4.375 50 0 HIAARM Cc1ccc(S(=O)(=O)Nc2ccc(N3CCC(C)CC3)cc2C(=O)[O-])cc1C ZINC000033007273 558827911 /nfs/dbraw/zinc/82/79/11/558827911.db2.gz POVCZGBLXISBML-UHFFFAOYSA-N -1 0 402.516 4.039 50 0 HIAARM O=C1[N-]C(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/C=C/c1ccccc1 ZINC000001170514 558836426 /nfs/dbraw/zinc/83/64/26/558836426.db2.gz BLHJTYHIUWTKPJ-CUJDEGIUSA-N -1 0 403.290 4.381 50 0 HIAARM O=C([O-])CSc1nc2ccc(Cl)cc2n2c(-c3ccc(Cl)cc3)nnc12 ZINC000068734554 558864697 /nfs/dbraw/zinc/86/46/97/558864697.db2.gz AYTXOZHABBRXGV-UHFFFAOYSA-N -1 0 405.266 4.428 50 0 HIAARM Cc1ccccc1N1CCN(c2ccccc2NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000004661713 558874617 /nfs/dbraw/zinc/87/46/17/558874617.db2.gz XESHUQUOBXVRSV-UXHICEINSA-N -1 0 421.541 4.151 50 0 HIAARM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccccn1 ZINC000058245638 558914514 /nfs/dbraw/zinc/91/45/14/558914514.db2.gz BNOQDXUHQCHTLX-UHFFFAOYSA-N -1 0 419.865 4.236 50 0 HIAARM CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2ccccc2C)s1 ZINC000033306425 559051423 /nfs/dbraw/zinc/05/14/23/559051423.db2.gz ZIRCVNGJBNVIEQ-CSKARUKUSA-N -1 0 417.512 4.283 50 0 HIAARM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccccc1-c1nc(-c2ccccc2)no1 ZINC000033307006 559051920 /nfs/dbraw/zinc/05/19/20/559051920.db2.gz PECPBETZHGPEFH-UHFFFAOYSA-N -1 0 413.405 4.483 50 0 HIAARM COc1cc(Cl)c(C)cc1NC(=O)c1c(=O)[nH]c2sc3c(c2c1[O-])CCCC3 ZINC000033308680 559052823 /nfs/dbraw/zinc/05/28/23/559052823.db2.gz NAQCKWGWSLIMDN-UHFFFAOYSA-N -1 0 418.902 4.397 50 0 HIAARM CCCOc1ccc(/C=C/C(=O)Nc2cc(OC)c(C(=O)[O-])cc2Cl)cc1OC ZINC000011582436 559112143 /nfs/dbraw/zinc/11/21/43/559112143.db2.gz VPAALYWFPXOJGW-SOFGYWHQSA-N -1 0 419.861 4.496 50 0 HIAARM O=c1oc(-c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2)nc2ccccc12 ZINC000100394777 559134825 /nfs/dbraw/zinc/13/48/25/559134825.db2.gz HIDYCHLBCNSHSG-UHFFFAOYSA-N -1 0 412.854 4.309 50 0 HIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2C)c1 ZINC000014252267 559162439 /nfs/dbraw/zinc/16/24/39/559162439.db2.gz NXZXBGBRYNPXMX-AWEZNQCLSA-N -1 0 422.934 4.164 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CC3CCCC3)ccc2OC)cc1 ZINC000005065488 559239730 /nfs/dbraw/zinc/23/97/30/559239730.db2.gz GSPIGDCUXPUCTD-UHFFFAOYSA-N -1 0 418.515 4.023 50 0 HIAARM O=C(COC(=O)c1cc(Cl)c2ccccc2c1O)N1CCC[C@H](C(F)(F)F)C1 ZINC000061526676 559248918 /nfs/dbraw/zinc/24/89/18/559248918.db2.gz WTJAYGXQDZSXRP-NSHDSACASA-N -1 0 415.795 4.157 50 0 HIAARM COc1ccc(-c2ccc(C(=O)[O-])o2)c(NC(=S)NC(=O)c2ccccc2C)c1 ZINC000226355149 559273608 /nfs/dbraw/zinc/27/36/08/559273608.db2.gz LUPUBKGDKCUILB-UHFFFAOYSA-N -1 0 410.451 4.089 50 0 HIAARM O=S(=O)([N-]c1ccc(-c2nncs2)cc1)c1cc(C(F)(F)F)ccc1F ZINC000253424441 559280410 /nfs/dbraw/zinc/28/04/10/559280410.db2.gz GEGWXKNZTZFIDO-UHFFFAOYSA-N -1 0 403.382 4.164 50 0 HIAARM Cc1ccc(Nc2c(C(=O)[O-])c[nH+]c3ccc(C(=O)[O-])cc32)cc1Br ZINC000005510805 560602784 /nfs/dbraw/zinc/60/27/84/560602784.db2.gz KEZRTFXCZZBKAX-UHFFFAOYSA-N -1 0 401.216 4.446 50 0 HIAARM C[C@@H]1C[C@H](C)CN(C(=O)CSc2nnc(-c3ccccc3O)n2-c2ccccc2)C1 ZINC000018068165 560774554 /nfs/dbraw/zinc/77/45/54/560774554.db2.gz VDDKVRWFOAQQJH-CALCHBBNSA-N -1 0 422.554 4.237 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000018141212 560779705 /nfs/dbraw/zinc/77/97/05/560779705.db2.gz IUJIDNPWDVVXMN-CALCHBBNSA-N -1 0 410.543 4.221 50 0 HIAARM O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccnc3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000102732636 560822612 /nfs/dbraw/zinc/82/26/12/560822612.db2.gz XAMWYDMNVIRRQK-RBZQAINGSA-N -1 0 421.456 4.286 50 0 HIAARM Cc1ccc([C@@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4cc(C)cc(C)c4)cnn32)cc1 ZINC000102820952 560829662 /nfs/dbraw/zinc/82/96/62/560829662.db2.gz RYTQNVJPKIANFD-FQEVSTJZSA-N -1 0 402.454 4.044 50 0 HIAARM Cc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2cccs2)cc1Cl ZINC000102901424 560834919 /nfs/dbraw/zinc/83/49/19/560834919.db2.gz UQMDTHQFKZXEAR-OAHLLOKOSA-N -1 0 414.874 4.142 50 0 HIAARM C[C@H](C(=O)[O-])N(Cc1cccnc1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000380888130 568416933 /nfs/dbraw/zinc/41/69/33/568416933.db2.gz UACCFTHAMPXAIB-MRXNPFEDSA-N -1 0 402.450 4.306 50 0 HIAARM CCOc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cc1OCC ZINC000048304204 568436218 /nfs/dbraw/zinc/43/62/18/568436218.db2.gz KYNBSRRGLJIYCX-UHFFFAOYSA-N -1 0 405.394 4.183 50 0 HIAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1C(=O)Nc1cccc(Cl)c1 ZINC000000627526 568456115 /nfs/dbraw/zinc/45/61/15/568456115.db2.gz NHQAVYIVYSWLTR-JKSUJKDBSA-N -1 0 400.862 4.422 50 0 HIAARM Cc1cccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)c1C ZINC000020532749 568628264 /nfs/dbraw/zinc/62/82/64/568628264.db2.gz VHGXVBNUVKOSAI-UHFFFAOYSA-N -1 0 415.902 4.405 50 0 HIAARM O=C([O-])c1ccc(-n2ncc3c2NC(=O)CS[C@H]3c2ccc(F)cc2F)cc1 ZINC000095479036 568632127 /nfs/dbraw/zinc/63/21/27/568632127.db2.gz IMRUKVYOMGBPEK-KRWDZBQOSA-N -1 0 401.394 4.273 50 0 HIAARM O=C([O-])c1ccc(-n2ncc3c2NC(=O)CS[C@@H]3c2ccc(F)cc2F)cc1 ZINC000095479037 568632165 /nfs/dbraw/zinc/63/21/65/568632165.db2.gz IMRUKVYOMGBPEK-QGZVFWFLSA-N -1 0 401.394 4.273 50 0 HIAARM Cc1cc(NC(=O)NCC(C)C)cc2sc([N-]S(=O)(=O)c3ccccc3)nc21 ZINC000021357867 568688577 /nfs/dbraw/zinc/68/85/77/568688577.db2.gz YVEXYHOJIVZKDS-UHFFFAOYSA-N -1 0 418.544 4.183 50 0 HIAARM CCc1ccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2-c2nnc(C3CCC3)o2)cc1 ZINC000096379692 568741395 /nfs/dbraw/zinc/74/13/95/568741395.db2.gz NYVHCODTHNGTJH-UHFFFAOYSA-N -1 0 400.504 4.312 50 0 HIAARM COc1ccc(C(=O)Nc2cc(C)c([O-])c(S(=O)(=O)c3ccccc3)c2C)cc1 ZINC000000974312 568759374 /nfs/dbraw/zinc/75/93/74/568759374.db2.gz FOFAVRMLUJXBIX-UHFFFAOYSA-N -1 0 411.479 4.103 50 0 HIAARM O=C(NCc1ccccc1)C1CCC(Cn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000002971022 568831958 /nfs/dbraw/zinc/83/19/58/568831958.db2.gz KINDEFSLAYKXAU-UHFFFAOYSA-N -1 0 407.539 4.182 50 0 HIAARM CCCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(Cl)cc1)c2=O ZINC000003043704 568848250 /nfs/dbraw/zinc/84/82/50/568848250.db2.gz RZCSOAVVPSRCIH-UHFFFAOYSA-N -1 0 401.919 4.291 50 0 HIAARM C[C@](CC(=O)Nc1c(-c2ccccc2)nc2sccn21)(C(=O)[O-])c1ccccc1 ZINC000012550508 568853228 /nfs/dbraw/zinc/85/32/28/568853228.db2.gz DUQQDZJVWLSZEC-JOCHJYFZSA-N -1 0 405.479 4.434 50 0 HIAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCC3)ccc2Cl)cc1 ZINC000012605242 568871039 /nfs/dbraw/zinc/87/10/39/568871039.db2.gz MCUNCFWSNWJBND-UHFFFAOYSA-N -1 0 422.934 4.166 50 0 HIAARM COCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000003330132 568881866 /nfs/dbraw/zinc/88/18/66/568881866.db2.gz YIHMETHRSYKQJL-UHFFFAOYSA-N -1 0 409.813 4.185 50 0 HIAARM CCn1c(/C=C/c2ccc(C(=O)[O-])cc2)nc2cc(S(=O)(=O)C(F)(F)F)ccc21 ZINC000012699142 568916843 /nfs/dbraw/zinc/91/68/43/568916843.db2.gz XDZFEBZHDHENPJ-BJMVGYQFSA-N -1 0 424.400 4.218 50 0 HIAARM CCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000007976565 568963071 /nfs/dbraw/zinc/96/30/71/568963071.db2.gz LTZJQFAZQVMCRB-UHFFFAOYSA-N -1 0 401.406 4.498 50 0 HIAARM COC(=O)c1c(=O)c2cc(Cl)ccc2[n-]c1SCC(=O)Nc1ccc(C)cc1 ZINC000015731453 568981866 /nfs/dbraw/zinc/98/18/66/568981866.db2.gz OEDFMRIRCYXKLD-UHFFFAOYSA-N -1 0 416.886 4.420 50 0 HIAARM CN(CCOc1ccc(Cl)cc1)C(=O)COc1cc2ccccc2cc1C(=O)[O-] ZINC000012848667 569010314 /nfs/dbraw/zinc/01/03/14/569010314.db2.gz BLRXANUXKMNYMS-UHFFFAOYSA-N -1 0 413.857 4.108 50 0 HIAARM O=C(Nc1ccccc1F)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000006147017 569014627 /nfs/dbraw/zinc/01/46/27/569014627.db2.gz IKVRNLDPJSDSLY-UHFFFAOYSA-N -1 0 406.385 4.157 50 0 HIAARM CCOc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000006146158 569014700 /nfs/dbraw/zinc/01/47/00/569014700.db2.gz CICQWCHDWPBMPW-UHFFFAOYSA-N -1 0 414.458 4.278 50 0 HIAARM CC[C@@H](C)[C@@H](NC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000016043067 569028230 /nfs/dbraw/zinc/02/82/30/569028230.db2.gz XRGJSCAGGOPVAT-NSPYISDASA-N -1 0 413.470 4.013 50 0 HIAARM COc1cccc(C(=O)NCc2n[n-]c(=S)n2-c2ccc(Cl)c(Cl)c2)c1 ZINC000006235335 569033925 /nfs/dbraw/zinc/03/39/25/569033925.db2.gz XGGLRDZGLMBVPN-UHFFFAOYSA-N -1 0 409.298 4.175 50 0 HIAARM O=C(Cn1ccc2cc(OCc3ccccc3)ccc21)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000238950192 569053913 /nfs/dbraw/zinc/05/39/13/569053913.db2.gz WXYXOZAWWOTCJF-KESTWPANSA-N -1 0 420.509 4.228 50 0 HIAARM O=C(NCc1cccc(Cl)c1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000006471578 569058072 /nfs/dbraw/zinc/05/80/72/569058072.db2.gz KIPYRGJCVWPQGS-UHFFFAOYSA-N -1 0 406.916 4.132 50 0 HIAARM CCOC(=O)c1oc2cc([O-])c(CC)cc2c(=O)c1-c1ccc2c(c1)OCCCO2 ZINC000005444884 569060928 /nfs/dbraw/zinc/06/09/28/569060928.db2.gz ODBSJQGEJKLCOI-UHFFFAOYSA-N -1 0 410.422 4.066 50 0 biogenic HIAARM Cc1ccc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC[C@@H](C)C2)c1 ZINC000064580631 569068534 /nfs/dbraw/zinc/06/85/34/569068534.db2.gz XJCMKPSFIJGYOS-OAHLLOKOSA-N -1 0 402.516 4.039 50 0 HIAARM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(CC(=O)N3CCCCC3)s2)cc1 ZINC000064919792 569120924 /nfs/dbraw/zinc/12/09/24/569120924.db2.gz QSSHUZANEPUYNL-UHFFFAOYSA-N -1 0 406.573 4.227 50 0 HIAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)[O-])occ3-c1ccc2c(c1)OCCCO2 ZINC000036370013 569153808 /nfs/dbraw/zinc/15/38/08/569153808.db2.gz KFPAJIRXKXZJBF-UHFFFAOYSA-N -1 0 406.390 4.303 50 0 HIAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2onc(C)c2C)ccc1OC ZINC000006887732 569171301 /nfs/dbraw/zinc/17/13/01/569171301.db2.gz MHOWQRDHDTTXAJ-UHFFFAOYSA-N -1 0 402.472 4.085 50 0 HIAARM C[C@@H]1CCc2c(sc3[nH]c(=O)c(C(=O)Nc4ccc(F)cc4Cl)c([O-])c23)C1 ZINC000065150429 569184847 /nfs/dbraw/zinc/18/48/47/569184847.db2.gz PBPVVAIUHSDFJV-MRVPVSSYSA-N -1 0 406.866 4.465 50 0 HIAARM CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c(C)n2CC)o1 ZINC000065186600 569192220 /nfs/dbraw/zinc/19/22/20/569192220.db2.gz BUNXUNQCEZLWHO-UHFFFAOYSA-N -1 0 402.520 4.155 50 0 HIAARM CCc1noc(-c2c(C)n(C)c(C)c2S(=O)(=O)[N-]c2ccc(Cl)cc2C)n1 ZINC000065194555 569192631 /nfs/dbraw/zinc/19/26/31/569192631.db2.gz IYKDFCMYZHPOSQ-UHFFFAOYSA-N -1 0 408.911 4.017 50 0 HIAARM CC(C)(C(=O)Nc1ccc([N-]S(=O)(=O)C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000170606055 569244442 /nfs/dbraw/zinc/24/44/42/569244442.db2.gz SWMDVLNPVQPZSX-UHFFFAOYSA-N -1 0 404.385 4.004 50 0 HIAARM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2cccs2)CC3)s1 ZINC000013696230 569257211 /nfs/dbraw/zinc/25/72/11/569257211.db2.gz NGTWVLNQZLAXFG-UHFFFAOYSA-N -1 0 418.565 4.376 50 0 HIAARM O=C([O-])CCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccc(Br)c1 ZINC000089774399 569263762 /nfs/dbraw/zinc/26/37/62/569263762.db2.gz UUTZWJXMTSPBSC-CQSZACIVSA-N -1 0 407.289 4.053 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)NC3CCCCCC3)cs2)cc1 ZINC000016848653 569265387 /nfs/dbraw/zinc/26/53/87/569265387.db2.gz PERKZAFIQNCXFA-UHFFFAOYSA-N -1 0 421.588 4.024 50 0 HIAARM O=C(CCCn1c(=O)c2ccccc2[n-]c1=S)N1CC=C(c2ccccc2)CC1 ZINC000002848343 569278139 /nfs/dbraw/zinc/27/81/39/569278139.db2.gz KMWHYTFAIGAVFY-UHFFFAOYSA-N -1 0 405.523 4.155 50 0 HIAARM O=C(NCCc1ccccc1)C1CCC(Cn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000004135711 569279595 /nfs/dbraw/zinc/27/95/95/569279595.db2.gz IVGMQDLHBUTPIM-UHFFFAOYSA-N -1 0 421.566 4.224 50 0 HIAARM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)c(Cl)c2)c(Cl)c1 ZINC000170673369 569297903 /nfs/dbraw/zinc/29/79/03/569297903.db2.gz OMYIRQCAEGVIOZ-UHFFFAOYSA-N -1 0 415.298 4.093 50 0 HIAARM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1 ZINC000007708659 569301553 /nfs/dbraw/zinc/30/15/53/569301553.db2.gz JAPSIZYRRYVNPG-UHFFFAOYSA-N -1 0 408.479 4.407 50 0 HIAARM Cc1ccc(C(=O)[C@H](c2ccc(C)cc2)n2nc(C(=O)[O-])c3ccccc3c2=O)cc1 ZINC000007784005 569310168 /nfs/dbraw/zinc/31/01/68/569310168.db2.gz VTJXJUCTMMPHSG-QFIPXVFZSA-N -1 0 412.445 4.184 50 0 HIAARM Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000253412431 569389036 /nfs/dbraw/zinc/38/90/36/569389036.db2.gz QZNGAWBKCBVSNJ-UHFFFAOYSA-N -1 0 403.910 4.122 50 0 HIAARM CCOc1ccc(-c2[nH]nc3nc(-c4ccc(C(=O)OC)cc4)cc(C(=O)[O-])c32)cc1 ZINC000013363478 569411963 /nfs/dbraw/zinc/41/19/63/569411963.db2.gz DWXVACTYGUGXQJ-UHFFFAOYSA-N -1 0 417.421 4.175 50 0 HIAARM COc1ccccc1S(=O)(=O)N(CCC1=CCCCC1)c1ccccc1C(=O)[O-] ZINC000328594941 569415914 /nfs/dbraw/zinc/41/59/14/569415914.db2.gz GKONAINHQBZHKO-UHFFFAOYSA-N -1 0 415.511 4.479 50 0 HIAARM Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4C)[C@H](c4cccs4)[C@H]3C2=O)c1 ZINC000238901378 571046551 /nfs/dbraw/zinc/04/65/51/571046551.db2.gz LTLGWXSSEIRPKA-NJDAHSKKSA-N -1 0 404.491 4.416 50 0 HIAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)c1 ZINC000008600815 571089900 /nfs/dbraw/zinc/08/99/00/571089900.db2.gz UBYZVHULCPQFSV-UHFFFAOYSA-N -1 0 402.472 4.248 50 0 HIAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2CCC(C)C ZINC000008840937 571124123 /nfs/dbraw/zinc/12/41/23/571124123.db2.gz DMLFTUSHJQTLBP-UHFFFAOYSA-N -1 0 416.543 4.130 50 0 HIAARM O=C(NC12CC3CC(CC(C3)C1)C2)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000040142801 571193559 /nfs/dbraw/zinc/19/35/59/571193559.db2.gz UPBWYHIAEZMOTP-UHFFFAOYSA-N -1 0 416.568 4.248 50 0 HIAARM CC(C)CN1c2ccc([N-]S(=O)(=O)c3ccccc3F)cc2OCC(C)(C)C1=O ZINC000009168067 571233222 /nfs/dbraw/zinc/23/32/22/571233222.db2.gz IVCXQGULQBMPND-UHFFFAOYSA-N -1 0 420.506 4.034 50 0 HIAARM COC(=O)c1c(=O)c2ccc(Cl)cc2[n-]c1SCC(=O)Nc1ccc(C)cc1 ZINC000009300209 571246026 /nfs/dbraw/zinc/24/60/26/571246026.db2.gz WBONEVXORMSGON-UHFFFAOYSA-N -1 0 416.886 4.007 50 0 HIAARM O=C([O-])c1ccc(-c2ccc(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4)C3=O)o2)cc1 ZINC000009332106 571248870 /nfs/dbraw/zinc/24/88/70/571248870.db2.gz INDRGGHPWDPGTQ-WQRHYEAKSA-N -1 0 422.824 4.391 50 0 HIAARM CCOC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1ccc(OCC)cc1 ZINC000009646505 571276449 /nfs/dbraw/zinc/27/64/49/571276449.db2.gz GTMYAMWVISZXJE-UHFFFAOYSA-N -1 0 423.487 4.417 50 0 HIAARM CCc1ccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCCCC2)cc1 ZINC000009685295 571279813 /nfs/dbraw/zinc/27/98/13/571279813.db2.gz AHEBORQRGXRCEN-UHFFFAOYSA-N -1 0 417.575 4.021 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3cccc(C)c3C)cs2)cc1 ZINC000009828592 571286922 /nfs/dbraw/zinc/28/69/22/571286922.db2.gz MVEIIYRZMZDMRH-UHFFFAOYSA-N -1 0 415.540 4.050 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3cc(C)cc(C)c3)cs2)cc1 ZINC000009828593 571286988 /nfs/dbraw/zinc/28/69/88/571286988.db2.gz DNCYBPRULPQVIN-UHFFFAOYSA-N -1 0 415.540 4.050 50 0 HIAARM COc1ccc(-c2cc([N-]S(=O)(=O)c3c(C)n[nH]c3C)ccc2OC(F)F)cc1 ZINC000010515817 571304174 /nfs/dbraw/zinc/30/41/74/571304174.db2.gz RNNSFACHCZLICQ-UHFFFAOYSA-N -1 0 423.441 4.104 50 0 HIAARM CCCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(C(=O)OC)cc2)c1=O ZINC000005734994 845139112 /nfs/dbraw/zinc/13/91/12/845139112.db2.gz QBMNEWKOGFTGDT-UHFFFAOYSA-N -1 0 422.481 4.326 50 0 HIAARM O=C([O-])c1ccc(C=NNC(=O)c2cc(-c3cccs3)nc3ccccc32)cc1 ZINC000012733209 845886661 /nfs/dbraw/zinc/88/66/61/845886661.db2.gz QSPHYIYVSSQURU-UHFFFAOYSA-N -1 0 401.447 4.425 50 0 HIAARM CCOc1cccc(/C=C2/SC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c1OC ZINC000089269971 852545062 /nfs/dbraw/zinc/54/50/62/852545062.db2.gz SAPWJBMSZJGBEG-LFIBNONCSA-N -1 0 415.492 4.198 50 0 HIAARM O=C([O-])c1nc(Cl)c(Cl)c(NN=c2c(=O)c3cccc4cccc2c34)c1Cl ZINC000254700134 854213421 /nfs/dbraw/zinc/21/34/21/854213421.db2.gz FDNONIHBBSYWMU-UHFFFAOYSA-N -1 0 420.639 4.210 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCCCC4)nn3)c2)s1 ZINC000008609839 132331607 /nfs/dbraw/zinc/33/16/07/132331607.db2.gz WCIOXWVVZAUREW-UHFFFAOYSA-N -1 0 414.556 4.305 50 0 aggregator HIAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000032889589 521690224 /nfs/dbraw/zinc/69/02/24/521690224.db2.gz MQMULAOLYUOHFC-SNVBAGLBSA-N -1 0 417.314 4.375 50 0 HIAARM COc1cc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4)c32)cc(OC)c1O ZINC000040310177 522960231 /nfs/dbraw/zinc/96/02/31/522960231.db2.gz MMXUPCUNBNZGJX-CQSZACIVSA-N -1 0 408.410 4.022 50 0 HIAARM COc1ccc(C)cc1NC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000032795541 523828447 /nfs/dbraw/zinc/82/84/47/523828447.db2.gz KVVKFYGMHFVUHT-UHFFFAOYSA-N -1 0 416.524 4.047 50 0 HIAARM Cc1c(-c2cccc(Cl)c2)nn2c1NC(=O)C[C@H]2C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000032096197 525508812 /nfs/dbraw/zinc/50/88/12/525508812.db2.gz XJRLNBVWRNAHPC-INIZCTEOSA-N -1 0 424.844 4.382 50 0 HIAARM O=C([O-])c1cn(-c2cccc(C(F)(F)F)c2)c2c1NC(=O)C[C@H]2c1cccc(O)c1 ZINC000066087907 526401851 /nfs/dbraw/zinc/40/18/51/526401851.db2.gz NFLYGUKXVUWFFX-HNNXBMFYSA-N -1 0 416.355 4.374 50 0 HIAARM CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@H]12 ZINC000000716235 557067864 /nfs/dbraw/zinc/06/78/64/557067864.db2.gz BRUIHGLXIKKXJN-CFDLBASYSA-N -1 0 423.468 4.130 50 0 HIAARM Cc1ccccc1NC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCCCC2 ZINC000000722391 557071259 /nfs/dbraw/zinc/07/12/59/557071259.db2.gz QKQJKRSKGNIZGI-UHFFFAOYSA-N -1 0 400.500 4.381 50 0 HIAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000000790824 557081256 /nfs/dbraw/zinc/08/12/56/557081256.db2.gz IEHKHUWGDTVMNI-UHFFFAOYSA-N -1 0 422.293 4.442 50 0 HIAARM Cc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000000888001 557111645 /nfs/dbraw/zinc/11/16/45/557111645.db2.gz VXCKXCRJAFXKFZ-UHFFFAOYSA-N -1 0 401.875 4.097 50 0 HIAARM O=C([N-]S(=O)(=O)c1cnccc1Sc1ccccc1Cl)Nc1ccccc1 ZINC000000987825 557133101 /nfs/dbraw/zinc/13/31/01/557133101.db2.gz UVSMUOQASPVCJL-UHFFFAOYSA-N -1 0 419.915 4.397 50 0 HIAARM COc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000001079083 557175420 /nfs/dbraw/zinc/17/54/20/557175420.db2.gz GGKRMZOAMDQKPA-UHFFFAOYSA-N -1 0 416.886 4.402 50 0 HIAARM CCOc1ccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2Cl)cc1Cl ZINC000001130094 557197611 /nfs/dbraw/zinc/19/76/11/557197611.db2.gz YBERZCWITKZEPT-UHFFFAOYSA-N -1 0 413.282 4.217 50 0 HIAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000001167248 557221789 /nfs/dbraw/zinc/22/17/89/557221789.db2.gz BDTIHUWSYZVQEU-UHFFFAOYSA-N -1 0 411.483 4.448 50 0 HIAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1cccc(-c3nc4ccccc4s3)c1)C2=O ZINC000001174931 557226959 /nfs/dbraw/zinc/22/69/59/557226959.db2.gz LKMSCTKTMKDNEW-UHFFFAOYSA-N -1 0 400.415 4.462 50 0 HIAARM COc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000002415032 557345820 /nfs/dbraw/zinc/34/58/20/557345820.db2.gz CJYGKTNOCDACEF-UHFFFAOYSA-N -1 0 424.457 4.322 50 0 HIAARM O=C([O-])[C@H](Cc1cc(F)cc(F)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002569516 557357113 /nfs/dbraw/zinc/35/71/13/557357113.db2.gz UYEQBZISDRNPFC-QFIPXVFZSA-N -1 0 423.415 4.499 50 0 HIAARM CCOc1ccccc1C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000002850328 557404093 /nfs/dbraw/zinc/40/40/93/557404093.db2.gz UPCOHQJWWSYIKJ-UHFFFAOYSA-N -1 0 404.422 4.288 50 0 HIAARM CCOC(=O)NC([N-]c1nnc(-c2ccccc2)s1)(C(F)(F)F)C(F)(F)F ZINC000003183407 557453939 /nfs/dbraw/zinc/45/39/39/557453939.db2.gz FJCCBIBCGUHSAD-UHFFFAOYSA-N -1 0 414.331 4.184 50 0 HIAARM O=C([O-])C[C@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1Cl ZINC000003325322 557474310 /nfs/dbraw/zinc/47/43/10/557474310.db2.gz ZHWTYYRTLPAHBM-AWEZNQCLSA-N -1 0 408.690 4.141 50 0 HIAARM CCCC[C@H](CC)COC(=O)C[C@@H](C(=O)OC[C@@H](CC)CCCC)S(=O)(=O)[O-] ZINC000004097299 557513256 /nfs/dbraw/zinc/51/32/56/557513256.db2.gz HNSDLXPSAYFUHK-BZSNNMDCSA-N -1 0 422.584 4.152 50 0 endogenous,world HIAARM CCOc1ccc2nc([N-]c3ncc4c(n3)C[C@@H](c3ccco3)CC4=O)nc(C)c2c1 ZINC000004777117 557597187 /nfs/dbraw/zinc/59/71/87/557597187.db2.gz FRZLTHUBJGXASO-CQSZACIVSA-N -1 0 415.453 4.376 50 0 HIAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccnc3)ccc2Cl)cc1 ZINC000004809481 557599985 /nfs/dbraw/zinc/59/99/85/557599985.db2.gz SCLGYFMTSLESOA-UHFFFAOYSA-N -1 0 401.875 4.097 50 0 HIAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000004904636 557611785 /nfs/dbraw/zinc/61/17/85/557611785.db2.gz QNCMVEACMWAXDJ-CHWSQXEVSA-N -1 0 407.289 4.178 50 0 HIAARM COC(=O)c1c(-c2cccc(C)c2)csc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000002764294 557756405 /nfs/dbraw/zinc/75/64/05/557756405.db2.gz KRQONZAGIJSUPH-GJZGRUSLSA-N -1 0 401.484 4.340 50 0 HIAARM O=S(=O)([N-]c1ccn(Cc2c(F)cccc2Cl)n1)c1ccc(Cl)cc1 ZINC000002767384 557759943 /nfs/dbraw/zinc/75/99/43/557759943.db2.gz FDABDHLXBHWTLN-UHFFFAOYSA-N -1 0 400.262 4.178 50 0 HIAARM COc1ccc(NC(=O)CCCn2c(=O)c3ccccc3[n-]c2=S)cc1Cl ZINC000002971817 557775400 /nfs/dbraw/zinc/77/54/00/557775400.db2.gz FZPKUHJRHIXJGB-UHFFFAOYSA-N -1 0 403.891 4.140 50 0 HIAARM COc1ccc(C(=O)NC([N-]c2ncc(C)s2)(C(F)(F)F)C(F)(F)F)cc1 ZINC000008445280 557790160 /nfs/dbraw/zinc/79/01/60/557790160.db2.gz VORLFAJKHNXGPA-UHFFFAOYSA-N -1 0 413.343 4.123 50 0 HIAARM COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000008444997 557790194 /nfs/dbraw/zinc/79/01/94/557790194.db2.gz CPOHMIYNVZTGNN-KGLIPLIRSA-N -1 0 419.886 4.461 50 0 HIAARM Cc1c(Cc2ccccc2)c(=O)oc2c3c(cc(OCC(=O)[O-])c12)OC(C)(C)CC3 ZINC000008879322 557813025 /nfs/dbraw/zinc/81/30/25/557813025.db2.gz WMISHHFZYXLWNF-UHFFFAOYSA-N -1 0 408.450 4.259 50 0 HIAARM COc1cc(C)c([N-]S(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)cc1C(C)C ZINC000009187825 557825663 /nfs/dbraw/zinc/82/56/63/557825663.db2.gz QCGRMBYZUINUOZ-UHFFFAOYSA-N -1 0 424.906 4.026 50 0 HIAARM CCc1nc2sc([C@@H](c3cccc(F)c3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000022855057 557842096 /nfs/dbraw/zinc/84/20/96/557842096.db2.gz HABSHUZOUWTGCD-LJQANCHMSA-N -1 0 408.502 4.346 50 0 HIAARM Cc1cccc(-n2c(=S)[n-]c(=O)c3c2NCN(CCCc2ccccc2)C3)c1C ZINC000019939142 558313178 /nfs/dbraw/zinc/31/31/78/558313178.db2.gz FHOUXSJBHQRAEV-UHFFFAOYSA-N -1 0 406.555 4.330 50 0 HIAARM COc1ccc(-c2cc(C(F)F)c3c(n2)sc2c3[nH]c(=O)cc2[O-])cc1OC ZINC000012371361 558389559 /nfs/dbraw/zinc/38/95/59/558389559.db2.gz YGFYWZMNZRMXTO-UHFFFAOYSA-N -1 0 404.394 4.465 50 0 HIAARM Cc1c2c(cc(=O)n1Cc1ccccc1Cl)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000012406541 558398261 /nfs/dbraw/zinc/39/82/61/558398261.db2.gz QQZTXTBSLPRXFJ-UHFFFAOYSA-N -1 0 422.897 4.100 50 0 HIAARM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1)c1ccco1 ZINC000022411538 558488139 /nfs/dbraw/zinc/48/81/39/558488139.db2.gz IPMCJBMIEAAHPQ-UHFFFAOYSA-N -1 0 410.373 4.352 50 0 HIAARM COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN32)c(C(=O)[O-])c1OC ZINC000013552646 558539591 /nfs/dbraw/zinc/53/95/91/558539591.db2.gz XKMJHIOICMXXFD-ZHRRBRCNSA-N -1 0 420.421 4.237 50 0 HIAARM CCOc1cc(/C=C2\NC(=O)[N-]C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000013899168 558601007 /nfs/dbraw/zinc/60/10/07/558601007.db2.gz PZWFCIYBKKSYKL-CHHVJCJISA-N -1 0 407.253 4.151 50 0 HIAARM CCOC(=O)c1c(C2CC2)csc1NC(=O)C[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000025208156 558634596 /nfs/dbraw/zinc/63/45/96/558634596.db2.gz CEJKHZLIZCAXAS-AWEZNQCLSA-N -1 0 405.447 4.138 50 0 HIAARM COc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)cc1O ZINC000015082323 558719333 /nfs/dbraw/zinc/71/93/33/558719333.db2.gz MPDSYEXKYYHUAG-ZDUSSCGKSA-N -1 0 413.426 4.441 50 0 HIAARM CN(Cc1cccs1)c1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1 ZINC000015168292 558726302 /nfs/dbraw/zinc/72/63/02/558726302.db2.gz RBBKTJMDLYCSGN-UHFFFAOYSA-N -1 0 410.524 4.129 50 0 HIAARM CC1CCC(NC(=O)C2(c3ccc([N-]S(=O)(=O)c4cccs4)cc3)CC2)CC1 ZINC000033115467 558761757 /nfs/dbraw/zinc/76/17/57/558761757.db2.gz SPHNREDLAIEEJK-UHFFFAOYSA-N -1 0 418.584 4.275 50 0 HIAARM O=C([O-])[C@H]1C2CCC(CC2)[C@H]1C(=O)Nc1cnn(Cc2cccc3ccccc32)c1 ZINC000017082669 558814962 /nfs/dbraw/zinc/81/49/62/558814962.db2.gz QYICEYDXNCJDNP-KKXVOBOWSA-N -1 0 403.482 4.160 50 0 HIAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1scc(-c2ccccc2)c1C(=O)NC1CC1 ZINC000017089205 558817717 /nfs/dbraw/zinc/81/77/17/558817717.db2.gz PZDWCWJJUCQFPM-JKSUJKDBSA-N -1 0 412.511 4.137 50 0 HIAARM CC(=O)c1cccc(NC(=O)c2ccsc2NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000017089850 558818416 /nfs/dbraw/zinc/81/84/16/558818416.db2.gz KPKVUUNAYPISBG-HOTGVXAUSA-N -1 0 414.483 4.033 50 0 HIAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(F)cc1)c1ccc(F)cc1 ZINC000017206174 558825639 /nfs/dbraw/zinc/82/56/39/558825639.db2.gz QIUMCYXPYQUSBH-UHFFFAOYSA-N -1 0 412.421 4.452 50 0 HIAARM Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCC[C@@H](C)C3)cc2C(=O)[O-])c1 ZINC000033007235 558827841 /nfs/dbraw/zinc/82/78/41/558827841.db2.gz OMOQXCASPCRFLT-OAHLLOKOSA-N -1 0 402.516 4.039 50 0 HIAARM CCC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2C)s1 ZINC000033007712 558828555 /nfs/dbraw/zinc/82/85/55/558828555.db2.gz OIXHKZVWZYXNRK-UHFFFAOYSA-N -1 0 415.949 4.469 50 0 HIAARM Cc1ccc(CC(=O)Nc2ccc3nc(N4CCCCC4)cc(C(=O)[O-])c3c2)cc1 ZINC000033010322 558829590 /nfs/dbraw/zinc/82/95/90/558829590.db2.gz XPKGHLBTUSSBLO-UHFFFAOYSA-N -1 0 403.482 4.413 50 0 HIAARM O=C([O-])c1cc(NC(=O)c2cccs2)ccc1N1CCN(c2ccccc2)CC1 ZINC000033078560 558868156 /nfs/dbraw/zinc/86/81/56/558868156.db2.gz ZGCKBYITSVFAIV-UHFFFAOYSA-N -1 0 407.495 4.025 50 0 HIAARM O=C([O-])[C@@]12C[C@@H](Nc3n[nH]c(-c4ccc(Br)cc4)c31)c1ccccc1O2 ZINC000072332278 558892570 /nfs/dbraw/zinc/89/25/70/558892570.db2.gz BQGDUXPDZSKNRR-BFUOFWGJSA-N -1 0 412.243 4.068 50 0 HIAARM O=C1OCCN1c1ccccc1[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000058160231 558904890 /nfs/dbraw/zinc/90/48/90/558904890.db2.gz QZMHNZRXRQWUDZ-UHFFFAOYSA-N -1 0 400.500 4.492 50 0 HIAARM O=C([O-])[C@H](Cc1cccc(F)c1F)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000091351881 558985404 /nfs/dbraw/zinc/98/54/04/558985404.db2.gz MNEDJBJASVXQIC-NRFANRHFSA-N -1 0 423.415 4.499 50 0 HIAARM Cc1nc2sc([C@H](c3ccc(Br)cc3)N3CCC[C@H](C)C3)c([O-])n2n1 ZINC000023157003 559022022 /nfs/dbraw/zinc/02/20/22/559022022.db2.gz LARRQCYFTYEJDE-NHYWBVRUSA-N -1 0 421.364 4.389 50 0 HIAARM Cc1ncc(C(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)c(-c2ccccc2)n1 ZINC000095375034 559080372 /nfs/dbraw/zinc/08/03/72/559080372.db2.gz FJQQZHFMONYJCP-HXUWFJFHSA-N -1 0 401.466 4.170 50 0 HIAARM Cc1c(Br)c(=O)oc2c(Br)c([O-])c(Br)cc12 ZINC000028632224 559111741 /nfs/dbraw/zinc/11/17/41/559111741.db2.gz KDNRKZZABHVBHS-UHFFFAOYSA-N -1 0 412.859 4.095 50 0 HIAARM Nc1c(Cl)cc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cc1Cl ZINC000023395117 559173769 /nfs/dbraw/zinc/17/37/69/559173769.db2.gz MVJCEBDLJMXKDB-UHFFFAOYSA-N -1 0 401.193 4.275 50 0 HIAARM COc1ccc(-c2nc3c(nc(-c4ccc(OC)cc4OC)cc3C(=O)[O-])[nH]2)cc1 ZINC000011694745 559188362 /nfs/dbraw/zinc/18/83/62/559188362.db2.gz UKQFWUFUPFPXER-UHFFFAOYSA-N -1 0 405.410 4.016 50 0 HIAARM CCOC([O-])=NC(=O)c1c(C)c(C)sc1NC(=O)c1ccc2c(c1)CCCC2 ZINC000005145150 559252488 /nfs/dbraw/zinc/25/24/88/559252488.db2.gz RVCHPDXCAMQZMT-UHFFFAOYSA-N -1 0 400.500 4.382 50 0 HIAARM CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000002830460 560732383 /nfs/dbraw/zinc/73/23/83/560732383.db2.gz ZXCRKVWWBSYJGB-NSHDSACASA-N -1 0 406.891 4.342 50 0 HIAARM COc1ccc(-c2nnc(NC(=O)c3c(C)onc3-c3ccccc3)s2)cc1OC ZINC000018193962 560782261 /nfs/dbraw/zinc/78/22/61/560782261.db2.gz UMIMTEVWQNVRRU-UHFFFAOYSA-N -1 0 422.466 4.438 50 0 HIAARM CCc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@H]3c2ccc(C(=O)[O-])cc2)cc1 ZINC000101167972 560787515 /nfs/dbraw/zinc/78/75/15/560787515.db2.gz INAQUJBTVOCMOL-JOCHJYFZSA-N -1 0 424.460 4.205 50 0 HIAARM CCc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@@H]3c2ccc(C(=O)[O-])cc2)cc1 ZINC000101167975 560787555 /nfs/dbraw/zinc/78/75/55/560787555.db2.gz INAQUJBTVOCMOL-QFIPXVFZSA-N -1 0 424.460 4.205 50 0 HIAARM COc1ccc(NC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(C)cc5)nc-4c3c2)cc1 ZINC000101282062 560790380 /nfs/dbraw/zinc/79/03/80/560790380.db2.gz UYJZHJAVEPQQJB-UHFFFAOYSA-N -1 0 424.460 4.388 50 0 HIAARM O=C(Nc1cccc(Cl)c1)c1c([O-])c2cccnc2n(-c2ccc(F)cc2)c1=O ZINC000101723069 560799160 /nfs/dbraw/zinc/79/91/60/560799160.db2.gz GYKGUZDUXZVRQK-UHFFFAOYSA-N -1 0 409.804 4.136 50 0 HIAARM Cn1c(=O)c(C2=Nc3ccccc3S[C@H](c3ccc(O)cc3)C2)c([O-])[nH]c1=S ZINC000101767053 560799888 /nfs/dbraw/zinc/79/98/88/560799888.db2.gz BUQQTQJLYNAOFN-INIZCTEOSA-N -1 0 411.508 4.212 50 0 HIAARM Cc1ccc([C@@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccc(Cl)cc4)cnn32)cc1 ZINC000101836420 560803709 /nfs/dbraw/zinc/80/37/09/560803709.db2.gz RJNGLHVKEYCTJB-SFHVURJKSA-N -1 0 408.845 4.081 50 0 HIAARM COc1cc(C)c([N-]S(=O)(=O)c2ccc(Br)cc2Cl)cc1OC ZINC000016095722 560858340 /nfs/dbraw/zinc/85/83/40/560858340.db2.gz BGOGMJHXLQRZFM-UHFFFAOYSA-N -1 0 420.712 4.229 50 0 HIAARM COCCCn1c(=O)c2ccc(C(=O)Nc3ccc(SC)cc3)cc2[n-]c1=S ZINC000012039833 560887682 /nfs/dbraw/zinc/88/76/82/560887682.db2.gz SJRDENNDLPJQLU-UHFFFAOYSA-N -1 0 415.540 4.070 50 0 HIAARM COc1ccc(-n2nc(C)c3c2NC(=O)CC3=C([O-])c2cc3ccccc3o2)cc1 ZINC000046057852 568426320 /nfs/dbraw/zinc/42/63/20/568426320.db2.gz PQQLJBSXWFNFIR-QGZVFWFLSA-N -1 0 401.422 4.244 50 0 HIAARM Cc1cc(C)nc([N-]c2nc(CC(=O)Nc3ccc(OC(F)(F)F)cc3)cs2)n1 ZINC000049029482 568445609 /nfs/dbraw/zinc/44/56/09/568445609.db2.gz ZSULUCOQXCFEOK-UHFFFAOYSA-N -1 0 423.420 4.373 50 0 HIAARM COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4Cl)c32)cc1O ZINC000049547967 568451565 /nfs/dbraw/zinc/45/15/65/568451565.db2.gz ARZHRZLHUSZBBZ-LBPRGKRZSA-N -1 0 412.829 4.017 50 0 HIAARM O=S(=O)([N-]c1nc2ccccc2nc1NCCc1ccccc1)c1ccccc1 ZINC000000754366 568471953 /nfs/dbraw/zinc/47/19/53/568471953.db2.gz IXEDKZAOZAIGQQ-UHFFFAOYSA-N -1 0 404.495 4.085 50 0 HIAARM Cc1ccc2cc([C@@H]3CC(c4ccco4)=NN3C(=O)CCC(=O)[O-])c(Cl)nc2c1 ZINC000000798794 568483090 /nfs/dbraw/zinc/48/30/90/568483090.db2.gz VNXOUPCRZLYZDK-KRWDZBQOSA-N -1 0 411.845 4.332 50 0 HIAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)CC)ccc2Cl)cc1 ZINC000022618649 568495675 /nfs/dbraw/zinc/49/56/75/568495675.db2.gz BRFCQQFBZFQPDG-ZDUSSCGKSA-N -1 0 410.923 4.068 50 0 HIAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000020215849 568594628 /nfs/dbraw/zinc/59/46/28/568594628.db2.gz VDKWONQTOSNXIY-UHFFFAOYSA-N -1 0 419.890 4.306 50 0 HIAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)cc1Cl ZINC000021111053 568668256 /nfs/dbraw/zinc/66/82/56/568668256.db2.gz VKZKEIGEAKCPBW-UHFFFAOYSA-N -1 0 408.863 4.121 50 0 HIAARM COC(=O)C[C@@H](c1ccc(-c2cccc(C(=O)[O-])c2)o1)c1c2[nH]snc-2ccc1=O ZINC000096224113 568706497 /nfs/dbraw/zinc/70/64/97/568706497.db2.gz AMCHHTSZFRLOPP-ZDUSSCGKSA-N -1 0 424.434 4.050 50 0 HIAARM CCOc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3cccs3)[C@@H]2C1=O ZINC000229979932 568716366 /nfs/dbraw/zinc/71/63/66/568716366.db2.gz PDRWURHQLPIHQI-PWRODBHTSA-N -1 0 420.490 4.198 50 0 HIAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(F)cc2C)c1-c1nnc(C2CCC2)o1 ZINC000096379717 568741362 /nfs/dbraw/zinc/74/13/62/568741362.db2.gz KLZATGOLFQIUOE-UHFFFAOYSA-N -1 0 404.467 4.197 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)Nc3ccc(Cl)cc3)c2)c(C)c1 ZINC000021931887 568761738 /nfs/dbraw/zinc/76/17/38/568761738.db2.gz PVRQCCAXRSMFMY-UHFFFAOYSA-N -1 0 415.902 4.405 50 0 HIAARM O=C([O-])c1cccc(NC(=O)/C(=C/c2cccnc2Cl)C(=O)Nc2ccccc2)c1 ZINC000215738079 568796094 /nfs/dbraw/zinc/79/60/94/568796094.db2.gz DGYJEZGFCYYRCV-QGOAFFKASA-N -1 0 421.840 4.094 50 0 HIAARM O=C([O-])CCC(=O)N1N=C(c2cccs2)C[C@H]1c1cc2ccccc2nc1Cl ZINC000005904452 568829179 /nfs/dbraw/zinc/82/91/79/568829179.db2.gz RTBLURVBTIUEJX-INIZCTEOSA-N -1 0 413.886 4.492 50 0 HIAARM CCOC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CC[C@@H](c1ccccc1)C2 ZINC000005953131 568832203 /nfs/dbraw/zinc/83/22/03/568832203.db2.gz QQOPOBWYRMYYDA-OAHLLOKOSA-N -1 0 415.511 4.391 50 0 HIAARM CC[C@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(Cl)cc1)c2=O ZINC000003043707 568848191 /nfs/dbraw/zinc/84/81/91/568848191.db2.gz DTMRPQDNKVPAON-LBPRGKRZSA-N -1 0 401.919 4.289 50 0 HIAARM O=C(c1ccccc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl)N1CCCCC1 ZINC000012548397 568851715 /nfs/dbraw/zinc/85/17/15/568851715.db2.gz MHOUFCGOIUWPCD-UHFFFAOYSA-N -1 0 419.355 4.482 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000003263167 568869441 /nfs/dbraw/zinc/86/94/41/568869441.db2.gz WNVGBXNNHUIDFS-UHFFFAOYSA-N -1 0 410.495 4.365 50 0 HIAARM COc1cc([C@@H]2CC(=O)Oc3ccc(C(=O)c4ccc(Cl)cc4)c([O-])c32)ccc1O ZINC000263586510 568878925 /nfs/dbraw/zinc/87/89/25/568878925.db2.gz VDCSDYODFNAVQD-INIZCTEOSA-N -1 0 424.836 4.432 50 0 HIAARM CC(=O)c1cc2c(cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)OCO2 ZINC000003356535 568886951 /nfs/dbraw/zinc/88/69/51/568886951.db2.gz LUPAKGIKBFEANJ-UHFFFAOYSA-N -1 0 421.780 4.091 50 0 HIAARM COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000003368635 568889500 /nfs/dbraw/zinc/88/95/00/568889500.db2.gz LWESRZKBTNGDNN-UHFFFAOYSA-N -1 0 422.812 4.127 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC2CCCCCC2)ccc1C ZINC000003569888 568916334 /nfs/dbraw/zinc/91/63/34/568916334.db2.gz PMGDGTPHLJRHTK-UHFFFAOYSA-N -1 0 416.543 4.257 50 0 HIAARM O=C1OCCN1c1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000031720084 568929600 /nfs/dbraw/zinc/92/96/00/568929600.db2.gz RMGMRICUPSARGX-UHFFFAOYSA-N -1 0 420.796 4.116 50 0 HIAARM COC(=O)c1sccc1S(=O)(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000012746516 568932646 /nfs/dbraw/zinc/93/26/46/568932646.db2.gz UBKASJQNFDDJGL-AWEZNQCLSA-N -1 0 401.509 4.241 50 0 HIAARM Cc1cc(S(=O)(=O)N2CCSc3ccc(C(F)(F)F)cc32)sc1C(=O)[O-] ZINC000084124628 568939381 /nfs/dbraw/zinc/93/93/81/568939381.db2.gz VZHVUDQBMXJDPV-UHFFFAOYSA-N -1 0 423.459 4.075 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)CCc2cccs2)c1 ZINC000008036115 568969637 /nfs/dbraw/zinc/96/96/37/568969637.db2.gz YZOFMBUFAJICHN-UHFFFAOYSA-N -1 0 416.524 4.129 50 0 HIAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)Nc1cccc(SC)c1)CC2 ZINC000015782040 569002846 /nfs/dbraw/zinc/00/28/46/569002846.db2.gz MGUHVUZFIIJGMW-QGZVFWFLSA-N -1 0 416.499 4.032 50 0 HIAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)Nc1cccc(SC)c1)CC2 ZINC000015782038 569002903 /nfs/dbraw/zinc/00/29/03/569002903.db2.gz MGUHVUZFIIJGMW-KRWDZBQOSA-N -1 0 416.499 4.032 50 0 HIAARM CCCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccccc3Cl)ccc2s1 ZINC000015870420 569017301 /nfs/dbraw/zinc/01/73/01/569017301.db2.gz FHMINOSRBMJEIA-UHFFFAOYSA-N -1 0 409.920 4.489 50 0 HIAARM O=C([O-])CCSCC(=O)N(Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000012895532 569020218 /nfs/dbraw/zinc/02/02/18/569020218.db2.gz ITCYYVHFPQEBGA-UHFFFAOYSA-N -1 0 405.535 4.331 50 0 HIAARM CC[C@@H](Cc1ccc(C(=O)NCc2ccc(OC)cc2C(F)(F)F)cc1)C(=O)[O-] ZINC000575440732 569027839 /nfs/dbraw/zinc/02/78/39/569027839.db2.gz VPAHYLNIDWFBPW-AWEZNQCLSA-N -1 0 409.404 4.297 50 0 in-vitro HIAARM Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012941314 569028661 /nfs/dbraw/zinc/02/86/61/569028661.db2.gz PRIRGZWTJZLFJP-HNNXBMFYSA-N -1 0 415.921 4.032 50 0 HIAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000016200547 569029800 /nfs/dbraw/zinc/02/98/00/569029800.db2.gz IXPAFTGGSBMSLN-UHFFFAOYSA-N -1 0 408.260 4.491 50 0 HIAARM COC(=O)C[C@H](c1cccnc1)c1c(O)ccc(C(=O)c2ccc(Cl)cc2)c1[O-] ZINC000524730269 569051686 /nfs/dbraw/zinc/05/16/86/569051686.db2.gz BWCLLWVXGFJMIO-QGZVFWFLSA-N -1 0 411.841 4.072 50 0 HIAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3ccccc3Cl)C2)cc1 ZINC000006441509 569052825 /nfs/dbraw/zinc/05/28/25/569052825.db2.gz WKGOPAIGWHWWIC-IBGZPJMESA-N -1 0 400.862 4.281 50 0 HIAARM CCOC(=O)[C@@]([N-]c1ccccc1C(F)(F)F)(NC(=O)CC(C)C)C(F)(F)F ZINC000001880485 569056861 /nfs/dbraw/zinc/05/68/61/569056861.db2.gz AHUVPIDQBFSFNI-OAHLLOKOSA-N -1 0 414.346 4.101 50 0 HIAARM COc1ccc(C=NN(C)c2ccccc2)cc1OC(=O)c1ccccc1C(=O)[O-] ZINC000252613908 569060818 /nfs/dbraw/zinc/06/08/18/569060818.db2.gz JELIFEPPBDQYJS-UHFFFAOYSA-N -1 0 404.422 4.083 50 0 HIAARM CCCCc1ccc(S(=O)(=O)[N-]c2ncn(Cc3cccc(Cl)c3)n2)cc1 ZINC000006502317 569061656 /nfs/dbraw/zinc/06/16/56/569061656.db2.gz QBDQJQBKJGSOBH-UHFFFAOYSA-N -1 0 404.923 4.123 50 0 HIAARM O=C1C([O-])=C(S(=O)(=O)c2ccccc2)[C@@H](c2ccc(F)cc2)N1c1ccccc1 ZINC000064557856 569066895 /nfs/dbraw/zinc/06/68/95/569066895.db2.gz RPEJKAXSMGRWGV-LJQANCHMSA-N -1 0 409.438 4.157 50 0 HIAARM Cc1nn(CCc2n[n-]c(=S)n2-c2cc(C)ccc2C)c(C)c1Br ZINC000006627140 569075999 /nfs/dbraw/zinc/07/59/99/569075999.db2.gz UOXIXUVUIZGCHE-UHFFFAOYSA-N -1 0 406.353 4.365 50 0 HIAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2cc(C)no2)cc1 ZINC000064845603 569108132 /nfs/dbraw/zinc/10/81/32/569108132.db2.gz SKQNCIRGIQNGAW-UHFFFAOYSA-N -1 0 405.501 4.088 50 0 HIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000064947301 569129172 /nfs/dbraw/zinc/12/91/72/569129172.db2.gz OCJMXDDCBFMBFL-UHFFFAOYSA-N -1 0 409.870 4.091 50 0 HIAARM COc1cc(-c2ccno2)ccc1S(=O)(=O)[N-]c1ccc(Br)c(C)c1 ZINC000064979571 569140985 /nfs/dbraw/zinc/14/09/85/569140985.db2.gz OKYOYNQSVYABCQ-UHFFFAOYSA-N -1 0 423.288 4.222 50 0 HIAARM Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)[N-]c1ccccc1C(F)(F)F ZINC000036358915 569150405 /nfs/dbraw/zinc/15/04/05/569150405.db2.gz ACYFEWSNCNEXNR-UHFFFAOYSA-N -1 0 413.396 4.448 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)s2)cc1OC ZINC000065003993 569152332 /nfs/dbraw/zinc/15/23/32/569152332.db2.gz GPMVNSVMIIVVCF-UHFFFAOYSA-N -1 0 406.485 4.099 50 0 HIAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)c1 ZINC000065004374 569152402 /nfs/dbraw/zinc/15/24/02/569152402.db2.gz MMZRCJYDGSHHRV-UHFFFAOYSA-N -1 0 420.512 4.489 50 0 HIAARM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)c1 ZINC000065009762 569153411 /nfs/dbraw/zinc/15/34/11/569153411.db2.gz ZHEZJIKQZCFSLB-UHFFFAOYSA-N -1 0 403.485 4.069 50 0 HIAARM Cc1nc2sc([C@@H](c3cccc(Br)c3)N3CCC[C@H](C)C3)c([O-])n2n1 ZINC000036370380 569154057 /nfs/dbraw/zinc/15/40/57/569154057.db2.gz XYBPPAZJPNCVJB-XHDPSFHLSA-N -1 0 421.364 4.389 50 0 HIAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3csc(C)n3)sc2C)cc1 ZINC000065138151 569183750 /nfs/dbraw/zinc/18/37/50/569183750.db2.gz OTUHRXONRPBVOY-UHFFFAOYSA-N -1 0 422.553 4.466 50 0 HIAARM O=C(NCc1ccc(Cl)cc1)c1c([O-])c2sccc2n(Cc2ccccc2)c1=O ZINC000065215686 569197605 /nfs/dbraw/zinc/19/76/05/569197605.db2.gz OHUPAFCBDPVJHQ-UHFFFAOYSA-N -1 0 424.909 4.400 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCCC4)o3)o2)c(C)c1 ZINC000065246485 569205514 /nfs/dbraw/zinc/20/55/14/569205514.db2.gz QRVSWKPSZZDRMH-UHFFFAOYSA-N -1 0 403.460 4.105 50 0 HIAARM COc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1COc1ccc(Cl)cc1Cl ZINC000036623601 569212723 /nfs/dbraw/zinc/21/27/23/569212723.db2.gz IFOUOVWGPDUSPC-WMLDXEAASA-N -1 0 414.310 4.369 50 0 HIAARM C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1n[n-]c2ccccc2c1=O)C1CC1 ZINC000170624398 569249499 /nfs/dbraw/zinc/24/94/99/569249499.db2.gz NBEYVOMADSVNOB-LBPRGKRZSA-N -1 0 401.388 4.308 50 0 HIAARM O=C([O-])[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]([C@@H]2CCCO2)C1 ZINC000675069162 569260517 /nfs/dbraw/zinc/26/05/17/569260517.db2.gz CMGFCALTFRYOFS-AVIJNYRZSA-N -1 0 421.493 4.280 50 0 HIAARM O=C(NCc1ccccc1Cl)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O ZINC000016839930 569264377 /nfs/dbraw/zinc/26/43/77/569264377.db2.gz KJNWMBVJEFGJMP-UHFFFAOYSA-N -1 0 404.853 4.280 50 0 HIAARM O=C(Nc1ccc(F)cc1F)c1cncc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000017156392 569275829 /nfs/dbraw/zinc/27/58/29/569275829.db2.gz IZOHMGKFDHCGSD-UHFFFAOYSA-N -1 0 423.828 4.066 50 0 HIAARM COc1ccc(CCNc2nc(-c3ccc(F)cc3)c(CC(=O)[O-])s2)cc1OC ZINC000007780480 569309646 /nfs/dbraw/zinc/30/96/46/569309646.db2.gz AZLMKBLJVVRNNS-UHFFFAOYSA-N -1 0 416.474 4.248 50 0 HIAARM C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@H]3C(=O)C[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@]12C ZINC000003978015 569356897 /nfs/dbraw/zinc/35/68/97/569356897.db2.gz OHXPGWPVLFPUSM-PTNLEKCFSA-N -1 0 402.531 4.073 50 0 HIAARM COc1ccc([C@H]2CC(=O)Oc3ccc(C(=O)c4ccccc4)c([O-])c32)c(OC)c1 ZINC000253414697 569367006 /nfs/dbraw/zinc/36/70/06/569367006.db2.gz YGRZSTSNKLKYNI-GOSISDBHSA-N -1 0 404.418 4.081 50 0 HIAARM CCOP(=O)(OCC)/C(=C(\NC(=O)c1ccccc1)C(=O)[O-])c1ccccc1 ZINC000002306135 569372413 /nfs/dbraw/zinc/37/24/13/569372413.db2.gz OMOHSPVJJFWGDX-ZCXUNETKSA-N -1 0 403.371 4.136 50 0 HIAARM [O-]c1c([C@H](c2ccc(Br)s2)N2CCCCCC2)sc2ncnn12 ZINC000252485997 569387553 /nfs/dbraw/zinc/38/75/53/569387553.db2.gz HGWHCIKCOXECHW-LBPRGKRZSA-N -1 0 413.366 4.286 50 0 HIAARM CC[C@H](C)NC(=O)Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000013349438 569411000 /nfs/dbraw/zinc/41/10/00/569411000.db2.gz QORFXOSSSHDJGT-LBPRGKRZSA-N -1 0 404.517 4.017 50 0 HIAARM CC[C@H](C)NC(=O)Nc1cc2sc([N-]S(=O)(=O)c3ccccc3)nc2c(C)c1 ZINC000013349510 569411032 /nfs/dbraw/zinc/41/10/32/569411032.db2.gz COBBCGOXIZWGPB-ZDUSSCGKSA-N -1 0 418.544 4.326 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3csc(C)n3)ccc2C)c(OC)c1 ZINC000013357819 569411498 /nfs/dbraw/zinc/41/14/98/569411498.db2.gz UQVFSSBLPPJCHM-UHFFFAOYSA-N -1 0 404.513 4.245 50 0 HIAARM O=C([O-])c1cccc(S(=O)(=O)N(Cc2ccccc2F)c2ccccc2F)c1 ZINC000078789741 569420474 /nfs/dbraw/zinc/42/04/74/569420474.db2.gz SZEMJLSTLVNFKC-UHFFFAOYSA-N -1 0 403.406 4.059 50 0 HIAARM N=c1scc(-c2ccc(Oc3ccccc3)cc2)n1CCCCS(=O)(=O)[O-] ZINC000334159345 571050395 /nfs/dbraw/zinc/05/03/95/571050395.db2.gz YWBBILCGQYCHBP-UHFFFAOYSA-N -1 0 404.513 4.156 50 0 HIAARM Cc1ccc2c(c1)NC(=O)c1cc([N-]S(=O)(=O)c3cc(F)ccc3F)ccc1O2 ZINC000008961270 571189708 /nfs/dbraw/zinc/18/97/08/571189708.db2.gz KNXVOXPNQNNANP-UHFFFAOYSA-N -1 0 416.405 4.432 50 0 HIAARM O=C(Nc1cccc(Cn2[n-]c(=O)ccc2=O)c1)c1cccc(Oc2ccccc2)c1 ZINC000040152461 571200001 /nfs/dbraw/zinc/20/00/01/571200001.db2.gz LAEOQCLZANBXRC-UHFFFAOYSA-N -1 0 413.433 4.042 50 0 HIAARM CC(C)CCN1c2ccc([N-]S(=O)(=O)c3cccs3)cc2OCC(C)(C)C1=O ZINC000009169261 571233437 /nfs/dbraw/zinc/23/34/37/571233437.db2.gz CZGJJTLMXXDUFV-UHFFFAOYSA-N -1 0 422.572 4.347 50 0 HIAARM COC(=O)c1c(=O)c2ccc(Cl)cc2[n-]c1SCC(=O)Nc1ccccc1C ZINC000009300211 571245996 /nfs/dbraw/zinc/24/59/96/571245996.db2.gz ZVMNZYZIKUYYBK-UHFFFAOYSA-N -1 0 416.886 4.007 50 0 HIAARM COc1cc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])ccc1OCc1ccccc1F ZINC000009357896 571251277 /nfs/dbraw/zinc/25/12/77/571251277.db2.gz MQYIUBLHLNXDDA-ZDLGFXPLSA-N -1 0 415.446 4.058 50 0 HIAARM CCCSc1ncc(Br)c(C(=O)[N-]c2nonc2-c2ccccc2)n1 ZINC000009409838 571255719 /nfs/dbraw/zinc/25/57/19/571255719.db2.gz JYIGYLSVFKFJEL-UHFFFAOYSA-N -1 0 420.292 4.044 50 0 HIAARM Cc1cc([N-]c2nc3cc(S(=O)(=O)Nc4ccccc4Cl)ccc3o2)no1 ZINC000009516965 571265070 /nfs/dbraw/zinc/26/50/70/571265070.db2.gz VJHLFYHUWFDXKW-UHFFFAOYSA-N -1 0 404.835 4.322 50 0 HIAARM COc1ccc(S(=O)(=O)[N-]c2nn(CC(C)C)c3nc4cc(C)ccc4cc23)cc1 ZINC000009546075 571267676 /nfs/dbraw/zinc/26/76/76/571267676.db2.gz HQMHEDBEQPECMS-UHFFFAOYSA-N -1 0 424.526 4.358 50 0 HIAARM Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)[N-]c2cc(Cl)ccc2C)c(C)n1C ZINC000009684943 571279706 /nfs/dbraw/zinc/27/97/06/571279706.db2.gz VPHBIZBSOKVIGA-UHFFFAOYSA-N -1 0 423.966 4.031 50 0 HIAARM Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c(C)n1C ZINC000009685264 571279783 /nfs/dbraw/zinc/27/97/83/571279783.db2.gz MMRYLFHEQMHKCP-UHFFFAOYSA-N -1 0 423.966 4.112 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1cc2[nH]c3c(c2cc1C)C(=O)CC(C)(C)C3 ZINC000009685592 571279979 /nfs/dbraw/zinc/27/99/79/571279979.db2.gz HUCLVWNYRXJZAF-UHFFFAOYSA-N -1 0 412.511 4.441 50 0 HIAARM [O-]c1c([C@H](c2ccco2)N2CCc3ccccc3C2)sc2nc(-c3ccco3)nn12 ZINC000009808610 571285952 /nfs/dbraw/zinc/28/59/52/571285952.db2.gz AJIVOKUDGVEEFL-SFHVURJKSA-N -1 0 418.478 4.497 50 0 HIAARM Cc1c(S(=O)(=O)[N-]c2ccc(C)cn2)cc(-c2nc(-c3ccccc3)cs2)n1C ZINC000065008652 571305551 /nfs/dbraw/zinc/30/55/51/571305551.db2.gz FRZQCBCPVKKZFG-UHFFFAOYSA-N -1 0 424.551 4.628 50 0 HIAARM CC[C@H](C)NC(=O)Nc1ccc2sc([N-]S(=O)(=O)c3ccc(C)cc3)nc2c1 ZINC000021357563 571309501 /nfs/dbraw/zinc/30/95/01/571309501.db2.gz ZHEQEEDEOISBQW-ZDUSSCGKSA-N -1 0 418.544 4.326 50 0 HIAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)s3)cc2)c1C ZINC000001200925 845003224 /nfs/dbraw/zinc/00/32/24/845003224.db2.gz QASAXBGKOJYBSN-UHFFFAOYSA-N -1 0 411.892 4.059 50 0 HIAARM C=CCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(C(=O)OCCCC)cc2)c1=O ZINC000005736891 845138619 /nfs/dbraw/zinc/13/86/19/845138619.db2.gz FTQNOPWSPOHQPX-UHFFFAOYSA-N -1 0 420.465 4.102 50 0 HIAARM CCCCOc1ccc(/C=C2\CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc1OC ZINC000014112077 845925814 /nfs/dbraw/zinc/92/58/14/845925814.db2.gz CURHBYRPFFVSCY-FOWTUZBSSA-N -1 0 420.465 4.227 50 0 HIAARM Cn1nccc1/C=C1/CN(Cc2ccccc2)Cc2c1nc1ccccc1c2C(=O)[O-] ZINC000095948608 852547372 /nfs/dbraw/zinc/54/73/72/852547372.db2.gz XDHDJCMFNPAOOD-AQTBWJFISA-N -1 0 410.477 4.223 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)/C=C\c2ccccc2)ccc1C ZINC000096619726 852552862 /nfs/dbraw/zinc/55/28/62/852552862.db2.gz FYBCHLJSDDTMQB-SQFISAMPSA-N -1 0 422.506 4.456 50 0 HIAARM COc1ccc(CN2C(=O)c3ccccc3/C(=C\c3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000096669556 852554228 /nfs/dbraw/zinc/55/42/28/852554228.db2.gz SKZPXBHOEKTXNN-HYARGMPZSA-N -1 0 413.429 4.117 50 0 HIAARM O=C([O-])/C(=C/c1cccc(Cl)c1)c1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000096767434 852555201 /nfs/dbraw/zinc/55/52/01/852555201.db2.gz JMLXXRHORBSVTG-NTCAYCPXSA-N -1 0 411.932 4.201 50 0 HIAARM CCCCOc1ccc(/C=C2/CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc1OC ZINC000096792815 852555888 /nfs/dbraw/zinc/55/58/88/852555888.db2.gz CURHBYRPFFVSCY-VBKFSLOCSA-N -1 0 420.465 4.227 50 0 HIAARM CC(N=Nc1c(Cl)c(Cl)nc(C(=O)[O-])c1Cl)c1ccc2c(c1)OCCO2 ZINC000254840942 854215777 /nfs/dbraw/zinc/21/57/77/854215777.db2.gz GHNWWLLBQATCIM-UHFFFAOYSA-N -1 0 416.648 4.347 50 0 HIAARM O=C([O-])CCC(=NNC(=O)c1ccc(COc2ccccc2)cc1)c1cccs1 ZINC000254840192 854216272 /nfs/dbraw/zinc/21/62/72/854216272.db2.gz WNPNADWYPCBTJU-UHFFFAOYSA-N -1 0 408.479 4.326 50 0 HIAARM O=C1[N-]C(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1c[nH]c2ccccc12 ZINC000001204356 132242338 /nfs/dbraw/zinc/24/23/38/132242338.db2.gz ROFOODGXGMQWCL-NTUHNPAUSA-N -1 0 416.289 4.306 50 0 HIAARM CN1C[C@@]2(Cc3c4ccccc4ccc31)C(=O)[N-]C(=O)N(c1ccc(F)cc1)C2=O ZINC000009088299 132335462 /nfs/dbraw/zinc/33/54/62/132335462.db2.gz AEYGPZFPLXLCPC-QHCPKHFHSA-N -1 0 403.413 4.081 50 0 HIAARM O=C(c1ccccc1)N1CCCc2ccc([N-]S(=O)(=O)c3ccccc3F)cc21 ZINC000017178224 132465354 /nfs/dbraw/zinc/46/53/54/132465354.db2.gz NEAOMJVXJDHYSK-UHFFFAOYSA-N -1 0 410.470 4.220 50 0 HIAARM CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000007054175 522223943 /nfs/dbraw/zinc/22/39/43/522223943.db2.gz OFTHMVCZXINFJP-GFCCVEGCSA-N -1 0 400.422 4.035 50 0 HIAARM COc1cccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(F)cc4)c32)c1OC ZINC000040287494 524114138 /nfs/dbraw/zinc/11/41/38/524114138.db2.gz LXCXYDYGYBZALP-HNNXBMFYSA-N -1 0 410.401 4.455 50 0 HIAARM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3ccc(C)cc3Br)c2)n1 ZINC000032915872 524492894 /nfs/dbraw/zinc/49/28/94/524492894.db2.gz CRSBYUFNPDPMKV-UHFFFAOYSA-N -1 0 420.332 4.361 50 0 HIAARM COc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(F)c4)c32)c(OC)c1 ZINC000044892665 525405347 /nfs/dbraw/zinc/40/53/47/525405347.db2.gz JBWMVJZWCWQKOK-MRXNPFEDSA-N -1 0 410.401 4.455 50 0 HIAARM O=C(Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)Nc1ccc(F)c(F)c1 ZINC000031940345 527237183 /nfs/dbraw/zinc/23/71/83/527237183.db2.gz DOKJNNLIIQZLRK-UHFFFAOYSA-N -1 0 408.451 4.008 50 0 HIAARM O=C(Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)Nc1ccc(Cl)cc1 ZINC000031940307 527237497 /nfs/dbraw/zinc/23/74/97/527237497.db2.gz JGZXRDXPQWPZEG-UHFFFAOYSA-N -1 0 406.916 4.384 50 0 HIAARM CC(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000000655965 557040767 /nfs/dbraw/zinc/04/07/67/557040767.db2.gz FUMZDAYYJABOCB-UHFFFAOYSA-N -1 0 401.513 4.320 50 0 HIAARM COc1ccc(Oc2ccc([N-]S(=O)(=O)c3cccc4cccnc43)cn2)cc1 ZINC000001046872 557156608 /nfs/dbraw/zinc/15/66/08/557156608.db2.gz HGRSSTWRVYWWBK-UHFFFAOYSA-N -1 0 407.451 4.232 50 0 HIAARM CCOc1cc(/C=C2/NC(=O)[N-]C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000001143704 557206178 /nfs/dbraw/zinc/20/61/78/557206178.db2.gz PZWFCIYBKKSYKL-VIZOYTHASA-N -1 0 407.253 4.151 50 0 HIAARM O=C([O-])CCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(Br)cc1 ZINC000001218297 557247186 /nfs/dbraw/zinc/24/71/86/557247186.db2.gz CNNXJSKBJOVYSF-CQSZACIVSA-N -1 0 407.289 4.053 50 0 HIAARM COc1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000002560804 557356532 /nfs/dbraw/zinc/35/65/32/557356532.db2.gz JYQODLWFOPCSCS-HSZRJFAPSA-N -1 0 417.461 4.230 50 0 HIAARM O=C([O-])[C@@H](COCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002560729 557356568 /nfs/dbraw/zinc/35/65/68/557356568.db2.gz DYBDGLCDMLNEMJ-HSZRJFAPSA-N -1 0 417.461 4.195 50 0 HIAARM O=C([O-])C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(O)cc1 ZINC000002585872 557358446 /nfs/dbraw/zinc/35/84/46/557358446.db2.gz VJELJMCALKYCRN-QFIPXVFZSA-N -1 0 403.434 4.447 50 0 HIAARM Cc1ccc(-c2[nH]nc3c2[C@H](c2cccnc2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1 ZINC000002746409 557377511 /nfs/dbraw/zinc/37/75/11/557377511.db2.gz MQXHVSXRMFWVGZ-QFIPXVFZSA-N -1 0 410.433 4.228 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCc2ccccc2)cc1 ZINC000003075036 557444978 /nfs/dbraw/zinc/44/49/78/557444978.db2.gz CEXCWTRXLPEQAZ-UHFFFAOYSA-N -1 0 404.495 4.351 50 0 HIAARM CCOC(=O)[C@]([N-]c1ccccc1F)(NC(=O)c1ccccc1Cl)C(F)(F)F ZINC000003103396 557446746 /nfs/dbraw/zinc/44/67/46/557446746.db2.gz USLBJFJBUNOGGN-KRWDZBQOSA-N -1 0 418.774 4.143 50 0 HIAARM O=C([O-])c1ccc(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccc(Cl)cc2)C3=O)cc1 ZINC000004484351 557558825 /nfs/dbraw/zinc/55/88/25/557558825.db2.gz UZKAVWSQGYGJQZ-UHFFFAOYSA-N -1 0 419.820 4.065 50 0 HIAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc2ccccc2c1 ZINC000002709805 557744697 /nfs/dbraw/zinc/74/46/97/557744697.db2.gz BSPDITYLOGZHHD-UHFFFAOYSA-N -1 0 409.492 4.349 50 0 HIAARM FC(F)n1ccc(-c2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)n1 ZINC000002730868 557754316 /nfs/dbraw/zinc/75/43/16/557754316.db2.gz AGUNWZNEAXYUJA-UHFFFAOYSA-N -1 0 407.837 4.439 50 0 HIAARM CC(=O)N1CCc2cc([N-]S(=O)(=O)c3c(C)c(Cl)cc(C)c3Cl)ccc21 ZINC000022274595 558475609 /nfs/dbraw/zinc/47/56/09/558475609.db2.gz PHRYRLPTCHJECC-UHFFFAOYSA-N -1 0 413.326 4.320 50 0 HIAARM Cn1cnnc1Sc1ccccc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000022287141 558476505 /nfs/dbraw/zinc/47/65/05/558476505.db2.gz MIJQPIZZLLQASC-UHFFFAOYSA-N -1 0 421.356 4.135 50 0 HIAARM COc1cccc(-c2nc3ccccc3c(N3CCN(c4ccccc4)CC3)n2)c1[O-] ZINC000013125561 558518312 /nfs/dbraw/zinc/51/83/12/558518312.db2.gz KJCQFEGOYNVIJL-UHFFFAOYSA-N -1 0 412.493 4.338 50 0 HIAARM COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN32)c(C(=O)[O-])c1OC ZINC000013552648 558539543 /nfs/dbraw/zinc/53/95/43/558539543.db2.gz XKMJHIOICMXXFD-OPAMFIHVSA-N -1 0 420.421 4.237 50 0 HIAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)N[C@H](C)Cc1c[nH]c2ccccc12 ZINC000013625884 558551040 /nfs/dbraw/zinc/55/10/40/558551040.db2.gz UFGYPVXPTDGMBL-GFCCVEGCSA-N -1 0 424.884 4.232 50 0 HIAARM Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(C(=O)[O-])c3)n2CC(C)C)c1 ZINC000072191482 558563058 /nfs/dbraw/zinc/56/30/58/558563058.db2.gz LKSINQMUMNIPQJ-UHFFFAOYSA-N -1 0 424.526 4.339 50 0 HIAARM CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2cc(Br)ccc2C(=O)[O-])cc1 ZINC000013939986 558604075 /nfs/dbraw/zinc/60/40/75/558604075.db2.gz KOQOWNDGQYUKIE-UHFFFAOYSA-N -1 0 419.275 4.384 50 0 HIAARM O=C([O-])[C@H](CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccc(F)cc1 ZINC000024978108 558623779 /nfs/dbraw/zinc/62/37/79/558623779.db2.gz GMVOUULFKULXMF-LJQANCHMSA-N -1 0 406.413 4.275 50 0 HIAARM O=S(=O)([N-]c1ccccc1OCC(F)(F)F)c1ccccc1OC(F)(F)F ZINC000025044193 558627735 /nfs/dbraw/zinc/62/77/35/558627735.db2.gz VLGKZCHALLUBEO-UHFFFAOYSA-N -1 0 415.311 4.327 50 0 HIAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2OC)cc1 ZINC000028781684 558704501 /nfs/dbraw/zinc/70/45/01/558704501.db2.gz CEQWTNGXAHPXOL-UHFFFAOYSA-N -1 0 419.480 4.136 50 0 HIAARM COc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)cc1O ZINC000015082325 558719410 /nfs/dbraw/zinc/71/94/10/558719410.db2.gz MPDSYEXKYYHUAG-CYBMUJFWSA-N -1 0 413.426 4.441 50 0 HIAARM Cc1ccccc1-n1c(=O)cc([O-])nc1SCC(=O)Nc1cccc2ccccc21 ZINC000015905781 558761494 /nfs/dbraw/zinc/76/14/94/558761494.db2.gz LEKYEVQDJKHBOD-UHFFFAOYSA-N -1 0 417.490 4.131 50 0 HIAARM Cc1ccc(NC(=O)c2c(NC(=O)CCCC(=O)[O-])sc3c2CCCC3)cc1 ZINC000017081979 558813934 /nfs/dbraw/zinc/81/39/34/558813934.db2.gz PRMHNXCMFKJSKQ-UHFFFAOYSA-N -1 0 400.500 4.381 50 0 HIAARM O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1cnn(Cc2cccc3ccccc32)c1 ZINC000017082667 558814779 /nfs/dbraw/zinc/81/47/79/558814779.db2.gz QYICEYDXNCJDNP-HCKZNZMISA-N -1 0 403.482 4.160 50 0 HIAARM C[C@@H]1CCc2c(sc(NC(=O)CCCC(=O)[O-])c2C(=O)NC2CCCCC2)C1 ZINC000017087457 558816338 /nfs/dbraw/zinc/81/63/38/558816338.db2.gz SWODSZHYSIVRQB-CYBMUJFWSA-N -1 0 406.548 4.129 50 0 HIAARM CCc1c(C)sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1C(=O)Nc1ccccc1 ZINC000017089199 558817723 /nfs/dbraw/zinc/81/77/23/558817723.db2.gz IKEGSCASKFINEB-IAGOWNOFSA-N -1 0 412.511 4.477 50 0 HIAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1scc(-c2ccccc2)c1C(=O)NC1CC1 ZINC000017089208 558817922 /nfs/dbraw/zinc/81/79/22/558817922.db2.gz PZDWCWJJUCQFPM-CVEARBPZSA-N -1 0 412.511 4.137 50 0 HIAARM Cc1sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c(C(N)=O)c1-c1ccc(C)c(C)c1 ZINC000017090025 558818548 /nfs/dbraw/zinc/81/85/48/558818548.db2.gz IJNRDMVXXXBFNA-HOTGVXAUSA-N -1 0 414.527 4.269 50 0 HIAARM Cc1sc(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])c(C(=O)NC2CCCC2)c1C ZINC000017091510 558820079 /nfs/dbraw/zinc/82/00/79/558820079.db2.gz QXLUNPBXHJHJLW-SJORKVTESA-N -1 0 418.559 4.423 50 0 HIAARM CC[C@@H]1CCc2c(sc(NC(=O)C[C@H](C)CC(=O)[O-])c2C(=O)NC2CCCC2)C1 ZINC000017092410 558820794 /nfs/dbraw/zinc/82/07/94/558820794.db2.gz CRBROQWWBFUEQM-UONOGXRCSA-N -1 0 420.575 4.375 50 0 HIAARM C[C@@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(=O)NC1CC1)CC[C@@H](C(C)(C)C)C2 ZINC000017092403 558820855 /nfs/dbraw/zinc/82/08/55/558820855.db2.gz BGBSVOSLTMPLKU-CHWSQXEVSA-N -1 0 420.575 4.231 50 0 HIAARM Cc1ccccc1NC(=O)c1c2c(sc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])CCC2 ZINC000017094009 558822374 /nfs/dbraw/zinc/82/23/74/558822374.db2.gz IXKKCWRYIPXVKD-LSDHHAIUSA-N -1 0 424.522 4.403 50 0 HIAARM CCCCN(C)c1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)c(C(=O)[O-])c1 ZINC000033007450 558828382 /nfs/dbraw/zinc/82/83/82/558828382.db2.gz JDYCBFLGMHOWMI-UHFFFAOYSA-N -1 0 414.886 4.214 50 0 HIAARM CCOC(=O)c1c(N)nc([N-]c2nc(C)c3cc(C)ccc3n2)nc1-c1ccccc1 ZINC000018208487 558833538 /nfs/dbraw/zinc/83/35/38/558833538.db2.gz FQVUWSASFFVXIR-UHFFFAOYSA-N -1 0 414.469 4.206 50 0 HIAARM Cc1ccc(S(=O)(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)[O-])c2)c(C)c1 ZINC000033253436 558921449 /nfs/dbraw/zinc/92/14/49/558921449.db2.gz KBYOFIRJZYTBRH-UHFFFAOYSA-N -1 0 402.516 4.039 50 0 HIAARM CCN(CC)c1ccc(NS(=O)(=O)c2ccc(CC(C)C)cc2)cc1C(=O)[O-] ZINC000033253649 558921973 /nfs/dbraw/zinc/92/19/73/558921973.db2.gz OIKRSXVUARSCHM-UHFFFAOYSA-N -1 0 404.532 4.230 50 0 HIAARM Cc1nc2sc([C@@H](c3ccco3)N3CCC(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000023158083 559022617 /nfs/dbraw/zinc/02/26/17/559022617.db2.gz LVIBLPBSOHGPIX-LJQANCHMSA-N -1 0 408.527 4.442 50 0 HIAARM O=S(=O)([N-]c1ccc(Br)cc1)c1ccc(Br)cc1F ZINC000096171002 559100997 /nfs/dbraw/zinc/10/09/97/559100997.db2.gz FPVPBHXKKWFQRR-UHFFFAOYSA-N -1 0 409.074 4.152 50 0 HIAARM CC(C)CCn1c2ccccc2c([O-])c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O ZINC000100658540 559137526 /nfs/dbraw/zinc/13/75/26/559137526.db2.gz QLOJXPXSYJTTMY-UHFFFAOYSA-N -1 0 408.542 4.452 50 0 HIAARM O=C([O-])CSc1c2ccc(C(=O)NCc3cccs3)cc2nc2c1CCCC2 ZINC000004885248 559196843 /nfs/dbraw/zinc/19/68/43/559196843.db2.gz AFFHHRQUYLIMBK-UHFFFAOYSA-N -1 0 412.536 4.282 50 0 HIAARM O=C([O-])CC12C[C@H]3C[C@@H](C1)CC(n1ncc(NC4CCCCC4)c(Cl)c1=O)(C3)C2 ZINC000004927768 559208273 /nfs/dbraw/zinc/20/82/73/559208273.db2.gz NVXACPUFXQQVDP-BXBLUCELSA-N -1 0 419.953 4.412 50 0 HIAARM O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1Cl)c1ccccn1 ZINC000033676887 559227971 /nfs/dbraw/zinc/22/79/71/559227971.db2.gz ZUIYXGYULYBGSX-UHFFFAOYSA-N -1 0 422.293 4.442 50 0 HIAARM O=S(=O)([N-]c1cccc(-c2nnc3n2CCCCC3)c1)c1ccccc1Cl ZINC000005121186 559247862 /nfs/dbraw/zinc/24/78/62/559247862.db2.gz ZTQZBPNMUGOSCQ-UHFFFAOYSA-N -1 0 402.907 4.126 50 0 HIAARM Oc1ccc2c(c1)Oc1ncn3nc(-c4ccccc4O)nc3c1[C@@H]2c1ccccc1 ZINC000005179824 559289316 /nfs/dbraw/zinc/28/93/16/559289316.db2.gz AQUDKPAFMBXGTI-HXUWFJFHSA-N -1 0 408.417 4.488 50 0 HIAARM Cc1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)[C@H](C)C4)c(Br)c1 ZINC000200468686 560734791 /nfs/dbraw/zinc/73/47/91/560734791.db2.gz PHZPRSOQBQKKGI-LLVKDONJSA-N -1 0 413.271 4.147 50 0 HIAARM CCCNC(=O)c1sc(-n2[n-]c(C)c(Cc3ccccc3Cl)c2=O)nc1C ZINC000101505572 560796693 /nfs/dbraw/zinc/79/66/93/560796693.db2.gz HTAPAHGZUHNVTG-UHFFFAOYSA-N -1 0 404.923 4.035 50 0 HIAARM Cc1ccc(NC(=O)c2c([O-])c3cccnc3n(-c3cccc(F)c3)c2=O)c(C)c1 ZINC000101722390 560798813 /nfs/dbraw/zinc/79/88/13/560798813.db2.gz CZSPTHBHIJLDPO-UHFFFAOYSA-N -1 0 403.413 4.100 50 0 HIAARM O=C(Nc1ccc(F)c(Cl)c1)c1c([O-])c2cccnc2n(Cc2ccccc2)c1=O ZINC000101722799 560799016 /nfs/dbraw/zinc/79/90/16/560799016.db2.gz OITGGGJEGSBAGP-UHFFFAOYSA-N -1 0 423.831 4.195 50 0 HIAARM COc1ccc(-n2c(=O)c(C(=O)Nc3cccc(Cl)c3)c([O-])c3cccnc32)cc1 ZINC000101723397 560799237 /nfs/dbraw/zinc/79/92/37/560799237.db2.gz IXHYHPUXHAVUQU-UHFFFAOYSA-N -1 0 421.840 4.006 50 0 HIAARM Cc1ccc(-n2nc3c4cc(C(=O)Nc5ccc(O)cc5)ccc4[n-]cc-3c2=O)cc1 ZINC000101828158 560802689 /nfs/dbraw/zinc/80/26/89/560802689.db2.gz YSQRLGKTCJNBSX-UHFFFAOYSA-N -1 0 410.433 4.085 50 0 HIAARM Cc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccc(F)cc2F)cc1C ZINC000101835601 560803335 /nfs/dbraw/zinc/80/33/35/560803335.db2.gz SJDKVAQDKIZBLL-IBGZPJMESA-N -1 0 424.407 4.014 50 0 HIAARM Cc1ccc([C@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccccc4Cl)cnn32)cc1 ZINC000102820873 560829562 /nfs/dbraw/zinc/82/95/62/560829562.db2.gz YAANTQFIRFAWGY-GOSISDBHSA-N -1 0 408.845 4.081 50 0 HIAARM O=C([O-])c1cc(Br)cc(Br)c1NC(=O)/C=C/c1ccco1 ZINC000013943347 560830639 /nfs/dbraw/zinc/83/06/39/560830639.db2.gz MZBHOIRFTGXSEL-ONEGZZNKSA-N -1 0 415.037 4.155 50 0 HIAARM Cc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2cccc(Cl)c2)cc1 ZINC000102901172 560834934 /nfs/dbraw/zinc/83/49/34/560834934.db2.gz SPUNNOGCQVQFOE-GOSISDBHSA-N -1 0 408.845 4.081 50 0 HIAARM Cc1ccc(-n2nc3c4cc(C(=O)NCc5ccccc5)ccc4[nH]cc-3c2=O)cc1C ZINC000101282075 560851711 /nfs/dbraw/zinc/85/17/11/560851711.db2.gz NGHIKTIYHDKEMB-UHFFFAOYSA-N -1 0 422.488 4.365 50 0 HIAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(Br)c(C)c2)cc1Cl ZINC000016095792 560858321 /nfs/dbraw/zinc/85/83/21/560858321.db2.gz XVTBMJNLYZKLJV-UHFFFAOYSA-N -1 0 420.712 4.229 50 0 HIAARM Cc1nn(C)c(C)c1CCCN(C)c1ccc(NC(=O)c2ccccc2)cc1C(=O)[O-] ZINC000046053567 568425367 /nfs/dbraw/zinc/42/53/67/568425367.db2.gz XMFXYNGRZXYLBK-UHFFFAOYSA-N -1 0 420.513 4.056 50 0 HIAARM COc1ccc(NC(=O)c2c([O-])c3ccccc3n(Cc3ccccc3)c2=O)cc1 ZINC000111931096 568436266 /nfs/dbraw/zinc/43/62/66/568436266.db2.gz OBXCFFQCZXMOKP-UHFFFAOYSA-N -1 0 400.434 4.016 50 0 HIAARM Cc1ccc2c(ncc(C(=O)N3CCCCCC3)c2Nc2ccc(CC(=O)[O-])cc2)n1 ZINC000049004753 568446849 /nfs/dbraw/zinc/44/68/49/568446849.db2.gz GQBLVDMPNIUBFR-UHFFFAOYSA-N -1 0 418.497 4.325 50 0 HIAARM COc1ccc(NC(=O)c2c([O-])c3sccc3n(Cc3ccccc3)c2=O)c(C)c1 ZINC000049409604 568449672 /nfs/dbraw/zinc/44/96/72/568449672.db2.gz YJFPNNHUVHZOKC-UHFFFAOYSA-N -1 0 420.490 4.386 50 0 HIAARM COc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC000000829587 568500424 /nfs/dbraw/zinc/50/04/24/568500424.db2.gz FKJFEGWXADUNOM-UHFFFAOYSA-N -1 0 406.467 4.183 50 0 HIAARM O=S(=O)([N-]c1cccc(Cn2cccn2)c1)c1cc(C(F)(F)F)ccc1Cl ZINC000031722533 568504820 /nfs/dbraw/zinc/50/48/20/568504820.db2.gz UTGWKQNKRPUDJL-UHFFFAOYSA-N -1 0 415.824 4.404 50 0 HIAARM CCCN1Cc2cccc([N-]S(=O)(=O)c3cc(C)ccc3Br)c2C1 ZINC000095451656 568614669 /nfs/dbraw/zinc/61/46/69/568614669.db2.gz BKYVCFGKSZDRNJ-UHFFFAOYSA-N -1 0 409.349 4.284 50 0 HIAARM CCc1ccc(-c2[nH]nc3nc(-c4ccc(C(=O)OC)cc4)cc(C(=O)[O-])c32)cc1 ZINC000020492365 568614900 /nfs/dbraw/zinc/61/49/00/568614900.db2.gz ZTVBPQRKAJRXGW-UHFFFAOYSA-N -1 0 401.422 4.339 50 0 HIAARM O=C([O-])CCC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccc(Br)cc1 ZINC000225496316 568643212 /nfs/dbraw/zinc/64/32/12/568643212.db2.gz RFLJDNMQBBYTTI-QGZVFWFLSA-N -1 0 419.250 4.131 50 0 HIAARM COc1ccc(-c2cnc(C)o2)cc1S(=O)(=O)[N-]c1cccc(Br)c1 ZINC000021033414 568659516 /nfs/dbraw/zinc/65/95/16/568659516.db2.gz TTWPBIIKEFNGPR-UHFFFAOYSA-N -1 0 423.288 4.222 50 0 HIAARM O=S(=O)([N-]c1noc(-c2ccccc2)c1Br)c1ccc2c(c1)CCC2 ZINC000225743813 568670451 /nfs/dbraw/zinc/67/04/51/568670451.db2.gz VGAHMYBYKYNYKZ-UHFFFAOYSA-N -1 0 419.300 4.394 50 0 HIAARM CCOc1ccc(NC(=O)c2c([O-])c3ccccc3n(-c3ccccc3)c2=O)cc1 ZINC000012416047 568718273 /nfs/dbraw/zinc/71/82/73/568718273.db2.gz KWXAWWDHPVIVIR-UHFFFAOYSA-N -1 0 400.434 4.347 50 0 HIAARM Cc1ccc(F)cc1NC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000237563763 568725869 /nfs/dbraw/zinc/72/58/69/568725869.db2.gz KZTNWBGRNVKUQH-UHFFFAOYSA-N -1 0 407.323 4.289 50 0 HIAARM O=C(c1ccc(F)cc1)c1cccnc1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000241231036 568730766 /nfs/dbraw/zinc/73/07/66/568730766.db2.gz KRKRNIQCZLPCRA-UHFFFAOYSA-N -1 0 408.813 4.045 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C2=N[C@H](Cc3ccccc3)CO2)cc1 ZINC000096581709 568762680 /nfs/dbraw/zinc/76/26/80/568762680.db2.gz GYFYLQAHTKFQCD-LJQANCHMSA-N -1 0 406.507 4.184 50 0 HIAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000003135712 568857830 /nfs/dbraw/zinc/85/78/30/568857830.db2.gz KFLCZDSXISGZQI-NWDGAFQWSA-N -1 0 400.740 4.205 50 0 HIAARM COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])CC2 ZINC000004090163 568941853 /nfs/dbraw/zinc/94/18/53/568941853.db2.gz VLGSWNDVRXREIF-YCRNBWNJSA-N -1 0 423.509 4.069 50 0 biogenic HIAARM CC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000012758426 568943470 /nfs/dbraw/zinc/94/34/70/568943470.db2.gz HHIPVLUHCUJAIY-UHFFFAOYSA-N -1 0 401.315 4.323 50 0 HIAARM CCCCc1c(C)[n-]n(-c2nc(C)c(C(=O)Nc3ccc(OC)cc3)s2)c1=O ZINC000015671487 568962166 /nfs/dbraw/zinc/96/21/66/568962166.db2.gz PLNGXQHEHWSUSZ-UHFFFAOYSA-N -1 0 400.504 4.255 50 0 HIAARM O=S(=O)([N-]c1cccc(-c2ccc(N3CCCC3)nn2)c1)c1ccccc1Cl ZINC000015785243 569005327 /nfs/dbraw/zinc/00/53/27/569005327.db2.gz VJZIZXVQVFQUJS-UHFFFAOYSA-N -1 0 414.918 4.198 50 0 HIAARM CCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc(Cl)s3)ccc2s1 ZINC000015870032 569017127 /nfs/dbraw/zinc/01/71/27/569017127.db2.gz LWNSUVNORFTGBZ-UHFFFAOYSA-N -1 0 401.922 4.161 50 0 HIAARM COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])sc(C)c1-c1ccc(F)cc1 ZINC000006184254 569029089 /nfs/dbraw/zinc/02/90/89/569029089.db2.gz SHCLXHVYOCABKX-HUUCEWRRSA-N -1 0 417.458 4.255 50 0 HIAARM O=S(=O)([N-]c1ccc(OC(F)F)cc1)c1c(F)cc(F)cc1Br ZINC000016149099 569029444 /nfs/dbraw/zinc/02/94/44/569029444.db2.gz IEHKASYPTHESHR-UHFFFAOYSA-N -1 0 414.174 4.130 50 0 HIAARM COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)cc1 ZINC000001191580 569034943 /nfs/dbraw/zinc/03/49/43/569034943.db2.gz ONAINQMZUKDTAC-XDHOZWIPSA-N -1 0 415.449 4.347 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]C(=O)N(Cc2ccco2)Cc2ccc(Cl)cc2)cc1 ZINC000006479958 569059249 /nfs/dbraw/zinc/05/92/49/569059249.db2.gz FWRCZBSSAJNJAO-UHFFFAOYSA-N -1 0 418.902 4.342 50 0 HIAARM Cc1c2ccc(OCc3ccc(Br)cc3F)cc2oc(=O)c1CC(=O)[O-] ZINC000001121907 569060310 /nfs/dbraw/zinc/06/03/10/569060310.db2.gz OTFBUZZKDQVDFX-UHFFFAOYSA-N -1 0 421.218 4.209 50 0 biogenic HIAARM Cc1oc2cc(OCC(=O)[O-])ccc2c(=O)c1Oc1ccc(Br)cc1 ZINC000004025269 569060755 /nfs/dbraw/zinc/06/07/55/569060755.db2.gz JYDVSYDAPJYPBH-UHFFFAOYSA-N -1 0 405.200 4.120 50 0 biogenic HIAARM O=C1C([O-])=C(S(=O)(=O)c2ccccc2)[C@H](c2ccccc2)N1c1ccc(F)cc1 ZINC000064557774 569066873 /nfs/dbraw/zinc/06/68/73/569066873.db2.gz PKNRQSXIFNJVJU-IBGZPJMESA-N -1 0 409.438 4.157 50 0 HIAARM CCCCC(=O)Nc1ccc(N2CCN(c3cccc(C)c3C)CC2)cc1C(=O)[O-] ZINC000064589737 569069070 /nfs/dbraw/zinc/06/90/70/569069070.db2.gz XGRSWRBNEYEDMK-UHFFFAOYSA-N -1 0 409.530 4.457 50 0 HIAARM CCc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3OC)cc2)c1 ZINC000006623458 569075169 /nfs/dbraw/zinc/07/51/69/569075169.db2.gz YSJQDMHTORJHJB-UHFFFAOYSA-N -1 0 410.495 4.311 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3c(C)noc3C)ccc2OC)cc1Cl ZINC000064837417 569104633 /nfs/dbraw/zinc/10/46/33/569104633.db2.gz UJOFWHYTTZKGLK-UHFFFAOYSA-N -1 0 422.890 4.430 50 0 HIAARM Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1C ZINC000064845831 569108225 /nfs/dbraw/zinc/10/82/25/569108225.db2.gz SNGJZKICJXNPEQ-UHFFFAOYSA-N -1 0 406.485 4.166 50 0 HIAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)cc2C)cc1Cl ZINC000064979619 569141033 /nfs/dbraw/zinc/14/10/33/569141033.db2.gz AQFUGKDHZLDEGV-UHFFFAOYSA-N -1 0 422.890 4.430 50 0 HIAARM CSc1ccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2-c2nnc(C3CC3)o2)cc1 ZINC000065194183 569192681 /nfs/dbraw/zinc/19/26/81/569192681.db2.gz LJQNNLDMOIBABR-UHFFFAOYSA-N -1 0 418.544 4.092 50 0 HIAARM Cc1c2c(cc(=O)n1CCc1c[nH]c3ccccc13)[n-]n(-c1ccc(F)cc1)c2=O ZINC000036585612 569203099 /nfs/dbraw/zinc/20/30/99/569203099.db2.gz INFGCNYEBFWKKK-UHFFFAOYSA-N -1 0 402.429 4.016 50 0 HIAARM Cc1nn(-c2ccccc2)c2[n-]cc(C(=O)Nc3ccccc3C(F)(F)F)c(=O)c12 ZINC000007424030 569237989 /nfs/dbraw/zinc/23/79/89/569237989.db2.gz TXKVERUVDSASRJ-UHFFFAOYSA-N -1 0 412.371 4.293 50 0 HIAARM COc1ccc(-c2cccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)c2)nn1 ZINC000007428249 569238592 /nfs/dbraw/zinc/23/85/92/569238592.db2.gz XCYAKOOEVHPQEJ-UHFFFAOYSA-N -1 0 410.282 4.260 50 0 HIAARM CCc1ccc(Nc2nc(Nc3ccc(CC)cc3)nc(N[C@H](C)C(=O)[O-])n2)cc1 ZINC000007498924 569242691 /nfs/dbraw/zinc/24/26/91/569242691.db2.gz CZVHWIXETILLPO-CQSZACIVSA-N -1 0 406.490 4.369 50 0 HIAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccnc3)ccc2Cl)c(C)c1 ZINC000001050815 569277088 /nfs/dbraw/zinc/27/70/88/569277088.db2.gz FOWWVXPYSVCUCQ-UHFFFAOYSA-N -1 0 415.902 4.405 50 0 HIAARM O=C([O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1CCOC2(CCC2)C1 ZINC000227174362 569279621 /nfs/dbraw/zinc/27/96/21/569279621.db2.gz KGDURSJCUICWCO-KSFYIVLOSA-N -1 0 421.493 4.328 50 0 HIAARM O=C([O-])c1cn(-c2cccc(C(F)(F)F)c2)c2c1NC(=O)C[C@H]2c1ccc(O)cc1 ZINC000066087903 569314404 /nfs/dbraw/zinc/31/44/04/569314404.db2.gz JIHYUEPZGRAYEG-HNNXBMFYSA-N -1 0 416.355 4.374 50 0 HIAARM COc1ccc([C@@H]2CC(=O)Oc3ccc(C(=O)c4ccccc4)c([O-])c32)cc1OC ZINC000253408444 569366205 /nfs/dbraw/zinc/36/62/05/569366205.db2.gz KSQYQMJLHNFZHJ-KRWDZBQOSA-N -1 0 404.418 4.081 50 0 HIAARM CCOC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(C(C)=O)cc1 ZINC000008605032 571091596 /nfs/dbraw/zinc/09/15/96/571091596.db2.gz PLYFGFKKEJPWCM-UHFFFAOYSA-N -1 0 403.481 4.081 50 0 HIAARM O=C([O-])[C@H](Cc1ccccc1Cl)S[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000008768214 571116038 /nfs/dbraw/zinc/11/60/38/571116038.db2.gz RTEUITFUJNGHCD-HOTGVXAUSA-N -1 0 424.305 4.054 50 0 HIAARM COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1cccc(OC)c1 ZINC000009002266 571209782 /nfs/dbraw/zinc/20/97/82/571209782.db2.gz SBPVISFHFOCBNS-UHFFFAOYSA-N -1 0 417.508 4.320 50 0 HIAARM CCCN1c2ccc([N-]S(=O)(=O)c3ccc(CC)s3)cc2OCC(C)(C)C1=O ZINC000009167638 571233088 /nfs/dbraw/zinc/23/30/88/571233088.db2.gz RNIBOKNFRMVYRY-UHFFFAOYSA-N -1 0 422.572 4.273 50 0 HIAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c1C(=O)N1CCCCC1 ZINC000009684471 571279486 /nfs/dbraw/zinc/27/94/86/571279486.db2.gz QLQJNOHOUQEKOK-UHFFFAOYSA-N -1 0 409.939 4.020 50 0 HIAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(Br)c(C)c3)s2)n[nH]1 ZINC000009686521 571279969 /nfs/dbraw/zinc/27/99/69/571279969.db2.gz OGPWHRFBHBXJRF-UHFFFAOYSA-N -1 0 412.334 4.318 50 0 HIAARM Cc1[nH]nc(-c2ccc(S(=O)(=O)[N-]c3cccc(Br)c3)s2)c1C ZINC000009686863 571279985 /nfs/dbraw/zinc/27/99/85/571279985.db2.gz LPDQMGYPAZDUGK-UHFFFAOYSA-N -1 0 412.334 4.318 50 0 HIAARM O=C(CSC1=Nc2ccc(Cl)cc2S(=O)(=O)[N-]1)c1ccc(Cl)cc1 ZINC000009762033 571284683 /nfs/dbraw/zinc/28/46/83/571284683.db2.gz RJGXBWDNRDAGCC-UHFFFAOYSA-N -1 0 401.296 4.080 50 0 HIAARM O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)[N-]c2ccccn2)ccc1Cl ZINC000000832292 571307373 /nfs/dbraw/zinc/30/73/73/571307373.db2.gz YOTFJLGXNFVBPN-UHFFFAOYSA-N -1 0 422.293 4.442 50 0 HIAARM CCCC[C@@H](CC)COC(=O)[C@H](CC(=O)OC[C@@H](CC)CCCC)S(=O)(=O)[O-] ZINC000100050346 574417208 /nfs/dbraw/zinc/41/72/08/574417208.db2.gz HNSDLXPSAYFUHK-KSZLIROESA-N -1 0 422.584 4.152 50 0 endogenous,world HIAARM O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C\c1ccc(-c2ccc(F)cc2)o1)CC3 ZINC000033747193 848139059 /nfs/dbraw/zinc/13/90/59/848139059.db2.gz PAWMXFURZARYDW-KAMYIIQDSA-N -1 0 402.381 4.438 50 0 HIAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc3c(c2)OCCO3)C1 ZINC000033776170 848139194 /nfs/dbraw/zinc/13/91/94/848139194.db2.gz FIZZUGUBQVDTCT-WJDWOHSUSA-N -1 0 402.450 4.080 50 0 HIAARM Cc1c(C(=O)[O-])sc2nc3n(c(=O)c12)CC/C3=C/c1ccccc1C(F)(F)F ZINC000103085209 852667166 /nfs/dbraw/zinc/66/71/66/852667166.db2.gz ZFURKUTZRRHBDP-FLIBITNWSA-N -1 0 406.385 4.428 50 0 HIAARM O=[N+]([O-])c1cccc(NN=Cc2cc(Br)c([O-])c(Br)c2)c1 ZINC000254372606 854210431 /nfs/dbraw/zinc/21/04/31/854210431.db2.gz SIIKFSXHFAJTAB-UHFFFAOYSA-N -1 0 415.041 4.271 50 0 HIAARM CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)[N-]c1ccc(Cl)c(C(F)(F)F)c1 ZINC000020574822 521383325 /nfs/dbraw/zinc/38/33/25/521383325.db2.gz DTZKNPAIPDLOKK-UHFFFAOYSA-N -1 0 424.828 4.281 50 0 HIAARM COc1cc(/C=C\C(=O)c2ccc(SCC(=O)[O-])c(OC)c2)ccc1OC(F)F ZINC000096402510 521980869 /nfs/dbraw/zinc/98/08/69/521980869.db2.gz NXPKTYUTWRZJQI-UTCJRWHESA-N -1 0 424.421 4.378 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3onc(C)c3C)ccc2OC)cc1Cl ZINC000020580749 524685805 /nfs/dbraw/zinc/68/58/05/524685805.db2.gz WDIJZZYJRLTQDH-UHFFFAOYSA-N -1 0 422.890 4.430 50 0 HIAARM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccncc3)cc2)cc1Cl ZINC000032817744 525240704 /nfs/dbraw/zinc/24/07/04/525240704.db2.gz KLELSXVZWMCTRE-UHFFFAOYSA-N -1 0 401.875 4.097 50 0 HIAARM C[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000032194754 525354382 /nfs/dbraw/zinc/35/43/82/525354382.db2.gz XMFIHZBLAYWPSO-CQSZACIVSA-N -1 0 416.449 4.257 50 0 HIAARM O=C([O-])c1cc(NS(=O)(=O)c2ccccc2Cl)ccc1N1CCCCCC1 ZINC000032962106 526354516 /nfs/dbraw/zinc/35/45/16/526354516.db2.gz XZTBUTWQOWZTJD-UHFFFAOYSA-N -1 0 408.907 4.219 50 0 HIAARM O=C([O-])[C@H](Cc1cccc(F)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000000622076 557019449 /nfs/dbraw/zinc/01/94/49/557019449.db2.gz DWSDVARCJDOADL-QFIPXVFZSA-N -1 0 405.425 4.360 50 0 HIAARM COc1ccc(CC(=O)N2[N-]C(=O)SC=C2c2ccc(Br)cc2)cc1 ZINC000000643807 557033970 /nfs/dbraw/zinc/03/39/70/557033970.db2.gz PTTIBCWLMXUDGK-UHFFFAOYSA-N -1 0 419.300 4.199 50 0 HIAARM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)c(C)c1 ZINC000000673936 557050787 /nfs/dbraw/zinc/05/07/87/557050787.db2.gz IZPUZXNEBVGZBK-UHFFFAOYSA-N -1 0 424.478 4.055 50 0 HIAARM CCOc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCc3ccccc3C2)cc1 ZINC000022627431 557112749 /nfs/dbraw/zinc/11/27/49/557112749.db2.gz MSIYCRRASKHRJT-FQEVSTJZSA-N -1 0 420.538 4.351 50 0 HIAARM O=S(=O)([N-]c1nnc(COc2ccc(Cl)cc2)s1)c1ccc(Cl)cc1 ZINC000000987641 557133065 /nfs/dbraw/zinc/13/30/65/557133065.db2.gz PRKAIMGHCGJESJ-UHFFFAOYSA-N -1 0 416.311 4.225 50 0 HIAARM CSc1n[n-]c(NC(=O)Nc2ccccc2)c1S(=O)(=O)c1ccc(Cl)cc1 ZINC000001037466 557151455 /nfs/dbraw/zinc/15/14/55/557151455.db2.gz NQLIIYQATVMGGA-UHFFFAOYSA-N -1 0 422.919 4.262 50 0 HIAARM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCc2ccccc2)ccc1Cl ZINC000001051258 557160030 /nfs/dbraw/zinc/16/00/30/557160030.db2.gz HRGNDKXPZGOKAR-UHFFFAOYSA-N -1 0 414.914 4.379 50 0 HIAARM Cc1ccc(Oc2ncccc2[N-]S(=O)(=O)c2cccc3nonc32)c2c1CCC2 ZINC000001324247 557255558 /nfs/dbraw/zinc/25/55/58/557255558.db2.gz NQRBRZSHJBQKAJ-UHFFFAOYSA-N -1 0 422.466 4.008 50 0 HIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)no1 ZINC000002602943 557359539 /nfs/dbraw/zinc/35/95/39/557359539.db2.gz WXPFZBIBGKUNCW-UHFFFAOYSA-N -1 0 413.499 4.334 50 0 HIAARM Cc1cc2nc3s/c(=C\c4ccc(-c5ccc(C(=O)[O-])cc5)o4)c(=O)n3c2cc1C ZINC000002916325 557426595 /nfs/dbraw/zinc/42/65/95/557426595.db2.gz JHDWHGLCVWNFMY-JAIQZWGSSA-N -1 0 416.458 4.032 50 0 HIAARM CCOC(=O)c1c(N)sc(C([O-])(C(F)(F)F)C(F)(F)F)c1-c1ccccc1 ZINC000003191209 557454583 /nfs/dbraw/zinc/45/45/83/557454583.db2.gz KZVGTJDPVJHJEN-UHFFFAOYSA-N -1 0 413.339 4.486 50 0 HIAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000003832740 557499279 /nfs/dbraw/zinc/49/92/79/557499279.db2.gz HKCNYVCUTWNVBI-UHFFFAOYSA-N -1 0 417.556 4.099 50 0 HIAARM COC(=O)c1c(-c2cc(C)ccc2C)csc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000003864133 557501532 /nfs/dbraw/zinc/50/15/32/557501532.db2.gz JZLQLDFYODLNLD-CABCVRRESA-N -1 0 413.495 4.424 50 0 HIAARM O=C([O-])[C@@H](Cc1ccccc1F)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000004208792 557528843 /nfs/dbraw/zinc/52/88/43/557528843.db2.gz ARHOAMSIDCQWEW-JOCHJYFZSA-N -1 0 405.425 4.360 50 0 HIAARM COc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000004755506 557593544 /nfs/dbraw/zinc/59/35/44/557593544.db2.gz CGEFNZRXKHIHIU-UHFFFAOYSA-N -1 0 416.886 4.402 50 0 HIAARM COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000004756912 557594193 /nfs/dbraw/zinc/59/41/93/557594193.db2.gz CLFBYRMBNGDBPP-UHFFFAOYSA-N -1 0 416.886 4.402 50 0 HIAARM COC(=O)c1c(-c2cccc(C)c2)csc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000002764293 557756379 /nfs/dbraw/zinc/75/63/79/557756379.db2.gz KRQONZAGIJSUPH-HUUCEWRRSA-N -1 0 401.484 4.340 50 0 HIAARM COC(=O)c1c(-c2cccc(C)c2)csc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000002764295 557756474 /nfs/dbraw/zinc/75/64/74/557756474.db2.gz KRQONZAGIJSUPH-CABCVRRESA-N -1 0 401.484 4.340 50 0 HIAARM COc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)[O-] ZINC000008438775 557789334 /nfs/dbraw/zinc/78/93/34/557789334.db2.gz UFZWDTIPYLNTTP-PXNMLYILSA-N -1 0 419.842 4.053 50 0 HIAARM Cc1cc2nc3s/c(=C/c4ccc(-c5ccccc5C(=O)[O-])o4)c(=O)n3c2cc1C ZINC000008816671 557809913 /nfs/dbraw/zinc/80/99/13/557809913.db2.gz UYYLCRHWINADHX-RGVLZGJSSA-N -1 0 416.458 4.032 50 0 HIAARM CCc1nc2sc([C@@H](c3cccc(Br)c3)N3CCCC3)c([O-])n2n1 ZINC000022852944 557840009 /nfs/dbraw/zinc/84/00/09/557840009.db2.gz XQLCKVXRCUBHJI-CQSZACIVSA-N -1 0 407.337 4.007 50 0 HIAARM CCc1nc2sc([C@@H](c3ccc(F)cc3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000022855061 557842114 /nfs/dbraw/zinc/84/21/14/557842114.db2.gz FDKPNIWKIWHETQ-LJQANCHMSA-N -1 0 408.502 4.346 50 0 HIAARM CCc1nc2sc([C@@H](c3cccc(OC)c3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000022855073 557842287 /nfs/dbraw/zinc/84/22/87/557842287.db2.gz QNLDJOPWHZHTFD-HXUWFJFHSA-N -1 0 420.538 4.215 50 0 HIAARM CCOc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000012648446 558443606 /nfs/dbraw/zinc/44/36/06/558443606.db2.gz UEYSKGSJQJDIIS-WQRHYEAKSA-N -1 0 413.451 4.029 50 0 HIAARM CCOc1ccc(Oc2ccccc2[N-]S(=O)(=O)c2ncn(C)c2Cl)cc1 ZINC000026532621 558662567 /nfs/dbraw/zinc/66/25/67/558662567.db2.gz HKNXKJUQTAKTBD-UHFFFAOYSA-N -1 0 407.879 4.065 50 0 HIAARM CCCOc1cc(S(=O)(=O)[N-]c2ccc(Cl)cn2)ccc1Br ZINC000027824301 558683719 /nfs/dbraw/zinc/68/37/19/558683719.db2.gz TWAMXQPANMZXNQ-UHFFFAOYSA-N -1 0 405.701 4.087 50 0 HIAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(-c3ccc(F)cc3)s2)c1 ZINC000028813503 558705144 /nfs/dbraw/zinc/70/51/44/558705144.db2.gz WRVREKXPNHBNFD-UHFFFAOYSA-N -1 0 405.472 4.306 50 0 HIAARM Cc1cc(C)n(-c2nc3cc(Cl)ccc3nc2NCc2ccc(C(=O)[O-])cc2)n1 ZINC000015081981 558719339 /nfs/dbraw/zinc/71/93/39/558719339.db2.gz GTQIXMUMNLJKRL-UHFFFAOYSA-N -1 0 407.861 4.396 50 0 HIAARM COC(=O)c1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)cc1 ZINC000015107233 558723277 /nfs/dbraw/zinc/72/32/77/558723277.db2.gz BCTJATUOKUUBAG-HNNXBMFYSA-N -1 0 407.447 4.374 50 0 HIAARM COc1ccccc1[C@]1(CCNC(=O)c2ccccc2C(=O)[O-])CCOC(C)(C)C1 ZINC000000892466 558774472 /nfs/dbraw/zinc/77/44/72/558774472.db2.gz PLMHMWSDJVTTPM-XMMPIXPASA-N -1 0 411.498 4.040 50 0 biogenic HIAARM COc1ccc([C@@H]2Sc3[nH]c(=O)sc3[C@H](c3ccc(C)cc3)[C@@H]2C(=O)[O-])cc1 ZINC000109794991 558782739 /nfs/dbraw/zinc/78/27/39/558782739.db2.gz QGQUDATWLSETLA-IKGGRYGDSA-N -1 0 413.520 4.433 50 0 HIAARM O=C(c1ccccc1[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)N1CCCC1 ZINC000016651971 558798215 /nfs/dbraw/zinc/79/82/15/558798215.db2.gz UOTDTJBJNBEMRM-UHFFFAOYSA-N -1 0 413.326 4.171 50 0 HIAARM O=S(=O)([N-]c1cnn(Cc2c(F)cccc2Cl)c1)c1ccc(Cl)cc1 ZINC000017081809 558813690 /nfs/dbraw/zinc/81/36/90/558813690.db2.gz JQZOVWFXZCZDMV-UHFFFAOYSA-N -1 0 400.262 4.178 50 0 HIAARM C[C@H]1CCc2c(sc(NC(=O)CCCC(=O)[O-])c2C(=O)Nc2ccccc2)C1 ZINC000017081936 558813818 /nfs/dbraw/zinc/81/38/18/558813818.db2.gz CFENELRMQFEOSM-ZDUSSCGKSA-N -1 0 400.500 4.319 50 0 HIAARM Cc1ccccc1NC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CCCC2 ZINC000017081994 558813959 /nfs/dbraw/zinc/81/39/59/558813959.db2.gz IIBRUUCZMUKRLP-UHFFFAOYSA-N -1 0 400.500 4.381 50 0 HIAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1scc(-c2ccccc2)c1C(=O)NC1CC1 ZINC000017089207 558817930 /nfs/dbraw/zinc/81/79/30/558817930.db2.gz PZDWCWJJUCQFPM-HZPDHXFCSA-N -1 0 412.511 4.137 50 0 HIAARM CCc1sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c(C(=O)OC)c1-c1ccccc1 ZINC000017089572 558818183 /nfs/dbraw/zinc/81/81/83/558818183.db2.gz AZXXACRFODKSTR-CABCVRRESA-N -1 0 413.495 4.370 50 0 HIAARM Cc1ccc(-c2csc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])c2C(=O)NC2CC2)cc1 ZINC000017093997 558822319 /nfs/dbraw/zinc/82/23/19/558822319.db2.gz VARVAZSUPMVEOI-DLBZAZTESA-N -1 0 424.522 4.221 50 0 HIAARM CCCOC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)[O-] ZINC000004675135 558886735 /nfs/dbraw/zinc/88/67/35/558886735.db2.gz LMSCMWYTEZPVOK-OAQYLSRUSA-N -1 0 406.482 4.296 50 0 HIAARM O=C([O-])CCC(=O)N1N=C(c2ccsc2)C[C@@H]1c1ccc(Br)cc1 ZINC000058161132 558905429 /nfs/dbraw/zinc/90/54/29/558905429.db2.gz SEXSOAOCHZTRLE-OAHLLOKOSA-N -1 0 407.289 4.053 50 0 HIAARM CC(C)c1nc(-c2ccccc2[N-]S(=O)(=O)c2ccccc2Br)n[nH]1 ZINC000058172658 558908580 /nfs/dbraw/zinc/90/85/80/558908580.db2.gz JHPDTCIGWUWTDM-UHFFFAOYSA-N -1 0 421.320 4.158 50 0 HIAARM Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)[O-])c1 ZINC000033253446 558921561 /nfs/dbraw/zinc/92/15/61/558921561.db2.gz XJJYADPQQUNHHX-UHFFFAOYSA-N -1 0 422.934 4.384 50 0 HIAARM CCCCN(C)c1cc(C(=O)[O-])c2cc(NC(=O)c3ccccc3OC)ccc2n1 ZINC000033260545 558926261 /nfs/dbraw/zinc/92/62/61/558926261.db2.gz QOVXELMQJPWSQC-UHFFFAOYSA-N -1 0 407.470 4.430 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000011635198 559118424 /nfs/dbraw/zinc/11/84/24/559118424.db2.gz YTWTVZBSCZJHRZ-UHFFFAOYSA-N -1 0 421.110 4.021 50 0 HIAARM CCCCOC(=O)c1ccc(NC(=O)c2c([O-])c3ccccc3n(CCC)c2=O)cc1 ZINC000100551188 559136389 /nfs/dbraw/zinc/13/63/89/559136389.db2.gz NMMQXAWKIYXDDK-UHFFFAOYSA-N -1 0 422.481 4.326 50 0 HIAARM COCc1cc(C)nc2sc3c([n-]c(-c4c[nH]c5ccc(OC)cc54)nc3=O)c21 ZINC000100221943 559179408 /nfs/dbraw/zinc/17/94/08/559179408.db2.gz DOLIXBVIQOYTNE-UHFFFAOYSA-N -1 0 406.467 4.145 50 0 HIAARM COc1ccc(-c2nc3c(nc(-c4cc(OC)ccc4OC)cc3C(=O)[O-])[nH]2)cc1 ZINC000011694744 559188358 /nfs/dbraw/zinc/18/83/58/559188358.db2.gz QLXVDEUNCHQZDN-UHFFFAOYSA-N -1 0 405.410 4.016 50 0 HIAARM Cc1ccn([C@@H](C)c2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)n1 ZINC000002809594 560188454 /nfs/dbraw/zinc/18/84/54/560188454.db2.gz NXJALABMYVGINA-LBPRGKRZSA-N -1 0 417.901 4.433 50 0 in-vitro HIAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1C(F)(F)F ZINC000004660796 560735843 /nfs/dbraw/zinc/73/58/43/560735843.db2.gz SFICGCPYSMTITQ-UHFFFAOYSA-N -1 0 410.211 4.277 50 0 HIAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(NC(=O)c3ccccc3)c(Cl)c1)C2=O ZINC000018196511 560782685 /nfs/dbraw/zinc/78/26/85/560782685.db2.gz LUXKNGXVQTUPFK-UHFFFAOYSA-N -1 0 420.808 4.091 50 0 HIAARM Cc1ccc(NC(=O)c2c([O-])c3cccnc3n(-c3ccc(F)cc3)c2=O)c(C)c1 ZINC000101723193 560799136 /nfs/dbraw/zinc/79/91/36/560799136.db2.gz OBNSOXKOAVWGMS-UHFFFAOYSA-N -1 0 403.413 4.100 50 0 HIAARM CC(C)COc1ccc(-c2noc(-c3c([O-])c4cc(F)ccc4n(C)c3=O)n2)cc1 ZINC000101725149 560799359 /nfs/dbraw/zinc/79/93/59/560799359.db2.gz MESMGWUTDHSTQS-UHFFFAOYSA-N -1 0 409.417 4.135 50 0 HIAARM Cc1cc(C)cc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3/C=C/c2ccccc2)c1 ZINC000102820660 560829558 /nfs/dbraw/zinc/82/95/58/560829558.db2.gz XYQRIYXFOZXMGP-SGQUHAKNSA-N -1 0 414.465 4.401 50 0 HIAARM Cc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccccc2Cl)cc1 ZINC000102901324 560834922 /nfs/dbraw/zinc/83/49/22/560834922.db2.gz SVWJCCVUGRQNPF-GOSISDBHSA-N -1 0 408.845 4.081 50 0 HIAARM CSc1ccc([N-]S(=O)(=O)c2c(C)[nH]c(-c3nnc(C4CC4)o3)c2C)cc1 ZINC000096379496 560848646 /nfs/dbraw/zinc/84/86/46/560848646.db2.gz YLKDBTGVFFDODD-UHFFFAOYSA-N -1 0 404.517 4.082 50 0 HIAARM Cn1c2ccsc2c([O-])c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1=O ZINC000049409456 568449682 /nfs/dbraw/zinc/44/96/82/568449682.db2.gz NDUYEJPWCIXZRI-UHFFFAOYSA-N -1 0 402.781 4.230 50 0 HIAARM Cn1c2ccsc2c([O-])c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1=O ZINC000049409476 568449697 /nfs/dbraw/zinc/44/96/97/568449697.db2.gz JSLBVWAQEKEIND-UHFFFAOYSA-N -1 0 402.781 4.230 50 0 HIAARM CC(C)Oc1ccc(-c2[nH]nc(C(=O)[O-])c2Br)cc1Br ZINC000217043514 568470518 /nfs/dbraw/zinc/47/05/18/568470518.db2.gz JVFZEENGEPJGKV-UHFFFAOYSA-N -1 0 404.058 4.087 50 0 HIAARM COc1cc(-c2nc3ccccn3c2-c2c([O-])c3ccccc3oc2=O)ccc1O ZINC000604404518 568492382 /nfs/dbraw/zinc/49/23/82/568492382.db2.gz OWMWFZVNRJNYPY-UHFFFAOYSA-N -1 0 400.390 4.195 50 0 HIAARM O=C([O-])c1ccc(-n2ncc3c2NC(=O)CS[C@@H]3c2ccc(F)c(F)c2)cc1 ZINC000095476508 568630576 /nfs/dbraw/zinc/63/05/76/568630576.db2.gz FLPHXIQDILOVEW-QGZVFWFLSA-N -1 0 401.394 4.273 50 0 HIAARM CCOc1cc2c(cc1OCC)[C@@H](CC(=O)[O-])N(C(=O)Nc1cccc(F)c1)CC2 ZINC000021044397 568660085 /nfs/dbraw/zinc/66/00/85/568660085.db2.gz MGVQFFGGHXPZLG-GOSISDBHSA-N -1 0 416.449 4.229 50 0 HIAARM CCc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3cc(OC)cc(OC)c3)C2)cc1 ZINC000225783076 568674384 /nfs/dbraw/zinc/67/43/84/568674384.db2.gz BORUDDPMYWHHGE-QFIPXVFZSA-N -1 0 424.497 4.199 50 0 HIAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cc(-c3cc(C)no3)cs2)c1 ZINC000021363553 568690536 /nfs/dbraw/zinc/69/05/36/568690536.db2.gz OIHZPDCFMXZXEE-UHFFFAOYSA-N -1 0 408.501 4.310 50 0 HIAARM COC(=O)C[C@@H]1c2cccnc2Oc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c21 ZINC000096221518 568705278 /nfs/dbraw/zinc/70/52/78/568705278.db2.gz MPIKOVFPIHOETH-OAHLLOKOSA-N -1 0 415.401 4.361 50 0 HIAARM COc1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1C(=O)[O-] ZINC000685945156 568722771 /nfs/dbraw/zinc/72/27/71/568722771.db2.gz YTCVRSJLQJQQDN-UHFFFAOYSA-N -1 0 403.434 4.432 50 0 HIAARM Cc1[nH]c(-c2nnc(C3CCC3)o2)c(C)c1S(=O)(=O)[N-]c1cc(F)ccc1C ZINC000096379539 568741069 /nfs/dbraw/zinc/74/10/69/568741069.db2.gz JPHRWRBSQIYDOR-UHFFFAOYSA-N -1 0 404.467 4.197 50 0 HIAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2C)c1-c1nnc(C2CC2)o1 ZINC000096379640 568741238 /nfs/dbraw/zinc/74/12/38/568741238.db2.gz HMRSNVFWIDPJNX-UHFFFAOYSA-N -1 0 406.895 4.322 50 0 HIAARM CCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccccc3C(F)(F)F)ccc21 ZINC000096399784 568749126 /nfs/dbraw/zinc/74/91/26/568749126.db2.gz RBMFVVPPHFHPIP-UHFFFAOYSA-N -1 0 412.433 4.195 50 0 HIAARM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1Cl ZINC000002630451 568790820 /nfs/dbraw/zinc/79/08/20/568790820.db2.gz SFJFVOLCCHGXJM-UHFFFAOYSA-N -1 0 422.915 4.463 50 0 HIAARM Cc1ccn(Cc2nnc([N-]c3ccn(Cc4c(Cl)cccc4Cl)n3)s2)n1 ZINC000002730625 568804708 /nfs/dbraw/zinc/80/47/08/568804708.db2.gz BVZDDFNGSSEVDO-UHFFFAOYSA-N -1 0 420.329 4.387 50 0 HIAARM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(Br)c(C)c3)n[nH]2)cc1 ZINC000005827295 568824630 /nfs/dbraw/zinc/82/46/30/568824630.db2.gz KFQIWFCDRIHTBS-UHFFFAOYSA-N -1 0 406.305 4.257 50 0 HIAARM CC1CCC(NC(=O)CCn2c(=O)c3sc4ccccc4c3[n-]c2=S)CC1 ZINC000002962279 568830589 /nfs/dbraw/zinc/83/05/89/568830589.db2.gz OXXARXWTDUCKKK-UHFFFAOYSA-N -1 0 401.557 4.359 50 0 HIAARM COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccs2)cc1 ZINC000003169068 568859117 /nfs/dbraw/zinc/85/91/17/568859117.db2.gz KYICOZOKTFHHLV-UHFFFAOYSA-N -1 0 412.496 4.244 50 0 HIAARM CCc1ccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC000030513341 568868298 /nfs/dbraw/zinc/86/82/98/568868298.db2.gz FLEVKKBLDVZCML-UHFFFAOYSA-N -1 0 400.525 4.293 50 0 HIAARM CCOc1ccc(-c2csc(NC(=O)CSCC(=O)[O-])n2)c2ccccc12 ZINC000003310817 568878295 /nfs/dbraw/zinc/87/82/95/568878295.db2.gz AOVMYDQAKNPNLE-UHFFFAOYSA-N -1 0 402.497 4.118 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(O)cc2)cc1C ZINC000003327433 568881456 /nfs/dbraw/zinc/88/14/56/568881456.db2.gz SSECPEMUHNPKSY-UHFFFAOYSA-N -1 0 420.494 4.497 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)C2(c3ccccc3)CC2)cc1 ZINC000003332014 568882065 /nfs/dbraw/zinc/88/20/65/568882065.db2.gz OLTZOXQWNYQOBH-UHFFFAOYSA-N -1 0 422.506 4.166 50 0 HIAARM Cc1nn(-c2ccccc2)c2[n-]cc(C(=O)N3c4ccc(F)cc4CC[C@@H]3C)c(=O)c12 ZINC000015391735 568885198 /nfs/dbraw/zinc/88/51/98/568885198.db2.gz MLRYCLMBGPPFJF-AWEZNQCLSA-N -1 0 416.456 4.143 50 0 HIAARM CCO[C@@H]1c2c(c(NC(=O)[N-]S(=O)(=O)c3ccc(C)cc3)ccc2C)OC1(C)C ZINC000004105221 568909100 /nfs/dbraw/zinc/90/91/00/568909100.db2.gz NCOGQYBXXBZAQK-LJQANCHMSA-N -1 0 418.515 4.062 50 0 HIAARM O=C([O-])c1ccc([C@H]2CC(=O)Oc3ccc4c(c32)OC2(CCCCC2)CC4=O)cc1 ZINC000218054117 568924906 /nfs/dbraw/zinc/92/49/06/568924906.db2.gz PQWAQHQYODVGAB-QGZVFWFLSA-N -1 0 406.434 4.494 50 0 HIAARM COc1ccc2cc(CN(C)C(=O)CSCc3ccc(C(=O)[O-])cc3)ccc2c1 ZINC000012820191 568991913 /nfs/dbraw/zinc/99/19/13/568991913.db2.gz CEQRSSUCNCBHPX-UHFFFAOYSA-N -1 0 409.507 4.438 50 0 HIAARM Cc1cccc(COc2cccc(C(=O)N(C)Cc3nc(=O)c4sccc4[n-]3)c2)c1 ZINC000012901567 569020829 /nfs/dbraw/zinc/02/08/29/569020829.db2.gz UAXUHFWGZQFYMI-UHFFFAOYSA-N -1 0 419.506 4.144 50 0 HIAARM COC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(F)cc1 ZINC000006184272 569029024 /nfs/dbraw/zinc/02/90/24/569029024.db2.gz RUWHKNGGYSLPRX-GJZGRUSLSA-N -1 0 419.474 4.479 50 0 HIAARM CCc1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3cc(Cl)ccc3OC)c2)no1 ZINC000035556948 569044660 /nfs/dbraw/zinc/04/46/60/569044660.db2.gz HCZDDMUXSMADHI-UHFFFAOYSA-N -1 0 407.879 4.070 50 0 HIAARM Cc1c2ccc(OCc3ccccc3Br)cc2oc(=O)c1CCC(=O)[O-] ZINC000002096509 569060461 /nfs/dbraw/zinc/06/04/61/569060461.db2.gz AHYKLURCZABYDI-UHFFFAOYSA-N -1 0 417.255 4.460 50 0 biogenic HIAARM Cc1sc(NC(=O)CCCC(=O)[O-])c(C(N)=O)c1-c1ccc(C(C)(C)C)cc1 ZINC000006525959 569063206 /nfs/dbraw/zinc/06/32/06/569063206.db2.gz GWCWHFGXDJUFDH-UHFFFAOYSA-N -1 0 402.516 4.313 50 0 HIAARM CCCc1c(O)c(C(C)=O)ccc1OCCOc1ccc(C=CC(=O)[O-])cc1OC ZINC000005591530 569072042 /nfs/dbraw/zinc/07/20/42/569072042.db2.gz AKXNRUOAFWBCGY-YRNVUSSQSA-N -1 0 414.454 4.112 50 0 HIAARM COC(=O)c1cccc(Nc2ncccc2S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000064757559 569091107 /nfs/dbraw/zinc/09/11/07/569091107.db2.gz YMRQUERAAYYUJR-UHFFFAOYSA-N -1 0 411.483 4.029 50 0 HIAARM CCCn1nc(C)cc1CN(C)c1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1F ZINC000064820459 569102685 /nfs/dbraw/zinc/10/26/85/569102685.db2.gz VTAHAMIVTZYIGX-UHFFFAOYSA-N -1 0 424.476 4.328 50 0 HIAARM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CCCC4)n3)cs2)cc1 ZINC000065009785 569153449 /nfs/dbraw/zinc/15/34/49/569153449.db2.gz USEGTAZHNOGQTI-UHFFFAOYSA-N -1 0 417.512 4.459 50 0 HIAARM O=C(Nc1cccc(Br)c1)c1c(=O)[nH]c2sc3c(c2c1[O-])CCCC3 ZINC000065150382 569184830 /nfs/dbraw/zinc/18/48/30/569184830.db2.gz LQSWOZGUJICUDO-UHFFFAOYSA-N -1 0 419.300 4.189 50 0 HIAARM Cc1c(-c2nnc(C3CC3)o2)n(C)c(C)c1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000065186544 569192178 /nfs/dbraw/zinc/19/21/78/569192178.db2.gz HKCITVJBPAECNV-UHFFFAOYSA-N -1 0 406.895 4.024 50 0 HIAARM CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3cccc(SC)c3)c(C)n2CC)o1 ZINC000065186601 569192192 /nfs/dbraw/zinc/19/21/92/569192192.db2.gz PZQCXDBVSZSDGX-UHFFFAOYSA-N -1 0 420.560 4.260 50 0 HIAARM CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c(C)n2CC)o1 ZINC000065186588 569192203 /nfs/dbraw/zinc/19/22/03/569192203.db2.gz UQCPUFVRNJKIMA-UHFFFAOYSA-N -1 0 408.911 4.191 50 0 HIAARM C/C(=C/C(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC000037019011 569235203 /nfs/dbraw/zinc/23/52/03/569235203.db2.gz AUVZEHZUSMARDI-UKVQZPPCSA-N -1 0 418.902 4.429 50 0 HIAARM Cc1ccc(Nc2nc(Nc3ccc(C)cc3C)nc(N[C@@H](C)C(=O)[O-])n2)c(C)c1 ZINC000007498927 569242704 /nfs/dbraw/zinc/24/27/04/569242704.db2.gz HKXYKYCXTPTWCC-INIZCTEOSA-N -1 0 406.490 4.477 50 0 HIAARM CCc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3ccc(OC)cc3OC)C2)cc1 ZINC000170614236 569247056 /nfs/dbraw/zinc/24/70/56/569247056.db2.gz IVLSYZBVBDFIQQ-OAQYLSRUSA-N -1 0 424.497 4.199 50 0 HIAARM CCc1ccc([C@H]2CC(c3cc(OC)cc(OC)c3)=NN2C(=O)CCCC(=O)[O-])cc1 ZINC000170615689 569247337 /nfs/dbraw/zinc/24/73/37/569247337.db2.gz JYHCUIDSDRKXSZ-JOCHJYFZSA-N -1 0 424.497 4.199 50 0 HIAARM O=C([O-])CCCC(=O)N1N=C(c2cccc(Br)c2)C[C@H]1c1ccccc1 ZINC000170620224 569248694 /nfs/dbraw/zinc/24/86/94/569248694.db2.gz WQXUSFFMKXCILI-SFHVURJKSA-N -1 0 415.287 4.382 50 0 HIAARM O=C(c1cc(-c2nc3ccccc3c(=O)[nH]2)n(Cc2ccccc2)c1)c1ccccc1[O-] ZINC000010025082 569252850 /nfs/dbraw/zinc/25/28/50/569252850.db2.gz CQVFFTRMUIOWFY-UHFFFAOYSA-N -1 0 421.456 4.377 50 0 HIAARM C/C(=C\C(=O)Nc1ccc(SCC(=O)Nc2ccc(Cl)cc2F)cc1)C(=O)[O-] ZINC000013579193 569256332 /nfs/dbraw/zinc/25/63/32/569256332.db2.gz GTQARSBALBLWCJ-DHZHZOJOSA-N -1 0 422.865 4.179 50 0 HIAARM O=C([O-])CCC(=O)N1N=C(c2cccc(Br)c2)C[C@@H]1c1cccc(F)c1 ZINC000089774882 569263441 /nfs/dbraw/zinc/26/34/41/569263441.db2.gz NBLBUUUEPZAYAT-QGZVFWFLSA-N -1 0 419.250 4.131 50 0 HIAARM O=C([O-])[C@@H](CC(=O)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000226813751 569279468 /nfs/dbraw/zinc/27/94/68/569279468.db2.gz FQGZKXZGIKDCQL-JOCHJYFZSA-N -1 0 415.445 4.251 50 0 HIAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCCC(=O)[O-])occ3-c1ccccc1 ZINC000002152382 569290119 /nfs/dbraw/zinc/29/01/19/569290119.db2.gz GHYZWSXMTYEYPS-UHFFFAOYSA-N -1 0 419.433 4.038 50 0 biogenic HIAARM O=C([O-])CCCOc1ccc(CNC(=O)Cc2coc3cc4c(cc23)CCC4)cc1 ZINC000170672673 569297825 /nfs/dbraw/zinc/29/78/25/569297825.db2.gz CFROFGCWKLZSAJ-UHFFFAOYSA-N -1 0 407.466 4.024 50 0 HIAARM CCOC(=O)c1c(-c2cccs2)csc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000007779732 569309313 /nfs/dbraw/zinc/30/93/13/569309313.db2.gz OVFNGQQOWPAJQD-NEPJUHHUSA-N -1 0 405.497 4.259 50 0 HIAARM O=C([O-])c1cc(-c2ccc(C=c3sc4nc5ccccc5n4c3=O)o2)ccc1Cl ZINC000252670546 569319253 /nfs/dbraw/zinc/31/92/53/569319253.db2.gz KYMCFBVZYBLWRS-UHFFFAOYSA-N -1 0 422.849 4.069 50 0 HIAARM Cc1ccc2c(nc3sc(=Cc4ccc(-c5ccccc5C(=O)[O-])o4)c(=O)n32)c1C ZINC000252675400 569319504 /nfs/dbraw/zinc/31/95/04/569319504.db2.gz TZFWFKLCIVBBOL-UHFFFAOYSA-N -1 0 416.458 4.032 50 0 HIAARM O=S(=O)([N-]c1noc2ccc(C(F)(F)F)cc12)c1ccccc1OC(F)F ZINC000253430079 569368753 /nfs/dbraw/zinc/36/87/53/569368753.db2.gz WFZBEYSHJSSARG-UHFFFAOYSA-N -1 0 408.304 4.249 50 0 HIAARM C[C@@H]1C[C@H](C)[C@H]2N(C1)c1ccccc1C[C@@]21C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000008695470 571102526 /nfs/dbraw/zinc/10/25/26/571102526.db2.gz ICFQVZKELAHHIM-ZTBQPFKDSA-N -1 0 403.482 4.203 50 0 HIAARM CC(C)CCN1C(=O)CCc2cc([N-]S(=O)(=O)c3cc(F)ccc3F)ccc21 ZINC000008840916 571124178 /nfs/dbraw/zinc/12/41/78/571124178.db2.gz XNEWNHYEXUQEFV-UHFFFAOYSA-N -1 0 408.470 4.091 50 0 HIAARM Cc1ccc2c(c1)NC(=O)c1cc([N-]S(=O)(=O)c3ccc(F)cc3F)ccc1O2 ZINC000008961304 571189721 /nfs/dbraw/zinc/18/97/21/571189721.db2.gz ARRINYFJHSYJQI-UHFFFAOYSA-N -1 0 416.405 4.432 50 0 HIAARM COc1ccc(-n2c(CCNC(=O)c3ccc(Cl)cc3Cl)n[n-]c2=S)cc1 ZINC000009109083 571222140 /nfs/dbraw/zinc/22/21/40/571222140.db2.gz LKNNCADDIJGALR-UHFFFAOYSA-N -1 0 423.325 4.218 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(CC(C)C)C(=O)C(C)(C)CO3)s1 ZINC000009172704 571234032 /nfs/dbraw/zinc/23/40/32/571234032.db2.gz HPHSUDIRZKTYCH-UHFFFAOYSA-N -1 0 422.572 4.265 50 0 HIAARM CCCN1c2cc([N-]S(=O)(=O)c3ccc(C)s3)ccc2OCC(C)(C)C1=O ZINC000009172014 571234139 /nfs/dbraw/zinc/23/41/39/571234139.db2.gz CNFRPIUTGGETRT-UHFFFAOYSA-N -1 0 408.545 4.019 50 0 HIAARM COC(=O)c1cc(-c2ccc(C=C(Sc3nc(C)n[nH]3)C(=O)[O-])o2)ccc1Cl ZINC000009361083 571251578 /nfs/dbraw/zinc/25/15/78/571251578.db2.gz IZYGYUJDQINTKP-OVCLIPMQSA-N -1 0 419.846 4.031 50 0 HIAARM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000009411694 571255988 /nfs/dbraw/zinc/25/59/88/571255988.db2.gz ACOHERJRJPUYLO-UHFFFAOYSA-N -1 0 422.268 4.153 50 0 HIAARM CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000009645911 571276284 /nfs/dbraw/zinc/27/62/84/571276284.db2.gz SJLAOAFMJISCSY-UHFFFAOYSA-N -1 0 417.508 4.401 50 0 HIAARM CN1c2cc(-c3ccccc3)ccc2S/C1=C1/SC(=S)N(CC(=O)[O-])C1=O ZINC000033295166 571309298 /nfs/dbraw/zinc/30/92/98/571309298.db2.gz GHBDYENAZOGIKS-FBMGVBCBSA-N -1 0 414.533 4.010 50 0 HIAARM CCOC(=O)c1ccc(NC(=O)c2c([O-])c3ccccc3n(CCC(C)C)c2=O)cc1 ZINC000005791041 845142376 /nfs/dbraw/zinc/14/23/76/845142376.db2.gz WJUUVTIAWUGCGD-UHFFFAOYSA-N -1 0 422.481 4.182 50 0 HIAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2C(=O)OCCC)c1=O ZINC000005890753 845151020 /nfs/dbraw/zinc/15/10/20/845151020.db2.gz LQMCRNWRPCAZIM-UHFFFAOYSA-N -1 0 422.481 4.326 50 0 HIAARM CSc1ccc(/C=C(\C(=O)[O-])c2ccc(S(=O)(=O)N3CCCCC3)s2)cc1 ZINC000008685592 845546536 /nfs/dbraw/zinc/54/65/36/845546536.db2.gz GRZVTQLHUMQUSK-SSZFMOIBSA-N -1 0 423.581 4.270 50 0 HIAARM Cc1ccc(C)c(/C=C(\C(=O)[O-])c2ccc(S(=O)(=O)N3CCCCC3)s2)c1 ZINC000012623975 845880239 /nfs/dbraw/zinc/88/02/39/845880239.db2.gz MVAPOZMVGYHALF-LGMDPLHJSA-N -1 0 405.541 4.165 50 0 HIAARM CSc1ccc(/C=C(/C(=O)[O-])c2ccc(S(=O)(=O)N3CCCCC3)s2)cc1 ZINC000033736511 848139071 /nfs/dbraw/zinc/13/90/71/848139071.db2.gz GRZVTQLHUMQUSK-DTQAZKPQSA-N -1 0 423.581 4.270 50 0 HIAARM Cc1ccc(OCC(=O)[O-])c2c1[C@H](C)/C(=C/c1cnn(Cc3ccccc3)c1)C2=O ZINC000170591754 853667622 /nfs/dbraw/zinc/66/76/22/853667622.db2.gz UJOWNNFQLUECKI-DZGUVLCISA-N -1 0 402.450 4.087 50 0 HIAARM CCOc1cc(/C=C\C(=O)c2ccc(OCC(=O)[O-])c(OC)c2)cc(Cl)c1OC ZINC000096401296 520637938 /nfs/dbraw/zinc/63/79/38/520637938.db2.gz RSJCALPASZZYFA-ALCCZGGFSA-N -1 0 420.845 4.115 50 0 HIAARM Cc1ccccc1NC(=O)c1c2c(sc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])CCC2 ZINC000017094006 525263192 /nfs/dbraw/zinc/26/31/92/525263192.db2.gz IXKKCWRYIPXVKD-CABCVRRESA-N -1 0 424.522 4.403 50 0 HIAARM Cc1[nH]c2ccccc2c1[C@@H](C(=O)[O-])N1CCN(c2nsc3ccccc32)CC1 ZINC000032101820 525448104 /nfs/dbraw/zinc/44/81/04/525448104.db2.gz CUFGAERXPRSDSS-FQEVSTJZSA-N -1 0 406.511 4.034 50 0 HIAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)Nc4ccccc4)c3=O)c2c1 ZINC000020331289 525482038 /nfs/dbraw/zinc/48/20/38/525482038.db2.gz VLQNTDVLOGANDH-UHFFFAOYSA-N -1 0 422.510 4.358 50 0 HIAARM CSc1cccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3cccs3)cc2)c1 ZINC000032407205 526116186 /nfs/dbraw/zinc/11/61/86/526116186.db2.gz OZZNUTJVZASNEQ-UHFFFAOYSA-N -1 0 418.565 4.452 50 0 HIAARM O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)cc2)ccc1N1CCCCCCC1 ZINC000032962166 526352072 /nfs/dbraw/zinc/35/20/72/526352072.db2.gz GINKGQOOEARZKQ-UHFFFAOYSA-N -1 0 406.479 4.095 50 0 HIAARM Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)cc1C ZINC000000677090 557053512 /nfs/dbraw/zinc/05/35/12/557053512.db2.gz MJXOVQSRLNNIKX-UHFFFAOYSA-N -1 0 424.478 4.055 50 0 HIAARM CCOc1ccc2sc([N-]C(NC(C)=O)(C(F)(F)F)C(F)(F)F)nc2c1 ZINC000000708330 557064899 /nfs/dbraw/zinc/06/48/99/557064899.db2.gz UVVMKCPYWCVBEL-UHFFFAOYSA-N -1 0 401.332 4.064 50 0 HIAARM Cc1cc(C)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)c(C)c1 ZINC000000791389 557081682 /nfs/dbraw/zinc/08/16/82/557081682.db2.gz OZWHMXMDYPMERJ-UHFFFAOYSA-N -1 0 424.526 4.072 50 0 HIAARM Cc1ccc(OCC(=O)Nc2cc(Br)c([O-])c(Br)c2)cc1 ZINC000000838304 557097156 /nfs/dbraw/zinc/09/71/56/557097156.db2.gz GBONYGPQPZMXIL-UHFFFAOYSA-N -1 0 415.081 4.243 50 0 HIAARM Cc1nc2sc([C@@H](c3ccc(F)c(F)c3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000022627454 557113187 /nfs/dbraw/zinc/11/31/87/557113187.db2.gz YOMKSEHCPBOFOE-GOSISDBHSA-N -1 0 412.465 4.231 50 0 HIAARM Cc1c2ccccc2oc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000908232 557115743 /nfs/dbraw/zinc/11/57/43/557115743.db2.gz DKVAVHKIYHXSIH-UHFFFAOYSA-N -1 0 413.480 4.251 50 0 HIAARM COc1ccc2c(c1)c(C(=O)[O-])c(C)n2-c1ccc(I)cc1 ZINC000000999248 557139114 /nfs/dbraw/zinc/13/91/14/557139114.db2.gz IHLORUZHDBGVDO-UHFFFAOYSA-N -1 0 407.207 4.250 50 0 HIAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)c1C ZINC000000999937 557139565 /nfs/dbraw/zinc/13/95/65/557139565.db2.gz FCRYGMINPWORQO-UHFFFAOYSA-N -1 0 420.878 4.390 50 0 HIAARM O=S(=O)([N-]c1ccc(Cc2ccncc2)cc1)c1ccc(Br)s1 ZINC000001001479 557139818 /nfs/dbraw/zinc/13/98/18/557139818.db2.gz ATAYERQFWXOBIJ-UHFFFAOYSA-N -1 0 409.330 4.297 50 0 HIAARM O=C([O-])CC1(CC(=O)Nc2ccc(I)cc2F)CCCCC1 ZINC000001041553 557153778 /nfs/dbraw/zinc/15/37/78/557153778.db2.gz FQYFJQCMMPCPNM-UHFFFAOYSA-N -1 0 419.234 4.184 50 0 HIAARM O=S(=O)([N-]c1ncccc1OCc1cc(F)cc(F)c1)c1ccc(F)c(F)c1 ZINC000001043461 557154864 /nfs/dbraw/zinc/15/48/64/557154864.db2.gz PFHSDEAMAZOUGG-UHFFFAOYSA-N -1 0 412.364 4.018 50 0 HIAARM COc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC2 ZINC000001115787 557186910 /nfs/dbraw/zinc/18/69/10/557186910.db2.gz JUMQGPBIBRKJLK-UHFFFAOYSA-N -1 0 422.506 4.237 50 0 HIAARM COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000001159923 557217550 /nfs/dbraw/zinc/21/75/50/557217550.db2.gz FJRUZADTHGXIPL-UHFFFAOYSA-N -1 0 414.870 4.327 50 0 HIAARM O=C(Nc1ccc(F)cc1)c1ccc(F)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000001177367 557228448 /nfs/dbraw/zinc/22/84/48/557228448.db2.gz DFXJHBJPNVJAJF-UHFFFAOYSA-N -1 0 406.385 4.157 50 0 HIAARM CCN1C(=O)S/C(=C/c2cccc(OC)c2OCc2cccc(C(=O)[O-])c2)C1=O ZINC000004695180 557582129 /nfs/dbraw/zinc/58/21/29/557582129.db2.gz SPMDRYCUCVTIJK-GZTJUZNOSA-N -1 0 413.451 4.029 50 0 HIAARM COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000004845057 557605493 /nfs/dbraw/zinc/60/54/93/557605493.db2.gz QYCRNMZTLHBBCS-UHFFFAOYSA-N -1 0 414.870 4.327 50 0 HIAARM Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000002761380 557755362 /nfs/dbraw/zinc/75/53/62/557755362.db2.gz VXODYQDSLYFXKR-KGLIPLIRSA-N -1 0 422.312 4.461 50 0 HIAARM Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000002761377 557755461 /nfs/dbraw/zinc/75/54/61/557755461.db2.gz VXODYQDSLYFXKR-UONOGXRCSA-N -1 0 422.312 4.461 50 0 HIAARM COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000008444999 557790230 /nfs/dbraw/zinc/79/02/30/557790230.db2.gz CPOHMIYNVZTGNN-ZIAGYGMSSA-N -1 0 419.886 4.461 50 0 HIAARM O=C1NC(c2ccccc2)=N[C@@]1([N-]c1ncc(C(F)(F)F)cc1Cl)C(F)(F)F ZINC000012376075 558391793 /nfs/dbraw/zinc/39/17/93/558391793.db2.gz ICUAIUACARGJDZ-AWEZNQCLSA-N -1 0 422.716 4.001 50 0 HIAARM COc1cccc(-c2[nH]nc3nc(-c4cc(OC)ccc4OC)cc(C(=O)[O-])c32)c1 ZINC000013363584 558530802 /nfs/dbraw/zinc/53/08/02/558530802.db2.gz MHOQTCUSCIQGAZ-UHFFFAOYSA-N -1 0 405.410 4.016 50 0 HIAARM O=C1[N-]C(=O)/C(=C\c2ccc(OCc3cccc4ccccc43)c(Br)c2)N1 ZINC000013899516 558601114 /nfs/dbraw/zinc/60/11/14/558601114.db2.gz PQDQINKXJZENLB-WOJGMQOQSA-N -1 0 423.266 4.362 50 0 HIAARM CCOC(=O)c1c(C2CC2)csc1NC(=O)C[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000025208151 558634612 /nfs/dbraw/zinc/63/46/12/558634612.db2.gz CEJKHZLIZCAXAS-CQSZACIVSA-N -1 0 405.447 4.138 50 0 HIAARM COc1ccc(-c2nonc2[N-]C(=O)c2cc(-c3ccc(C)c(F)c3)on2)cc1OC ZINC000027584700 558676339 /nfs/dbraw/zinc/67/63/39/558676339.db2.gz WKNXTCNLWSMCMM-UHFFFAOYSA-N -1 0 424.388 4.109 50 0 HIAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@H]2c1ccc2c(c1)OCO2 ZINC000015081503 558719165 /nfs/dbraw/zinc/71/91/65/558719165.db2.gz WUZSUVGWWOXESM-ZDUSSCGKSA-N -1 0 411.410 4.455 50 0 HIAARM CCOc1cc([C@H]2N[C@H](C(=O)[O-])CS2)ccc1OCc1c(F)cccc1Cl ZINC000004577342 558755978 /nfs/dbraw/zinc/75/59/78/558755978.db2.gz QIENHHMTFBRFLM-YJBOKZPZSA-N -1 0 411.882 4.245 50 0 HIAARM CC[C@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)Nc2ccccc2)C1 ZINC000017081931 558813821 /nfs/dbraw/zinc/81/38/21/558813821.db2.gz ROZYJRXKMLVLSQ-ZDUSSCGKSA-N -1 0 400.500 4.319 50 0 HIAARM O=C([O-])CCCC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCCC2 ZINC000017089974 558818400 /nfs/dbraw/zinc/81/84/00/558818400.db2.gz SQDJNNHZBLJCFT-UHFFFAOYSA-N -1 0 414.527 4.140 50 0 HIAARM CC[C@@H]1CCc2c(sc(NC(=O)C[C@@H](C)CC(=O)[O-])c2C(=O)NC2CCCC2)C1 ZINC000017092408 558820843 /nfs/dbraw/zinc/82/08/43/558820843.db2.gz CRBROQWWBFUEQM-ZIAGYGMSSA-N -1 0 420.575 4.375 50 0 HIAARM Cc1cccc(NC(=O)c2c3c(sc2NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])CCC3)c1 ZINC000017094002 558822361 /nfs/dbraw/zinc/82/23/61/558822361.db2.gz DAKDRZPZWWASAW-CVEARBPZSA-N -1 0 424.522 4.403 50 0 HIAARM CC1(C)Cc2nc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)sc2C(=O)C1 ZINC000018209776 558833584 /nfs/dbraw/zinc/83/35/84/558833584.db2.gz GGZBFOPAVLPBQU-UHFFFAOYSA-N -1 0 405.328 4.406 50 0 HIAARM O=S(=O)(NCCc1cccs1)c1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000068741305 558864667 /nfs/dbraw/zinc/86/46/67/558864667.db2.gz PFFXBHLMQBLLCO-UHFFFAOYSA-N -1 0 403.369 4.307 50 0 HIAARM CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1-c1ccccc1Cl ZINC000004682012 558894934 /nfs/dbraw/zinc/89/49/34/558894934.db2.gz AGEPMYFWGOTSQR-UHFFFAOYSA-N -1 0 416.890 4.047 50 0 HIAARM O=C(Nc1cccnc1)c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1Cl ZINC000058264406 558915317 /nfs/dbraw/zinc/91/53/17/558915317.db2.gz LJQRNTMATHQBIY-UHFFFAOYSA-N -1 0 423.828 4.066 50 0 HIAARM Nc1c2cc3c(nc2sc1C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)CCCC3 ZINC000022079212 558990080 /nfs/dbraw/zinc/99/00/80/558990080.db2.gz LXGXFAHDVDRRCG-UHFFFAOYSA-N -1 0 401.875 4.361 50 0 HIAARM Cc1ccc(S(=O)(=O)C2=C([O-])C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccccc2)cc1 ZINC000023119180 559013581 /nfs/dbraw/zinc/01/35/81/559013581.db2.gz LCWYTBASGRMNIG-HXUWFJFHSA-N -1 0 423.465 4.466 50 0 HIAARM O=S(=O)([N-]c1ccc(F)cc1)c1ccccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000033307118 559051889 /nfs/dbraw/zinc/05/18/89/559051889.db2.gz LTKQRJBDTDPJHE-UHFFFAOYSA-N -1 0 413.405 4.483 50 0 HIAARM CC(C)(C)n1c(=O)c(C(=O)Nc2ccccc2Br)c([O-])c2ccccc21 ZINC000100704951 559138076 /nfs/dbraw/zinc/13/80/76/559138076.db2.gz UNJQKELASPYGCJ-UHFFFAOYSA-N -1 0 415.287 4.477 50 0 HIAARM O=C(CSc1nnc([N-]C(=O)c2cc(-c3ccccc3)on2)s1)c1ccccc1 ZINC000011917168 559267925 /nfs/dbraw/zinc/26/79/25/559267925.db2.gz FRUFLBYUDNEFEO-UHFFFAOYSA-N -1 0 422.491 4.420 50 0 HIAARM O=C(OCc1nc(=O)c2sccc2[n-]1)c1cc(-c2ccco2)nc2ccccc21 ZINC000005172071 559287749 /nfs/dbraw/zinc/28/77/49/559287749.db2.gz RRYKUNJRVKOJCJ-UHFFFAOYSA-N -1 0 403.419 4.150 50 0 HIAARM CCCOc1ccc(-c2cccc([N-]S(=O)(=O)c3ccccc3Cl)c2)nn1 ZINC000017286395 560705674 /nfs/dbraw/zinc/70/56/74/560705674.db2.gz ZLWRLMSIHYEYDW-UHFFFAOYSA-N -1 0 403.891 4.387 50 0 HIAARM Cc1cccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3/C=C/c2ccccc2)c1 ZINC000101298361 560791186 /nfs/dbraw/zinc/79/11/86/560791186.db2.gz KNAWVPGVPGFRGZ-ZGKFYVQTSA-N -1 0 400.438 4.092 50 0 HIAARM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)c(=O)[nH]c1=O ZINC000101495284 560796272 /nfs/dbraw/zinc/79/62/72/560796272.db2.gz KYVDGAQHQTXTEC-LJQANCHMSA-N -1 0 421.522 4.400 50 0 HIAARM Cc1ccc(Cc2c(C)nc3[n-]c(CNc4cc(Cl)ccc4C)nn3c2=O)cc1 ZINC000101802950 560802118 /nfs/dbraw/zinc/80/21/18/560802118.db2.gz FFMCLSVGTHOCNB-UHFFFAOYSA-N -1 0 407.905 4.199 50 0 HIAARM Cc1ccc(NCc2nn3c([n-]2)nc(C)c(Cc2ccc(Cl)cc2)c3=O)cc1C ZINC000101803117 560802252 /nfs/dbraw/zinc/80/22/52/560802252.db2.gz XPGSENNOLDIIBP-UHFFFAOYSA-N -1 0 407.905 4.199 50 0 HIAARM Cc1ccc(-n2nc3c4cc(C(=O)Nc5ccc(O)cc5)ccc4[n-]cc-3c2=O)cc1C ZINC000101827932 560802685 /nfs/dbraw/zinc/80/26/85/560802685.db2.gz CNCUDYSODCHDBL-UHFFFAOYSA-N -1 0 424.460 4.393 50 0 HIAARM Cc1nc(-n2[n-]c(C)c(CCC(=O)Nc3cccc(Cl)c3C)c2=O)sc1C ZINC000101833340 560803169 /nfs/dbraw/zinc/80/31/69/560803169.db2.gz QKEODYOSEXDNJO-UHFFFAOYSA-N -1 0 404.923 4.493 50 0 HIAARM Cc1nn2c([n-]1)nc(=O)c1c2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000102591378 560817477 /nfs/dbraw/zinc/81/74/77/560817477.db2.gz NXHQGWLNWGKKNE-XLIONFOSSA-N -1 0 423.476 4.334 50 0 HIAARM CCc1ccccc1[N-]S(=O)(=O)c1c[nH]c(-c2nnc(-c3ccc(F)cc3)o2)c1 ZINC000046914509 560879258 /nfs/dbraw/zinc/87/92/58/560879258.db2.gz GSFZSUDZRRSBEX-UHFFFAOYSA-N -1 0 412.446 4.234 50 0 HIAARM Nc1c(-c2n[n-]c(=S)n2-c2ccc(Cl)cc2)nnn1-c1ccc(Cl)cc1 ZINC000108803077 568419402 /nfs/dbraw/zinc/41/94/02/568419402.db2.gz INUJFYNIDQKZMY-UHFFFAOYSA-N -1 0 404.286 4.067 50 0 HIAARM CCCn1nc(C)cc1CN(C)c1ccc(NC(=O)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000046053634 568425388 /nfs/dbraw/zinc/42/53/88/568425388.db2.gz LFCBGSHZXMHPDW-UHFFFAOYSA-N -1 0 420.513 4.497 50 0 HIAARM Cn1cnc(S(=O)(=O)[N-]c2cccc(Nc3nc4ccccc4s3)c2)c1Cl ZINC000048310149 568436569 /nfs/dbraw/zinc/43/65/69/568436569.db2.gz LUVNEZPDSIBMDV-UHFFFAOYSA-N -1 0 419.919 4.228 50 0 HIAARM CCn1c2ccsc2c([O-])c(C(=O)Nc2ccc(C)cc2Br)c1=O ZINC000049409509 568449683 /nfs/dbraw/zinc/44/96/83/568449683.db2.gz RXQPLVDOWQVQQR-UHFFFAOYSA-N -1 0 407.289 4.112 50 0 HIAARM CN1C(=O)c2cccc3c(S(=O)(=O)[N-]c4ccc5ccccc5c4)ccc(c32)C1=O ZINC000094993267 568593979 /nfs/dbraw/zinc/59/39/79/568593979.db2.gz LHYVERSOXAOUMQ-UHFFFAOYSA-N -1 0 416.458 4.020 50 0 HIAARM O=S(=O)(Cc1ccc(Cl)cc1Cl)c1nnc(-c2ccccc2Cl)[n-]1 ZINC000095116155 568596074 /nfs/dbraw/zinc/59/60/74/568596074.db2.gz TUIMUVAYNBYADF-UHFFFAOYSA-N -1 0 402.690 4.406 50 0 HIAARM Cc1cc(Br)c([O-])c(C(=O)N2CCC(N(C)c3ccccc3)CC2)c1 ZINC000095365178 568602119 /nfs/dbraw/zinc/60/21/19/568602119.db2.gz GAFBHNIXRUXYKF-UHFFFAOYSA-N -1 0 403.320 4.204 50 0 HIAARM Cc1cc(OCC(=O)[O-])ccc1NC(=O)Cc1csc(-c2cccc(Cl)c2)n1 ZINC000095425251 568607959 /nfs/dbraw/zinc/60/79/59/568607959.db2.gz YDKFORPAPPKGEU-UHFFFAOYSA-N -1 0 416.886 4.417 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3cc(C)no3)ccc2OC)cc1Cl ZINC000020977282 568653908 /nfs/dbraw/zinc/65/39/08/568653908.db2.gz ZYWKMJUGSCPLDF-UHFFFAOYSA-N -1 0 408.863 4.121 50 0 HIAARM O=c1[n-]nc(C2CCN(c3nc(C4CC4)nc4scc(-c5ccccc5)c43)CC2)o1 ZINC000225813413 568676569 /nfs/dbraw/zinc/67/65/69/568676569.db2.gz PLHVCYQIRIIMPZ-UHFFFAOYSA-N -1 0 419.510 4.296 50 0 HIAARM Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NCCCCCCC(=O)[O-] ZINC000095989484 568677540 /nfs/dbraw/zinc/67/75/40/568677540.db2.gz JGEVAHVVEROCCD-UHFFFAOYSA-N -1 0 409.939 4.078 50 0 HIAARM CCn1c(=O)c(/C=C\c2ccc(Br)s2)nc2cc(C(=O)[O-])ccc21 ZINC000096124650 568701003 /nfs/dbraw/zinc/70/10/03/568701003.db2.gz YKQQXMOGPZQGLG-XQRVVYSFSA-N -1 0 405.273 4.109 50 0 HIAARM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)Nc1cccc(CC)c1 ZINC000240786121 568730522 /nfs/dbraw/zinc/73/05/22/568730522.db2.gz IANPXHUOASZRPI-OAQYLSRUSA-N -1 0 406.530 4.494 50 0 HIAARM COc1cc2c(cc1[N-]S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)oc1ccccc12 ZINC000018707218 568738880 /nfs/dbraw/zinc/73/88/80/568738880.db2.gz OCRISJHKNUENPO-UHFFFAOYSA-N -1 0 422.462 4.280 50 0 HIAARM CSc1ccccc1[N-]S(=O)(=O)c1c(C)[nH]c(-c2nnc(C3CC3)o2)c1C ZINC000096379500 568740897 /nfs/dbraw/zinc/74/08/97/568740897.db2.gz MCFZJKPROGLVNB-UHFFFAOYSA-N -1 0 404.517 4.082 50 0 HIAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c1-c1nnc(C2CCC2)o1 ZINC000096379714 568741495 /nfs/dbraw/zinc/74/14/95/568741495.db2.gz ZOPKSPPIBXTMRF-UHFFFAOYSA-N -1 0 408.430 4.028 50 0 HIAARM CCCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4)[nH]c(=O)c32)cc1 ZINC000086056879 568753809 /nfs/dbraw/zinc/75/38/09/568753809.db2.gz AXCULYAGAPFKOW-GOSISDBHSA-N -1 0 421.522 4.325 50 0 HIAARM Cc1ccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(C)cc3C)c2)c(C)c1 ZINC000021931922 568761810 /nfs/dbraw/zinc/76/18/10/568761810.db2.gz PIGQHCICZKBCBJ-UHFFFAOYSA-N -1 0 409.511 4.368 50 0 HIAARM COc1ccc(CNC(=O)CCCCCn2c(=O)c3sccc3[n-]c2=S)cc1 ZINC000002925565 568817356 /nfs/dbraw/zinc/81/73/56/568817356.db2.gz JQBSHQYCEHXJAE-UHFFFAOYSA-N -1 0 417.556 4.006 50 0 HIAARM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cccc(NC(=O)c3ccco3)c2)c1 ZINC000012535995 568845426 /nfs/dbraw/zinc/84/54/26/568845426.db2.gz VNDYBOWPBDCFDE-UHFFFAOYSA-N -1 0 407.451 4.189 50 0 HIAARM O=C1CCCN1c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000012560798 568858097 /nfs/dbraw/zinc/85/80/97/568858097.db2.gz OFGXKITVGOYLOR-UHFFFAOYSA-N -1 0 418.824 4.286 50 0 HIAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1C ZINC000003191465 568860776 /nfs/dbraw/zinc/86/07/76/568860776.db2.gz AWHNIWNIDVXYJT-UHFFFAOYSA-N -1 0 411.439 4.091 50 0 HIAARM CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)Nc3ccc(C(=O)[O-])cc3C)cc2)cc1 ZINC000012604981 568870727 /nfs/dbraw/zinc/87/07/27/568870727.db2.gz FKKSBMQZQGHXPR-UHFFFAOYSA-N -1 0 424.478 4.119 50 0 HIAARM Cc1cc(=O)c(C(=O)[O-])c2n1-c1ccccc1S[C@H](c1ccc3nccnc3c1)C2 ZINC000299759289 568873073 /nfs/dbraw/zinc/87/30/73/568873073.db2.gz PZHCZSOMZNVDDJ-NRFANRHFSA-N -1 0 415.474 4.177 50 0 HIAARM O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(Sc3ccccn3)c(Cl)c2)c1 ZINC000058313999 568911249 /nfs/dbraw/zinc/91/12/49/568911249.db2.gz PMNZFOUGOKXXTB-UHFFFAOYSA-N -1 0 420.899 4.385 50 0 HIAARM COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000263618586 568911996 /nfs/dbraw/zinc/91/19/96/568911996.db2.gz UMQYGQKJOQVHCE-UHFFFAOYSA-N -1 0 409.435 4.281 50 0 HIAARM O=C([O-])CSCC(=O)Nc1cc(OCc2ccccc2)c(Cl)cc1Cl ZINC000001397919 568925821 /nfs/dbraw/zinc/92/58/21/568925821.db2.gz DIVHOVPWDHYKED-UHFFFAOYSA-N -1 0 400.283 4.329 50 0 HIAARM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2cccc(N3CCOC3=O)c2)c1Cl ZINC000031720002 568929564 /nfs/dbraw/zinc/92/95/64/568929564.db2.gz FFWBZQFCOBXXNJ-UHFFFAOYSA-N -1 0 415.298 4.368 50 0 HIAARM CCc1ccc([C@@H](NS(=O)(=O)c2ccsc2C(=O)OC)c2cccs2)cc1 ZINC000012746550 568932595 /nfs/dbraw/zinc/93/25/95/568932595.db2.gz RNDDQFWWAQYXKX-QGZVFWFLSA-N -1 0 421.565 4.227 50 0 HIAARM O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000084387961 568948397 /nfs/dbraw/zinc/94/83/97/568948397.db2.gz FWNRNFCXNSODQP-AWEZNQCLSA-N -1 0 419.915 4.298 50 0 HIAARM COC(=O)c1c(=O)c2cc(C)ccc2[n-]c1SCC(=O)Nc1ccccc1Cl ZINC000015731508 568982031 /nfs/dbraw/zinc/98/20/31/568982031.db2.gz VFJLYDYYGRPTDV-UHFFFAOYSA-N -1 0 416.886 4.007 50 0 HIAARM CCOc1cc2c(cc1OCC)[C@H](CC(=O)[O-])N(C(=O)Nc1ccc(F)cc1)CC2 ZINC000015781832 569002734 /nfs/dbraw/zinc/00/27/34/569002734.db2.gz ZTUBEQUDSHKUGI-SFHVURJKSA-N -1 0 416.449 4.229 50 0 HIAARM COc1ccc(N[C@H]([N-]C(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)cc1 ZINC000003137455 569012497 /nfs/dbraw/zinc/01/24/97/569012497.db2.gz DDIRNQDNJGJOCQ-MRVPVSSYSA-N -1 0 414.931 4.290 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2cccc(F)c2)ccc1C ZINC000006176866 569017510 /nfs/dbraw/zinc/01/75/10/569017510.db2.gz WHKIVWYUIBXKNR-UHFFFAOYSA-N -1 0 414.458 4.196 50 0 HIAARM CCc1ccc(NCc2nn3c([n-]2)nc(C)c(Cc2ccc(Cl)cc2)c3=O)cc1 ZINC000101803070 569018957 /nfs/dbraw/zinc/01/89/57/569018957.db2.gz SWBULKSLXBSRAK-UHFFFAOYSA-N -1 0 407.905 4.145 50 0 HIAARM C[C@H](Cc1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000012916214 569022545 /nfs/dbraw/zinc/02/25/45/569022545.db2.gz IYTRLQMUKKKNMY-CQSZACIVSA-N -1 0 421.565 4.330 50 0 HIAARM Cn1c(=O)c(C(=O)N[C@@H]2CCCc3c4cccc(Cl)c4[nH]c32)c([O-])c2ccccc21 ZINC000575443169 569028379 /nfs/dbraw/zinc/02/83/79/569028379.db2.gz KGXKWZYLWAMHFV-MRXNPFEDSA-N -1 0 421.884 4.186 50 0 HIAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccncc2)c1C ZINC000006244580 569034619 /nfs/dbraw/zinc/03/46/19/569034619.db2.gz RQUKXGDSAMACSH-UHFFFAOYSA-N -1 0 423.538 4.046 50 0 HIAARM C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C ZINC000003860869 569060688 /nfs/dbraw/zinc/06/06/88/569060688.db2.gz OHXPGWPVLFPUSM-KLRNGDHRSA-N -1 0 402.531 4.073 50 0 biogenic,world HIAARM O=C(NCCc1ccc(Cl)cc1)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000006561337 569066108 /nfs/dbraw/zinc/06/61/08/569066108.db2.gz WAANHPXEQVRYST-UHFFFAOYSA-N -1 0 409.795 4.223 50 0 HIAARM Cc1ccc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC(C)CC2)c1 ZINC000064580628 569068502 /nfs/dbraw/zinc/06/85/02/569068502.db2.gz YVBODVORUNQNLS-UHFFFAOYSA-N -1 0 402.516 4.039 50 0 HIAARM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c2ccccc2n1 ZINC000089582951 569070558 /nfs/dbraw/zinc/07/05/58/569070558.db2.gz LYTYXHPRNVBWSK-UHFFFAOYSA-N -1 0 424.507 4.053 50 0 HIAARM COc1ccc(-c2[nH]nc3nc(-c4cccc(OC)c4OC)cc(C(=O)[O-])c32)cc1 ZINC000006748985 569108866 /nfs/dbraw/zinc/10/88/66/569108866.db2.gz WUJJQWQLPREBLO-UHFFFAOYSA-N -1 0 405.410 4.016 50 0 HIAARM COc1ccc([C@H]2[C@@H](C(=O)[O-])c3ccccc3C(=O)N2Cc2ccccc2OC)cc1 ZINC000006778495 569118887 /nfs/dbraw/zinc/11/88/87/569118887.db2.gz UZVASXKIGCGXIR-GOTSBHOMSA-N -1 0 417.461 4.269 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(C)cc3)c2C)cc1Cl ZINC000064947035 569129175 /nfs/dbraw/zinc/12/91/75/569129175.db2.gz GCJDTNXGFFRCPL-UHFFFAOYSA-N -1 0 405.907 4.260 50 0 HIAARM COc1cc(-c2ccno2)ccc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1 ZINC000064979591 569141002 /nfs/dbraw/zinc/14/10/02/569141002.db2.gz HSNSNXUEGXJHDD-UHFFFAOYSA-N -1 0 414.361 4.050 50 0 HIAARM COc1ccc(OC)c([C@@H](c2sc3nc(C)nn3c2[O-])N(C)Cc2ccccc2)c1 ZINC000036370379 569154106 /nfs/dbraw/zinc/15/41/06/569154106.db2.gz JVXZROOCBYNFJN-IBGZPJMESA-N -1 0 424.526 4.043 50 0 HIAARM COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1ccc(C)c(F)c1 ZINC000006916878 569181169 /nfs/dbraw/zinc/18/11/69/569181169.db2.gz WDGXEPSLUZDKIZ-UHFFFAOYSA-N -1 0 405.472 4.450 50 0 HIAARM COc1ccc(NC(=O)c2c(=O)[nH]c3sc4c(c3c2[O-])CCCC4)cc1Cl ZINC000065150354 569184832 /nfs/dbraw/zinc/18/48/32/569184832.db2.gz HJBFIRAFWHTXDA-UHFFFAOYSA-N -1 0 404.875 4.088 50 0 HIAARM CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c(C)n2CC)o1 ZINC000065186587 569192190 /nfs/dbraw/zinc/19/21/90/569192190.db2.gz YDZAQYFIKYRDPV-UHFFFAOYSA-N -1 0 408.911 4.191 50 0 HIAARM CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)[N-]c2ccccc2C)c1C ZINC000065194610 569192786 /nfs/dbraw/zinc/19/27/86/569192786.db2.gz DGPMFOWIOZIEAO-UHFFFAOYSA-N -1 0 400.504 4.161 50 0 HIAARM COC(=O)c1c(=O)c2ccccc2[n-]c1SCC(=O)Nc1cccc(Cl)c1C ZINC000006974084 569193057 /nfs/dbraw/zinc/19/30/57/569193057.db2.gz IQCIORYQNBACGW-UHFFFAOYSA-N -1 0 416.886 4.007 50 0 HIAARM CC(=O)c1ccc(NC(=O)c2c([O-])c3sccc3n(Cc3ccccc3)c2=O)cc1 ZINC000065215644 569197576 /nfs/dbraw/zinc/19/75/76/569197576.db2.gz QGWSWDHWZMNPIP-UHFFFAOYSA-N -1 0 418.474 4.272 50 0 HIAARM COc1ccccc1-c1coc2c(c([O-])cc3c2[C@H](c2ccncc2)CC(=O)O3)c1=O ZINC000524729721 569211878 /nfs/dbraw/zinc/21/18/78/569211878.db2.gz GQONJKGFWFTFAV-HNNXBMFYSA-N -1 0 415.401 4.010 50 0 HIAARM COc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1COc1ccc(Cl)cc1Cl ZINC000036623602 569212682 /nfs/dbraw/zinc/21/26/82/569212682.db2.gz IFOUOVWGPDUSPC-YOEHRIQHSA-N -1 0 414.310 4.369 50 0 HIAARM COc1cc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(OC)cc1Cl ZINC000007387471 569236117 /nfs/dbraw/zinc/23/61/17/569236117.db2.gz RUUGPTYVMWBSNM-UHFFFAOYSA-N -1 0 411.785 4.057 50 0 HIAARM C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1n[n-]c2ccccc2c1=O)C1CC1 ZINC000170624400 569249469 /nfs/dbraw/zinc/24/94/69/569249469.db2.gz NBEYVOMADSVNOB-GFCCVEGCSA-N -1 0 401.388 4.308 50 0 HIAARM C[C@@H](Sc1ccc(NC(=O)CCC(=O)[O-])cc1)C(=O)Nc1cnc2ccccc2c1 ZINC000013578963 569256262 /nfs/dbraw/zinc/25/62/62/569256262.db2.gz QYXGIIVCARGTNH-CQSZACIVSA-N -1 0 423.494 4.157 50 0 HIAARM CCc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)NCc3cccs3)cc2)s1 ZINC000013850385 569258060 /nfs/dbraw/zinc/25/80/60/569258060.db2.gz FCEVVOAMMJEASG-UHFFFAOYSA-N -1 0 420.581 4.032 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3cc(C)ccc3C)cs2)cc1 ZINC000017051046 569272542 /nfs/dbraw/zinc/27/25/42/569272542.db2.gz SXARJXLAGXFEOT-UHFFFAOYSA-N -1 0 415.540 4.050 50 0 HIAARM Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCc2ccc(F)cc2)c1 ZINC000017250177 569276968 /nfs/dbraw/zinc/27/69/68/569276968.db2.gz GMQJNBNYURTFDJ-UHFFFAOYSA-N -1 0 422.485 4.490 50 0 HIAARM O=C([O-])[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc2c(c1)CCO2 ZINC000226772600 569279408 /nfs/dbraw/zinc/27/94/08/569279408.db2.gz APKKHGYKJQFKLD-QHCPKHFHSA-N -1 0 415.445 4.286 50 0 HIAARM CCCC[C@H](NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)[O-] ZINC000002103550 569281727 /nfs/dbraw/zinc/28/17/27/569281727.db2.gz PLRVORZITXZFGM-SFHVURJKSA-N -1 0 413.470 4.157 50 0 biogenic HIAARM CCOC(=O)c1c(-c2cccs2)csc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000007779735 569309348 /nfs/dbraw/zinc/30/93/48/569309348.db2.gz OVFNGQQOWPAJQD-NWDGAFQWSA-N -1 0 405.497 4.259 50 0 HIAARM Cn1c(SCC(=O)[O-])nnc1-c1cccc(NC(=O)c2cccc3ccccc32)c1 ZINC000002347123 569379384 /nfs/dbraw/zinc/37/93/84/569379384.db2.gz OAOYGJWGIZRKRQ-UHFFFAOYSA-N -1 0 418.478 4.064 50 0 HIAARM CC(C)CCNC(=O)Nc1ccc2sc([N-]S(=O)(=O)c3ccccc3)nc2c1 ZINC000013361430 569411836 /nfs/dbraw/zinc/41/18/36/569411836.db2.gz MBYZRDNJBHLKLZ-UHFFFAOYSA-N -1 0 418.544 4.265 50 0 HIAARM CCOc1cc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3cccc(OC)c3)n2)ccc1O ZINC000013363596 569412045 /nfs/dbraw/zinc/41/20/45/569412045.db2.gz XTHACLOBBUEGQG-UHFFFAOYSA-N -1 0 405.410 4.103 50 0 HIAARM Cc1c(Nc2c(C(=O)[O-])cnc3c(C)c(Cl)ccc32)c(=O)n(-c2ccccc2)n1C ZINC000019793889 569430014 /nfs/dbraw/zinc/43/00/14/569430014.db2.gz RYPYGUSUYBOGAP-UHFFFAOYSA-N -1 0 422.872 4.436 50 0 HIAARM Cc1cc(C)nc([N-]c2n[nH]c(-c3ccc(NC(=O)NC4CCCCC4)cc3)n2)n1 ZINC000008560179 571081160 /nfs/dbraw/zinc/08/11/60/571081160.db2.gz MRPKZULWJNIFIO-UHFFFAOYSA-N -1 0 406.494 4.076 50 0 HIAARM O=C([O-])c1ccc(CNC(=O)CSCCOc2c(Cl)cccc2Cl)cc1 ZINC000008735610 571109888 /nfs/dbraw/zinc/10/98/88/571109888.db2.gz AUSZUSWVFYZMRT-UHFFFAOYSA-N -1 0 414.310 4.120 50 0 HIAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(F)cc2)cc1 ZINC000008836425 571123021 /nfs/dbraw/zinc/12/30/21/571123021.db2.gz XRSYPMQFRYCMQI-UHFFFAOYSA-N -1 0 424.457 4.322 50 0 HIAARM CCCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3cc(Cl)ccc3OC)ccc21 ZINC000008840785 571123832 /nfs/dbraw/zinc/12/38/32/571123832.db2.gz QKBINCDIJXDAJK-UHFFFAOYSA-N -1 0 422.934 4.229 50 0 HIAARM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2CC(C)C ZINC000008840868 571124136 /nfs/dbraw/zinc/12/41/36/571124136.db2.gz WNMJHLOISCWVFO-UHFFFAOYSA-N -1 0 416.543 4.130 50 0 HIAARM COc1ccc(C)cc1NC(=O)[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000008850719 571126849 /nfs/dbraw/zinc/12/68/49/571126849.db2.gz ANXFGAABLYTXOR-QFIPXVFZSA-N -1 0 404.466 4.171 50 0 HIAARM CN(Cc1cccc(F)c1)C(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccco1)c2=O ZINC000009121423 571225673 /nfs/dbraw/zinc/22/56/73/571225673.db2.gz XYZUXHPKTMOIKD-UHFFFAOYSA-N -1 0 423.469 4.112 50 0 HIAARM COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)c(C(=O)[O-])c1OC ZINC000009216575 571237393 /nfs/dbraw/zinc/23/73/93/571237393.db2.gz XKMJHIOICMXXFD-KSFYIVLOSA-N -1 0 420.421 4.237 50 0 HIAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2nn(CC(C)C)c3nc4ccccc4cc23)cc1 ZINC000009332464 571248760 /nfs/dbraw/zinc/24/87/60/571248760.db2.gz WQZASYNKAIAXSO-UHFFFAOYSA-N -1 0 422.510 4.244 50 0 HIAARM CSc1cc(C(=O)c2ccccc2[O-])cn2c(=O)c3c(nc12)sc1c3CCCC1 ZINC000009439175 571259028 /nfs/dbraw/zinc/25/90/28/571259028.db2.gz OYOAABHOXCXAHF-UHFFFAOYSA-N -1 0 422.531 4.447 50 0 HIAARM CCOC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000009646501 571276374 /nfs/dbraw/zinc/27/63/74/571276374.db2.gz KOJCSSCMRNIOFX-UHFFFAOYSA-N -1 0 415.414 4.296 50 0 HIAARM O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1ccccn1 ZINC000009665618 571277980 /nfs/dbraw/zinc/27/79/80/571277980.db2.gz DAJFLUJJIRPVHN-UHFFFAOYSA-N -1 0 422.293 4.442 50 0 HIAARM Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c(C)n1C ZINC000009684942 571279721 /nfs/dbraw/zinc/27/97/21/571279721.db2.gz DECAGULSLURPPM-UHFFFAOYSA-N -1 0 423.966 4.031 50 0 HIAARM Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c(C)n1C ZINC000009685267 571279801 /nfs/dbraw/zinc/27/98/01/571279801.db2.gz VLMHPAKBXIBNKC-UHFFFAOYSA-N -1 0 423.966 4.112 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)/C=C/c2ccccc2)ccc1C ZINC000009562864 845575698 /nfs/dbraw/zinc/57/56/98/845575698.db2.gz FYBCHLJSDDTMQB-FYWRMAATSA-N -1 0 422.506 4.456 50 0 HIAARM O=C([O-])/C=C/C(=O)Nc1cc(NC(=O)c2c(O)ccc3ccccc32)ccc1Cl ZINC000022146400 846536910 /nfs/dbraw/zinc/53/69/10/846536910.db2.gz JNUKYINGCWPMSY-MDZDMXLPSA-N -1 0 410.813 4.030 50 0 HIAARM CCn1c(=O)c(/C=C\c2ccc(F)c(Br)c2)nc2cc(C(=O)[O-])ccc21 ZINC000097998106 852647961 /nfs/dbraw/zinc/64/79/61/852647961.db2.gz CQBLPYSSZJBCKR-DAXSKMNVSA-N -1 0 417.234 4.187 50 0 HIAARM COc1cc(C=NNc2cc(C(=O)[O-])ccc2Cl)ccc1OC(=O)c1ccco1 ZINC000254556539 854212431 /nfs/dbraw/zinc/21/24/31/854212431.db2.gz SVBNXGQXGUGSMQ-UHFFFAOYSA-N -1 0 414.801 4.305 50 0 HIAARM O=C([O-])c1ccc(C=NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000254822455 854214774 /nfs/dbraw/zinc/21/47/74/854214774.db2.gz RXUFRWFVAAFWPD-UHFFFAOYSA-N -1 0 410.433 4.001 50 0 HIAARM O=[N+]([O-])c1ccccc1NN=Cc1cc(Br)cc(Br)c1[O-] ZINC000254833220 854214940 /nfs/dbraw/zinc/21/49/40/854214940.db2.gz BRPJFEHAVVYVQB-UHFFFAOYSA-N -1 0 415.041 4.271 50 0 HIAARM O=C([O-])c1cc(NCc2ccc(OCc3ccccc3)cc2)ccc1N1CCOCC1 ZINC000004705121 132284215 /nfs/dbraw/zinc/28/42/15/132284215.db2.gz NFVXUDBCBDZTDU-UHFFFAOYSA-N -1 0 418.493 4.413 50 0 HIAARM Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCCCCCC2)c(C(=O)[O-])c1 ZINC000032962188 525332880 /nfs/dbraw/zinc/33/28/80/525332880.db2.gz WISPABCEBQGEAE-UHFFFAOYSA-N -1 0 402.516 4.265 50 0 HIAARM O=C([O-])c1ccc(NC(=O)N2CCc3[nH]cnc3[C@H]2c2ccc(Cl)cc2F)cc1 ZINC000040287275 526376333 /nfs/dbraw/zinc/37/63/33/526376333.db2.gz CDXBGQPHJJJVPP-GOSISDBHSA-N -1 0 414.824 4.080 50 0 HIAARM O=C([O-])c1cn(-c2cccc(C(F)(F)F)c2)c2c1NC(=O)C[C@@H]2c1cccnc1 ZINC000044919506 526401582 /nfs/dbraw/zinc/40/15/82/526401582.db2.gz QCZIGANRISXPJE-CQSZACIVSA-N -1 0 401.344 4.063 50 0 HIAARM Cc1ccc(N(C(=O)c2cccs2)C2=C([O-])N(c3ccc(C)cc3)C(=O)C2)cc1 ZINC000000956458 557126337 /nfs/dbraw/zinc/12/63/37/557126337.db2.gz BHRIHEDMZHPGQJ-LJQANCHMSA-N -1 0 404.491 4.344 50 0 HIAARM O=C(NCc1ccco1)c1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000001049425 557158812 /nfs/dbraw/zinc/15/88/12/557158812.db2.gz ZXOPOPNAFLYDQT-UHFFFAOYSA-N -1 0 406.463 4.164 50 0 HIAARM Cc1oc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2c1C(=O)[O-] ZINC000001122519 557192359 /nfs/dbraw/zinc/19/23/59/557192359.db2.gz PBNSNVZYCVLKRH-UHFFFAOYSA-N -1 0 410.245 4.003 50 0 HIAARM O=C1[N-]C(=O)/C(=C\c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)N1 ZINC000001166340 557221235 /nfs/dbraw/zinc/22/12/35/557221235.db2.gz ZFXUWLSIYGDYLZ-WOJGMQOQSA-N -1 0 423.266 4.362 50 0 HIAARM O=C([O-])CCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(Br)cc1 ZINC000001218298 557247551 /nfs/dbraw/zinc/24/75/51/557247551.db2.gz CNNXJSKBJOVYSF-AWEZNQCLSA-N -1 0 407.289 4.053 50 0 HIAARM COc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000002526282 557354679 /nfs/dbraw/zinc/35/46/79/557354679.db2.gz JYQODLWFOPCSCS-QHCPKHFHSA-N -1 0 417.461 4.230 50 0 HIAARM CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2c1cccc2OCc1ccccc1)C(=O)[O-] ZINC000002583082 557358350 /nfs/dbraw/zinc/35/83/50/557358350.db2.gz BKGXDFLPMKQUPY-GOSISDBHSA-N -1 0 410.470 4.267 50 0 HIAARM CCOC(=O)[C@]([N-]c1ccccc1F)(NC(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000003138075 557450550 /nfs/dbraw/zinc/45/05/50/557450550.db2.gz KUZOUUPVFWCEKG-KRWDZBQOSA-N -1 0 418.774 4.143 50 0 HIAARM CC(C)(C)c1ccc(OCC(=O)Nc2ccc(Br)cc2C(=O)[O-])cc1 ZINC000004593039 557570526 /nfs/dbraw/zinc/57/05/26/557570526.db2.gz ILHQBKHOCIZTFU-UHFFFAOYSA-N -1 0 406.276 4.462 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2)ccc1Cl ZINC000004797219 557598634 /nfs/dbraw/zinc/59/86/34/557598634.db2.gz WVGOZNJSVRZUAK-UHFFFAOYSA-N -1 0 416.886 4.402 50 0 HIAARM O=C([O-])C[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1 ZINC000012981970 558493723 /nfs/dbraw/zinc/49/37/23/558493723.db2.gz OETZFHPLSJOOPQ-ZDUSSCGKSA-N -1 0 408.690 4.141 50 0 HIAARM O=C([O-])c1ccc(-c2ccc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1 ZINC000013879838 558599253 /nfs/dbraw/zinc/59/92/53/558599253.db2.gz IXSBDSKRJJIPHK-GZTJUZNOSA-N -1 0 408.797 4.396 50 0 HIAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OCC(F)(F)F)cc1 ZINC000026236761 558657665 /nfs/dbraw/zinc/65/76/65/558657665.db2.gz BOGPIPGNZRVXOO-UHFFFAOYSA-N -1 0 407.797 4.285 50 0 HIAARM COc1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)ccc1O ZINC000015082310 558719342 /nfs/dbraw/zinc/71/93/42/558719342.db2.gz OUYWCQGMBYOLSO-ZDUSSCGKSA-N -1 0 413.426 4.441 50 0 HIAARM Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC(CC(=O)[O-])CC2)c1 ZINC000034927266 558787825 /nfs/dbraw/zinc/78/78/25/558787825.db2.gz VMOSDBKDHCHAPS-UHFFFAOYSA-N -1 0 403.482 4.175 50 0 HIAARM CCc1c(C)sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1C(=O)Nc1ccccc1 ZINC000017089197 558817760 /nfs/dbraw/zinc/81/77/60/558817760.db2.gz IKEGSCASKFINEB-SJORKVTESA-N -1 0 412.511 4.477 50 0 HIAARM CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCCC(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000017092413 558820917 /nfs/dbraw/zinc/82/09/17/558820917.db2.gz ACIPZJZGQDFYJN-ZDUSSCGKSA-N -1 0 420.575 4.375 50 0 HIAARM Cc1ccc(-c2csc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])c2C(=O)NC2CC2)cc1 ZINC000017093995 558822320 /nfs/dbraw/zinc/82/23/20/558822320.db2.gz VARVAZSUPMVEOI-IRXDYDNUSA-N -1 0 424.522 4.221 50 0 HIAARM CCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(Cl)cc2Cl)cc1OC ZINC000004594617 558832424 /nfs/dbraw/zinc/83/24/24/558832424.db2.gz AZTUWDVOZCBTGW-HNNXBMFYSA-N -1 0 412.269 4.347 50 0 HIAARM O=C([O-])c1cc(-c2cccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)c2)nc2ccccc21 ZINC000018244100 558834401 /nfs/dbraw/zinc/83/44/01/558834401.db2.gz SWZGAQRIOZDMCJ-HDICACEKSA-N -1 0 400.434 4.280 50 0 HIAARM O=S(=O)([N-]c1ccc(-c2noc(-c3cccc(F)c3)n2)cc1)c1cccs1 ZINC000033122932 558879657 /nfs/dbraw/zinc/87/96/57/558879657.db2.gz ZZHNMMWRJCKCNH-UHFFFAOYSA-N -1 0 401.444 4.405 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(-c2cc(C(F)(F)F)[nH]n2)sc1C ZINC000033173891 558902151 /nfs/dbraw/zinc/90/21/51/558902151.db2.gz BXMMVNYKJPTZIL-UHFFFAOYSA-N -1 0 417.434 4.275 50 0 HIAARM CCCCN(C)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1C(=O)[O-] ZINC000033253351 558921227 /nfs/dbraw/zinc/92/12/27/558921227.db2.gz FBCFUGMSNODVKJ-UHFFFAOYSA-N -1 0 404.532 4.347 50 0 HIAARM CCCN(CCC)c1ccc(NS(=O)(=O)c2ccc(CC)cc2)cc1C(=O)[O-] ZINC000033253500 558921635 /nfs/dbraw/zinc/92/16/35/558921635.db2.gz ZZEPIYKELAXHNQ-UHFFFAOYSA-N -1 0 404.532 4.374 50 0 HIAARM CC(C)CN(CC(C)C)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000033254013 558922355 /nfs/dbraw/zinc/92/23/55/558922355.db2.gz PTZUFFMHISXESV-UHFFFAOYSA-N -1 0 422.522 4.443 50 0 HIAARM CCCCN(CC)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C)c(C)c1 ZINC000033254003 558922396 /nfs/dbraw/zinc/92/23/96/558922396.db2.gz KLVQZWVOULXREZ-UHFFFAOYSA-N -1 0 404.532 4.429 50 0 HIAARM CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)o2)cc1 ZINC000033263889 558966124 /nfs/dbraw/zinc/96/61/24/558966124.db2.gz AQDAZBSHIRQALA-UHFFFAOYSA-N -1 0 402.350 4.153 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)o2)cc1Cl ZINC000033263924 558969144 /nfs/dbraw/zinc/96/91/44/558969144.db2.gz QATZXIRCICJXNP-UHFFFAOYSA-N -1 0 422.768 4.416 50 0 HIAARM Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C)cc2)c1C(=O)Nc1ccc(C(C)C)cc1 ZINC000033279657 559043421 /nfs/dbraw/zinc/04/34/21/559043421.db2.gz RCKZWKXDGJNJLG-UHFFFAOYSA-N -1 0 412.515 4.203 50 0 HIAARM Cc1cc([N-]S(=O)(=O)c2ccc(Br)cc2F)ccc1Br ZINC000096170975 559100988 /nfs/dbraw/zinc/10/09/88/559100988.db2.gz DDDMXTJEDSBZNL-UHFFFAOYSA-N -1 0 423.101 4.460 50 0 HIAARM Cc1ccccc1N1Oc2c(O)n(-c3ccc(F)cc3)c(O)c2[C@@H]1c1ccccc1 ZINC000101084853 559143177 /nfs/dbraw/zinc/14/31/77/559143177.db2.gz NYINATMVWNAHFI-FSSWDIPSSA-N -1 0 402.425 4.185 50 0 HIAARM CCN(CCCNC(=O)Cc1c2cc(Cl)ccc2[nH]c1C(=O)[O-])c1ccccc1 ZINC000004821564 559149827 /nfs/dbraw/zinc/14/98/27/559149827.db2.gz ZGWIPGHEDMMTGF-UHFFFAOYSA-N -1 0 413.905 4.095 50 0 HIAARM O=C([O-])C12C[C@H]3C[C@@H](C1)CC(n1ncc(NC4CCCCCC4)c(Cl)c1=O)(C3)C2 ZINC000004928425 559208464 /nfs/dbraw/zinc/20/84/64/559208464.db2.gz QHLFOVNXEWMQQY-BXBLUCELSA-N -1 0 419.953 4.412 50 0 HIAARM Cc1nc(Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc(-c2ccccc2)n1 ZINC000011906691 559266739 /nfs/dbraw/zinc/26/67/39/559266739.db2.gz COUBNXKLBCGXDW-UHFFFAOYSA-N -1 0 417.494 4.391 50 0 HIAARM Cc1ccc(NC(=O)c2cc(NC(=O)CCC(=O)[O-])ccc2N2CCCCC2)cc1 ZINC000000794616 559279780 /nfs/dbraw/zinc/27/97/80/559279780.db2.gz BFYXYYHDZCKZCA-UHFFFAOYSA-N -1 0 409.486 4.041 50 0 HIAARM Cc1c([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(Cl)cc2)cnn1C ZINC000061717656 559292516 /nfs/dbraw/zinc/29/25/16/559292516.db2.gz YGXHXOARPGDIRS-LBPRGKRZSA-N -1 0 401.875 4.283 50 0 HIAARM Cc1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)[C@@H](C)C4)c(Br)c1 ZINC000200468712 560734810 /nfs/dbraw/zinc/73/48/10/560734810.db2.gz PHZPRSOQBQKKGI-NSHDSACASA-N -1 0 413.271 4.147 50 0 HIAARM CCC(NCCC1=CCCCC1)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000101032135 560766846 /nfs/dbraw/zinc/76/68/46/560766846.db2.gz IGAOLOKJYJZQSB-ISLYRVAYSA-N -1 0 401.894 4.067 50 0 HIAARM Cc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@H]3c2ccc(C(=O)[O-])cc2)cc1C ZINC000101167891 560787400 /nfs/dbraw/zinc/78/74/00/560787400.db2.gz HYAWWFKDVZINFN-JOCHJYFZSA-N -1 0 424.460 4.260 50 0 HIAARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1CC(=O)Nc1ccccc1C ZINC000101505468 560796653 /nfs/dbraw/zinc/79/66/53/560796653.db2.gz JGVPMPPVNCAAEW-UHFFFAOYSA-N -1 0 404.495 4.499 50 0 HIAARM CCc1ccccc1NC(=O)c1c([O-])c2cccnc2n(-c2ccc(F)cc2)c1=O ZINC000101723209 560799175 /nfs/dbraw/zinc/79/91/75/560799175.db2.gz OIIHMRVGGLMMQZ-UHFFFAOYSA-N -1 0 403.413 4.045 50 0 HIAARM Cc1ccc(Cc2c(C)nc3[n-]c(CNc4cccc(Cl)c4C)nn3c2=O)cc1 ZINC000101803048 560802287 /nfs/dbraw/zinc/80/22/87/560802287.db2.gz QLSMYHNDUAMQPD-UHFFFAOYSA-N -1 0 407.905 4.199 50 0 HIAARM COc1cccc(NC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(C)cc5)nc-4c3c2)c1 ZINC000101828132 560802665 /nfs/dbraw/zinc/80/26/65/560802665.db2.gz VPROIVGEFFPQRP-UHFFFAOYSA-N -1 0 424.460 4.388 50 0 HIAARM Cc1nc(-n2[n-]c(C)c(Cc3ccc(Cl)cc3)c2=O)sc1C(=O)N1CCCC1 ZINC000101832500 560802999 /nfs/dbraw/zinc/80/29/99/560802999.db2.gz CUZHQWUMVDALDY-UHFFFAOYSA-N -1 0 416.934 4.131 50 0 HIAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2[C@@H](/C=C/c2ccccc2)C1 ZINC000101835938 560803494 /nfs/dbraw/zinc/80/34/94/560803494.db2.gz SFOKACUBAXMYFV-CEUCYRDJSA-N -1 0 420.856 4.437 50 0 HIAARM COc1ccc(C)cc1NC(=O)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O ZINC000102621876 560818340 /nfs/dbraw/zinc/81/83/40/560818340.db2.gz BPTCADLAKTZDNT-UHFFFAOYSA-N -1 0 400.434 4.266 50 0 HIAARM Cc1cc(C)c(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccncc4)[C@@H]3C2=O)c(C)c1 ZINC000103561034 560843254 /nfs/dbraw/zinc/84/32/54/560843254.db2.gz JCBOXEYMRLXMJU-ACIOBRDBSA-N -1 0 413.477 4.058 50 0 HIAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000016126998 560859812 /nfs/dbraw/zinc/85/98/12/560859812.db2.gz SXPRCPPHQJLXBR-UHFFFAOYSA-N -1 0 400.294 4.047 50 0 HIAARM Cc1nn(-c2ccc(F)cc2F)c2c1C(=C([O-])c1ccc(Cl)s1)CC(=O)N2 ZINC000046057178 568426023 /nfs/dbraw/zinc/42/60/23/568426023.db2.gz SHTXJQZVJQFQEO-SNVBAGLBSA-N -1 0 407.829 4.483 50 0 HIAARM O=C([O-])c1cccc(NC2=N[C@H]3C=CC(Br)=C[C@@H]3C(c3ccccc3)=N2)c1 ZINC000049688563 568453215 /nfs/dbraw/zinc/45/32/15/568453215.db2.gz LHOBALDGMQFXPX-ROUUACIJSA-N -1 0 422.282 4.489 50 0 HIAARM Cc1ccc2nc(Cl)c([C@H]3CC(c4ccco4)=NN3C(=O)CCC(=O)[O-])cc2c1 ZINC000000798795 568483104 /nfs/dbraw/zinc/48/31/04/568483104.db2.gz YBRJNLACZKIOET-QGZVFWFLSA-N -1 0 411.845 4.332 50 0 HIAARM COc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000000829586 568500354 /nfs/dbraw/zinc/50/03/54/568500354.db2.gz XWUNZEDOHZFQJP-UHFFFAOYSA-N -1 0 420.494 4.491 50 0 HIAARM O=C([O-])c1ccc(-n2ncc3c2NC(=O)CS[C@@H]3c2cccc(F)c2F)cc1 ZINC000095473877 568629137 /nfs/dbraw/zinc/62/91/37/568629137.db2.gz VBEALTGLHDOWAF-QGZVFWFLSA-N -1 0 401.394 4.273 50 0 HIAARM COc1cc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(F)cc3)n2)cc(OC)c1OC ZINC000020904223 568650577 /nfs/dbraw/zinc/65/05/77/568650577.db2.gz JZXCOGARHIZQDP-UHFFFAOYSA-N -1 0 423.400 4.155 50 0 HIAARM COc1cc(OC)c([N-]S(=O)(=O)c2cc(-c3cnc(C)o3)ccc2C)cc1Cl ZINC000021032471 568659652 /nfs/dbraw/zinc/65/96/52/568659652.db2.gz SKXZCFFEIXQSLS-UHFFFAOYSA-N -1 0 422.890 4.430 50 0 HIAARM Cc1[nH]c(-c2nnc(C3CCC3)o2)c(C)c1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000096379521 568740884 /nfs/dbraw/zinc/74/08/84/568740884.db2.gz FKCUWYYQEXFKGY-UHFFFAOYSA-N -1 0 400.504 4.367 50 0 HIAARM CCCCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccccc1C(N)=O ZINC000252508843 568752203 /nfs/dbraw/zinc/75/22/03/568752203.db2.gz XVQJYORMXVUOIM-UHFFFAOYSA-N -1 0 418.559 4.453 50 0 HIAARM CCCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4)[nH]c(=O)c32)cc1 ZINC000086056877 568753700 /nfs/dbraw/zinc/75/37/00/568753700.db2.gz AXCULYAGAPFKOW-SFHVURJKSA-N -1 0 421.522 4.325 50 0 HIAARM COc1cc(/C=C/C(=O)[O-])cc(I)c1OCc1ccccc1C ZINC000226335252 568806254 /nfs/dbraw/zinc/80/62/54/568806254.db2.gz MBMDROMFELBDPQ-BQYQJAHWSA-N -1 0 424.234 4.285 50 0 HIAARM O=S(=O)([N-]c1ncn(Cc2ccc(Cl)c(Cl)c2)n1)c1ccc(Cl)cc1 ZINC000002774919 568807906 /nfs/dbraw/zinc/80/79/06/568807906.db2.gz FBIALZDJFJJSIC-UHFFFAOYSA-N -1 0 417.705 4.087 50 0 HIAARM O=C(CCCCCn1c(=O)c2sccc2[n-]c1=S)N1CCc2ccccc2C1 ZINC000002925554 568817347 /nfs/dbraw/zinc/81/73/47/568817347.db2.gz PAMJRCJDSDGKFR-UHFFFAOYSA-N -1 0 413.568 4.266 50 0 HIAARM O=C(NCc1cccs1)C1CCC(Cn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000002975760 568832493 /nfs/dbraw/zinc/83/24/93/568832493.db2.gz WAFUELIWIROVOA-UHFFFAOYSA-N -1 0 413.568 4.243 50 0 HIAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)N1CCc2ccccc2C1 ZINC000012525777 568842871 /nfs/dbraw/zinc/84/28/71/568842871.db2.gz RZHGQBQIOAVQGN-UHFFFAOYSA-N -1 0 424.497 4.133 50 0 HIAARM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccccc3Oc3ccccc3Cl)cc2o1 ZINC000012541938 568848744 /nfs/dbraw/zinc/84/87/44/568848744.db2.gz QSPRTJGILPAYQS-UHFFFAOYSA-N -1 0 416.842 4.368 50 0 HIAARM COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000012548602 568851556 /nfs/dbraw/zinc/85/15/56/568851556.db2.gz TZTRNJSSCYPWMO-KRWDZBQOSA-N -1 0 424.522 4.295 50 0 HIAARM O=C1CCCN1c1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000012552469 568854409 /nfs/dbraw/zinc/85/44/09/568854409.db2.gz WTBUSCBPQQXRLW-UHFFFAOYSA-N -1 0 418.824 4.286 50 0 HIAARM O=C(Nc1cccc(O)c1)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000003174967 568859798 /nfs/dbraw/zinc/85/97/98/568859798.db2.gz JKOBZQFGEOMOKF-UHFFFAOYSA-N -1 0 402.859 4.099 50 0 HIAARM Cc1sc2nc(CSc3ncc(C(=O)[O-])n3-c3ccccc3)nc(N)c2c1C ZINC000012579425 568863435 /nfs/dbraw/zinc/86/34/35/568863435.db2.gz SXHMTZWRUBZUDD-UHFFFAOYSA-N -1 0 411.512 4.067 50 0 HIAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000003865014 568869121 /nfs/dbraw/zinc/86/91/21/568869121.db2.gz KQGRNCUXCVBJHX-LJQANCHMSA-N -1 0 400.862 4.281 50 0 HIAARM O=C(Nc1ccc(F)c(Cl)c1)c1csc([N-]S(=O)(=O)c2cccs2)n1 ZINC000012627888 568881405 /nfs/dbraw/zinc/88/14/05/568881405.db2.gz QCSJZNPTSKWUAA-UHFFFAOYSA-N -1 0 417.896 4.050 50 0 HIAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2ncnc3scc(-c4ccccc4)c32)cc1 ZINC000003359121 568887359 /nfs/dbraw/zinc/88/73/59/568887359.db2.gz XGSSONNDNWZNDI-UHFFFAOYSA-N -1 0 409.492 4.362 50 0 HIAARM CCCn1nc(C)cc1CN(C)c1ccc(NC(=O)c2cccc(C)c2)cc1C(=O)[O-] ZINC000046053639 568927838 /nfs/dbraw/zinc/92/78/38/568927838.db2.gz HTWZQNXZYQTQCX-UHFFFAOYSA-N -1 0 420.513 4.497 50 0 HIAARM O=C([O-])CCCCCNC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1 ZINC000031819078 568932788 /nfs/dbraw/zinc/93/27/88/568932788.db2.gz MQRJUTQEOUDQQK-UHFFFAOYSA-N -1 0 401.315 4.421 50 0 HIAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)Nc1ccc(C)cc1Cl)CC2 ZINC000015781958 569002889 /nfs/dbraw/zinc/00/28/89/569002889.db2.gz UUBORFIREITZAC-KRWDZBQOSA-N -1 0 418.877 4.272 50 0 HIAARM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)cc1 ZINC000085664599 569006492 /nfs/dbraw/zinc/00/64/92/569006492.db2.gz ISCCHKIMSBJSPS-UHFFFAOYSA-N -1 0 415.418 4.160 50 0 HIAARM O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)NCCc1ccccn1 ZINC000000641847 569012454 /nfs/dbraw/zinc/01/24/54/569012454.db2.gz BXEJPKZBJXUMTK-UHFFFAOYSA-N -1 0 408.068 4.366 50 0 HIAARM O=C(Nc1ccccc1[N-]S(=O)(=O)c1cccs1)c1cc2c(s1)CCC2 ZINC000006147127 569014614 /nfs/dbraw/zinc/01/46/14/569014614.db2.gz LBGXSUOCMCVYMJ-UHFFFAOYSA-N -1 0 404.538 4.351 50 0 HIAARM COC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])sc(C)c1-c1ccccc1 ZINC000006184273 569029001 /nfs/dbraw/zinc/02/90/01/569029001.db2.gz NVTOXEGRFFRKOU-GJZGRUSLSA-N -1 0 401.484 4.340 50 0 HIAARM COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(F)cc1 ZINC000006184251 569029068 /nfs/dbraw/zinc/02/90/68/569029068.db2.gz SHCLXHVYOCABKX-CABCVRRESA-N -1 0 417.458 4.255 50 0 HIAARM O=S(=O)([N-]c1ccn(Cc2cccc(F)c2)n1)c1cc(Cl)ccc1Cl ZINC000027916613 569033002 /nfs/dbraw/zinc/03/30/02/569033002.db2.gz MXSFLAOGKZAFIZ-UHFFFAOYSA-N -1 0 400.262 4.178 50 0 HIAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N(C)Cc2ccccc2)c1 ZINC000006404471 569046482 /nfs/dbraw/zinc/04/64/82/569046482.db2.gz DRDMPFYXALQKII-UHFFFAOYSA-N -1 0 408.523 4.376 50 0 HIAARM O=C(CCSc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000001770504 569052424 /nfs/dbraw/zinc/05/24/24/569052424.db2.gz GLWPSOZRUIRXSM-UHFFFAOYSA-N -1 0 419.553 4.065 50 0 HIAARM C[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000006581392 569067549 /nfs/dbraw/zinc/06/75/49/569067549.db2.gz WCDWVNCDIQBHTK-CQSZACIVSA-N -1 0 416.449 4.257 50 0 HIAARM CCc1ccc([N-]S(=O)(=O)c2cccnc2Nc2ccc(OC)c(OC)c2)cc1 ZINC000064757582 569091063 /nfs/dbraw/zinc/09/10/63/569091063.db2.gz XUPOFMKMAFBTLR-UHFFFAOYSA-N -1 0 413.499 4.206 50 0 HIAARM COc1ccc(NC(=O)c2c(=O)[nH]c3sc4c(c3c2[O-])CCCCC4)cc1Cl ZINC000065150550 569184963 /nfs/dbraw/zinc/18/49/63/569184963.db2.gz UULSKIBNJBPQJZ-UHFFFAOYSA-N -1 0 418.902 4.478 50 0 HIAARM CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)c(C)n2C)o1 ZINC000065186509 569192056 /nfs/dbraw/zinc/19/20/56/569192056.db2.gz OADCNKAPSPNYCN-UHFFFAOYSA-N -1 0 408.911 4.017 50 0 HIAARM Cc1c(-c2nnc(C3CC3)o2)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c(C)n1C ZINC000065194168 569192703 /nfs/dbraw/zinc/19/27/03/569192703.db2.gz WWYLXJULDQMIBP-UHFFFAOYSA-N -1 0 406.895 4.024 50 0 HIAARM Cc1ccccc1CNC(=O)c1c([O-])c2sccc2n(Cc2ccccc2)c1=O ZINC000065215742 569197667 /nfs/dbraw/zinc/19/76/67/569197667.db2.gz KMLMIZLWIHCIBI-UHFFFAOYSA-N -1 0 404.491 4.055 50 0 HIAARM O=C([O-])c1cc(-c2ccc(F)cc2)nc2c(Br)c(C(F)(F)F)nn21 ZINC000036615678 569207063 /nfs/dbraw/zinc/20/70/63/569207063.db2.gz YYMWDQVEEUNYET-UHFFFAOYSA-N -1 0 404.117 4.015 50 0 HIAARM COc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)cc1COc1ccc(Cl)cc1Cl ZINC000036623604 569212759 /nfs/dbraw/zinc/21/27/59/569212759.db2.gz IFOUOVWGPDUSPC-PBHICJAKSA-N -1 0 414.310 4.369 50 0 HIAARM O=c1nc(SCc2nc(-c3cccc(C(F)(F)F)c3)no2)[n-]c2ccsc21 ZINC000016842926 569264721 /nfs/dbraw/zinc/26/47/21/569264721.db2.gz MCXZZCJANAOPFJ-UHFFFAOYSA-N -1 0 410.402 4.346 50 0 HIAARM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1-n1cccn1)c1cccc(Cl)c1 ZINC000007729033 569303531 /nfs/dbraw/zinc/30/35/31/569303531.db2.gz DDFMBSUNSLWQHS-UHFFFAOYSA-N -1 0 401.797 4.345 50 0 HIAARM O=S(=O)([N-]c1nc2ccccc2nc1N1CCCCCC1)c1ccc(Cl)cc1 ZINC000002225869 569314993 /nfs/dbraw/zinc/31/49/93/569314993.db2.gz XQEGPDOWUWPYLQ-UHFFFAOYSA-N -1 0 416.934 4.464 50 0 HIAARM CCn1c(=O)c(/C=C/c2ccc(Br)s2)nc2cc(C(=O)[O-])ccc21 ZINC000007916557 569321667 /nfs/dbraw/zinc/32/16/67/569321667.db2.gz YKQQXMOGPZQGLG-GQCTYLIASA-N -1 0 405.273 4.109 50 0 HIAARM C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1CC31N=N1 ZINC000038600463 569358102 /nfs/dbraw/zinc/35/81/02/569358102.db2.gz BIWRCOKXOIIZPU-RPVTZKHUSA-N -1 0 418.578 4.250 50 0 HIAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2nc3ccccc3nc2NCc2ccco2)c1 ZINC000002401572 569395540 /nfs/dbraw/zinc/39/55/40/569395540.db2.gz QWJXTAIOXWQKSD-UHFFFAOYSA-N -1 0 408.483 4.253 50 0 HIAARM COc1ccc(CNc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000002404909 569395881 /nfs/dbraw/zinc/39/58/81/569395881.db2.gz KKBDXYJFEJJXPW-UHFFFAOYSA-N -1 0 420.494 4.051 50 0 HIAARM O=C([O-])c1cc(S(=O)(=O)Oc2cccc3ccccc32)ccc1Br ZINC000013074336 569408741 /nfs/dbraw/zinc/40/87/41/569408741.db2.gz UYPRDTAENRODFX-UHFFFAOYSA-N -1 0 407.241 4.068 50 0 HIAARM O=C(Nc1ccc2sc([N-]S(=O)(=O)c3ccccc3)nc2c1)NC1CCCC1 ZINC000013361390 569411907 /nfs/dbraw/zinc/41/19/07/569411907.db2.gz SDYUZSGQFHXMDB-UHFFFAOYSA-N -1 0 416.528 4.161 50 0 HIAARM CCOc1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3cccc(OC)c3)n2)cc1OC ZINC000013363590 569412054 /nfs/dbraw/zinc/41/20/54/569412054.db2.gz BCYFHGLUTWCEKO-UHFFFAOYSA-N -1 0 419.437 4.406 50 0 HIAARM COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000008825235 571121982 /nfs/dbraw/zinc/12/19/82/571121982.db2.gz KQHVYQPDAWUQAS-STQMWFEESA-N -1 0 419.886 4.461 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)c2ccccc2O3)s1 ZINC000008961048 571189451 /nfs/dbraw/zinc/18/94/51/571189451.db2.gz SUHLVZTVYIYVFK-UHFFFAOYSA-N -1 0 400.481 4.240 50 0 HIAARM O=C(Nc1nc2ccccc2s1)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000040144982 571194983 /nfs/dbraw/zinc/19/49/83/571194983.db2.gz KWBBPEPWWWIPAK-UHFFFAOYSA-N -1 0 415.521 4.411 50 0 HIAARM O=C(c1cc(Cl)c2nc3sc4c(c3c(=O)n2c1)CCCC4)c1ccccc1[O-] ZINC000008986739 571205972 /nfs/dbraw/zinc/20/59/72/571205972.db2.gz WKTMEZBYZFQBGT-UHFFFAOYSA-N -1 0 410.882 4.378 50 0 HIAARM CCOc1ccc(-c2[nH]nc3nc(-c4cccc(OCC)c4O)cc(C(=O)[O-])c32)cc1 ZINC000009597461 571272450 /nfs/dbraw/zinc/27/24/50/571272450.db2.gz DMQLSCKCFXCBHV-UHFFFAOYSA-N -1 0 419.437 4.493 50 0 HIAARM O=C([O-])CSc1c2ccc(C(=O)NCc3ccc(F)cc3)cc2nc2c1CCCC2 ZINC000009611666 571273785 /nfs/dbraw/zinc/27/37/85/571273785.db2.gz SOUPDFFJKMOCQB-UHFFFAOYSA-N -1 0 424.497 4.359 50 0 HIAARM CCc1nnsc1C(=O)[N-]c1c2ccccc2oc1C(=O)Nc1ccc(OC)cc1 ZINC000010213409 571296544 /nfs/dbraw/zinc/29/65/44/571296544.db2.gz XEGRZERVZSPBLU-UHFFFAOYSA-N -1 0 422.466 4.360 50 0 HIAARM Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)[O-])c1nnc(C)n1-2 ZINC000114744785 571315434 /nfs/dbraw/zinc/31/54/34/571315434.db2.gz LJOSBOOJFIRCSO-AWEZNQCLSA-N -1 0 400.891 4.274 50 0 in-vitro HIAARM O=C([O-])c1cnn([C@@H]2CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)c1 ZINC000328600766 571317279 /nfs/dbraw/zinc/31/72/79/571317279.db2.gz ZPSYNRLJRRDQCX-QGZVFWFLSA-N -1 0 417.465 4.167 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)/C=C\c2ccco2)ccc1C ZINC000096619725 852553084 /nfs/dbraw/zinc/55/30/84/852553084.db2.gz UNGGGTKUIXOCGP-QXMHVHEDSA-N -1 0 412.467 4.049 50 0 HIAARM CC(Nc1cccc(C(F)(F)F)c1)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000009463591 533417334 /nfs/dbraw/zinc/41/73/34/533417334.db2.gz IGMJAQAEWRJFBI-GDNBJRDFSA-N -1 0 423.778 4.328 50 0 HIAARM COc1cc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4)c32)cc(OC)c1OC ZINC000040309325 522925779 /nfs/dbraw/zinc/92/57/79/522925779.db2.gz HSEQWOAQJVPFSO-HNNXBMFYSA-N -1 0 422.437 4.325 50 0 HIAARM COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1cccc(Br)c1 ZINC000020581356 523108566 /nfs/dbraw/zinc/10/85/66/523108566.db2.gz NPDJBSOYZUOVSV-UHFFFAOYSA-N -1 0 423.288 4.222 50 0 HIAARM COc1cccc(CN2C(=O)C(=O)C(c3ccccc3)[C@@H]2c2ccc(C(=O)[O-])cc2)c1 ZINC000040485628 525928805 /nfs/dbraw/zinc/92/88/05/525928805.db2.gz KLTMMEBCUREELU-QFIPXVFZSA-N -1 0 415.445 4.446 50 0 HIAARM O=C([O-])[C@H](Cc1c(F)cccc1F)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000044830539 526304514 /nfs/dbraw/zinc/30/45/14/526304514.db2.gz WNKYWXMLHBTJJW-QFIPXVFZSA-N -1 0 423.415 4.499 50 0 HIAARM CCOC(=O)c1c([N-]S(=O)(=O)c2ccc(OCC)cc2)sc2c1CCCC2 ZINC000000639724 557032036 /nfs/dbraw/zinc/03/20/36/557032036.db2.gz CUCXXQNXYKFKNL-UHFFFAOYSA-N -1 0 409.529 4.003 50 0 HIAARM C[C@H](CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccccc1 ZINC000000917545 557117912 /nfs/dbraw/zinc/11/79/12/557117912.db2.gz PVPUSOUNGYGKTG-CQSZACIVSA-N -1 0 401.513 4.076 50 0 HIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3oc4ccccc4c3C)cc2)no1 ZINC000001052252 557160430 /nfs/dbraw/zinc/16/04/30/557160430.db2.gz SPSXBNNQUUVRDS-UHFFFAOYSA-N -1 0 411.439 4.091 50 0 HIAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cccc2ccccc21 ZINC000001114083 557185732 /nfs/dbraw/zinc/18/57/32/557185732.db2.gz VFJKATARWTYHEP-UHFFFAOYSA-N -1 0 409.492 4.349 50 0 HIAARM COc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000002445541 557348356 /nfs/dbraw/zinc/34/83/56/557348356.db2.gz GBQUWPWOQMMSRQ-UHFFFAOYSA-N -1 0 424.457 4.322 50 0 HIAARM O=C([O-])COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1 ZINC000002840144 557400396 /nfs/dbraw/zinc/40/03/96/557400396.db2.gz PAQZHERZHYGMFI-SXGWCWSVSA-N -1 0 403.843 4.040 50 0 HIAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1csc2c1CCCC2 ZINC000002872675 557415490 /nfs/dbraw/zinc/41/54/90/557415490.db2.gz AMPNDISTUVBELR-UHFFFAOYSA-N -1 0 419.553 4.137 50 0 HIAARM CC[C@H](C)Oc1cccc(-c2nnc(CCC(=O)N[C@H](C)c3ccccc3)c(=O)[n-]2)c1 ZINC000034765010 557461899 /nfs/dbraw/zinc/46/18/99/557461899.db2.gz JELKSHYQBKIZKD-DLBZAZTESA-N -1 0 420.513 4.232 50 0 HIAARM O=C([O-])c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000003280826 557467144 /nfs/dbraw/zinc/46/71/44/557467144.db2.gz VOEXELGKQPYTIN-UHFFFAOYSA-N -1 0 415.898 4.429 50 0 HIAARM COc1ccc(CCn2c(=O)c3c4c(sc3[n-]c2=S)CCCC4)cc1OC ZINC000003886770 557502811 /nfs/dbraw/zinc/50/28/11/557502811.db2.gz NHGSHFZESXWOGW-UHFFFAOYSA-N -1 0 402.541 4.259 50 0 HIAARM O=C([O-])C[C@H](CC(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccccc1 ZINC000004325095 557541858 /nfs/dbraw/zinc/54/18/58/557541858.db2.gz GHAINZBBGUFURP-HNNXBMFYSA-N -1 0 417.387 4.478 50 0 HIAARM O=C([O-])C[C@H](CC(=O)NCCc1c[nH]c2ccccc12)c1ccc(C(F)(F)F)cc1 ZINC000004371679 557548050 /nfs/dbraw/zinc/54/80/50/557548050.db2.gz NZCRRRKXHSYHGX-INIZCTEOSA-N -1 0 418.415 4.494 50 0 HIAARM COc1ccc(C)cc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000004756935 557594124 /nfs/dbraw/zinc/59/41/24/557594124.db2.gz PZEQWNYSTWWIID-UHFFFAOYSA-N -1 0 410.495 4.365 50 0 HIAARM COc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(C(=O)[O-])cc1OC ZINC000004825130 557603588 /nfs/dbraw/zinc/60/35/88/557603588.db2.gz LFFHNOPCNJEMJA-SECBINFHSA-N -1 0 414.241 4.115 50 0 HIAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000004904637 557611729 /nfs/dbraw/zinc/61/17/29/557611729.db2.gz QNCMVEACMWAXDJ-QWHCGFSZSA-N -1 0 407.289 4.178 50 0 HIAARM O=C([O-])Cc1ccc(Nc2cnn(C34CC5CC(CC(C5)C3)C4)c(=O)c2Cl)cc1 ZINC000004909606 557612133 /nfs/dbraw/zinc/61/21/33/557612133.db2.gz OXKAFEZBEKUQSV-UHFFFAOYSA-N -1 0 413.905 4.193 50 0 HIAARM CCc1nc2sc([C@@H](c3ccc(Br)cc3)N3CCCC3)c([O-])n2n1 ZINC000022852948 557840035 /nfs/dbraw/zinc/84/00/35/557840035.db2.gz XNVZNLJWJXWMKJ-CQSZACIVSA-N -1 0 407.337 4.007 50 0 HIAARM O=C([O-])c1ccccc1NC(=O)c1ccc(NC(=O)COc2ccccc2Cl)cc1 ZINC000009435779 557843231 /nfs/dbraw/zinc/84/32/31/557843231.db2.gz WDBIAZJXQPUCBO-UHFFFAOYSA-N -1 0 424.840 4.308 50 0 HIAARM O=C([O-])c1cccc(NS(=O)(=O)c2ccc(Br)c3ccccc32)c1 ZINC000011859836 558289796 /nfs/dbraw/zinc/28/97/96/558289796.db2.gz IOXYYSWDFMJDKY-UHFFFAOYSA-N -1 0 406.257 4.101 50 0 HIAARM Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)NCCCCCC(=O)[O-] ZINC000020725062 558404425 /nfs/dbraw/zinc/40/44/25/558404425.db2.gz WNTAZFMVNMNOTR-UHFFFAOYSA-N -1 0 416.421 4.392 50 0 HIAARM CC(C)(C)c1ccc(C(=O)N2CCc3nc(-c4cccc(F)c4)[nH]c(=O)c3C2)cc1 ZINC000004382516 558484125 /nfs/dbraw/zinc/48/41/25/558484125.db2.gz PVDTYWZICYLQNY-UHFFFAOYSA-N -1 0 405.473 4.072 50 0 HIAARM CC(C)c1nnc(NC(=O)CCCCCn2c(=O)c3ccccc3[n-]c2=S)s1 ZINC000022975463 558528711 /nfs/dbraw/zinc/52/87/11/558528711.db2.gz BTIZDFCZJAGGSR-UHFFFAOYSA-N -1 0 417.560 4.233 50 0 HIAARM Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(C(=O)[O-])c3)n2CC(C)C)cc1 ZINC000072191554 558563064 /nfs/dbraw/zinc/56/30/64/558563064.db2.gz VGSUZCFKCOKTPR-UHFFFAOYSA-N -1 0 424.526 4.339 50 0 HIAARM Cc1cc(S(=O)(=O)[N-]c2ccccc2-c2nnc3n2CCCCC3)c(C)s1 ZINC000024346214 558595588 /nfs/dbraw/zinc/59/55/88/558595588.db2.gz SGEMJQREUQMJBE-UHFFFAOYSA-N -1 0 402.545 4.151 50 0 HIAARM Cc1occc1C(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1F ZINC000025130796 558632295 /nfs/dbraw/zinc/63/22/95/558632295.db2.gz GWSLXNSHYFXTRC-UHFFFAOYSA-N -1 0 408.838 4.434 50 0 HIAARM COc1cc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)ccc1O ZINC000015082312 558719381 /nfs/dbraw/zinc/71/93/81/558719381.db2.gz OUYWCQGMBYOLSO-CYBMUJFWSA-N -1 0 413.426 4.441 50 0 HIAARM O=C([O-])CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1cccc(F)c1 ZINC000015722513 558749921 /nfs/dbraw/zinc/74/99/21/558749921.db2.gz QOOUQPVDFTXCAC-QGZVFWFLSA-N -1 0 419.250 4.131 50 0 HIAARM CCOc1cc([C@H]2N[C@@H](C(=O)[O-])CS2)ccc1OCc1c(F)cccc1Cl ZINC000004577347 558755900 /nfs/dbraw/zinc/75/59/00/558755900.db2.gz QIENHHMTFBRFLM-QAPCUYQASA-N -1 0 411.882 4.245 50 0 HIAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)C(C)C)ccc2Cl)cc1 ZINC000017056249 558813303 /nfs/dbraw/zinc/81/33/03/558813303.db2.gz QOQVDXGEAWNRMR-CQSZACIVSA-N -1 0 424.950 4.314 50 0 HIAARM CCc1c(C)sc(NC(=O)CCCC(=O)[O-])c1C(=O)Nc1ccccc1OC ZINC000017082869 558815226 /nfs/dbraw/zinc/81/52/26/558815226.db2.gz JVWSVKYBYSZCAF-UHFFFAOYSA-N -1 0 404.488 4.073 50 0 HIAARM Cc1sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c(C(N)=O)c1-c1ccc(C)c(C)c1 ZINC000017090026 558818570 /nfs/dbraw/zinc/81/85/70/558818570.db2.gz IJNRDMVXXXBFNA-HZPDHXFCSA-N -1 0 414.527 4.269 50 0 HIAARM Cc1cccc(NC(=O)c2c3c(sc2NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])CCC3)c1 ZINC000017094004 558822314 /nfs/dbraw/zinc/82/23/14/558822314.db2.gz DAKDRZPZWWASAW-HZPDHXFCSA-N -1 0 424.522 4.403 50 0 HIAARM CCC[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccccc1 ZINC000032999869 558826349 /nfs/dbraw/zinc/82/63/49/558826349.db2.gz DOIDAYHANCLVHS-SFHVURJKSA-N -1 0 415.540 4.466 50 0 HIAARM O=c1cc([O-])c2sc3nc(C(F)(F)F)cc(-c4ccc5c(c4)OCCO5)c3c2[nH]1 ZINC000004618715 558865083 /nfs/dbraw/zinc/86/50/83/558865083.db2.gz KECPFFQIZRQMEZ-UHFFFAOYSA-N -1 0 420.368 4.300 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2NC(=O)c2ccccn2)c(Cl)c1 ZINC000058244999 558914467 /nfs/dbraw/zinc/91/44/67/558914467.db2.gz XTDBFAIANGQCTJ-UHFFFAOYSA-N -1 0 419.865 4.236 50 0 HIAARM CCc1ccc(S(=O)(=O)Nc2ccc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)cc1 ZINC000033253469 558921546 /nfs/dbraw/zinc/92/15/46/558921546.db2.gz AJSWOYURHNZRLV-UHFFFAOYSA-N -1 0 424.522 4.384 50 0 HIAARM CC(C)CN(CC(C)C)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1C(=O)[O-] ZINC000033253587 558921689 /nfs/dbraw/zinc/92/16/89/558921689.db2.gz PBBBWMIWYGJEJP-UHFFFAOYSA-N -1 0 422.522 4.443 50 0 HIAARM Cc1ccccc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1N(C)Cc1ccccc1 ZINC000033253913 558922030 /nfs/dbraw/zinc/92/20/30/558922030.db2.gz HGQMBMCDQWZUKF-UHFFFAOYSA-N -1 0 410.495 4.130 50 0 HIAARM O=C([O-])[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1(C(F)(F)F)CC1 ZINC000723270552 558942848 /nfs/dbraw/zinc/94/28/48/558942848.db2.gz VNLPVSVGNCEUOA-QGZVFWFLSA-N -1 0 405.372 4.321 50 0 HIAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1nc2ccc(F)cc2s1 ZINC000011615520 559114581 /nfs/dbraw/zinc/11/45/81/559114581.db2.gz SLDDOLDQIZWBAY-UHFFFAOYSA-N -1 0 417.281 4.007 50 0 HIAARM CC(C)Cn1c(=O)c(C(=O)Nc2ccc(Br)cc2)c([O-])c2ccccc21 ZINC000100471080 559135540 /nfs/dbraw/zinc/13/55/40/559135540.db2.gz SZYUHDSEIKACCP-UHFFFAOYSA-N -1 0 415.287 4.378 50 0 HIAARM CSc1ccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1 ZINC000100622709 559244799 /nfs/dbraw/zinc/24/47/99/559244799.db2.gz UMMITTVSECNVIF-VSKRKVRLSA-N -1 0 416.502 4.460 50 0 HIAARM Cc1ccc(C(=O)NCc2n[n-]c(=S)n2-c2cccc(C(F)(F)F)c2)cc1C ZINC000005128752 559248983 /nfs/dbraw/zinc/24/89/83/559248983.db2.gz CHLRSBFCLNSDMA-UHFFFAOYSA-N -1 0 406.433 4.496 50 0 HIAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1C ZINC000005135012 559250336 /nfs/dbraw/zinc/25/03/36/559250336.db2.gz LXOLBWGKXMCZCF-UHFFFAOYSA-N -1 0 405.806 4.057 50 0 HIAARM CCOC(=O)C1=C(C)N(c2ccc(C(=O)[O-])cc2)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000003418666 560594381 /nfs/dbraw/zinc/59/43/81/560594381.db2.gz XQRMKFFFMUVHFC-SFHVURJKSA-N -1 0 414.845 4.146 50 0 HIAARM O=C([O-])c1ccccc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000002998063 560732572 /nfs/dbraw/zinc/73/25/72/560732572.db2.gz ODXNTSBBTGQQGZ-UHFFFAOYSA-N -1 0 400.843 4.425 50 0 HIAARM CCCOc1c(/C=C2/CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cccc1OCC ZINC000097993536 560758750 /nfs/dbraw/zinc/75/87/50/560758750.db2.gz BLGYQHLKRBVSFP-SSZFMOIBSA-N -1 0 420.465 4.227 50 0 HIAARM Cc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)c(C)c1 ZINC000101241551 560789570 /nfs/dbraw/zinc/78/95/70/560789570.db2.gz NVIVEEWTUYRTIJ-ZRBLBEILSA-N -1 0 416.452 4.494 50 0 HIAARM Cc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3/C=C/c2ccccc2)cc1C ZINC000101298470 560791171 /nfs/dbraw/zinc/79/11/71/560791171.db2.gz ULXAJQXZKDXBQM-JARZOMNASA-N -1 0 414.465 4.401 50 0 HIAARM COc1cccc(-n2c(=O)c(C(=O)Nc3cccc(Cl)c3)c([O-])c3cccnc32)c1 ZINC000101722180 560798742 /nfs/dbraw/zinc/79/87/42/560798742.db2.gz WBXVGRQNBRFXBM-UHFFFAOYSA-N -1 0 421.840 4.006 50 0 HIAARM CCc1ccc(NC(=O)c2c([O-])c3cccnc3n(-c3ccc(F)cc3)c2=O)cc1 ZINC000101723204 560799154 /nfs/dbraw/zinc/79/91/54/560799154.db2.gz XGEVUDARGDXSOI-UHFFFAOYSA-N -1 0 403.413 4.045 50 0 HIAARM CCn1c(=O)c(-c2nc(-c3cccc(Br)c3)no2)c([O-])c2ccccc21 ZINC000101725440 560799858 /nfs/dbraw/zinc/79/98/58/560799858.db2.gz ZIDGEIHCWJRKKO-UHFFFAOYSA-N -1 0 412.243 4.207 50 0 HIAARM Cc1ccc([C@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccc(Cl)cc4)cnn32)cc1 ZINC000101836423 560803703 /nfs/dbraw/zinc/80/37/03/560803703.db2.gz RJNGLHVKEYCTJB-GOSISDBHSA-N -1 0 408.845 4.081 50 0 HIAARM C[C@H]1Cc2ccccc2N1C(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000024442399 560818702 /nfs/dbraw/zinc/81/87/02/560818702.db2.gz ZEWGRLXAAJZGGX-HNNXBMFYSA-N -1 0 412.536 4.069 50 0 HIAARM Cc1cc(C)cc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccc(F)cc2F)c1 ZINC000102820880 560829654 /nfs/dbraw/zinc/82/96/54/560829654.db2.gz ZHXIFYRCXUPVBR-LJQANCHMSA-N -1 0 424.407 4.014 50 0 HIAARM O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1)c1ccc(Br)s1 ZINC000014225121 560840639 /nfs/dbraw/zinc/84/06/39/560840639.db2.gz ODGFQBUZZUTGOC-UHFFFAOYSA-N -1 0 402.213 4.210 50 0 HIAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1C(=O)Nc1cccc(Cl)c1 ZINC000000627527 568456108 /nfs/dbraw/zinc/45/61/08/568456108.db2.gz NHQAVYIVYSWLTR-HZPDHXFCSA-N -1 0 400.862 4.422 50 0 HIAARM O=C([O-])c1ccccc1NS(=O)(=O)c1ccc(Br)c2ccccc21 ZINC000012290843 568461312 /nfs/dbraw/zinc/46/13/12/568461312.db2.gz UKZPDKAQFYKKGQ-UHFFFAOYSA-N -1 0 406.257 4.101 50 0 HIAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)Nc4ccc(C)cc4)c3=O)c2c1 ZINC000020330509 568599418 /nfs/dbraw/zinc/59/94/18/568599418.db2.gz KLIUBMOATADAIL-UHFFFAOYSA-N -1 0 422.510 4.276 50 0 HIAARM COC(=O)C[C@@H](c1ccco1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096115812 568695547 /nfs/dbraw/zinc/69/55/47/568695547.db2.gz HBCCMDUILQTLRU-AWEZNQCLSA-N -1 0 406.390 4.159 50 0 HIAARM Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000229882865 568715683 /nfs/dbraw/zinc/71/56/83/568715683.db2.gz JKBFEHQBJALXIB-BHDDXSALSA-N -1 0 402.425 4.185 50 0 HIAARM Cc1nc(CNC(=O)OCC2c3ccccc3-c3ccccc32)sc1CC(=O)[O-] ZINC000685944844 568722767 /nfs/dbraw/zinc/72/27/67/568722767.db2.gz CPZVUQUTBHCSAT-UHFFFAOYSA-N -1 0 408.479 4.117 50 0 HIAARM Cc1[nH]c(-c2nnc(C3CCC3)o2)c(C)c1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000096379529 568740968 /nfs/dbraw/zinc/74/09/68/568740968.db2.gz YKYPNKNJFWJZEN-UHFFFAOYSA-N -1 0 408.430 4.028 50 0 HIAARM Cc1cc(C(F)(F)F)nn1Cc1nnc([N-]c2ccn(Cc3ccccc3)n2)s1 ZINC000002731168 568804797 /nfs/dbraw/zinc/80/47/97/568804797.db2.gz AQTKXXCLEHSQOH-UHFFFAOYSA-N -1 0 419.436 4.099 50 0 HIAARM CCn1ccc(-c2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)n1 ZINC000002731044 568804903 /nfs/dbraw/zinc/80/49/03/568804903.db2.gz HXRBKQHMBJWSFU-UHFFFAOYSA-N -1 0 403.874 4.202 50 0 HIAARM COC(=O)c1c(C)c(Cc2ccccc2)sc1NC(=O)c1ccccc1C(=O)[O-] ZINC000001194443 568822788 /nfs/dbraw/zinc/82/27/88/568822788.db2.gz IQHHAINOMIUVAI-UHFFFAOYSA-N -1 0 409.463 4.384 50 0 HIAARM CCc1cc2c(COC(=O)Cc3cccc(C(F)(F)F)c3)cc(=O)oc2cc1O ZINC000005937294 568830862 /nfs/dbraw/zinc/83/08/62/568830862.db2.gz MGCILEBPCGALPM-UHFFFAOYSA-N -1 0 406.356 4.366 50 0 HIAARM CCCn1c(=O)c2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2[n-]c1=S ZINC000003043711 568848195 /nfs/dbraw/zinc/84/81/95/568848195.db2.gz MIQSLBMBZONCCX-UHFFFAOYSA-N -1 0 401.919 4.095 50 0 HIAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc2cccnc21 ZINC000012541993 568848696 /nfs/dbraw/zinc/84/86/96/568848696.db2.gz HQGFZGMCMHQBDK-UHFFFAOYSA-N -1 0 407.289 4.197 50 0 HIAARM Cc1noc(C)c1CSc1nc2cc(C(=O)[O-])ccc2c(=O)n1Cc1ccccc1 ZINC000003394597 568894977 /nfs/dbraw/zinc/89/49/77/568894977.db2.gz CXDCXKLLMUMKLY-UHFFFAOYSA-N -1 0 421.478 4.040 50 0 HIAARM Cc1ccc(NC(=O)C2=C(Nc3ccc(C(=O)[O-])cc3)Oc3cc(O)ccc3C2)cc1 ZINC000263618348 568912452 /nfs/dbraw/zinc/91/24/52/568912452.db2.gz SNMUGRVLODCTEO-UHFFFAOYSA-N -1 0 416.433 4.296 50 0 HIAARM O=C([O-])[C@H](NC(=O)c1ccc2c(c1)nc(Cl)n2Cc1ccccc1)c1ccccc1 ZINC000001296413 568912967 /nfs/dbraw/zinc/91/29/67/568912967.db2.gz KUNUAFSRXXHHMU-HXUWFJFHSA-N -1 0 419.868 4.294 50 0 HIAARM O=C([O-])[C@@H](NC(=O)c1ccc2c(c1)nc(Cl)n2Cc1ccccc1)c1ccccc1 ZINC000001296412 568913045 /nfs/dbraw/zinc/91/30/45/568913045.db2.gz KUNUAFSRXXHHMU-FQEVSTJZSA-N -1 0 419.868 4.294 50 0 HIAARM O=C(NCCC1=CCCCC1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1)c2=O ZINC000003630013 568920842 /nfs/dbraw/zinc/92/08/42/568920842.db2.gz SUDXFGSVHYRWOI-UHFFFAOYSA-N -1 0 419.550 4.354 50 0 HIAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cccc(F)c2)cc1 ZINC000012738269 568925558 /nfs/dbraw/zinc/92/55/58/568925558.db2.gz JWNJJZQRIBGTFP-UHFFFAOYSA-N -1 0 412.442 4.081 50 0 HIAARM Cc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)s2)nc1 ZINC000012744713 568930854 /nfs/dbraw/zinc/93/08/54/568930854.db2.gz YAONRNHHHLOYED-UHFFFAOYSA-N -1 0 407.904 4.158 50 0 HIAARM COc1ccc(NC(=O)Cc2c(C)[n-]n(-c3nc(-c4ccccc4)cs3)c2=O)cc1 ZINC000015671469 568962135 /nfs/dbraw/zinc/96/21/35/568962135.db2.gz AILKWDGWFHEPSO-UHFFFAOYSA-N -1 0 420.494 4.200 50 0 HIAARM COc1ccc(NC(=O)C[C@H]2C=CCC2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000008188162 568980857 /nfs/dbraw/zinc/98/08/57/568980857.db2.gz YLLLPWWGHRXUHK-AWEZNQCLSA-N -1 0 420.918 4.444 50 0 HIAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)Nc1ccc(C)c(Cl)c1)CC2 ZINC000015781946 569002905 /nfs/dbraw/zinc/00/29/05/569002905.db2.gz GZZXUMBLBDRWKX-KRWDZBQOSA-N -1 0 418.877 4.272 50 0 HIAARM CC(=O)c1ccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(Cl)cc3)c2C)cc1 ZINC000085642405 569005233 /nfs/dbraw/zinc/00/52/33/569005233.db2.gz RALLSRBTDTXFGF-UHFFFAOYSA-N -1 0 403.891 4.146 50 0 HIAARM CC(=O)c1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000006146744 569014538 /nfs/dbraw/zinc/01/45/38/569014538.db2.gz DSMWUFZCDJAFTL-UHFFFAOYSA-N -1 0 408.479 4.251 50 0 HIAARM O=C(Nc1cccc(-c2nn[nH]n2)c1)c1cccnc1Sc1ccc(Cl)cc1 ZINC000012945261 569029011 /nfs/dbraw/zinc/02/90/11/569029011.db2.gz KFAQSKZKTLHWGG-UHFFFAOYSA-N -1 0 408.874 4.319 50 0 HIAARM O=C(Nc1ccncc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000006189441 569029798 /nfs/dbraw/zinc/02/97/98/569029798.db2.gz WNXZVSYOZZBQQG-UHFFFAOYSA-N -1 0 422.293 4.442 50 0 HIAARM CCCCNC(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000006213692 569033193 /nfs/dbraw/zinc/03/31/93/569033193.db2.gz XPCDFJJLNCWWGT-UHFFFAOYSA-N -1 0 411.911 4.071 50 0 HIAARM COC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(C)cc1 ZINC000006214992 569033292 /nfs/dbraw/zinc/03/32/92/569033292.db2.gz NDDPVTRXVJYTHC-HOTGVXAUSA-N -1 0 413.495 4.424 50 0 HIAARM O=C([O-])CCc1ccc(-c2ccccc2)n1NC(=O)c1ccccc1Br ZINC000006283306 569037578 /nfs/dbraw/zinc/03/75/78/569037578.db2.gz PVBASYQNBXORQO-UHFFFAOYSA-N -1 0 413.271 4.319 50 0 HIAARM Cc1ccc(Cl)cc1N1CCN(c2ccc(NC(=O)C(C)C)c(C(=O)[O-])c2)CC1 ZINC000064589690 569069042 /nfs/dbraw/zinc/06/90/42/569069042.db2.gz ICFLVIOOBWLLKN-UHFFFAOYSA-N -1 0 415.921 4.268 50 0 HIAARM COc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)cc1O ZINC000064797483 569096564 /nfs/dbraw/zinc/09/65/64/569096564.db2.gz FQTWFWZKLYZGSC-ZDUSSCGKSA-N -1 0 413.426 4.441 50 0 HIAARM CCCn1nc(C)cc1CN(C)c1ccc(C(=O)[O-])cc1NC(=O)c1cccc(C)c1 ZINC000064820549 569102658 /nfs/dbraw/zinc/10/26/58/569102658.db2.gz WYQYUEYSRSPTMQ-UHFFFAOYSA-N -1 0 420.513 4.497 50 0 HIAARM COc1cc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2cc(C)no2)cc(OC)c1 ZINC000064845370 569108043 /nfs/dbraw/zinc/10/80/43/569108043.db2.gz WYCMMANYOARYJP-UHFFFAOYSA-N -1 0 408.501 4.146 50 0 HIAARM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1ccc(-c2nnc(C3CC3)o2)s1 ZINC000064920140 569121079 /nfs/dbraw/zinc/12/10/79/569121079.db2.gz MQQPXMMNXCIMMV-UHFFFAOYSA-N -1 0 415.418 4.495 50 0 HIAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(-c3onc(C)c3C)o2)c1 ZINC000064958600 569135221 /nfs/dbraw/zinc/13/52/21/569135221.db2.gz SOCLGKMFJJHODX-UHFFFAOYSA-N -1 0 406.460 4.150 50 0 HIAARM Cc1nn(CCc2n[n-]c(=S)n2-c2ccc(C)cc2C)c(C)c1Br ZINC000006912365 569179014 /nfs/dbraw/zinc/17/90/14/569179014.db2.gz YLWYQZIYBXMZGO-UHFFFAOYSA-N -1 0 406.353 4.365 50 0 HIAARM CCc1nnc(-c2c(C)n(C)c(C)c2S(=O)(=O)[N-]c2ccc(C(C)C)cc2)o1 ZINC000065194166 569192633 /nfs/dbraw/zinc/19/26/33/569192633.db2.gz FSRSJNIZGJRVQE-UHFFFAOYSA-N -1 0 402.520 4.179 50 0 HIAARM C[C@H](NC(=O)c1c([O-])c2sccc2n(Cc2ccccc2)c1=O)c1ccccc1 ZINC000065215671 569197593 /nfs/dbraw/zinc/19/75/93/569197593.db2.gz UXZMGTMBUFKAGO-HNNXBMFYSA-N -1 0 404.491 4.308 50 0 HIAARM COc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)cc1COc1cccc(C(F)(F)F)c1 ZINC000036623961 569212668 /nfs/dbraw/zinc/21/26/68/569212668.db2.gz MRXWHGREHHBFCQ-WBVHZDCISA-N -1 0 413.417 4.081 50 0 HIAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000007053719 569214406 /nfs/dbraw/zinc/21/44/06/569214406.db2.gz ZWMHSTIPOSLJJP-UHFFFAOYSA-N -1 0 410.211 4.277 50 0 HIAARM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000014222608 569259083 /nfs/dbraw/zinc/25/90/83/569259083.db2.gz UHLIWQFABRPXNF-UHFFFAOYSA-N -1 0 411.861 4.281 50 0 HIAARM O=C(CCc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000014701877 569269477 /nfs/dbraw/zinc/26/94/77/569269477.db2.gz CPRGJMZXXBFCSI-UHFFFAOYSA-N -1 0 421.931 4.169 50 0 HIAARM O=C([O-])Cn1c2ccc(F)cc2c2c1CCN(C(=O)c1cccc3ccccc31)C2 ZINC000091291806 569278018 /nfs/dbraw/zinc/27/80/18/569278018.db2.gz IHAXLPDVOWLUOS-UHFFFAOYSA-N -1 0 402.425 4.217 50 0 in-man HIAARM CCC[C@@H](NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)[O-] ZINC000002097927 569281005 /nfs/dbraw/zinc/28/10/05/569281005.db2.gz NSJSHMCKWGYJML-GOSISDBHSA-N -1 0 413.470 4.075 50 0 biogenic HIAARM O=C([O-])c1cn(-c2cccc(C(F)(F)F)c2)c2c1NC(=O)C[C@@H]2c1ccc(O)cc1 ZINC000066087905 569314415 /nfs/dbraw/zinc/31/44/15/569314415.db2.gz JIHYUEPZGRAYEG-OAHLLOKOSA-N -1 0 416.355 4.374 50 0 HIAARM Cc1ccc([C@@H](O)c2ccccn2)cc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000253630087 569383332 /nfs/dbraw/zinc/38/33/32/569383332.db2.gz AUXQRUIMJDUJJF-LJQANCHMSA-N -1 0 422.428 4.291 50 0 HIAARM [O-]c1c([C@@H](c2ccc(Br)s2)N2CCCCCC2)sc2ncnn12 ZINC000252485995 569387529 /nfs/dbraw/zinc/38/75/29/569387529.db2.gz HGWHCIKCOXECHW-GFCCVEGCSA-N -1 0 413.366 4.286 50 0 HIAARM O=C(NC1CCCC1)c1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000013059048 569408233 /nfs/dbraw/zinc/40/82/33/569408233.db2.gz IUOUHQJHWNFDLZ-UHFFFAOYSA-N -1 0 413.326 4.467 50 0 HIAARM Cc1ccc(NC(=O)Nc2ccc3nc([N-]S(C)(=O)=O)sc3c2)cc1Cl ZINC000013348669 569411095 /nfs/dbraw/zinc/41/10/95/569411095.db2.gz MOYMDDHZPTVSRO-UHFFFAOYSA-N -1 0 410.908 4.274 50 0 HIAARM O=C([O-])CCCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccc(Br)c1 ZINC000079112350 569428272 /nfs/dbraw/zinc/42/82/72/569428272.db2.gz MYKGSWUNMVBYIN-OAHLLOKOSA-N -1 0 421.316 4.443 50 0 HIAARM COc1ccc([C@H](CC(=O)Nc2ccc(Cl)cc2F)[N-]C(=O)C(F)(F)F)cc1 ZINC000008624966 571096729 /nfs/dbraw/zinc/09/67/29/571096729.db2.gz QYMOKYHQLCWWKB-HNNXBMFYSA-N -1 0 418.774 4.236 50 0 aggregator HIAARM O=C(Nc1cccc2ncccc21)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000040144292 571194662 /nfs/dbraw/zinc/19/46/62/571194662.db2.gz MSYNABXIOBQUDA-UHFFFAOYSA-N -1 0 409.492 4.349 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c(C(F)(F)F)c1 ZINC000040155174 571202345 /nfs/dbraw/zinc/20/23/45/571202345.db2.gz ACVMAGVGHYKUKF-UHFFFAOYSA-N -1 0 415.311 4.413 50 0 HIAARM COc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000009126131 571226503 /nfs/dbraw/zinc/22/65/03/571226503.db2.gz IYDRVGNYANCCMY-UHFFFAOYSA-N -1 0 418.421 4.027 50 0 HIAARM CCCN1c2cc([N-]S(=O)(=O)c3ccc(CC)s3)ccc2OCC(C)(C)C1=O ZINC000009171980 571234101 /nfs/dbraw/zinc/23/41/01/571234101.db2.gz HQPABGCUHPEBEI-UHFFFAOYSA-N -1 0 422.572 4.273 50 0 HIAARM O=C([O-])c1ccc(Cl)c(NC(=O)CSc2ncnc3sc4c(c32)CCC4)c1 ZINC000009317679 571247728 /nfs/dbraw/zinc/24/77/28/571247728.db2.gz CZGULXJMZQHYRE-UHFFFAOYSA-N -1 0 419.915 4.262 50 0 HIAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c1C(=O)N1CCCCC1 ZINC000009684374 571279475 /nfs/dbraw/zinc/27/94/75/571279475.db2.gz GWZRGLNKQHYXRI-UHFFFAOYSA-N -1 0 409.939 4.020 50 0 HIAARM Cc1cc(C)c(NC(=O)CSC2=Nc3ccc(Cl)cc3S(=O)(=O)[N-]2)c(C)c1 ZINC000009761963 571284546 /nfs/dbraw/zinc/28/45/46/571284546.db2.gz KGHOFKDELDFXCI-UHFFFAOYSA-N -1 0 423.947 4.107 50 0 HIAARM O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C/c1ccc(-c2ccc(F)cc2)o1)CC3 ZINC000007166075 845268475 /nfs/dbraw/zinc/26/84/75/845268475.db2.gz PAWMXFURZARYDW-SDNWHVSQSA-N -1 0 402.381 4.438 50 0 HIAARM O=C([O-])CCc1ccc(S(=O)(=O)Nc2cccc(/C=C\c3ccccn3)c2)cc1 ZINC000096843925 852556126 /nfs/dbraw/zinc/55/61/26/852556126.db2.gz IEXUAHMPPVCTIG-XFFZJAGNSA-N -1 0 408.479 4.070 50 0 HIAARM O=C([O-])c1ccc(NC=C2C(=O)N(c3ccc(Cl)cn3)C(=O)c3ccccc32)cc1 ZINC000105839206 852732736 /nfs/dbraw/zinc/73/27/36/852732736.db2.gz CTGJBXVRJGFXKH-PDGQHHTCSA-N -1 0 419.824 4.073 50 0 HIAARM Cc1ccccc1N1CCN(c2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])cc2)CC1 ZINC000000627159 132229372 /nfs/dbraw/zinc/22/93/72/132229372.db2.gz PFFYSLOMCJTWPH-YADHBBJMSA-N -1 0 421.541 4.151 50 0 HIAARM O=C([O-])c1cc(NCc2ccccc2OCc2ccccc2)ccc1N1CCOCC1 ZINC000004703559 132283871 /nfs/dbraw/zinc/28/38/71/132283871.db2.gz PIOQYRLXTGSDKX-UHFFFAOYSA-N -1 0 418.493 4.413 50 0 HIAARM COc1ccccc1N1CCN(c2nc(-c3ccccc3[O-])nc3ccccc32)CC1 ZINC000005023604 132298462 /nfs/dbraw/zinc/29/84/62/132298462.db2.gz RYGXAPPTWDADAJ-UHFFFAOYSA-N -1 0 412.493 4.338 50 0 HIAARM CCC(Nc1ccc2c(c1)CCC2)=C1C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O ZINC000009361359 132339066 /nfs/dbraw/zinc/33/90/66/132339066.db2.gz XPFIVBJYHFICDL-FMQUCBEESA-N -1 0 405.454 4.383 50 0 HIAARM CC(C)C[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1)C(=O)[O-] ZINC000040286843 519386988 /nfs/dbraw/zinc/38/69/88/519386988.db2.gz JMZVPFMAWZTYLG-AWEZNQCLSA-N -1 0 401.315 4.275 50 0 HIAARM CCN(Cc1cccs1)C(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000030686912 521402821 /nfs/dbraw/zinc/40/28/21/521402821.db2.gz GBJDRGGIWOJEFN-UHFFFAOYSA-N -1 0 420.581 4.202 50 0 HIAARM CCc1cccc(C)c1NC(=O)[C@@H](C)Sc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000017089979 524065152 /nfs/dbraw/zinc/06/51/52/524065152.db2.gz NVWOHZPKDSMRDK-OAHLLOKOSA-N -1 0 414.527 4.480 50 0 HIAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)s2)on1 ZINC000020581373 526042190 /nfs/dbraw/zinc/04/21/90/526042190.db2.gz OHUWIQQJPXZSRQ-UHFFFAOYSA-N -1 0 404.391 4.411 50 0 HIAARM Cc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(c4nsc5ccccc54)CC3)c2c1 ZINC000032091585 526114753 /nfs/dbraw/zinc/11/47/53/526114753.db2.gz DCEOBMACNBWRDI-FQEVSTJZSA-N -1 0 406.511 4.034 50 0 HIAARM O=C([O-])CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1cccs1 ZINC000000710174 557065737 /nfs/dbraw/zinc/06/57/37/557065737.db2.gz YDKXZCVBLCTTHB-CQSZACIVSA-N -1 0 407.289 4.053 50 0 HIAARM O=C([O-])CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1cccs1 ZINC000000710175 557065767 /nfs/dbraw/zinc/06/57/67/557065767.db2.gz YDKXZCVBLCTTHB-AWEZNQCLSA-N -1 0 407.289 4.053 50 0 HIAARM Cc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccc(C(=O)[O-])cc4)cc3C2=O)cc1C ZINC000001058293 557162534 /nfs/dbraw/zinc/16/25/34/557162534.db2.gz ANVLKQPNPCOUHH-UHFFFAOYSA-N -1 0 414.417 4.055 50 0 HIAARM O=C([O-])[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)Cc1ccccc1 ZINC000002392132 557343744 /nfs/dbraw/zinc/34/37/44/557343744.db2.gz NZMKXKRMTSBQFS-GOSISDBHSA-N -1 0 401.462 4.469 50 0 HIAARM CSCC[C@@H](C(=O)[O-])N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000002809922 557393369 /nfs/dbraw/zinc/39/33/69/557393369.db2.gz DWBLWBFMFMFTDT-BYPYZUCNSA-N -1 0 417.097 4.103 50 0 HIAARM O=C([O-])c1ccccc1NC(=O)c1cccc(NC(=O)COc2ccccc2Cl)c1 ZINC000002836595 557399236 /nfs/dbraw/zinc/39/92/36/557399236.db2.gz ITENLUUWZMVQHF-UHFFFAOYSA-N -1 0 424.840 4.308 50 0 HIAARM O=C(/C=C/c1ccccc1)N/C(=C/c1ccccc1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000002999238 557439607 /nfs/dbraw/zinc/43/96/07/557439607.db2.gz MCOSTICOGVRXAM-SWFHOVNTSA-N -1 0 412.445 4.194 50 0 HIAARM CC[C@@H](C)Oc1cccc(-c2nnc(CCC(=O)N[C@@H](C)c3ccccc3)c(=O)[n-]2)c1 ZINC000034764997 557461676 /nfs/dbraw/zinc/46/16/76/557461676.db2.gz JELKSHYQBKIZKD-SJORKVTESA-N -1 0 420.513 4.232 50 0 HIAARM O=C([O-])c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)c1 ZINC000003312657 557472277 /nfs/dbraw/zinc/47/22/77/557472277.db2.gz VXTPGGPHJHBGFQ-UHFFFAOYSA-N -1 0 401.871 4.434 50 0 HIAARM Cc1ccc(N2C(=O)c3ccc(C(=O)Nc4cccc(C(=O)[O-])c4)cc3C2=O)cc1C ZINC000004142029 557519358 /nfs/dbraw/zinc/51/93/58/557519358.db2.gz XJFROCIJPWIDOC-UHFFFAOYSA-N -1 0 414.417 4.055 50 0 HIAARM COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000004179866 557525420 /nfs/dbraw/zinc/52/54/20/557525420.db2.gz LHGRBARTNZEDSG-ZIAGYGMSSA-N -1 0 405.447 4.170 50 0 HIAARM O=c1cc([O-])c2c(=O)n(N(c3ccccc3)c3ccccc3)c3c(c2o1)CCCC3 ZINC000005450619 557654649 /nfs/dbraw/zinc/65/46/49/557654649.db2.gz QFZOVCFESXRXAL-UHFFFAOYSA-N -1 0 400.434 4.141 50 0 HIAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc3sc(-c4ccccc4O)nc3c1)C2=O ZINC000003010222 557779231 /nfs/dbraw/zinc/77/92/31/557779231.db2.gz YMAHYBGNZCYSTN-UHFFFAOYSA-N -1 0 416.414 4.168 50 0 HIAARM CCc1nc2sc([C@H](c3ccccc3F)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000022855051 557842032 /nfs/dbraw/zinc/84/20/32/557842032.db2.gz OOHJNGVOUBMDKH-IBGZPJMESA-N -1 0 408.502 4.346 50 0 HIAARM CCc1nc2sc([C@H](c3ccc(OC)cc3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000022855074 557842296 /nfs/dbraw/zinc/84/22/96/557842296.db2.gz INHFSERVCCOIOV-FQEVSTJZSA-N -1 0 420.538 4.215 50 0 HIAARM Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000020427463 558362408 /nfs/dbraw/zinc/36/24/08/558362408.db2.gz TWNDEHIWNWPPSV-SFHVURJKSA-N -1 0 423.469 4.165 50 0 HIAARM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OCC(F)(F)F)c1 ZINC000022609003 558501074 /nfs/dbraw/zinc/50/10/74/558501074.db2.gz QCHBVAWLIORNBT-UHFFFAOYSA-N -1 0 407.797 4.285 50 0 HIAARM COc1cc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c(OC)cc1Cl ZINC000022958814 558528076 /nfs/dbraw/zinc/52/80/76/558528076.db2.gz DSQCQYCSNNQLDU-UHFFFAOYSA-N -1 0 411.785 4.057 50 0 HIAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(-c3nc4ccccc4s3)cc1)C2=O ZINC000004499616 558612388 /nfs/dbraw/zinc/61/23/88/558612388.db2.gz CGXDUXHNNQFXAI-UHFFFAOYSA-N -1 0 400.415 4.462 50 0 HIAARM COC(=O)c1cc([N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)ccc1F ZINC000026236054 558657493 /nfs/dbraw/zinc/65/74/93/558657493.db2.gz GYGYWGHMFYILEV-UHFFFAOYSA-N -1 0 406.262 4.337 50 0 HIAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(OCc3ccccc3)cc2)C[C@H]1C(=O)[O-] ZINC000014632495 558662228 /nfs/dbraw/zinc/66/22/28/558662228.db2.gz XWJPHAPIBLOONE-PMACEKPBSA-N -1 0 413.470 4.107 50 0 HIAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3c(s2)-c2ccccc2CC3)c1 ZINC000028813172 558705132 /nfs/dbraw/zinc/70/51/32/558705132.db2.gz PQNCUMOUTZFCLT-UHFFFAOYSA-N -1 0 413.520 4.265 50 0 HIAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000028932649 558707722 /nfs/dbraw/zinc/70/77/22/558707722.db2.gz WABUINCBRRYUER-UHFFFAOYSA-N -1 0 406.511 4.007 50 0 HIAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000016202501 558778349 /nfs/dbraw/zinc/77/83/49/558778349.db2.gz QAQXNQRBEKCJPC-UHFFFAOYSA-N -1 0 423.366 4.083 50 0 HIAARM O=C(CSC1=NC(=O)C(Cc2ccc(Cl)cc2Cl)C([O-])=N1)c1ccccc1 ZINC000034902397 558787421 /nfs/dbraw/zinc/78/74/21/558787421.db2.gz RUWNGTYZHPTDFM-UHFFFAOYSA-N -1 0 421.305 4.348 50 0 HIAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1scc(-c2ccccc2)c1C(=O)NC1CC1 ZINC000017089206 558817908 /nfs/dbraw/zinc/81/79/08/558817908.db2.gz PZDWCWJJUCQFPM-HOTGVXAUSA-N -1 0 412.511 4.137 50 0 HIAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCC2 ZINC000017089214 558817924 /nfs/dbraw/zinc/81/79/24/558817924.db2.gz BBRBLTWAGVHCFH-GJZGRUSLSA-N -1 0 412.511 4.319 50 0 HIAARM CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)NC2CCCC2)C1 ZINC000017092398 558820814 /nfs/dbraw/zinc/82/08/14/558820814.db2.gz BVGDLXQFBVQGQQ-ZDUSSCGKSA-N -1 0 420.575 4.375 50 0 HIAARM O=C([O-])[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)c2ccccc2O1 ZINC000070915445 558824682 /nfs/dbraw/zinc/82/46/82/558824682.db2.gz FILOMFPVLURQOC-QFIPXVFZSA-N -1 0 401.418 4.288 50 0 HIAARM Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCCCCC3)cc2C(=O)[O-])c(C)c1 ZINC000033007454 558828327 /nfs/dbraw/zinc/82/83/27/558828327.db2.gz KBWCAFBYUBAEEV-UHFFFAOYSA-N -1 0 416.543 4.491 50 0 HIAARM Cc1cc(-c2csc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)c2)on1 ZINC000033169526 558902920 /nfs/dbraw/zinc/90/29/20/558902920.db2.gz NBMMBKRHLFZXSQ-UHFFFAOYSA-N -1 0 404.391 4.411 50 0 HIAARM O=C([O-])c1n[nH]cc1CN1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 ZINC000071730343 558908064 /nfs/dbraw/zinc/90/80/64/558908064.db2.gz HOEXRVUIPHLKHX-QGZVFWFLSA-N -1 0 407.445 4.009 50 0 HIAARM Cc1ccccc1S(=O)(=O)Nc1ccc(N(C)Cc2ccccc2)c(C(=O)[O-])c1 ZINC000033253471 558921456 /nfs/dbraw/zinc/92/14/56/558921456.db2.gz DKBQIOFDDGEVBU-UHFFFAOYSA-N -1 0 410.495 4.130 50 0 HIAARM CCCN(CCC)c1ccc(NS(=O)(=O)c2ccc(C)cc2C)cc1C(=O)[O-] ZINC000033253495 558921622 /nfs/dbraw/zinc/92/16/22/558921622.db2.gz PDFFPTJGYOYNPV-UHFFFAOYSA-N -1 0 404.532 4.429 50 0 HIAARM Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC[C@H](C)C2)c(C)c1 ZINC000033253947 558922262 /nfs/dbraw/zinc/92/22/62/558922262.db2.gz YVIBKUWSRBFBEO-AWEZNQCLSA-N -1 0 416.543 4.347 50 0 HIAARM Cc1nc2sc([C@H](c3ccc(C)cc3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000023156888 559022843 /nfs/dbraw/zinc/02/28/43/559022843.db2.gz IPEHGVJVBYOEKG-FQEVSTJZSA-N -1 0 419.554 4.025 50 0 HIAARM O=C([O-])c1cc(-c2ccc(/C=c3/sc4nc5ccccc5n4c3=O)o2)ccc1Cl ZINC000033340027 559064729 /nfs/dbraw/zinc/06/47/29/559064729.db2.gz KYMCFBVZYBLWRS-VCHYOVAHSA-N -1 0 422.849 4.069 50 0 HIAARM O=C([O-])c1ccc(O[C@@H]2CC[C@H](NC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000101140162 559186605 /nfs/dbraw/zinc/18/66/05/559186605.db2.gz KNBWKJBQDAQARU-KSSCSKLYSA-N -1 0 412.530 4.343 50 0 in-vitro HIAARM CCCn1c(=O)c(C(=O)Nc2ccc(Br)cc2)c([O-])c2ccccc21 ZINC000100467719 559204154 /nfs/dbraw/zinc/20/41/54/559204154.db2.gz KDCWQMBADZBNOW-UHFFFAOYSA-N -1 0 401.260 4.132 50 0 HIAARM O=C([O-])C12C[C@H]3C[C@@H](C1)CC(n1ncc(Nc4ccc(F)cc4)c(Cl)c1=O)(C3)C2 ZINC000004928728 559208612 /nfs/dbraw/zinc/20/86/12/559208612.db2.gz QJSDENYMCTYHQP-GWEVUABKSA-N -1 0 417.868 4.160 50 0 HIAARM O=C([N-]n1c(=O)c2ccccc2nc1-c1cccc(Cl)c1)c1c(F)cccc1F ZINC000005199588 559292725 /nfs/dbraw/zinc/29/27/25/559292725.db2.gz IECPQEVHMQWCJK-UHFFFAOYSA-N -1 0 411.795 4.379 50 0 HIAARM O=C([O-])CCSc1nnc(CNc2ccc(Cl)cc2)n1Cc1ccccc1 ZINC000005522843 560605345 /nfs/dbraw/zinc/60/53/45/560605345.db2.gz GGPDKJXUIPLKRE-UHFFFAOYSA-N -1 0 402.907 4.159 50 0 HIAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NC2CCCCC2)cc1 ZINC000017209366 560704067 /nfs/dbraw/zinc/70/40/67/560704067.db2.gz BDUDVBMPZRPHQV-UHFFFAOYSA-N -1 0 412.515 4.184 50 0 HIAARM Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C(=O)[O-])cc3)n2CC(C)C)c1 ZINC000009328536 560758608 /nfs/dbraw/zinc/75/86/08/560758608.db2.gz QKSOYMOQYYXRLA-UHFFFAOYSA-N -1 0 424.526 4.339 50 0 HIAARM Cc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000018066122 560774427 /nfs/dbraw/zinc/77/44/27/560774427.db2.gz GDTWGVYKXIFMTB-VSKRKVRLSA-N -1 0 402.425 4.185 50 0 HIAARM C/C=C/C=C/C(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000012536228 560781571 /nfs/dbraw/zinc/78/15/71/560781571.db2.gz LNEWBLSKVWNTOH-VNKDHWASSA-N -1 0 406.891 4.220 50 0 HIAARM Cc1ccc([C@@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccc(C)c(C)c4)cnn32)cc1 ZINC000101298422 560791185 /nfs/dbraw/zinc/79/11/85/560791185.db2.gz ZEYJVFVFCQXMRO-FQEVSTJZSA-N -1 0 402.454 4.044 50 0 HIAARM Cc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@@H]2/C=C/c1ccccc1 ZINC000101299792 560791190 /nfs/dbraw/zinc/79/11/90/560791190.db2.gz HFDMKZZTLNASFJ-FLVLSHQESA-N -1 0 400.438 4.092 50 0 HIAARM Cc1c(C(=O)N(C)C)sc2[n-]c(=S)n(CCc3ccc(Cl)cc3)c(=O)c12 ZINC000101399837 560794180 /nfs/dbraw/zinc/79/41/80/560794180.db2.gz ODRHGHWHTLHSFK-UHFFFAOYSA-N -1 0 407.948 4.027 50 0 HIAARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1CC(=O)Nc1cccc(C)c1 ZINC000101505336 560796722 /nfs/dbraw/zinc/79/67/22/560796722.db2.gz BMUVCNHCURXBTK-UHFFFAOYSA-N -1 0 404.495 4.499 50 0 HIAARM COc1cccc(-n2c(=O)c(C(=O)Nc3ccccc3Cl)c([O-])c3cccnc32)c1 ZINC000101722183 560798758 /nfs/dbraw/zinc/79/87/58/560798758.db2.gz VFJMWUSCUJTWGK-UHFFFAOYSA-N -1 0 421.840 4.006 50 0 HIAARM Cc1ccc(NC(=O)c2c([O-])c3cccnc3n(-c3ccc(F)cc3)c2=O)cc1C ZINC000101723217 560799127 /nfs/dbraw/zinc/79/91/27/560799127.db2.gz QGUUCYOTGPWHHK-UHFFFAOYSA-N -1 0 403.413 4.100 50 0 HIAARM Cc1nn2c([n-]1)nc(=O)c1c2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000102591375 560817437 /nfs/dbraw/zinc/81/74/37/560817437.db2.gz NXHQGWLNWGKKNE-PXNSSMCTSA-N -1 0 423.476 4.334 50 0 HIAARM CCCC[C@@H]1[C@H]2C(=O)N(c3ccc(OCCC)cc3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000102729864 560822247 /nfs/dbraw/zinc/82/22/47/560822247.db2.gz HTHMRCIAPOXXJW-YPAWHYETSA-N -1 0 408.498 4.344 50 0 HIAARM Cc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccccc2Cl)cc1 ZINC000102901326 560834940 /nfs/dbraw/zinc/83/49/40/560834940.db2.gz SVWJCCVUGRQNPF-SFHVURJKSA-N -1 0 408.845 4.081 50 0 HIAARM Cc1ccc([C@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccc(C)c(Cl)c4)cnn32)cc1 ZINC000102901440 560834983 /nfs/dbraw/zinc/83/49/83/560834983.db2.gz IIQXJGZGAYVNPV-LJQANCHMSA-N -1 0 422.872 4.389 50 0 HIAARM Cc1cc(C)cc(N(C(=O)c2ccco2)C2=C([O-])N(c3cc(C)cc(C)c3)C(=O)C2)c1 ZINC000000957244 568415328 /nfs/dbraw/zinc/41/53/28/568415328.db2.gz PZVPTDDTCCUSGZ-NRFANRHFSA-N -1 0 416.477 4.492 50 0 HIAARM Cc1nn(-c2ccc(Br)cc2)c2c1C(=C([O-])c1cccs1)CC(=O)N2 ZINC000046057022 568426047 /nfs/dbraw/zinc/42/60/47/568426047.db2.gz WKRUHLMYGAFZQA-ZDUSSCGKSA-N -1 0 416.300 4.313 50 0 HIAARM CC[C@H](C)N(C)C(=O)c1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[n-]c1=O ZINC000215526064 568461125 /nfs/dbraw/zinc/46/11/25/568461125.db2.gz AIFFHZVOXSTCHQ-VIFPVBQESA-N -1 0 421.341 4.345 50 0 HIAARM CCOCCCn1c(=O)c2ccc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)cc2[n-]c1=S ZINC000002972150 568466241 /nfs/dbraw/zinc/46/62/41/568466241.db2.gz VBVOZXRIKNTSEU-IIDMSEBBSA-N -1 0 417.575 4.040 50 0 HIAARM CCOc1ccc(NC(=O)[C@@H](CC(=O)[O-])Cc2ccc(Br)cc2)cc1 ZINC000000753507 568471593 /nfs/dbraw/zinc/47/15/93/568471593.db2.gz CIWLJFIKROSRJT-CQSZACIVSA-N -1 0 406.276 4.120 50 0 HIAARM O=S(=O)([N-]c1cc(Cl)ccc1OCC(F)(F)F)c1cccnc1Cl ZINC000022758832 568500103 /nfs/dbraw/zinc/50/01/03/568500103.db2.gz LLYNNHISGXRCMH-UHFFFAOYSA-N -1 0 401.193 4.130 50 0 HIAARM CCC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2C)s1 ZINC000033007734 568510281 /nfs/dbraw/zinc/51/02/81/568510281.db2.gz QQBSPXCDOTYZFY-UHFFFAOYSA-N -1 0 411.455 4.032 50 0 HIAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3c(C)cc(C)cc3C)cc2)c1C ZINC000000839188 568515063 /nfs/dbraw/zinc/51/50/63/568515063.db2.gz JUSWNKTYDDDXGN-UHFFFAOYSA-N -1 0 413.499 4.270 50 0 HIAARM Cc1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(O)cc5)coc4c32)o1 ZINC000096114413 568693958 /nfs/dbraw/zinc/69/39/58/568693958.db2.gz LOCDWFDMOXEKNU-AWEZNQCLSA-N -1 0 404.374 4.214 50 0 HIAARM COC(=O)C[C@H](c1ccco1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096115813 568695447 /nfs/dbraw/zinc/69/54/47/568695447.db2.gz HBCCMDUILQTLRU-CQSZACIVSA-N -1 0 406.390 4.159 50 0 HIAARM Cc1[nH]c(-c2nnc(C3CC3)o2)c(C)c1S(=O)(=O)[N-]c1ccccc1C(C)C ZINC000096379463 568741046 /nfs/dbraw/zinc/74/10/46/568741046.db2.gz MHMHVCGJUWUFFN-UHFFFAOYSA-N -1 0 400.504 4.483 50 0 HIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3cccc4ccccc43)cc2)no1 ZINC000000945475 568754484 /nfs/dbraw/zinc/75/44/84/568754484.db2.gz JLDOJVOTRYCKTH-UHFFFAOYSA-N -1 0 421.478 4.118 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)Nc3ccc(F)cc3C)c2)c(C)c1 ZINC000021931949 568761801 /nfs/dbraw/zinc/76/18/01/568761801.db2.gz PSRFGHVADZMBPB-UHFFFAOYSA-N -1 0 413.474 4.199 50 0 HIAARM O=S(=O)([N-]c1ncn(Cc2c(F)cccc2Cl)n1)c1ccc2ccccc2c1 ZINC000002789612 568809160 /nfs/dbraw/zinc/80/91/60/568809160.db2.gz AAFDTWHYYGSNRS-UHFFFAOYSA-N -1 0 416.865 4.073 50 0 HIAARM CCCn1c(=O)c2ccc(C(=O)NCCSCc3ccccc3)cc2[n-]c1=S ZINC000003043790 568848343 /nfs/dbraw/zinc/84/83/43/568848343.db2.gz FSPBQVYDAVERKA-UHFFFAOYSA-N -1 0 413.568 4.132 50 0 HIAARM COc1ccccc1Cn1c(=O)c2ccc(C(=O)N3CCCCCC3)cc2[n-]c1=S ZINC000003043858 568848411 /nfs/dbraw/zinc/84/84/11/568848411.db2.gz KIJGESMCDQLALW-UHFFFAOYSA-N -1 0 423.538 4.132 50 0 HIAARM O=C(c1ccc2c(=O)n(Cc3ccc(Cl)cc3)c(=S)[n-]c2c1)N1CCCCC1 ZINC000003043792 568848444 /nfs/dbraw/zinc/84/84/44/568848444.db2.gz AKPOYZGAYLVSIQ-UHFFFAOYSA-N -1 0 413.930 4.013 50 0 HIAARM Cc1ccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c(C)c1 ZINC000012548493 568851694 /nfs/dbraw/zinc/85/16/94/568851694.db2.gz FPGPBZJEPGKVQJ-UHFFFAOYSA-N -1 0 414.552 4.438 50 0 HIAARM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000003135713 568857801 /nfs/dbraw/zinc/85/78/01/568857801.db2.gz KFLCZDSXISGZQI-VXGBXAGGSA-N -1 0 400.740 4.205 50 0 HIAARM CCCCCn1c(=O)c2ccc(C(=O)NCc3ccc(OC)cc3)cc2[n-]c1=S ZINC000003631154 568865243 /nfs/dbraw/zinc/86/52/43/568865243.db2.gz WIKGNURHPRRRIC-UHFFFAOYSA-N -1 0 411.527 4.188 50 0 HIAARM Cc1nn(-c2ccccc2)c2[n-]cc(C(=O)N3c4ccc(F)cc4CC[C@H]3C)c(=O)c12 ZINC000015391734 568885252 /nfs/dbraw/zinc/88/52/52/568885252.db2.gz MLRYCLMBGPPFJF-CQSZACIVSA-N -1 0 416.456 4.143 50 0 HIAARM O=S(=O)([N-]c1ccc(F)cc1)c1cc(Br)ccc1Br ZINC000003360328 568887530 /nfs/dbraw/zinc/88/75/30/568887530.db2.gz GCIXQIKVYNQWOM-UHFFFAOYSA-N -1 0 409.074 4.152 50 0 HIAARM Cc1ccc(C)c(-n2c(S[C@H](C)C(=O)[O-])nc3sc4c(c3c2=O)CCC4)c1 ZINC000003378563 568891759 /nfs/dbraw/zinc/89/17/59/568891759.db2.gz PYRBFOGFIYZWMU-GFCCVEGCSA-N -1 0 400.525 4.118 50 0 HIAARM CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCCCC(=O)[O-] ZINC000004028166 568934012 /nfs/dbraw/zinc/93/40/12/568934012.db2.gz CFRBBWPHUQTQFD-SGRRYWTJSA-N -1 0 423.594 4.401 50 0 biogenic HIAARM CCOc1ccc2nc([N-]c3nc4ccc(S(C)(=O)=O)cc4s3)sc2c1 ZINC000004137764 568945632 /nfs/dbraw/zinc/94/56/32/568945632.db2.gz LZFOVNAVQVJALW-UHFFFAOYSA-N -1 0 405.526 4.452 50 0 HIAARM C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccco2)c3=O)[C@@H]1C ZINC000004192316 568950477 /nfs/dbraw/zinc/95/04/77/568950477.db2.gz BMKOENPMJIDQAP-LBTNJELSSA-N -1 0 411.527 4.255 50 0 HIAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc2[nH]c3c(c2cc1CC)C(=O)CCC3 ZINC000015733855 568983248 /nfs/dbraw/zinc/98/32/48/568983248.db2.gz XHEDLVIYVQVKSC-UHFFFAOYSA-N -1 0 412.511 4.449 50 0 HIAARM Cc1cc2nc3s/c(=C/c4ccc(-c5cccc(C(=O)[O-])c5)o4)c(=O)n3c2cc1C ZINC000008443188 569003479 /nfs/dbraw/zinc/00/34/79/569003479.db2.gz JUQGOGQMRRNBFF-RGVLZGJSSA-N -1 0 416.458 4.032 50 0 HIAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000006146636 569014498 /nfs/dbraw/zinc/01/44/98/569014498.db2.gz MNDXPTAISVPNCL-UHFFFAOYSA-N -1 0 402.422 4.326 50 0 HIAARM Cc1cc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)no1 ZINC000006146577 569014524 /nfs/dbraw/zinc/01/45/24/569014524.db2.gz NAEFQDQRGIJJFU-UHFFFAOYSA-N -1 0 413.499 4.270 50 0 HIAARM Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012941307 569028679 /nfs/dbraw/zinc/02/86/79/569028679.db2.gz PRIRGZWTJZLFJP-OAHLLOKOSA-N -1 0 415.921 4.032 50 0 HIAARM COC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])sc(C)c1-c1ccc(F)cc1 ZINC000006184268 569029098 /nfs/dbraw/zinc/02/90/98/569029098.db2.gz SHCLXHVYOCABKX-LSDHHAIUSA-N -1 0 417.458 4.255 50 0 HIAARM CC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC000002460276 569031721 /nfs/dbraw/zinc/03/17/21/569031721.db2.gz XLEUAGVMRGUXHB-UHFFFAOYSA-N -1 0 400.481 4.004 50 0 HIAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1)N1CCc2ccccc21 ZINC000006454843 569053527 /nfs/dbraw/zinc/05/35/27/569053527.db2.gz KUTKSPAJYIZJAJ-UHFFFAOYSA-N -1 0 412.898 4.344 50 0 HIAARM COc1cc(OC)c(C(=O)CSc2ccccc2C(=O)[O-])cc1Br ZINC000006453562 569053536 /nfs/dbraw/zinc/05/35/36/569053536.db2.gz IFEUILWQMDDGNI-UHFFFAOYSA-N -1 0 411.273 4.140 50 0 HIAARM CC(C)(C)C(=O)Nc1ccc(N2CCN(c3ccc(Cl)cc3)CC2)cc1C(=O)[O-] ZINC000064589944 569069103 /nfs/dbraw/zinc/06/91/03/569069103.db2.gz GJNJVVUSKJFPIW-UHFFFAOYSA-N -1 0 415.921 4.349 50 0 HIAARM CCCn1nc(C)cc1CN(C)c1ccc(C(=O)[O-])cc1NC(=O)c1cccs1 ZINC000064820586 569102703 /nfs/dbraw/zinc/10/27/03/569102703.db2.gz GZLVCRASXDOFOC-UHFFFAOYSA-N -1 0 412.515 4.250 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)cc1Cl ZINC000064947302 569129137 /nfs/dbraw/zinc/12/91/37/569129137.db2.gz SCCLQIYRFDSGJU-UHFFFAOYSA-N -1 0 409.870 4.091 50 0 HIAARM CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3ccc(SC)cc3)c(C)n2CC)o1 ZINC000065186621 569192264 /nfs/dbraw/zinc/19/22/64/569192264.db2.gz XIJAUPIVQRNQKZ-UHFFFAOYSA-N -1 0 420.560 4.260 50 0 HIAARM CCc1ccc(Nc2nc(Nc3ccc(CC)cc3)nc(N[C@@H](C)C(=O)[O-])n2)cc1 ZINC000007498922 569242713 /nfs/dbraw/zinc/24/27/13/569242713.db2.gz CZVHWIXETILLPO-AWEZNQCLSA-N -1 0 406.490 4.369 50 0 HIAARM CCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000007505333 569243436 /nfs/dbraw/zinc/24/34/36/569243436.db2.gz ZJWIBVWEUCMPCT-UHFFFAOYSA-N -1 0 417.405 4.066 50 0 HIAARM O=c1[nH]c2ccccc2nc1-c1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000170615654 569247300 /nfs/dbraw/zinc/24/73/00/569247300.db2.gz AEUFTLSEOIKJQJ-UHFFFAOYSA-N -1 0 411.870 4.044 50 0 HIAARM O=C([O-])CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc21 ZINC000084757007 569270137 /nfs/dbraw/zinc/27/01/37/569270137.db2.gz FGQFOYHRJSUHMR-UHFFFAOYSA-N -1 0 404.289 4.237 50 0 fda HIAARM Cc1ccc(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000017042250 569272374 /nfs/dbraw/zinc/27/23/74/569272374.db2.gz UIZQXXBPAOEEIX-UHFFFAOYSA-N -1 0 421.931 4.087 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3ccc(C)c(C)c3)cs2)cc1 ZINC000017051049 569272482 /nfs/dbraw/zinc/27/24/82/569272482.db2.gz JYYAJUSVOLZCPE-UHFFFAOYSA-N -1 0 415.540 4.050 50 0 HIAARM Cc1coc2c1cc1c(C)c(CCC(=O)NCCCCCC(=O)[O-])c(=O)oc1c2C ZINC000002107737 569283183 /nfs/dbraw/zinc/28/31/83/569283183.db2.gz AESSNKUDXCWZPB-UHFFFAOYSA-N -1 0 413.470 4.158 50 0 biogenic HIAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCCCC(=O)[O-])occ3C(C)(C)C ZINC000002113485 569284099 /nfs/dbraw/zinc/28/40/99/569284099.db2.gz ROXOIUFTQOSJNQ-UHFFFAOYSA-N -1 0 413.470 4.059 50 0 biogenic HIAARM Cc1oc2cc3oc(=O)c(CCC(=O)NCCCCCC(=O)[O-])c(C)c3cc2c1C ZINC000002153281 569290112 /nfs/dbraw/zinc/29/01/12/569290112.db2.gz BFMNHOHBQAEFJC-UHFFFAOYSA-N -1 0 413.470 4.158 50 0 biogenic HIAARM CCCC[C@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)[O-] ZINC000002156171 569290412 /nfs/dbraw/zinc/29/04/12/569290412.db2.gz PFWOPTMGKWBPBJ-SFHVURJKSA-N -1 0 413.470 4.075 50 0 biogenic HIAARM C[C@](COc1ccccc1)(NC(=O)c1ccc(-c2nc3ccccc3s2)o1)C(=O)[O-] ZINC000170671743 569297756 /nfs/dbraw/zinc/29/77/56/569297756.db2.gz ASIGBYBJLACXPC-JOCHJYFZSA-N -1 0 422.462 4.208 50 0 HIAARM O=S(=O)([N-]c1cccc2oc(C(F)(F)F)nc21)c1ccc(Br)cc1 ZINC000170674045 569297932 /nfs/dbraw/zinc/29/79/32/569297932.db2.gz DJGPIOMJJMWXMU-UHFFFAOYSA-N -1 0 421.194 4.410 50 0 HIAARM O=c1nc(CSc2nc3ccccc3c(=O)n2C2CCCC2)[n-]c2ccsc21 ZINC000007735400 569304744 /nfs/dbraw/zinc/30/47/44/569304744.db2.gz MCTKYBOGQAIZRW-UHFFFAOYSA-N -1 0 410.524 4.102 50 0 HIAARM O=C(c1ccccc1)c1ccc2c(c1[O-])[C@H](c1coc3ccccc3c1=O)CC(=O)O2 ZINC000253396264 569365282 /nfs/dbraw/zinc/36/52/82/569365282.db2.gz AYGIFSFTVJUCOI-KRWDZBQOSA-N -1 0 412.397 4.171 50 0 HIAARM CCOc1ccc(-c2[nH]nc3nc(-c4cccc(OC)c4OC)cc(C(=O)[O-])c32)cc1 ZINC000013363514 569411936 /nfs/dbraw/zinc/41/19/36/569411936.db2.gz SAJFGEVPNZWUPK-UHFFFAOYSA-N -1 0 419.437 4.406 50 0 HIAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2CC(C)C ZINC000008840854 571124053 /nfs/dbraw/zinc/12/40/53/571124053.db2.gz CKOHIXXCRJRLHI-UHFFFAOYSA-N -1 0 416.543 4.048 50 0 HIAARM COc1ccc(C)cc1NC(=O)[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000008850716 571126844 /nfs/dbraw/zinc/12/68/44/571126844.db2.gz ANXFGAABLYTXOR-JOCHJYFZSA-N -1 0 404.466 4.171 50 0 HIAARM CCOC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccccc1OCC ZINC000009002301 571209760 /nfs/dbraw/zinc/20/97/60/571209760.db2.gz HUFZCWYMUNUTOP-UHFFFAOYSA-N -1 0 405.497 4.278 50 0 HIAARM Cc1cc(C)c2c([N-]S(=O)(=O)c3ccc(Br)c(C)c3)nsc2n1 ZINC000009319644 571247963 /nfs/dbraw/zinc/24/79/63/571247963.db2.gz LMWNHXAKWKRLTE-UHFFFAOYSA-N -1 0 412.334 4.180 50 0 HIAARM O=C1CCc2cc(S(=O)(=O)[N-]c3cccc(Oc4ccccc4)c3)c(F)cc2N1 ZINC000069949047 571250860 /nfs/dbraw/zinc/25/08/60/571250860.db2.gz MEXVNKWGXJOKQR-UHFFFAOYSA-N -1 0 412.442 4.304 50 0 HIAARM CS(=O)(=O)[N-]c1nc2cc(NC(=O)Nc3ccc(F)c(Cl)c3)ccc2s1 ZINC000021357484 571309925 /nfs/dbraw/zinc/30/99/25/571309925.db2.gz FPHCGDJUVWPMTF-UHFFFAOYSA-N -1 0 414.871 4.104 50 0 HIAARM O=C([O-])c1ccc(C=NNC(=O)c2ccccc2OCc2ccccc2Cl)cc1 ZINC000254757751 854214239 /nfs/dbraw/zinc/21/42/39/854214239.db2.gz AZFRTAADCVHVQF-UHFFFAOYSA-N -1 0 408.841 4.381 50 0 HIAARM O=C([O-])c1cc(NC(=O)c2ccccc2)ccc1N1CCN(c2ccccc2F)CC1 ZINC000033078662 132502858 /nfs/dbraw/zinc/50/28/58/132502858.db2.gz HMTFIAVSYKKYEX-UHFFFAOYSA-N -1 0 419.456 4.103 50 0 HIAARM Cc1oc(-c2ccccc2)nc1CCC(=O)c1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1 ZINC000001851105 340282092 /nfs/dbraw/zinc/28/20/92/340282092.db2.gz QQKNSPHAFATFNQ-HXUWFJFHSA-N -1 0 420.490 4.360 50 0 in-man HIAARM CN(c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000032932360 523654328 /nfs/dbraw/zinc/65/43/28/523654328.db2.gz MCQGNWMCCIAEGZ-UHFFFAOYSA-N -1 0 410.495 4.273 50 0 HIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2onc(C)c2C)ccc1OC ZINC000020580746 524246056 /nfs/dbraw/zinc/24/60/56/524246056.db2.gz DQPRJPKUHAPTRQ-UHFFFAOYSA-N -1 0 422.890 4.430 50 0 HIAARM Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3)C(=O)[N-]C2=S)c1 ZINC000000977378 524411536 /nfs/dbraw/zinc/41/15/36/524411536.db2.gz KUXBTVGYXBJEDV-RCCKNPSSSA-N -1 0 419.550 4.125 50 0 HIAARM CSCC[C@H](NC(=O)c1sc(-c2ccc(Cl)cc2Cl)nc1C)C(=O)[O-] ZINC000040285249 525593303 /nfs/dbraw/zinc/59/33/03/525593303.db2.gz NADGPDFDLVMHMW-LBPRGKRZSA-N -1 0 419.355 4.361 50 0 HIAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@@]21C(=O)Nc2cc(F)ccc21 ZINC000032071512 526411585 /nfs/dbraw/zinc/41/15/85/526411585.db2.gz XFBYLKGPTCXCAH-NRFANRHFSA-N -1 0 408.410 4.482 50 0 HIAARM O=C([O-])C1CCN(c2nc3ccc(Br)cc3c(-c3ccccc3)n2)CC1 ZINC000000889790 527565993 /nfs/dbraw/zinc/56/59/93/527565993.db2.gz XGCSUNFOFFAOCN-UHFFFAOYSA-N -1 0 412.287 4.360 50 0 HIAARM CC(C)(C)O[C@@H]1C[C@H](C(=O)[O-])N(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000000621987 557019431 /nfs/dbraw/zinc/01/94/31/557019431.db2.gz WPBXBYOKQUEIDW-QVKFZJNVSA-N -1 0 409.482 4.278 50 0 HIAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCC3)ccc2Cl)c(C)c1 ZINC000001072860 557171019 /nfs/dbraw/zinc/17/10/19/557171019.db2.gz OCNHTEBENPKLPZ-UHFFFAOYSA-N -1 0 406.935 4.384 50 0 HIAARM Cc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4C(=O)[O-])cc3C2=O)c(C)c1 ZINC000001216840 557246359 /nfs/dbraw/zinc/24/63/59/557246359.db2.gz WNIGCXYAPJDTJN-UHFFFAOYSA-N -1 0 414.417 4.055 50 0 HIAARM COc1cccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c1 ZINC000002243984 557330693 /nfs/dbraw/zinc/33/06/93/557330693.db2.gz IKKQVAWYVGALAQ-QHCPKHFHSA-N -1 0 417.461 4.230 50 0 HIAARM O=C([O-])CSc1nc2cc(-c3ccccc3)sc2c(=O)n1Cc1ccccc1 ZINC000002651882 557361034 /nfs/dbraw/zinc/36/10/34/557361034.db2.gz DZMOXPRSPKGSAK-UHFFFAOYSA-N -1 0 408.504 4.350 50 0 HIAARM O=C([O-])c1ccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2Cl)cc1 ZINC000002956737 557430921 /nfs/dbraw/zinc/43/09/21/557430921.db2.gz RKXIVJOPNMIWTE-LDADJPATSA-N -1 0 410.813 4.041 50 0 HIAARM CCOc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000003294489 557469053 /nfs/dbraw/zinc/46/90/53/557469053.db2.gz SMWMQCFZCYLJSZ-UHFFFAOYSA-N -1 0 411.479 4.179 50 0 HIAARM COC(=O)c1c(-c2cc(C)ccc2C)csc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000003864132 557501593 /nfs/dbraw/zinc/50/15/93/557501593.db2.gz JZLQLDFYODLNLD-GJZGRUSLSA-N -1 0 413.495 4.424 50 0 HIAARM O=C([O-])c1ccc(-c2ccc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)o2)cc1 ZINC000004472418 557556766 /nfs/dbraw/zinc/55/67/66/557556766.db2.gz INBXXCNLHSFDMY-GZTJUZNOSA-N -1 0 408.797 4.396 50 0 HIAARM CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000005094777 557635395 /nfs/dbraw/zinc/63/53/95/557635395.db2.gz YHQQZTIVNVWNBT-CABCVRRESA-N -1 0 417.458 4.336 50 0 HIAARM S=c1[n-]nc(CNc2ccc(I)cc2)n1-c1ccccc1 ZINC000005557356 557661738 /nfs/dbraw/zinc/66/17/38/557661738.db2.gz KHFAZMLKZNRWPK-UHFFFAOYSA-N -1 0 408.268 4.147 50 0 HIAARM Cc1cccc(C)c1OCC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000005748195 557672738 /nfs/dbraw/zinc/67/27/38/557672738.db2.gz FEMMOHHHQWEWSE-UHFFFAOYSA-N -1 0 418.449 4.271 50 0 HIAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccnc3)ccc2Cl)cc1C ZINC000006139263 557690067 /nfs/dbraw/zinc/69/00/67/557690067.db2.gz WBXQYFGDNVJLSG-UHFFFAOYSA-N -1 0 415.902 4.405 50 0 HIAARM S=C(NCc1ccccc1)NN=c1nc(-c2ccccc2)c(-c2ccccc2)n[n-]1 ZINC000006574879 557708916 /nfs/dbraw/zinc/70/89/16/557708916.db2.gz MMXBCDJEYARDAE-UHFFFAOYSA-N -1 0 412.522 4.197 50 0 HIAARM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccccc1Br ZINC000007052712 557734075 /nfs/dbraw/zinc/73/40/75/557734075.db2.gz QURJCDSFGRVDII-UHFFFAOYSA-N -1 0 405.111 4.321 50 0 HIAARM CCc1nc2sc([C@H](c3cccc(Br)c3)N3CCCCC3)c([O-])n2n1 ZINC000022853040 557839969 /nfs/dbraw/zinc/83/99/69/557839969.db2.gz OROLCLMOPWBBSV-HNNXBMFYSA-N -1 0 421.364 4.397 50 0 HIAARM Cc1nn(CC(=O)[O-])c2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)c12 ZINC000020604464 558386836 /nfs/dbraw/zinc/38/68/36/558386836.db2.gz SSDXZGGYIAOWHO-UHFFFAOYSA-N -1 0 414.181 4.273 50 0 HIAARM Cc1c2c(cc(=O)n1CCc1c[nH]c3ccc(Cl)cc13)[n-]n(-c1ccccc1)c2=O ZINC000012408270 558399117 /nfs/dbraw/zinc/39/91/17/558399117.db2.gz KQFXUMNTEAESFH-UHFFFAOYSA-N -1 0 418.884 4.166 50 0 HIAARM CCCOc1c(Br)c(Br)c(/C=C/C(=O)[O-])cc1OCC ZINC000022077321 558462801 /nfs/dbraw/zinc/46/28/01/558462801.db2.gz GWTUHJGYVXGBAB-AATRIKPKSA-N -1 0 408.086 4.497 50 0 HIAARM Cc1c(C(=O)[O-])sc2nc3n(c(=O)c12)CC/C3=C/c1ccc(OC(F)F)cc1 ZINC000013113022 558515558 /nfs/dbraw/zinc/51/55/58/558515558.db2.gz CPXGPWGLEBXUFH-FLIBITNWSA-N -1 0 404.394 4.010 50 0 HIAARM O=C([O-])CCn1c(SCc2cc(-c3cccs3)on2)nnc1-c1cccs1 ZINC000013333090 558530241 /nfs/dbraw/zinc/53/02/41/558530241.db2.gz WCJIAKIPKFOBPB-UHFFFAOYSA-N -1 0 418.525 4.490 50 0 HIAARM CCc1c([O-])nc(SCC(=O)Nc2ccc(Cl)cc2)n(C2CCCCC2)c1=O ZINC000013957318 558607874 /nfs/dbraw/zinc/60/78/74/558607874.db2.gz ORSHJEAJBAXOMQ-UHFFFAOYSA-N -1 0 421.950 4.401 50 0 HIAARM O=C([O-])[C@@H](CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccc(F)cc1 ZINC000024978101 558623814 /nfs/dbraw/zinc/62/38/14/558623814.db2.gz GMVOUULFKULXMF-IBGZPJMESA-N -1 0 406.413 4.275 50 0 HIAARM C[C@@H](C(=O)[O-])C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000034927261 558787806 /nfs/dbraw/zinc/78/78/06/558787806.db2.gz LAFPOPYNMDECEJ-QGZVFWFLSA-N -1 0 403.482 4.112 50 0 HIAARM O=C([O-])c1coc(CN(CCc2c[nH]c3ccccc23)Cc2ccc(F)cc2F)n1 ZINC000036054058 558797247 /nfs/dbraw/zinc/79/72/47/558797247.db2.gz ZPSAOJXCZBGUDM-UHFFFAOYSA-N -1 0 411.408 4.377 50 0 HIAARM COc1cc(C(=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 ZINC000036815217 558803247 /nfs/dbraw/zinc/80/32/47/558803247.db2.gz FIDLJFYDDBKAEF-UHFFFAOYSA-N -1 0 416.065 4.497 50 0 HIAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(-c2cn3ccccc3n2)cc1 ZINC000016780413 558806786 /nfs/dbraw/zinc/80/67/86/558806786.db2.gz KQHXURQKVASNLG-UHFFFAOYSA-N -1 0 413.886 4.464 50 0 HIAARM Cc1sc(NC(=O)CC2(CC(=O)[O-])CCCC2)c(C(N)=O)c1-c1ccccc1 ZINC000017081929 558813812 /nfs/dbraw/zinc/81/38/12/558813812.db2.gz UIHADCSJGUIAJQ-UHFFFAOYSA-N -1 0 400.500 4.186 50 0 HIAARM Cc1ccc(CNC(=O)c2c(NC(=O)CCCC(=O)[O-])sc3c2CCCC3)cc1 ZINC000017090022 558818568 /nfs/dbraw/zinc/81/85/68/558818568.db2.gz VQERAMPMQSOMEB-UHFFFAOYSA-N -1 0 414.527 4.059 50 0 HIAARM Cc1sc(NC(=O)CCCC(=O)[O-])c(C(N)=O)c1-c1ccc(Cl)cc1Cl ZINC000017090217 558818792 /nfs/dbraw/zinc/81/87/92/558818792.db2.gz KVOASRSUYNBUNM-UHFFFAOYSA-N -1 0 415.298 4.323 50 0 HIAARM Cc1ccc(NC(=O)c2c3c(sc2NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])CCC3)cc1 ZINC000017093992 558822348 /nfs/dbraw/zinc/82/23/48/558822348.db2.gz ADBCIAIEDYZEHA-JKSUJKDBSA-N -1 0 424.522 4.403 50 0 HIAARM O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Cl)cc1Cl ZINC000000910369 558835771 /nfs/dbraw/zinc/83/57/71/558835771.db2.gz OZWZCRUQNGANOX-NTUHNPAUSA-N -1 0 412.070 4.217 50 0 HIAARM Cc1ccccc1N1CCN(c2ccccc2NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1 ZINC000004661716 558874686 /nfs/dbraw/zinc/87/46/86/558874686.db2.gz XESHUQUOBXVRSV-VQTJNVASSA-N -1 0 421.541 4.151 50 0 HIAARM Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)[O-])c2)cc1C ZINC000033253445 558921569 /nfs/dbraw/zinc/92/15/69/558921569.db2.gz AICXTWMMOCTFPH-UHFFFAOYSA-N -1 0 416.543 4.347 50 0 HIAARM CCCCN(CC)c1ccc(NS(=O)(=O)c2ccc(C)cc2C)cc1C(=O)[O-] ZINC000033253561 558921779 /nfs/dbraw/zinc/92/17/79/558921779.db2.gz ROLHWKSGZMKRGD-UHFFFAOYSA-N -1 0 404.532 4.429 50 0 HIAARM Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC[C@H](C)C2)cc1C ZINC000033253969 558922208 /nfs/dbraw/zinc/92/22/08/558922208.db2.gz USUUQQUPBKFNHU-AWEZNQCLSA-N -1 0 416.543 4.347 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000004865484 559193809 /nfs/dbraw/zinc/19/38/09/559193809.db2.gz IUJIDNPWDVVXMN-IRXDYDNUSA-N -1 0 410.543 4.221 50 0 HIAARM Cc1cccc(-n2c(S[C@@H](C)C(=O)[O-])nc3sc4c(c3c2=O)CCCC4)c1 ZINC000004871838 559194433 /nfs/dbraw/zinc/19/44/33/559194433.db2.gz FFUCJHMHQWLLAX-LBPRGKRZSA-N -1 0 400.525 4.200 50 0 HIAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3C(=O)C[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@]21C ZINC000011616479 560211333 /nfs/dbraw/zinc/21/13/33/560211333.db2.gz OHXPGWPVLFPUSM-OYETXGHDSA-N -1 0 402.531 4.073 50 0 in-vitro HIAARM CC(C)Cn1c(=O)c(C(=O)Nc2ccccc2Br)c([O-])c2ccccc21 ZINC000005384350 560575667 /nfs/dbraw/zinc/57/56/67/560575667.db2.gz HKULGGNLZVTTBE-UHFFFAOYSA-N -1 0 415.287 4.378 50 0 HIAARM O=S(=O)([N-]c1nc2ccccc2nc1NCc1ccco1)c1cccc(Cl)c1 ZINC000017198285 560704231 /nfs/dbraw/zinc/70/42/31/560704231.db2.gz BMAAERCISRCJPV-UHFFFAOYSA-N -1 0 414.874 4.289 50 0 HIAARM O=C([O-])c1ccc(NC(=S)NC(=O)c2cccc(COc3ccccc3)c2)cc1 ZINC000001126362 560727226 /nfs/dbraw/zinc/72/72/26/560727226.db2.gz BUAMTDHTXZNPGL-UHFFFAOYSA-N -1 0 406.463 4.091 50 0 HIAARM CSc1ccc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1 ZINC000101264352 560789551 /nfs/dbraw/zinc/78/95/51/560789551.db2.gz UMMITTVSECNVIF-YPAWHYETSA-N -1 0 416.502 4.460 50 0 HIAARM CCCCc1c(C)[n-]n(-c2nc(C)c(C(=O)Nc3cccc(OC)c3)s2)c1=O ZINC000101505292 560796602 /nfs/dbraw/zinc/79/66/02/560796602.db2.gz DTMFAUJAPCRZTK-UHFFFAOYSA-N -1 0 400.504 4.255 50 0 HIAARM O=C(Nc1ccc(F)cc1Cl)c1c([O-])c2cccnc2n(Cc2ccccc2)c1=O ZINC000101722806 560799010 /nfs/dbraw/zinc/79/90/10/560799010.db2.gz NKCYRZRHYFPIGW-UHFFFAOYSA-N -1 0 423.831 4.195 50 0 HIAARM CCn1c2ccccc2c([O-])c(-c2nc(-c3ccc(OCC(C)C)cc3)no2)c1=O ZINC000101725504 560799870 /nfs/dbraw/zinc/79/98/70/560799870.db2.gz UQESRBDQSZQHOH-UHFFFAOYSA-N -1 0 405.454 4.479 50 0 HIAARM COc1ccc(Cl)cc1NC(=O)CCc1c(C)[n-]n(-c2nc(C)c(C)s2)c1=O ZINC000101833218 560803163 /nfs/dbraw/zinc/80/31/63/560803163.db2.gz FAAOOUICBBGXCN-UHFFFAOYSA-N -1 0 420.922 4.193 50 0 HIAARM Cc1ccc([C@@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccc(C)c(Cl)c4)cnn32)cc1 ZINC000102901438 560835010 /nfs/dbraw/zinc/83/50/10/560835010.db2.gz IIQXJGZGAYVNPV-IBGZPJMESA-N -1 0 422.872 4.389 50 0 HIAARM CC(C)CCNC(=O)c1ccc2[nH]cc3c(=O)n(-c4ccc(Cl)cc4)nc-3c2c1 ZINC000101282214 560851627 /nfs/dbraw/zinc/85/16/27/560851627.db2.gz NBRCEOOFCGPWKI-UHFFFAOYSA-N -1 0 408.889 4.248 50 0 HIAARM CC1(C)Cc2oc3ccc(NS(=O)(=O)c4ccc(C(=O)[O-])cc4)cc3c2C(=O)C1 ZINC000000816422 568495409 /nfs/dbraw/zinc/49/54/09/568495409.db2.gz ZYIUCJMYPGWUHD-UHFFFAOYSA-N -1 0 413.451 4.087 50 0 HIAARM COC(=O)C[C@H](c1ccc(-c2cccc(C(=O)[O-])c2)o1)c1c2[nH]snc-2ccc1=O ZINC000096224115 568706599 /nfs/dbraw/zinc/70/65/99/568706599.db2.gz AMCHHTSZFRLOPP-CYBMUJFWSA-N -1 0 424.434 4.050 50 0 HIAARM COc1ccc([C@@H]2Sc3[nH]c(=O)sc3[C@@H](c3ccc(C)cc3)[C@H]2C(=O)[O-])cc1 ZINC000096318989 568727549 /nfs/dbraw/zinc/72/75/49/568727549.db2.gz QGQUDATWLSETLA-BBWFWOEESA-N -1 0 413.520 4.433 50 0 HIAARM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)Nc1cccc(CC)c1 ZINC000240786120 568730617 /nfs/dbraw/zinc/73/06/17/568730617.db2.gz IANPXHUOASZRPI-NRFANRHFSA-N -1 0 406.530 4.494 50 0 HIAARM O=S(=O)([N-]c1ccc(F)c(-c2nnc[nH]2)c1)c1ccc(Cl)cc1C(F)(F)F ZINC000241287494 568730957 /nfs/dbraw/zinc/73/09/57/568730957.db2.gz LLXAOOFLWNOTEM-UHFFFAOYSA-N -1 0 420.775 4.084 50 0 HIAARM Cc1[nH]c(-c2nnc(C3CCC3)o2)c(C)c1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000096379512 568741024 /nfs/dbraw/zinc/74/10/24/568741024.db2.gz ZVMBEJFURFVJLM-UHFFFAOYSA-N -1 0 406.895 4.403 50 0 HIAARM Cc1nc2cc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3cccs3)ccc2o1 ZINC000028493579 568785448 /nfs/dbraw/zinc/78/54/48/568785448.db2.gz IZMSNNIFHRCAEY-UHFFFAOYSA-N -1 0 413.480 4.251 50 0 HIAARM Cc1cnn([C@@H](C)c2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)c1 ZINC000002731246 568804816 /nfs/dbraw/zinc/80/48/16/568804816.db2.gz WUGIHDKTZGCHNS-LBPRGKRZSA-N -1 0 417.901 4.433 50 0 HIAARM C[C@H]1CCc2c(sc3c2c(=O)n(-c2ccc(Cl)cc2)c2nnc([S-])n32)C1 ZINC000006008077 568835113 /nfs/dbraw/zinc/83/51/13/568835113.db2.gz KSIFIYGGIMWOFW-VIFPVBQESA-N -1 0 402.932 4.162 50 0 HIAARM O=C(NCc1cccnc1)c1ccc2c(c1)[n-]c(=S)n(CCC1=CCCCC1)c2=O ZINC000003043842 568848427 /nfs/dbraw/zinc/84/84/27/568848427.db2.gz IFETVGKNBVRITK-UHFFFAOYSA-N -1 0 420.538 4.275 50 0 HIAARM Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000012548509 568851625 /nfs/dbraw/zinc/85/16/25/568851625.db2.gz IDWZUSZVHBOEQH-UHFFFAOYSA-N -1 0 406.305 4.052 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2)ccc1C ZINC000003096176 568854928 /nfs/dbraw/zinc/85/49/28/568854928.db2.gz YQHBQOQLYDHJNX-UHFFFAOYSA-N -1 0 410.495 4.365 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc(O)c2)cc1 ZINC000003150582 568858396 /nfs/dbraw/zinc/85/83/96/568858396.db2.gz FLYJQQMLYRWBSQ-UHFFFAOYSA-N -1 0 406.467 4.188 50 0 HIAARM Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c(C)c1 ZINC000012605867 568871189 /nfs/dbraw/zinc/87/11/89/568871189.db2.gz HSECVQQVQKQKRL-UHFFFAOYSA-N -1 0 415.540 4.132 50 0 HIAARM O=C(Nc1cccc(Cl)c1)c1ccc2c(=O)n(Cc3ccco3)c(=S)[n-]c2c1 ZINC000003630185 568920914 /nfs/dbraw/zinc/92/09/14/568920914.db2.gz ZLSLDMRIYSFGQV-UHFFFAOYSA-N -1 0 411.870 4.232 50 0 HIAARM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)N(C)C)c(C)c1C ZINC000031776793 568931088 /nfs/dbraw/zinc/93/10/88/568931088.db2.gz DVBIYLHZHSFBSN-UHFFFAOYSA-N -1 0 408.951 4.385 50 0 HIAARM O=C([O-])[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc2c(c1)OCO2 ZINC000095748993 568936320 /nfs/dbraw/zinc/93/63/20/568936320.db2.gz RRMFGUXVVCDQAE-QFIPXVFZSA-N -1 0 417.417 4.080 50 0 HIAARM CCCOc1ccc(-c2cccc([N-]S(=O)(=O)c3cc(C)ccc3OC)c2)nn1 ZINC000004320234 568962900 /nfs/dbraw/zinc/96/29/00/568962900.db2.gz RHRSGBQMGIJOFI-UHFFFAOYSA-N -1 0 413.499 4.050 50 0 HIAARM CCOc1cc2c(cc1OCC)[C@@H](CC(=O)[O-])N(C(=O)Nc1ccc(F)cc1)CC2 ZINC000015781833 569002867 /nfs/dbraw/zinc/00/28/67/569002867.db2.gz ZTUBEQUDSHKUGI-GOSISDBHSA-N -1 0 416.449 4.229 50 0 HIAARM COC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(F)cc1 ZINC000006184266 569029060 /nfs/dbraw/zinc/02/90/60/569029060.db2.gz SHCLXHVYOCABKX-GJZGRUSLSA-N -1 0 417.458 4.255 50 0 HIAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2cccnc2)c1C ZINC000006244608 569034655 /nfs/dbraw/zinc/03/46/55/569034655.db2.gz LBBSWWZYJMOXGY-UHFFFAOYSA-N -1 0 423.538 4.046 50 0 HIAARM CCCCN(C)c1ncc(NS(=O)(=O)c2ccc(CC(C)C)cc2)cc1C(=O)[O-] ZINC000035397263 569034840 /nfs/dbraw/zinc/03/48/40/569034840.db2.gz JGRGLQCOQOMVEU-UHFFFAOYSA-N -1 0 419.547 4.015 50 0 HIAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N(C)Cc2ccccc2)cc1 ZINC000006267798 569036275 /nfs/dbraw/zinc/03/62/75/569036275.db2.gz QFWDQIXKQJNSOM-UHFFFAOYSA-N -1 0 424.522 4.158 50 0 HIAARM CCc1nc(-c2cc(S(=O)(=O)[N-]c3cccc(-c4ccno4)c3)c(C)s2)no1 ZINC000035539357 569043662 /nfs/dbraw/zinc/04/36/62/569043662.db2.gz AUXBKADYQZQVQT-UHFFFAOYSA-N -1 0 416.484 4.125 50 0 HIAARM CCc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(-c4ccno4)cc3)c(C)s2)no1 ZINC000035539355 569043710 /nfs/dbraw/zinc/04/37/10/569043710.db2.gz XATPSZIQPNVWHB-UHFFFAOYSA-N -1 0 416.484 4.125 50 0 HIAARM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=c3/sc4nc5ccccc5n4c3=O)o2)c1 ZINC000016545568 569058571 /nfs/dbraw/zinc/05/85/71/569058571.db2.gz GPZCFDMVIYKQOP-VCHYOVAHSA-N -1 0 422.849 4.069 50 0 HIAARM Cc1c2ccc(OCc3ccc(Br)cc3)cc2oc(=O)c1CC(=O)[O-] ZINC000004044148 569060745 /nfs/dbraw/zinc/06/07/45/569060745.db2.gz DJVYJPSLWDFYGB-UHFFFAOYSA-N -1 0 403.228 4.070 50 0 biogenic HIAARM Cc1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccccc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000064557734 569066799 /nfs/dbraw/zinc/06/67/99/569066799.db2.gz NTSBYINEGODSKI-HXUWFJFHSA-N -1 0 423.465 4.466 50 0 HIAARM Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)NCCCCCC(=O)[O-])c(C)c21 ZINC000006623994 569075451 /nfs/dbraw/zinc/07/54/51/569075451.db2.gz GCQHVHBVACGAQY-UHFFFAOYSA-N -1 0 413.470 4.077 50 0 biogenic HIAARM C[C@H]1CCc2c(sc3ncnc(SCc4nc(=O)c5sccc5[n-]4)c23)C1 ZINC000006653231 569082549 /nfs/dbraw/zinc/08/25/49/569082549.db2.gz XFNNTOHNPMNDJA-VIFPVBQESA-N -1 0 400.554 4.406 50 0 HIAARM Cc1sc(C)c(S(=O)(=O)[N-]c2cccc(-c3ccno3)c2)c1-c1ccno1 ZINC000064845277 569108056 /nfs/dbraw/zinc/10/80/56/569108056.db2.gz IPHHAZAIBKEWEI-UHFFFAOYSA-N -1 0 401.469 4.476 50 0 HIAARM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1)c1ccc(-c2nnc(C3CC3)o2)s1 ZINC000064920300 569121103 /nfs/dbraw/zinc/12/11/03/569121103.db2.gz WEAIAYJTZAIRBT-UHFFFAOYSA-N -1 0 415.418 4.495 50 0 HIAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3Br)o2)c1C ZINC000064958556 569135245 /nfs/dbraw/zinc/13/52/45/569135245.db2.gz SIVJDJFTFUMWPC-UHFFFAOYSA-N -1 0 411.277 4.423 50 0 HIAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(-c3cnc(C)o3)s2)c1 ZINC000065003944 569152314 /nfs/dbraw/zinc/15/23/14/569152314.db2.gz VTEMKKAGHXEAPE-UHFFFAOYSA-N -1 0 408.501 4.310 50 0 HIAARM COc1ccc(OC)c([C@H](c2sc3nc(C)nn3c2[O-])N(C)Cc2ccccc2)c1 ZINC000036370378 569154164 /nfs/dbraw/zinc/15/41/64/569154164.db2.gz JVXZROOCBYNFJN-LJQANCHMSA-N -1 0 424.526 4.043 50 0 HIAARM O=S(=O)([N-]c1ccc(Br)cc1F)c1ccc(-c2ccno2)s1 ZINC000065031090 569157252 /nfs/dbraw/zinc/15/72/52/569157252.db2.gz XTVKMYJPFRGHFT-UHFFFAOYSA-N -1 0 403.254 4.106 50 0 HIAARM C[C@H]1CCc2c(sc3[nH]c(=O)c(C(=O)Nc4ccc(F)cc4Cl)c([O-])c23)C1 ZINC000065150430 569184839 /nfs/dbraw/zinc/18/48/39/569184839.db2.gz PBPVVAIUHSDFJV-QMMMGPOBSA-N -1 0 406.866 4.465 50 0 HIAARM CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3C)c(C)n2C)o1 ZINC000065186505 569192106 /nfs/dbraw/zinc/19/21/06/569192106.db2.gz VVWUICTVLSOXNE-UHFFFAOYSA-N -1 0 408.911 4.017 50 0 HIAARM O=S(=O)([N-]c1ccc(-n2cnnc2)cc1)c1c(Cl)cc(Cl)cc1Cl ZINC000170617378 569248072 /nfs/dbraw/zinc/24/80/72/569248072.db2.gz LJWQTOHEBRDYIL-UHFFFAOYSA-N -1 0 403.678 4.028 50 0 HIAARM C/C(=C/C(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc(C)cc2C)cc1)C(=O)[O-] ZINC000013579311 569256494 /nfs/dbraw/zinc/25/64/94/569256494.db2.gz WSBJNPNVMNRTRT-RTYFKUQISA-N -1 0 412.511 4.392 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2cccs2)CC3)s1 ZINC000013696235 569257125 /nfs/dbraw/zinc/25/71/25/569257125.db2.gz ILYURXZYFJGSOP-UHFFFAOYSA-N -1 0 404.538 4.122 50 0 HIAARM O=C(C1CCCC1)N1CCc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc21 ZINC000013696324 569257201 /nfs/dbraw/zinc/25/72/01/569257201.db2.gz HJNRNWACMDRGDV-UHFFFAOYSA-N -1 0 410.948 4.282 50 0 HIAARM Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)[N-]c1cccc(Br)c1 ZINC000014254555 569259334 /nfs/dbraw/zinc/25/93/34/569259334.db2.gz HQYBUWQACLVVGA-UHFFFAOYSA-N -1 0 406.305 4.052 50 0 HIAARM CCC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3C(C)(C)C)C(=O)[O-] ZINC000002121057 569285528 /nfs/dbraw/zinc/28/55/28/569285528.db2.gz WQGIENWNHKPXGY-QGZVFWFLSA-N -1 0 413.470 4.057 50 0 biogenic HIAARM O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000007813991 569312447 /nfs/dbraw/zinc/31/24/47/569312447.db2.gz JAGNDVZMSFLGNZ-UHFFFAOYSA-N -1 0 411.479 4.084 50 0 HIAARM COc1ccc([C@@H]2CC(=O)Oc3ccc(C(=O)c4ccccc4)c([O-])c32)c(OC)c1 ZINC000253414698 569366967 /nfs/dbraw/zinc/36/69/67/569366967.db2.gz YGRZSTSNKLKYNI-SFHVURJKSA-N -1 0 404.418 4.081 50 0 HIAARM COc1ccc([C@@H](CC(=O)Nc2ccc(Cl)cc2)c2c([O-])cc(C)oc2=O)cc1 ZINC000253471106 569381135 /nfs/dbraw/zinc/38/11/35/569381135.db2.gz LSLZFKKCTGLUNW-GOSISDBHSA-N -1 0 413.857 4.477 50 0 HIAARM COCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000013041662 569408003 /nfs/dbraw/zinc/40/80/03/569408003.db2.gz GJJUYSWFVAPMLY-UHFFFAOYSA-N -1 0 409.813 4.185 50 0 HIAARM CC[C@@H](C)NC(=O)Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000013349433 569411010 /nfs/dbraw/zinc/41/10/10/569411010.db2.gz QORFXOSSSHDJGT-GFCCVEGCSA-N -1 0 404.517 4.017 50 0 HIAARM COc1cccc(-c2[nH]nc3nc(-c4cccc(OC)c4OC)cc(C(=O)[O-])c32)c1 ZINC000013363569 569412046 /nfs/dbraw/zinc/41/20/46/569412046.db2.gz YTHMXKDGHLBMPY-UHFFFAOYSA-N -1 0 405.410 4.016 50 0 HIAARM O=C(Nc1ccc([N-]S(=O)(=O)c2cccnc2)c(C(F)(F)F)c1)c1ccccc1 ZINC000079104301 569427605 /nfs/dbraw/zinc/42/76/05/569427605.db2.gz UQIAETBAVCEPBR-UHFFFAOYSA-N -1 0 421.400 4.154 50 0 HIAARM Cc1c2ccc(OCc3cccc(Br)c3)cc2oc(=O)c1CCC(=O)[O-] ZINC000009034123 571212926 /nfs/dbraw/zinc/21/29/26/571212926.db2.gz QFTKKGXHTQGGQW-UHFFFAOYSA-N -1 0 417.255 4.460 50 0 HIAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCCCC2)cc1Cl ZINC000009356440 571251079 /nfs/dbraw/zinc/25/10/79/571251079.db2.gz FYSZAQYGCFJLJG-UHFFFAOYSA-N -1 0 422.934 4.166 50 0 HIAARM O=C1Cc2cc(S(=O)(=O)[N-]c3ccccc3-c3nc4ccccc4s3)ccc2N1 ZINC000009477418 571261722 /nfs/dbraw/zinc/26/17/22/571261722.db2.gz VQESZZGJLVGESG-UHFFFAOYSA-N -1 0 421.503 4.259 50 0 HIAARM CCCC[C@@H](CC)CNC(=O)C(=C([O-])c1ccc(F)cc1)n1cc(Cl)ccc1=O ZINC000009763321 571284760 /nfs/dbraw/zinc/28/47/60/571284760.db2.gz SRECJNSQUAANKU-FOIQADDNSA-N -1 0 420.912 4.397 50 0 HIAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)Nc1ccccc1O2 ZINC000009827905 571286632 /nfs/dbraw/zinc/28/66/32/571286632.db2.gz JHVZDIRVAHYUCB-UHFFFAOYSA-N -1 0 424.478 4.471 50 0 HIAARM O=C1/C(=C\c2cc(Br)cc(Br)c2[O-])N=C2CCCCCN12 ZINC000003212147 845009147 /nfs/dbraw/zinc/00/91/47/845009147.db2.gz JSVDWSNABIGDOQ-KPKJPENVSA-N -1 0 414.097 4.073 50 0 HIAARM O=C([O-])/C=C/c1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000012476148 845874660 /nfs/dbraw/zinc/87/46/60/845874660.db2.gz DXHLHYJGBKBCGK-OVCLIPMQSA-N -1 0 409.463 4.164 50 0 HIAARM Cc1ccc(OCC(=O)[O-])c2c1[C@@H](C)/C(=C/c1cnn(Cc3ccccc3)c1)C2=O ZINC000170591755 853668185 /nfs/dbraw/zinc/66/81/85/853668185.db2.gz UJOWNNFQLUECKI-WSLMLHKMSA-N -1 0 402.450 4.087 50 0 HIAARM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2ccco2)CCC3)s1 ZINC000005136522 132302569 /nfs/dbraw/zinc/30/25/69/132302569.db2.gz JETXMFGKBHLAQK-UHFFFAOYSA-N -1 0 416.524 4.297 50 0 HIAARM COc1ccc(/C=C2/Sc3ccccc3N(CC(=O)[O-])C2=O)cc1Br ZINC000020676705 132470740 /nfs/dbraw/zinc/47/07/40/132470740.db2.gz QRWAZKPWGGRVLJ-CXUHLZMHSA-N -1 0 420.284 4.022 50 0 HIAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C1(c2cccc(Cl)c2)CCCC1 ZINC000032059357 523571848 /nfs/dbraw/zinc/57/18/48/523571848.db2.gz YPRRVXVPVNHUGQ-UHFFFAOYSA-N -1 0 401.919 4.108 50 0 HIAARM COc1cccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(F)cc4)c32)c1OC ZINC000040287495 524175165 /nfs/dbraw/zinc/17/51/65/524175165.db2.gz LXCXYDYGYBZALP-OAHLLOKOSA-N -1 0 410.401 4.455 50 0 HIAARM Cc1cccc(S(=O)(=O)Nc2ccc(N3CCCCCCC3)c(C(=O)[O-])c2)c1 ZINC000032962196 524806021 /nfs/dbraw/zinc/80/60/21/524806021.db2.gz JQNMFWBHZWGRKK-UHFFFAOYSA-N -1 0 402.516 4.265 50 0 HIAARM O=C([O-])c1ccccc1C(=O)Nc1cccc(-c2noc(-c3cccc(F)c3)n2)c1 ZINC000032609951 526395519 /nfs/dbraw/zinc/39/55/19/526395519.db2.gz ZFKMBFFRZMFKFT-UHFFFAOYSA-N -1 0 403.369 4.493 50 0 HIAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@]21C(=O)Nc2cc(F)ccc21 ZINC000032071514 526411452 /nfs/dbraw/zinc/41/14/52/526411452.db2.gz XFBYLKGPTCXCAH-OAQYLSRUSA-N -1 0 408.410 4.482 50 0 HIAARM O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000032144543 527174856 /nfs/dbraw/zinc/17/48/56/527174856.db2.gz GJWUCMDVOWROJW-UHFFFAOYSA-N -1 0 422.293 4.442 50 0 HIAARM O=C(Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)Nc1cccc2ncccc21 ZINC000032061104 527237922 /nfs/dbraw/zinc/23/79/22/527237922.db2.gz VVVQTHMMBOUULU-UHFFFAOYSA-N -1 0 423.519 4.278 50 0 HIAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C(=O)C(C)C ZINC000005099673 536562251 /nfs/dbraw/zinc/56/22/51/536562251.db2.gz ILYIECKYAZJBPX-UHFFFAOYSA-N -1 0 416.543 4.048 50 0 HIAARM COc1ccc(-c2csc(NC(=O)c3ccccc3OC)c2C(=O)[O-])cc1OC ZINC000000798281 557083581 /nfs/dbraw/zinc/08/35/81/557083581.db2.gz YOKKBEMXVLZBRE-UHFFFAOYSA-N -1 0 413.451 4.391 50 0 HIAARM CCc1cccc(C)c1NC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1 ZINC000001027677 557145544 /nfs/dbraw/zinc/14/55/44/557145544.db2.gz CTFXQQNKJSWVKU-UHFFFAOYSA-N -1 0 414.487 4.299 50 0 HIAARM COc1ccc([C@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000001041514 557153746 /nfs/dbraw/zinc/15/37/46/557153746.db2.gz HXLVJBPGOYRQLH-YADHBBJMSA-N -1 0 405.425 4.400 50 0 HIAARM CCOc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001110657 557183121 /nfs/dbraw/zinc/18/31/21/557183121.db2.gz GMOCPXDGDFRDOH-UHFFFAOYSA-N -1 0 410.495 4.447 50 0 HIAARM Cc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccc(Br)cc3)C2)cc1 ZINC000001217341 557246585 /nfs/dbraw/zinc/24/65/85/557246585.db2.gz CKURMXBCDCHRID-GOSISDBHSA-N -1 0 415.287 4.300 50 0 HIAARM O=C([O-])c1cccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2Cl)c1 ZINC000002955541 557430673 /nfs/dbraw/zinc/43/06/73/557430673.db2.gz YTINXMVJJVLALO-DEDYPNTBSA-N -1 0 420.852 4.448 50 0 HIAARM CC[C@@H](C)Oc1ccc(-c2nnc(CCC(=O)NCC3CCCCC3)c(=O)[n-]2)cc1 ZINC000034763693 557461188 /nfs/dbraw/zinc/46/11/88/557461188.db2.gz HVODKKBFJTZOQL-MRXNPFEDSA-N -1 0 412.534 4.051 50 0 HIAARM CC[C@@H](C)Oc1cccc(-c2nnc(CCC(=O)N[C@H](C)c3ccccc3)c(=O)[n-]2)c1 ZINC000034765006 557461941 /nfs/dbraw/zinc/46/19/41/557461941.db2.gz JELKSHYQBKIZKD-IAGOWNOFSA-N -1 0 420.513 4.232 50 0 HIAARM O=C(CCc1nnc(-c2cccc(OCC3CCC3)c2)[n-]c1=O)NCC1CCCCC1 ZINC000034765773 557462118 /nfs/dbraw/zinc/46/21/18/557462118.db2.gz OJAKLNARXYJFQL-UHFFFAOYSA-N -1 0 424.545 4.052 50 0 HIAARM CCCC[C@H](CC)COC(=O)C[C@H](C(=O)OC[C@@H](CC)CCCC)S(=O)(=O)[O-] ZINC000004097301 557513250 /nfs/dbraw/zinc/51/32/50/557513250.db2.gz HNSDLXPSAYFUHK-OKZBNKHCSA-N -1 0 422.584 4.152 50 0 endogenous,world HIAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc3oc4ccccc4c3cc2OC)c1 ZINC000004694553 557581984 /nfs/dbraw/zinc/58/19/84/557581984.db2.gz XKJDZDFCKAZRAO-UHFFFAOYSA-N -1 0 413.451 4.413 50 0 HIAARM CCOc1ccc2nc([N-]c3ncc4c(n3)C[C@H](c3ccco3)CC4=O)nc(C)c2c1 ZINC000004777116 557597113 /nfs/dbraw/zinc/59/71/13/557597113.db2.gz FRZLTHUBJGXASO-AWEZNQCLSA-N -1 0 415.453 4.376 50 0 HIAARM Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000002762714 557755838 /nfs/dbraw/zinc/75/58/38/557755838.db2.gz FJKDRXXCMIRMKS-HUUCEWRRSA-N -1 0 422.312 4.461 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000008716863 557801808 /nfs/dbraw/zinc/80/18/08/557801808.db2.gz NMTZCUPGVRAOAF-UHFFFAOYSA-N -1 0 414.914 4.379 50 0 HIAARM COc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc1COc1c(Cl)cccc1Cl ZINC000020606362 558388011 /nfs/dbraw/zinc/38/80/11/558388011.db2.gz PKAQOXLVBYJPIF-RHSMWYFYSA-N -1 0 414.310 4.369 50 0 HIAARM O=C([O-])c1ccn([C@@H]2CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)n1 ZINC000400253881 558662127 /nfs/dbraw/zinc/66/21/27/558662127.db2.gz ZMEYCSDDUDJTGN-MRXNPFEDSA-N -1 0 417.465 4.167 50 0 HIAARM Cc1nn(C)c([N-]S(=O)(=O)c2cccc(F)c2)c1-c1ccc(Br)cc1 ZINC000072273402 558699252 /nfs/dbraw/zinc/69/92/52/558699252.db2.gz GXVLNGOWEAAXBK-UHFFFAOYSA-N -1 0 424.295 4.098 50 0 HIAARM O=C(NCC1CCCCC1)C1(c2ccc([N-]S(=O)(=O)c3cccs3)cc2)CC1 ZINC000033115522 558761782 /nfs/dbraw/zinc/76/17/82/558761782.db2.gz QZEYNMXQMFBXKG-UHFFFAOYSA-N -1 0 418.584 4.277 50 0 HIAARM O=C(Nc1ccccc1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cn2)c1 ZINC000001508496 558776258 /nfs/dbraw/zinc/77/62/58/558776258.db2.gz KNHPIVKELXROBA-UHFFFAOYSA-N -1 0 422.293 4.442 50 0 HIAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(OC)c(Cc3ccccc3)c2)c1 ZINC000016729789 558802176 /nfs/dbraw/zinc/80/21/76/558802176.db2.gz NBLGQPMIJYVTNK-UHFFFAOYSA-N -1 0 413.495 4.104 50 0 HIAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCc2ccccc2)cc1 ZINC000016956339 558810148 /nfs/dbraw/zinc/81/01/48/558810148.db2.gz OFCUWVXAJMNCOZ-UHFFFAOYSA-N -1 0 420.494 4.051 50 0 HIAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCC2 ZINC000017089213 558817904 /nfs/dbraw/zinc/81/79/04/558817904.db2.gz BBRBLTWAGVHCFH-LSDHHAIUSA-N -1 0 412.511 4.319 50 0 HIAARM CCc1ccc(-c2c(C)sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])c2C(N)=O)cc1 ZINC000017089997 558818559 /nfs/dbraw/zinc/81/85/59/558818559.db2.gz FLXLNHIQZIKJDJ-CVEARBPZSA-N -1 0 414.527 4.214 50 0 HIAARM Cc1sc(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])c(C(=O)NC2CCCC2)c1C ZINC000017091523 558820077 /nfs/dbraw/zinc/82/00/77/558820077.db2.gz AFNZTKVOARLELF-GNNGFNCTSA-N -1 0 418.559 4.113 50 0 HIAARM Cc1sc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])c(C(=O)NC2CCCC2)c1C ZINC000017091513 558820085 /nfs/dbraw/zinc/82/00/85/558820085.db2.gz QXLUNPBXHJHJLW-DLBZAZTESA-N -1 0 418.559 4.423 50 0 HIAARM Cc1ccc(-c2csc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])c2C(=O)NC2CC2)cc1 ZINC000017093996 558822369 /nfs/dbraw/zinc/82/23/69/558822369.db2.gz VARVAZSUPMVEOI-IAGOWNOFSA-N -1 0 424.522 4.221 50 0 HIAARM O=C([O-])c1c[nH]c(C2(NC(=O)OCC3c4ccccc4-c4ccccc43)CCC2)n1 ZINC000070915523 558824746 /nfs/dbraw/zinc/82/47/46/558824746.db2.gz NEHZHTRJWKQNFS-UHFFFAOYSA-N -1 0 403.438 4.026 50 0 HIAARM Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCC[C@H](C)C3)cc2C(=O)[O-])cc1C ZINC000033007418 558828336 /nfs/dbraw/zinc/82/83/36/558828336.db2.gz HOPYUYIRMVKDPX-AWEZNQCLSA-N -1 0 416.543 4.347 50 0 HIAARM Cc1cccc(C(=O)Nc2ccc(N3CCN(c4ccccc4)CC3)c(C(=O)[O-])c2)c1 ZINC000033078559 558868129 /nfs/dbraw/zinc/86/81/29/558868129.db2.gz WAJGFIQWZVILAV-UHFFFAOYSA-N -1 0 415.493 4.272 50 0 HIAARM Cc1nn(-c2ccccc2)c2[nH]c3nc(=O)[n-]c(=O)c-3c(-c3ccc(C(C)C)cc3)c12 ZINC000072332776 558893277 /nfs/dbraw/zinc/89/32/77/558893277.db2.gz KOUCFQPSVQHYHM-UHFFFAOYSA-N -1 0 411.465 4.049 50 0 HIAARM Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)[O-])c2)c(C)c1 ZINC000033253427 558921468 /nfs/dbraw/zinc/92/14/68/558921468.db2.gz GPNGLXNOLJJIPS-UHFFFAOYSA-N -1 0 416.543 4.347 50 0 HIAARM CCCN(CCC)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000033253506 558921762 /nfs/dbraw/zinc/92/17/62/558921762.db2.gz HAPOADYPDAHDQX-UHFFFAOYSA-N -1 0 412.458 4.090 50 0 HIAARM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N(C)Cc2ccccc2)cc1C ZINC000033253907 558921919 /nfs/dbraw/zinc/92/19/19/558921919.db2.gz JRRKLYCCHORCFX-UHFFFAOYSA-N -1 0 424.522 4.439 50 0 HIAARM Cc1nc2sc([C@@H](c3ccc(C)cc3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000023156886 559022811 /nfs/dbraw/zinc/02/28/11/559022811.db2.gz IPEHGVJVBYOEKG-HXUWFJFHSA-N -1 0 419.554 4.025 50 0 HIAARM CCCc1cc(=O)n2[n-]c(C(F)(F)F)c(-c3ccc(Br)cc3)c2n1 ZINC000100233326 559132689 /nfs/dbraw/zinc/13/26/89/559132689.db2.gz RMFUYLTUDQJMQW-UHFFFAOYSA-N -1 0 400.198 4.423 50 0 HIAARM Cc1ccc(N(C(=O)c2cccs2)C2=C([O-])N(c3ccc(C)cc3)C(=O)C2)cc1 ZINC000100269650 559133560 /nfs/dbraw/zinc/13/35/60/559133560.db2.gz BHRIHEDMZHPGQJ-IBGZPJMESA-N -1 0 404.491 4.344 50 0 HIAARM CC(C)(C)n1c(=O)c(C(=O)Nc2ccc(Br)cc2)c([O-])c2ccccc21 ZINC000100704966 559138073 /nfs/dbraw/zinc/13/80/73/559138073.db2.gz ADGWWOCTSOMRRI-UHFFFAOYSA-N -1 0 415.287 4.477 50 0 HIAARM COc1cc(OC)c(-c2cc(C(=O)[O-])c3nc(-c4ccccc4)[nH]c3n2)cc1OC ZINC000011694701 559188347 /nfs/dbraw/zinc/18/83/47/559188347.db2.gz SCNSNDYDSOIGKW-UHFFFAOYSA-N -1 0 405.410 4.016 50 0 HIAARM O=C([O-])CNC(=O)c1c2cc(OCc3ccccc3)ccc2oc1-c1ccccc1 ZINC000011867340 559263758 /nfs/dbraw/zinc/26/37/58/559263758.db2.gz IKQJAVNXTUUQNA-UHFFFAOYSA-N -1 0 401.418 4.493 50 0 HIAARM COc1cc(C(=O)[O-])cc(I)c1OCc1ccccc1Cl ZINC000226360823 559273685 /nfs/dbraw/zinc/27/36/85/559273685.db2.gz YQIYGZUKJDEBGD-UHFFFAOYSA-N -1 0 418.614 4.230 50 0 HIAARM CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000137520116 559280307 /nfs/dbraw/zinc/28/03/07/559280307.db2.gz DMWYOYUUWMQWHL-YTFSRNRJSA-N -1 0 416.452 4.439 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)CCC2CCCC2)c1 ZINC000005602267 560629136 /nfs/dbraw/zinc/62/91/36/560629136.db2.gz POSINYRNTGCJPI-UHFFFAOYSA-N -1 0 418.515 4.111 50 0 HIAARM O=C([O-])c1cccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 ZINC000001156407 560727418 /nfs/dbraw/zinc/72/74/18/560727418.db2.gz HSMZRBJFNYWGRN-UHFFFAOYSA-N -1 0 400.843 4.425 50 0 HIAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2CC(C)C ZINC000008840883 560771095 /nfs/dbraw/zinc/77/10/95/560771095.db2.gz GVBGOJYVBJHJCT-UHFFFAOYSA-N -1 0 422.934 4.085 50 0 HIAARM Cc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3/C=C/c2ccccc2)cc1 ZINC000101298307 560791049 /nfs/dbraw/zinc/79/10/49/560791049.db2.gz ZAFZQJIVGVBUAB-ZPHJMFTNSA-N -1 0 400.438 4.092 50 0 HIAARM Cc1ccc(NCc2nn3c([n-]2)nc(C)c(Cc2ccc(Cl)cc2)c3=O)c(C)c1 ZINC000101803111 560802283 /nfs/dbraw/zinc/80/22/83/560802283.db2.gz ASKPLBVWSPRMHO-UHFFFAOYSA-N -1 0 407.905 4.199 50 0 HIAARM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3ccccc32)ccc1Br ZINC000013345462 560804806 /nfs/dbraw/zinc/80/48/06/560804806.db2.gz MQJZSQOJQHJQMP-UHFFFAOYSA-N -1 0 406.257 4.101 50 0 HIAARM CCc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccccc2Cl)cc1 ZINC000102901328 560834929 /nfs/dbraw/zinc/83/49/29/560834929.db2.gz YUGMHELSJUMWDB-LJQANCHMSA-N -1 0 422.872 4.335 50 0 HIAARM Cc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2cccc(Cl)c2)cc1 ZINC000102901174 560834950 /nfs/dbraw/zinc/83/49/50/560834950.db2.gz SPUNNOGCQVQFOE-SFHVURJKSA-N -1 0 408.845 4.081 50 0 HIAARM Cc1ccc(-n2nc3c4cc(C(=O)NC5CCCCC5)ccc4[nH]cc-3c2=O)cc1 ZINC000101281873 560851692 /nfs/dbraw/zinc/85/16/92/560851692.db2.gz HPUCYSFNEWWKAC-UHFFFAOYSA-N -1 0 400.482 4.190 50 0 HIAARM O=S(=O)([N-]c1ccc(Cl)cc1)c1c[nH]c(-c2nnc(-c3ccccc3)o2)c1 ZINC000046914069 560878991 /nfs/dbraw/zinc/87/89/91/560878991.db2.gz MWDVCJWNXPAEJQ-UHFFFAOYSA-N -1 0 400.847 4.186 50 0 HIAARM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)NCC1(c2ccccc2)CCCC1 ZINC000012101374 560889287 /nfs/dbraw/zinc/88/92/87/560889287.db2.gz KBOMRWAIFDBRHL-UHFFFAOYSA-N -1 0 407.539 4.077 50 0 HIAARM CC(=O)c1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC000003169300 560893340 /nfs/dbraw/zinc/89/33/40/560893340.db2.gz PWFPDXBPJPDRIU-UHFFFAOYSA-N -1 0 418.478 4.377 50 0 HIAARM O=C([O-])c1cccc(NC2=N[C@@H]3C=CC(Br)=C[C@@H]3C(c3ccccc3)=N2)c1 ZINC000049688565 568453275 /nfs/dbraw/zinc/45/32/75/568453275.db2.gz LHOBALDGMQFXPX-ZWKOTPCHSA-N -1 0 422.282 4.489 50 0 HIAARM CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3ccc(C(=O)[O-])cc3)c2c1 ZINC000000645448 568457155 /nfs/dbraw/zinc/45/71/55/568457155.db2.gz VBMCHIXZUZWCNQ-UHFFFAOYSA-N -1 0 408.410 4.030 50 0 HIAARM CCOc1cc(C(=O)[O-])cc(I)c1OCc1ccccc1C ZINC000216833440 568468082 /nfs/dbraw/zinc/46/80/82/568468082.db2.gz HMLJGIGOAYXAQD-UHFFFAOYSA-N -1 0 412.223 4.276 50 0 HIAARM Cc1cc2oc(-c3ccc4c(c3)C[C@H](C)O4)c(-c3c([O-])cc(C)oc3=O)c2c(=O)o1 ZINC000604405572 568492568 /nfs/dbraw/zinc/49/25/68/568492568.db2.gz QUTXPWHWAQUPNO-JTQLQIEISA-N -1 0 406.390 4.319 50 0 HIAARM O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1cccnc1 ZINC000000821813 568498459 /nfs/dbraw/zinc/49/84/59/568498459.db2.gz FYYJXHCSOYGMIC-UHFFFAOYSA-N -1 0 422.293 4.442 50 0 HIAARM O=C([O-])CC1(CC(=O)Nc2cccc(I)c2)CCCCC1 ZINC000024150898 568510977 /nfs/dbraw/zinc/51/09/77/568510977.db2.gz SFZVUOZUCOEHHJ-UHFFFAOYSA-N -1 0 401.244 4.045 50 0 HIAARM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000095393790 568604373 /nfs/dbraw/zinc/60/43/73/568604373.db2.gz IXVLGFPZNHQULT-UHFFFAOYSA-N -1 0 403.369 4.065 50 0 HIAARM O=C([O-])COc1ccc(NC(=O)c2cccc(OCc3cscn3)c2)cc1Cl ZINC000095464071 568622301 /nfs/dbraw/zinc/62/23/01/568622301.db2.gz PWTIMHRONJOMRZ-UHFFFAOYSA-N -1 0 418.858 4.091 50 0 HIAARM COc1ccc([C@@H]2Sc3[nH]c(=O)sc3[C@H](c3ccc(C)cc3)[C@H]2C(=O)[O-])cc1 ZINC000096318990 568727484 /nfs/dbraw/zinc/72/74/84/568727484.db2.gz QGQUDATWLSETLA-ZACQAIPSSA-N -1 0 413.520 4.433 50 0 HIAARM Cc1c2ccc(OCc3ccc(Br)cc3)cc2oc(=O)c1CCC(=O)[O-] ZINC000001118917 568771116 /nfs/dbraw/zinc/77/11/16/568771116.db2.gz LARYHOKDPQBFPB-UHFFFAOYSA-N -1 0 417.255 4.460 50 0 biogenic HIAARM O=c1oc2c(cc([N-]S(=O)(=O)c3cccc4cccnc43)c3ccccc23)s1 ZINC000002500516 568776905 /nfs/dbraw/zinc/77/69/05/568776905.db2.gz NNHTUHBBRDATDY-UHFFFAOYSA-N -1 0 408.460 4.357 50 0 HIAARM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000002562114 568783889 /nfs/dbraw/zinc/78/38/89/568783889.db2.gz KFLCZDSXISGZQI-RYUDHWBXSA-N -1 0 400.740 4.205 50 0 HIAARM Cc1ccnn1Cc1nnc([N-]c2ccn(Cc3c(Cl)cccc3Cl)n2)s1 ZINC000002731466 568804924 /nfs/dbraw/zinc/80/49/24/568804924.db2.gz OJFSFUSLFVKKOV-UHFFFAOYSA-N -1 0 420.329 4.387 50 0 HIAARM O=S(=O)([N-]c1ncn(Cc2c(Cl)cccc2Cl)n1)c1ccc(Cl)cc1 ZINC000002775091 568807998 /nfs/dbraw/zinc/80/79/98/568807998.db2.gz YBMHLFOESNGYFZ-UHFFFAOYSA-N -1 0 417.705 4.087 50 0 HIAARM O=C(COc1ccccc1Cl)Nc1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000031648507 568837327 /nfs/dbraw/zinc/83/73/27/568837327.db2.gz HMRSJQPROVTDBN-UHFFFAOYSA-N -1 0 422.915 4.220 50 0 HIAARM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000012507942 568839877 /nfs/dbraw/zinc/83/98/77/568839877.db2.gz YWYMDTAEFALEGQ-INIZCTEOSA-N -1 0 422.506 4.181 50 0 HIAARM Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2cc(Br)ccc2C)n1 ZINC000012544904 568850063 /nfs/dbraw/zinc/85/00/63/568850063.db2.gz QNWUGBIRPAMWBM-UHFFFAOYSA-N -1 0 420.332 4.361 50 0 HIAARM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000012557049 568856237 /nfs/dbraw/zinc/85/62/37/568856237.db2.gz XEWBDWBLWFUWEO-UHFFFAOYSA-N -1 0 407.797 4.255 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2c[nH]c3ccccc23)c1 ZINC000012599071 568869550 /nfs/dbraw/zinc/86/95/50/568869550.db2.gz SDIYKMITLCVGAI-UHFFFAOYSA-N -1 0 421.478 4.230 50 0 HIAARM O=S(=O)([N-]c1nc2ccccc2nc1N1CCCC1)c1c(Cl)cccc1Cl ZINC000012604710 568870804 /nfs/dbraw/zinc/87/08/04/568870804.db2.gz ZWBLMFYVZGMTRP-UHFFFAOYSA-N -1 0 423.325 4.338 50 0 HIAARM COc1ccc([C@@H]2CC(=O)Oc3ccc(C(=O)c4ccc(Cl)cc4)c([O-])c32)cc1O ZINC000263586939 568881421 /nfs/dbraw/zinc/88/14/21/568881421.db2.gz ZXDKPPBUFGAJHW-INIZCTEOSA-N -1 0 424.836 4.432 50 0 HIAARM Cc1cc(C)c2nc(SCc3nc4cc(C(=O)[O-])ccc4c(=O)[nH]3)cc(C)c2c1 ZINC000003342498 568884010 /nfs/dbraw/zinc/88/40/10/568884010.db2.gz QIAXVJFHJNPISR-UHFFFAOYSA-N -1 0 405.479 4.387 50 0 HIAARM O=C(NC1CCCCC1)c1ccc2c(c1)[n-]c(=S)n(CCc1ccccc1)c2=O ZINC000003630094 568920925 /nfs/dbraw/zinc/92/09/25/568920925.db2.gz IAZSQRXKQCISEV-UHFFFAOYSA-N -1 0 407.539 4.364 50 0 HIAARM Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000012733863 568923932 /nfs/dbraw/zinc/92/39/32/568923932.db2.gz KUOSVOJQUALDHI-UHFFFAOYSA-N -1 0 411.405 4.189 50 0 HIAARM Cc1onc(-c2ccccc2)c1C(=O)N[C@H](CC(=O)[O-])c1ccc(OC(C)C)cc1 ZINC000003958699 568930482 /nfs/dbraw/zinc/93/04/82/568930482.db2.gz VOEPGIKGVNVMFV-LJQANCHMSA-N -1 0 408.454 4.383 50 0 HIAARM COC(=O)c1c(=O)c2cc(Cl)ccc2[n-]c1SCC(=O)Nc1ccccc1F ZINC000015731461 568981855 /nfs/dbraw/zinc/98/18/55/568981855.db2.gz SIMDDXLUYXLTNT-UHFFFAOYSA-N -1 0 420.849 4.250 50 0 HIAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)Nc1cc(Cl)ccc1C)CC2 ZINC000015781981 569002854 /nfs/dbraw/zinc/00/28/54/569002854.db2.gz CVAMJDMJNHWPRU-KRWDZBQOSA-N -1 0 418.877 4.272 50 0 HIAARM O=C([O-])C[C@H]1c2ccccc2CCN1C(=O)Nc1ccc(Br)cc1F ZINC000015782071 569002855 /nfs/dbraw/zinc/00/28/55/569002855.db2.gz BZPGXQVEMNGJEH-INIZCTEOSA-N -1 0 407.239 4.194 50 0 HIAARM CC(=O)c1cccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(Cl)cc3)c2C)c1 ZINC000085642464 569005212 /nfs/dbraw/zinc/00/52/12/569005212.db2.gz FUCNMNOSMCYBHN-UHFFFAOYSA-N -1 0 403.891 4.146 50 0 HIAARM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3ccco3)CC(=O)O4)c2=O)cc1 ZINC000085876106 569009501 /nfs/dbraw/zinc/00/95/01/569009501.db2.gz AZNSTOXYKIDNRM-AWEZNQCLSA-N -1 0 404.374 4.208 50 0 HIAARM O=c1cc(CSc2ccccn2)nc2[n-]c(SCc3ccc(Cl)cc3)nn21 ZINC000100071811 569017480 /nfs/dbraw/zinc/01/74/80/569017480.db2.gz YJGZCHDOXVLCIR-UHFFFAOYSA-N -1 0 415.931 4.051 50 0 HIAARM C[C@@H](Cc1cccs1)N(Cc1ccccc1)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000012916211 569022559 /nfs/dbraw/zinc/02/25/59/569022559.db2.gz IYTRLQMUKKKNMY-AWEZNQCLSA-N -1 0 421.565 4.330 50 0 HIAARM CC(C)(C)c1ccc(NC(=O)CSc2nc(=O)cc([O-])n2C2CCCC2)cc1 ZINC000012922569 569023322 /nfs/dbraw/zinc/02/33/22/569023322.db2.gz GLUNKERXRORSIG-UHFFFAOYSA-N -1 0 401.532 4.092 50 0 HIAARM Cc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@H]2c1ccccc1Cl ZINC000101835947 569024609 /nfs/dbraw/zinc/02/46/09/569024609.db2.gz LTAYBSWXQGLBJU-SFHVURJKSA-N -1 0 408.845 4.081 50 0 HIAARM CC[C@H](C)[C@H](NC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000016043069 569028263 /nfs/dbraw/zinc/02/82/63/569028263.db2.gz XRGJSCAGGOPVAT-WLRWDXFRSA-N -1 0 413.470 4.013 50 0 HIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1c(F)cc(F)cc1Br ZINC000016101422 569028906 /nfs/dbraw/zinc/02/89/06/569028906.db2.gz UZEBBIWVHBAOFW-UHFFFAOYSA-N -1 0 412.639 4.190 50 0 HIAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@H]2c1ccc2c(c1)OCO2 ZINC000064797652 569096594 /nfs/dbraw/zinc/09/65/94/569096594.db2.gz RCDSQCJOWQANNG-ZDUSSCGKSA-N -1 0 411.410 4.455 50 0 HIAARM CCCCN(C)c1ncc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1C(=O)[O-] ZINC000064843227 569107119 /nfs/dbraw/zinc/10/71/19/569107119.db2.gz GAHCPDQTFYZNAC-UHFFFAOYSA-N -1 0 419.547 4.114 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2onc(C)c2C)cc1OC ZINC000064845669 569108034 /nfs/dbraw/zinc/10/80/34/569108034.db2.gz XWLFGPCRBUACLR-UHFFFAOYSA-N -1 0 422.528 4.455 50 0 HIAARM CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCC4)o3)s2)cc1 ZINC000064920476 569121149 /nfs/dbraw/zinc/12/11/49/569121149.db2.gz JRSZWLOUMWCGIV-UHFFFAOYSA-N -1 0 405.501 4.265 50 0 HIAARM CCc1cc2c(cc1OCC(=O)[O-])occ(-c1nnc(-c3ccccc3)s1)c2=O ZINC000006787807 569122149 /nfs/dbraw/zinc/12/21/49/569122149.db2.gz GRQYLUFZURKESC-UHFFFAOYSA-N -1 0 408.435 4.004 50 0 HIAARM COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1ccc(-c2ccno2)cc1 ZINC000006887692 569171205 /nfs/dbraw/zinc/17/12/05/569171205.db2.gz AIIHBDACQPFNAQ-UHFFFAOYSA-N -1 0 411.439 4.114 50 0 HIAARM COc1ccc(NC(=O)c2c(=O)[nH]c3sc4c(c3c2[O-])CC[C@H](C)C4)cc1Cl ZINC000065150419 569184856 /nfs/dbraw/zinc/18/48/56/569184856.db2.gz FDCZGOJZTUZIRK-VIFPVBQESA-N -1 0 418.902 4.334 50 0 HIAARM Cc1ccc2[nH]cc(CCn3c(C)c4c(cc3=O)[n-]n(-c3ccc(F)cc3)c4=O)c2c1 ZINC000036569660 569200924 /nfs/dbraw/zinc/20/09/24/569200924.db2.gz WULULKWOYRQOMJ-UHFFFAOYSA-N -1 0 416.456 4.324 50 0 HIAARM Cc1cccc(-n2c3nc(-c4ccccc4)cc(C(=O)[O-])c3c(=O)[nH]c2=S)c1C ZINC000036617240 569208074 /nfs/dbraw/zinc/20/80/74/569208074.db2.gz HOYYJLWTWODFBS-UHFFFAOYSA-N -1 0 403.463 4.425 50 0 HIAARM Cc1ccc(-n2ncc3c2[nH]c(=O)c(-c2nc(-c4cccc(Cl)c4)no2)c3[O-])cc1 ZINC000065256959 569208513 /nfs/dbraw/zinc/20/85/13/569208513.db2.gz RNHGYGBOJXFFSZ-UHFFFAOYSA-N -1 0 419.828 4.098 50 0 HIAARM Cc1cc2occ(CC(=O)N[C@H](Cc3c[nH]c4cc(F)ccc34)C(=O)[O-])c2cc1C ZINC000170592146 569240913 /nfs/dbraw/zinc/24/09/13/569240913.db2.gz BVRFQJXFCPZFCH-HXUWFJFHSA-N -1 0 408.429 4.025 50 0 HIAARM O=S(=O)([N-]c1cc2ccc(Br)cn2n1)c1cccc2ccccc21 ZINC000170617373 569248028 /nfs/dbraw/zinc/24/80/28/569248028.db2.gz NZFRRGWDNFUUJU-UHFFFAOYSA-N -1 0 402.273 4.051 50 0 HIAARM CC(=O)Oc1ccc([C@@H]2Nc3c(C(=O)[O-])cccc3[C@H]3C=CC[C@@H]32)c(OC(C)=O)c1 ZINC000005726382 569255897 /nfs/dbraw/zinc/25/58/97/569255897.db2.gz VSQAFEYWXIWCNY-CKJXQJPGSA-N -1 0 407.422 4.062 50 0 HIAARM Cc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3cccc(Br)c3)C2)cc1 ZINC000089632059 569261504 /nfs/dbraw/zinc/26/15/04/569261504.db2.gz IBSBFPXPGRDKIQ-GOSISDBHSA-N -1 0 415.287 4.300 50 0 HIAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC000016728985 569261834 /nfs/dbraw/zinc/26/18/34/569261834.db2.gz OOOYZKHDERKLKG-UHFFFAOYSA-N -1 0 408.426 4.284 50 0 HIAARM Cc1ccnc(-n2cc(S(=O)(=O)[N-]c3ccc(OCC(C)C)c(Cl)c3)cn2)c1 ZINC000089701865 569262605 /nfs/dbraw/zinc/26/26/05/569262605.db2.gz BBANRYIQYZSRLW-UHFFFAOYSA-N -1 0 420.922 4.065 50 0 HIAARM O=C(NCc1ccco1)c1ccc2c(c1)[n-]c(=S)n(CCC1=CCCCC1)c2=O ZINC000001148699 569277441 /nfs/dbraw/zinc/27/74/41/569277441.db2.gz VYYLPVNVFVLGJY-UHFFFAOYSA-N -1 0 409.511 4.099 50 0 HIAARM O=C([O-])c1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc2n1 ZINC000252495658 569290852 /nfs/dbraw/zinc/29/08/52/569290852.db2.gz OVDNTDRFOBUMMT-UHFFFAOYSA-N -1 0 401.388 4.278 50 0 HIAARM Cc1ccc(C(=O)[C@@H](c2ccc(C)cc2)n2nc(C(=O)[O-])c3ccccc3c2=O)cc1 ZINC000007784007 569310191 /nfs/dbraw/zinc/31/01/91/569310191.db2.gz VTJXJUCTMMPHSG-JOCHJYFZSA-N -1 0 412.445 4.184 50 0 HIAARM COC(=O)c1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(Cl)c4)c32)cc1 ZINC000066091435 569314534 /nfs/dbraw/zinc/31/45/34/569314534.db2.gz GRVJHEPPHFPBDN-INIZCTEOSA-N -1 0 424.840 4.090 50 0 HIAARM CCC(=O)NC([N-]c1sc(C)c(CC)c1C(=O)OC)(C(F)(F)F)C(F)(F)F ZINC000002303408 569372308 /nfs/dbraw/zinc/37/23/08/569372308.db2.gz NKAITGVVFLFMHF-UHFFFAOYSA-N -1 0 420.375 4.165 50 0 HIAARM Cn1c(=O)c(C(=O)N[C@@H]2CCCc3c4cccc(Cl)c4[nH]c32)c([O-])c2ccccc21 ZINC000253401306 569388910 /nfs/dbraw/zinc/38/89/10/569388910.db2.gz FNDSLZAJRCICOG-MRXNPFEDSA-N -1 0 421.884 4.186 50 0 HIAARM O=C([O-])[C@@H](Cc1ccccc1Cl)S[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000008768218 571116013 /nfs/dbraw/zinc/11/60/13/571116013.db2.gz RTEUITFUJNGHCD-JKSUJKDBSA-N -1 0 424.305 4.054 50 0 HIAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)Nc1cc(C)ccc1O2 ZINC000008961295 571189726 /nfs/dbraw/zinc/18/97/26/571189726.db2.gz SDZPTVWHGDQGNZ-UHFFFAOYSA-N -1 0 424.478 4.471 50 0 HIAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)c1C ZINC000009282873 571244696 /nfs/dbraw/zinc/24/46/96/571244696.db2.gz LXVYJZVMNSHVBY-UHFFFAOYSA-N -1 0 422.413 4.014 50 0 HIAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc2nc(C)sc2c1 ZINC000009467977 571261319 /nfs/dbraw/zinc/26/13/19/571261319.db2.gz KLJSJERJPAJVON-UHFFFAOYSA-N -1 0 413.318 4.177 50 0 HIAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)s2)on1 ZINC000009688876 571280258 /nfs/dbraw/zinc/28/02/58/571280258.db2.gz FIJIWDLTGJQKRD-UHFFFAOYSA-N -1 0 420.512 4.306 50 0 HIAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(C)cc2)cc1 ZINC000009753102 571284267 /nfs/dbraw/zinc/28/42/67/571284267.db2.gz OTPWGXCHYQWSHI-UHFFFAOYSA-N -1 0 423.494 4.007 50 0 HIAARM O=C(C[C@@H]([N-]C(=O)C(F)(F)F)c1ccccc1)Nc1ccc(Br)cc1 ZINC000002462079 845006766 /nfs/dbraw/zinc/00/67/66/845006766.db2.gz MOIBCHQOTNEFFC-CQSZACIVSA-N -1 0 415.209 4.198 50 0 HIAARM O=C1/C(=C/c2cc(Br)cc(Br)c2[O-])N=C2CCCCCN12 ZINC000003212148 845009926 /nfs/dbraw/zinc/00/99/26/845009926.db2.gz JSVDWSNABIGDOQ-GHXNOFRVSA-N -1 0 414.097 4.073 50 0 HIAARM CCCCOc1cc(/C=C2\CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)ccc1OC ZINC000014085376 845924298 /nfs/dbraw/zinc/92/42/98/845924298.db2.gz BECJJMVKHCCWBF-FOWTUZBSSA-N -1 0 420.465 4.227 50 0 HIAARM O=C(NN=Cc1c2c(cc([N+](=O)[O-])c1[O-])oc1c2CCCC1)c1ccccc1Cl ZINC000263622188 854280565 /nfs/dbraw/zinc/28/05/65/854280565.db2.gz NMTSKTJVXLTJHV-UHFFFAOYSA-N -1 0 413.817 4.343 50 0 HIAARM CCC(Nc1cccc(C(F)(F)F)c1)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000009089637 132335665 /nfs/dbraw/zinc/33/56/65/132335665.db2.gz WTYWYZBHJCPDOI-FOCLMDBBSA-N -1 0 403.360 4.064 50 0 HIAARM O=C1N(Cc2ccccc2)CCCN1c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000034737596 132798069 /nfs/dbraw/zinc/79/80/69/132798069.db2.gz PIUFZYQDULIANR-UHFFFAOYSA-N -1 0 421.522 4.320 50 0 HIAARM COc1ccc(OC(=O)[C@@H](C(=O)[O-])c2ccc(Oc3ccc(OC)cc3)cc2)cc1 ZINC000021982876 524783173 /nfs/dbraw/zinc/78/31/73/524783173.db2.gz MBSQAPDFHUYSPC-OAQYLSRUSA-N -1 0 408.406 4.270 50 0 HIAARM Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(N2CCCCCCC2)c(C(=O)[O-])c1 ZINC000032962191 524873109 /nfs/dbraw/zinc/87/31/09/524873109.db2.gz QBAKZBSKCIWZAQ-UHFFFAOYSA-N -1 0 420.506 4.404 50 0 HIAARM Cc1c(-c2ccc(Cl)cc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000032090662 525505551 /nfs/dbraw/zinc/50/55/51/525505551.db2.gz NQNUVZQEXCAJJK-INIZCTEOSA-N -1 0 424.844 4.382 50 0 HIAARM Cc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(c4nsc5ccccc54)CC3)c2c1 ZINC000032091582 526114376 /nfs/dbraw/zinc/11/43/76/526114376.db2.gz DCEOBMACNBWRDI-HXUWFJFHSA-N -1 0 406.511 4.034 50 0 HIAARM O=C([O-])[C@H](NC(=O)Cn1ccc2ccc(OCc3ccccc3)cc21)c1ccccc1 ZINC000040282999 526308801 /nfs/dbraw/zinc/30/88/01/526308801.db2.gz SGWIYVIZHCBODK-XMMPIXPASA-N -1 0 414.461 4.162 50 0 HIAARM O=C([O-])c1ccccc1NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc(Cl)cc1F ZINC000040288187 526396796 /nfs/dbraw/zinc/39/67/96/526396796.db2.gz GOFZMFLIECIFBA-SFHVURJKSA-N -1 0 414.824 4.080 50 0 HIAARM O=S(=O)([N-]c1cccc2c[nH]nc21)c1c(Cl)cc(Br)cc1Cl ZINC000032909189 527253529 /nfs/dbraw/zinc/25/35/29/527253529.db2.gz NYEFYJWQAZCCPJ-UHFFFAOYSA-N -1 0 421.103 4.433 50 0 HIAARM Cn1ccnc1Sc1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1 ZINC000032870645 527451383 /nfs/dbraw/zinc/45/13/83/527451383.db2.gz QKMYSDAEGDFMOM-UHFFFAOYSA-N -1 0 424.345 4.135 50 0 HIAARM O=C([O-])[C@@H](Cc1ccc(F)c(F)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000000622072 557019388 /nfs/dbraw/zinc/01/93/88/557019388.db2.gz IHSYIDJNVXPQRM-JOCHJYFZSA-N -1 0 423.415 4.499 50 0 HIAARM O=C1[N-]C(=O)/C(=C\c2c(OCc3ccc(Br)cc3)ccc3ccccc32)N1 ZINC000000658612 557042264 /nfs/dbraw/zinc/04/22/64/557042264.db2.gz NINGXNRTQIKMBW-WOJGMQOQSA-N -1 0 423.266 4.362 50 0 HIAARM Cc1nc2sc([C@H](c3cccc(C)c3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000022626877 557107912 /nfs/dbraw/zinc/10/79/12/557107912.db2.gz LNMVDRXATFWHLD-FQEVSTJZSA-N -1 0 419.554 4.025 50 0 HIAARM Cc1nc2sc([C@H](c3ccc(F)c(F)c3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000022627450 557113136 /nfs/dbraw/zinc/11/31/36/557113136.db2.gz YOMKSEHCPBOFOE-SFHVURJKSA-N -1 0 412.465 4.231 50 0 HIAARM COc1ccc([C@H]2[C@@H](C(=O)[O-])c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000001041512 557153699 /nfs/dbraw/zinc/15/36/99/557153699.db2.gz HXLVJBPGOYRQLH-VXKWHMMOSA-N -1 0 405.425 4.400 50 0 HIAARM COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000001160013 557217600 /nfs/dbraw/zinc/21/76/00/557217600.db2.gz PTFQHLBXPWKOCW-UHFFFAOYSA-N -1 0 420.490 4.039 50 0 HIAARM CCCC[C@H](CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1 ZINC000002069646 557306891 /nfs/dbraw/zinc/30/68/91/557306891.db2.gz OXNITNRPCVMUNU-INIZCTEOSA-N -1 0 404.536 4.049 50 0 HIAARM CCCCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000002415581 557345753 /nfs/dbraw/zinc/34/57/53/557345753.db2.gz DSRRQBRQKCDZCL-UHFFFAOYSA-N -1 0 400.504 4.041 50 0 HIAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(C)cc2)cc1 ZINC000002425751 557346623 /nfs/dbraw/zinc/34/66/23/557346623.db2.gz AIQDWTYFPDABNX-UHFFFAOYSA-N -1 0 420.494 4.491 50 0 HIAARM COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)sc2C(C)=O)cc1OC ZINC000004297045 557537048 /nfs/dbraw/zinc/53/70/48/557537048.db2.gz OWSAHOLAGRQOHM-UHFFFAOYSA-N -1 0 417.508 4.436 50 0 HIAARM CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1-c1ccccc1Cl ZINC000004682011 557580799 /nfs/dbraw/zinc/58/07/99/557580799.db2.gz WGFNUZVNYYQANT-UHFFFAOYSA-N -1 0 416.890 4.047 50 0 HIAARM O=C(NCc1ccccc1Cl)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000004757005 557594139 /nfs/dbraw/zinc/59/41/39/557594139.db2.gz JUCRSBTXBIBNPE-UHFFFAOYSA-N -1 0 400.887 4.071 50 0 HIAARM O=C([O-])c1ccc(C(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)cc1 ZINC000005065604 557633630 /nfs/dbraw/zinc/63/36/30/557633630.db2.gz HDILHAAOMMJKTE-UHFFFAOYSA-N -1 0 409.825 4.287 50 0 HIAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)Nc1cccc(Cl)c1 ZINC000005598912 557664626 /nfs/dbraw/zinc/66/46/26/557664626.db2.gz DVZUOCDOZQSMGJ-UHFFFAOYSA-N -1 0 402.863 4.180 50 0 HIAARM Cc1nn(Cc2cccc3ccccc32)c(C)c1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000002764805 557756600 /nfs/dbraw/zinc/75/66/00/557756600.db2.gz GFPUPPMPKXZCLD-SFTDATJTSA-N -1 0 403.482 4.307 50 0 HIAARM CCCSc1nnc2c(n1)O[C@H](c1ccc(OCC(=O)[O-])cc1)Nc1ccccc1-2 ZINC000008583948 557795815 /nfs/dbraw/zinc/79/58/15/557795815.db2.gz VRROYWXDROBNNL-LJQANCHMSA-N -1 0 424.482 4.007 50 0 HIAARM CCc1nc2sc([C@H](c3cccc(Br)c3)N3CCCC3)c([O-])n2n1 ZINC000022852942 557839954 /nfs/dbraw/zinc/83/99/54/557839954.db2.gz XQLCKVXRCUBHJI-AWEZNQCLSA-N -1 0 407.337 4.007 50 0 HIAARM O=C([N-]N1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)SC1=S)c1cccs1 ZINC000001412517 558429584 /nfs/dbraw/zinc/42/95/84/558429584.db2.gz QCCXPPIKZICZKQ-WQLSENKSSA-N -1 0 414.455 4.313 50 0 HIAARM CCCCOc1c(Cl)cc(C(=O)NCc2ccc(OC)c(C(=O)[O-])c2)cc1OC ZINC000013392693 558531247 /nfs/dbraw/zinc/53/12/47/558531247.db2.gz LPVKEAFSKTZWMX-UHFFFAOYSA-N -1 0 421.877 4.164 50 0 HIAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)Nc1nc2ccccc2s1 ZINC000013551643 558539176 /nfs/dbraw/zinc/53/91/76/558539176.db2.gz NGVAPIVOUPSJRV-UHFFFAOYSA-N -1 0 400.843 4.251 50 0 HIAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(C3SCCCS3)cc2)c1 ZINC000024153245 558590863 /nfs/dbraw/zinc/59/08/63/558590863.db2.gz OIULPTLOWIQOQS-UHFFFAOYSA-N -1 0 423.581 4.307 50 0 HIAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1 ZINC000024371256 558596390 /nfs/dbraw/zinc/59/63/90/558596390.db2.gz WAGYEAQOMCNHGO-UHFFFAOYSA-N -1 0 405.394 4.183 50 0 HIAARM CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)NC(=O)N1CCCCCC(=O)[O-] ZINC000014246090 558647012 /nfs/dbraw/zinc/64/70/12/558647012.db2.gz FQYNDQQGLZJZIX-QFIPXVFZSA-N -1 0 421.497 4.311 50 0 HIAARM Cc1cc(S(=O)(=O)N(Cc2ccccc2F)c2ccccc2F)sc1C(=O)[O-] ZINC000072269950 558673072 /nfs/dbraw/zinc/67/30/72/558673072.db2.gz LPOWTVUVSSRRRG-UHFFFAOYSA-N -1 0 423.462 4.428 50 0 HIAARM O=C([O-])c1cccc(NC(=S)NC(=O)c2cccc(COc3ccccc3)c2)c1 ZINC000004550889 558682393 /nfs/dbraw/zinc/68/23/93/558682393.db2.gz FGYGZHIWHQHLSW-UHFFFAOYSA-N -1 0 406.463 4.091 50 0 HIAARM O=C([N-][C@@]1(C(F)(F)F)c2cccc3c2N(C1=O)c1ccccc1S3)C(F)(F)F ZINC000003103059 558749856 /nfs/dbraw/zinc/74/98/56/558749856.db2.gz FKRFVPTXTDXRNE-HNNXBMFYSA-N -1 0 418.318 4.266 50 0 HIAARM O=C([O-])[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)Cc1ccccc1 ZINC000033414777 558768522 /nfs/dbraw/zinc/76/85/22/558768522.db2.gz NZMKXKRMTSBQFS-SFHVURJKSA-N -1 0 401.462 4.469 50 0 HIAARM COc1ccc([C@@H]2Sc3[nH]c(=O)sc3[C@@H](c3ccc(C)cc3)[C@@H]2C(=O)[O-])cc1 ZINC000109794999 558782710 /nfs/dbraw/zinc/78/27/10/558782710.db2.gz QGQUDATWLSETLA-ULQDDVLXSA-N -1 0 413.520 4.433 50 0 HIAARM Cc1cc2c(nc3s/c(=C\c4ccc(-c5ccccc5C(=O)[O-])o4)c(=O)n32)c(C)c1 ZINC000016676045 558798813 /nfs/dbraw/zinc/79/88/13/558798813.db2.gz JFRYLPFKWKOMBZ-ODLFYWEKSA-N -1 0 416.458 4.032 50 0 HIAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(C)C)c(C)cc2OCC)cc1 ZINC000016780632 558806902 /nfs/dbraw/zinc/80/69/02/558806902.db2.gz KKKUYAZMXMISSH-UHFFFAOYSA-N -1 0 405.516 4.495 50 0 HIAARM O=C([O-])[C@@H](Cc1ccc(O)c(F)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000038528889 558812136 /nfs/dbraw/zinc/81/21/36/558812136.db2.gz VNQUEERXNCSBHF-OAQYLSRUSA-N -1 0 421.424 4.066 50 0 HIAARM CC[C@H]1CCc2c(sc(NC(=O)C[C@H](C)CC(=O)[O-])c2C(=O)NC2CCCC2)C1 ZINC000017092411 558820840 /nfs/dbraw/zinc/82/08/40/558820840.db2.gz CRBROQWWBFUEQM-KBPBESRZSA-N -1 0 420.575 4.375 50 0 HIAARM Cc1ccc(NC(=O)c2c3c(sc2NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])CCC3)cc1 ZINC000017093990 558822334 /nfs/dbraw/zinc/82/23/34/558822334.db2.gz ADBCIAIEDYZEHA-HOTGVXAUSA-N -1 0 424.522 4.403 50 0 HIAARM O=C([O-])[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)c2ccccc2O1 ZINC000070915440 558824680 /nfs/dbraw/zinc/82/46/80/558824680.db2.gz FILOMFPVLURQOC-JOCHJYFZSA-N -1 0 401.418 4.288 50 0 HIAARM CC1CCN(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)c(C(=O)[O-])c2)CC1 ZINC000033007187 558827895 /nfs/dbraw/zinc/82/78/95/558827895.db2.gz GMECFWWVEPDVLN-UHFFFAOYSA-N -1 0 408.907 4.075 50 0 HIAARM O=C([O-])c1cc(NC(=O)c2ccc(F)cc2)ccc1N1CCN(c2ccccc2)CC1 ZINC000033078556 558868086 /nfs/dbraw/zinc/86/80/86/558868086.db2.gz HXPJDVPRQGKORL-UHFFFAOYSA-N -1 0 419.456 4.103 50 0 HIAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3nc(C)cs3)cs2)cc1 ZINC000033170935 558903983 /nfs/dbraw/zinc/90/39/83/558903983.db2.gz DAAUKPPGLYMVPX-UHFFFAOYSA-N -1 0 408.526 4.158 50 0 HIAARM O=C([O-])CCC(=O)N1N=C(c2ccsc2)C[C@H]1c1ccc(Br)cc1 ZINC000058161131 558905504 /nfs/dbraw/zinc/90/55/04/558905504.db2.gz SEXSOAOCHZTRLE-HNNXBMFYSA-N -1 0 407.289 4.053 50 0 HIAARM CCCCN(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1C(=O)[O-] ZINC000033253360 558921438 /nfs/dbraw/zinc/92/14/38/558921438.db2.gz CPZRHJZBYCZIEO-UHFFFAOYSA-N -1 0 416.543 4.301 50 0 HIAARM Cc1ccc(S(=O)(=O)Nc2ccc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)cc1 ZINC000033253458 558921502 /nfs/dbraw/zinc/92/15/02/558921502.db2.gz PFNQMFCZFVCIBH-UHFFFAOYSA-N -1 0 410.495 4.130 50 0 HIAARM CCCN(CCC)c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1C(=O)[O-] ZINC000033253503 558921670 /nfs/dbraw/zinc/92/16/70/558921670.db2.gz YNNJCEAJIBLFSZ-UHFFFAOYSA-N -1 0 410.923 4.465 50 0 HIAARM CN(C)c1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1C(=O)[O-] ZINC000033253665 558922026 /nfs/dbraw/zinc/92/20/26/558922026.db2.gz QVNGSRPWXQSMLX-UHFFFAOYSA-N -1 0 402.516 4.299 50 0 HIAARM Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC[C@@H](C)C2)c(C)c1 ZINC000033253946 558922276 /nfs/dbraw/zinc/92/22/76/558922276.db2.gz YVIBKUWSRBFBEO-CQSZACIVSA-N -1 0 416.543 4.347 50 0 HIAARM Cc1ccc(-c2cc(C[C@]3(C(=O)[O-])CCCN(C(=O)OC(C)(C)C)C3)on2)cc1 ZINC000077010649 558999143 /nfs/dbraw/zinc/99/91/43/558999143.db2.gz HBPHYZBPXVEWQM-JOCHJYFZSA-N -1 0 400.475 4.294 50 0 HIAARM CCOc1ccc(-c2ccnc(NCc3cnc4ccccc4c3)n2)cc1C(=O)[O-] ZINC000077538285 559008696 /nfs/dbraw/zinc/00/86/96/559008696.db2.gz OKMBICRAYZUXRP-UHFFFAOYSA-N -1 0 400.438 4.401 50 0 HIAARM Cc1ccc(S(=O)(=O)C2=C([O-])C(=O)N(c3ccc(F)cc3)[C@H]2c2ccccc2)cc1 ZINC000023119182 559013558 /nfs/dbraw/zinc/01/35/58/559013558.db2.gz LCWYTBASGRMNIG-FQEVSTJZSA-N -1 0 423.465 4.466 50 0 HIAARM Cc1ccc(S(=O)(=O)C2=C([O-])C(=O)N(c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000023119087 559013587 /nfs/dbraw/zinc/01/35/87/559013587.db2.gz YGVMPZUPCQYTOZ-HXUWFJFHSA-N -1 0 423.465 4.466 50 0 HIAARM Cc1nc2sc([C@H](c3ccco3)N3CCC(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000023158080 559022602 /nfs/dbraw/zinc/02/26/02/559022602.db2.gz LVIBLPBSOHGPIX-IBGZPJMESA-N -1 0 408.527 4.442 50 0 HIAARM O=C([O-])[C@H]1C[C@@H]2CC(=O)CC[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095743458 559088455 /nfs/dbraw/zinc/08/84/55/559088455.db2.gz AYHUVPFAIXSTEV-VBURHUQHSA-N -1 0 419.477 4.080 50 0 HIAARM O=C(Nc1nc(-c2ccccc2)cs1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100662867 559137602 /nfs/dbraw/zinc/13/76/02/559137602.db2.gz YNPKZPAPXSIUKN-UHFFFAOYSA-N -1 0 403.463 4.029 50 0 HIAARM COc1ccc2c(c1)[nH]cc2-c1csc(NC(=O)Cc2ccccc2C(=O)[O-])n1 ZINC000072400842 559189154 /nfs/dbraw/zinc/18/91/54/559189154.db2.gz VVRGRAZMUUSVGD-UHFFFAOYSA-N -1 0 407.451 4.179 50 0 HIAARM O=C([O-])CCC(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1Cl ZINC000004855329 559192522 /nfs/dbraw/zinc/19/25/22/559192522.db2.gz LHVWLHDPGCTXBT-UHFFFAOYSA-N -1 0 410.651 4.137 50 0 HIAARM COC(=O)[C@H](CC(C)C)NC(=O)[N-]P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000005165463 559279531 /nfs/dbraw/zinc/27/95/31/559279531.db2.gz KYGQSIAEKYLWBJ-SFHVURJKSA-N -1 0 420.402 4.139 50 0 biogenic HIAARM COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)[O-])c(Br)c3N2)cc1 ZINC000002228042 560559411 /nfs/dbraw/zinc/55/94/11/560559411.db2.gz WXYBLRGDIOZLQS-VHSXEESVSA-N -1 0 420.185 4.013 50 0 HIAARM COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)[O-])c(Br)c3N2)cc1 ZINC000002228040 560559478 /nfs/dbraw/zinc/55/94/78/560559478.db2.gz WXYBLRGDIOZLQS-NXEZZACHSA-N -1 0 420.185 4.013 50 0 HIAARM COc1ccc(CN(C(=O)COc2ccccc2C)c2ccccc2C(=O)[O-])cc1 ZINC000003170786 560588662 /nfs/dbraw/zinc/58/86/62/560588662.db2.gz HMLDBPYSBCTOIM-UHFFFAOYSA-N -1 0 405.450 4.314 50 0 HIAARM COc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000005601875 560629168 /nfs/dbraw/zinc/62/91/68/560629168.db2.gz ACPFMHBHDDYRQA-UHFFFAOYSA-N -1 0 415.298 4.151 50 0 HIAARM O=C(c1ccc(Br)o1)c1c(=O)n(-c2ccccc2)[n-]c1-c1ccccc1 ZINC000101087720 560775561 /nfs/dbraw/zinc/77/55/61/560775561.db2.gz VYORCGFMSHUBNV-KRWDZBQOSA-N -1 0 409.239 4.292 50 0 HIAARM O=C(Nc1cccc(F)c1)c1ccc2[n-]cc3c(=O)n(-c4ccc(F)cc4)nc-3c2c1 ZINC000101828848 560802758 /nfs/dbraw/zinc/80/27/58/560802758.db2.gz UQEPNKDPXCUHJB-UHFFFAOYSA-N -1 0 416.387 4.349 50 0 HIAARM Cc1cccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccccc2Cl)c1 ZINC000101835955 560803490 /nfs/dbraw/zinc/80/34/90/560803490.db2.gz CIOYJEPBAXIWMZ-GOSISDBHSA-N -1 0 408.845 4.081 50 0 HIAARM O=c1oc2ccccc2c(NC2CCCCC2)c1NS(=O)(=O)c1cccc(F)c1 ZINC000045962146 568422824 /nfs/dbraw/zinc/42/28/24/568422824.db2.gz IKOZMMIXDZDWSL-UHFFFAOYSA-N -1 0 416.474 4.478 50 0 HIAARM Cc1nn(-c2ccc(F)cc2F)c2c1C(=C([O-])c1ccc(Cl)s1)CC(=O)N2 ZINC000046057175 568426071 /nfs/dbraw/zinc/42/60/71/568426071.db2.gz SHTXJQZVJQFQEO-JTQLQIEISA-N -1 0 407.829 4.483 50 0 HIAARM Cc1ccc2c(ncc(C(=O)N3CCCC[C@@H]3C)c2Nc2ccc(CC(=O)[O-])cc2)n1 ZINC000049005280 568444499 /nfs/dbraw/zinc/44/44/99/568444499.db2.gz PZTSBFAVEHHUGT-INIZCTEOSA-N -1 0 418.497 4.324 50 0 HIAARM CC[C@@H](C)N(C)C(=O)c1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[n-]c1=O ZINC000215526018 568461071 /nfs/dbraw/zinc/46/10/71/568461071.db2.gz AIFFHZVOXSTCHQ-SECBINFHSA-N -1 0 421.341 4.345 50 0 HIAARM Cc1cc2c(nc3s/c(=C\c4ccc(-c5cccc(C(=O)[O-])c5)o4)c(=O)n32)c(C)c1 ZINC000022033814 568473279 /nfs/dbraw/zinc/47/32/79/568473279.db2.gz PIOCCSAKADOZFV-ODLFYWEKSA-N -1 0 416.458 4.032 50 0 HIAARM C[C@@]12C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@H]1C1c3ccccc3C2c2ccccc21 ZINC000000828231 568500258 /nfs/dbraw/zinc/50/02/58/568500258.db2.gz GMZGRRUOIYIHFS-PKPIXHQUSA-N -1 0 409.441 4.172 50 0 HIAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(-c3cnc(C)o3)cc2)c1 ZINC000021032260 568659655 /nfs/dbraw/zinc/65/96/55/568659655.db2.gz AKTNAGGGAWEJRK-UHFFFAOYSA-N -1 0 402.472 4.248 50 0 HIAARM CCc1cccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCCCC2)c1 ZINC000021154469 568673271 /nfs/dbraw/zinc/67/32/71/568673271.db2.gz RFWCIQUTGLZMHX-UHFFFAOYSA-N -1 0 417.575 4.021 50 0 HIAARM O=C([O-])c1ccc2[nH]c(CNC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000399675921 568698526 /nfs/dbraw/zinc/69/85/26/568698526.db2.gz OBRGZLKTPZDPHB-UHFFFAOYSA-N -1 0 413.433 4.300 50 0 HIAARM O=C([O-])[C@@H]1C[C@H]2CC(=O)CC[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000238789997 568726430 /nfs/dbraw/zinc/72/64/30/568726430.db2.gz AYHUVPFAIXSTEV-LNPFQXMTSA-N -1 0 419.477 4.080 50 0 HIAARM Cc1[nH]c(-c2nnc(C3CCC3)o2)c(C)c1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000096379513 568741018 /nfs/dbraw/zinc/74/10/18/568741018.db2.gz PWSVPJNYCDILAS-UHFFFAOYSA-N -1 0 406.895 4.403 50 0 HIAARM CSc1ccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2-c2nnc(C3CC3)o2)cc1 ZINC000096379672 568741370 /nfs/dbraw/zinc/74/13/70/568741370.db2.gz CBMDVVJJZXRGRU-UHFFFAOYSA-N -1 0 404.517 4.082 50 0 HIAARM Cc1ccccc1Cn1nc(CNCc2ccc(C(=O)[O-])cc2)c(-c2ccccc2)n1 ZINC000248164218 568747875 /nfs/dbraw/zinc/74/78/75/568747875.db2.gz QNMJACSLJWSKFG-UHFFFAOYSA-N -1 0 412.493 4.290 50 0 HIAARM O=C([O-])c1ccccc1NC(=O)/C(=C/c1cccnc1Cl)C(=O)Nc1ccccc1 ZINC000215739868 568796033 /nfs/dbraw/zinc/79/60/33/568796033.db2.gz ZCDZQAFYQXYMMJ-GHRIWEEISA-N -1 0 421.840 4.094 50 0 HIAARM O=S(=O)([N-]c1ncn(Cc2ccc(Cl)cc2Cl)n1)c1ccc(Cl)cc1 ZINC000002774905 568807971 /nfs/dbraw/zinc/80/79/71/568807971.db2.gz LURFWCVNOVRSBS-UHFFFAOYSA-N -1 0 417.705 4.087 50 0 HIAARM O=C([O-])CCCCCn1c(=O)c2sccc2nc1SCC(=O)c1ccccc1 ZINC000002925610 568817470 /nfs/dbraw/zinc/81/74/70/568817470.db2.gz JROFHYTYTHBAOI-UHFFFAOYSA-N -1 0 416.524 4.078 50 0 HIAARM C[C@@H]1C[C@H](C)CN(C(=O)C2CCC(Cn3c(=O)c4ccccc4[n-]c3=S)CC2)C1 ZINC000002972114 568832090 /nfs/dbraw/zinc/83/20/90/568832090.db2.gz LSWNFIYKCYVERM-OQSMONGASA-N -1 0 413.587 4.370 50 0 HIAARM O=C1CCCN1c1ccccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000012552612 568854397 /nfs/dbraw/zinc/85/43/97/568854397.db2.gz MVUCCCMKSLPSAK-UHFFFAOYSA-N -1 0 418.824 4.286 50 0 HIAARM Cc1oc2c(ccc([O-])c2C[NH2+]CCCCCC(=O)[O-])c(=O)c1-c1ccc(F)cc1 ZINC000003150529 568858402 /nfs/dbraw/zinc/85/84/02/568858402.db2.gz APPGMCBAYAMCJR-UHFFFAOYSA-N -1 0 413.445 4.348 50 0 biogenic HIAARM CCCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(Br)c2)cc1 ZINC000003623655 568864590 /nfs/dbraw/zinc/86/45/90/568864590.db2.gz XKPLIGRHTPRUEK-QGZVFWFLSA-N -1 0 406.276 4.184 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccc(C)cc2)s1 ZINC000012605580 568871010 /nfs/dbraw/zinc/87/10/10/568871010.db2.gz JHSKAJOXGMXFLU-UHFFFAOYSA-N -1 0 400.525 4.096 50 0 HIAARM O=c1nc(CSc2nnc(-c3ccccc3)n2Cc2ccco2)[n-]c2ccsc21 ZINC000003329886 568881649 /nfs/dbraw/zinc/88/16/49/568881649.db2.gz LCXKKOSXZTXNHT-UHFFFAOYSA-N -1 0 421.507 4.177 50 0 HIAARM CCCCCn1c(=O)c2ccc(C(=O)NCc3ccccc3OC)cc2[n-]c1=S ZINC000003631155 568921388 /nfs/dbraw/zinc/92/13/88/568921388.db2.gz KMCSANCKJPCCDA-UHFFFAOYSA-N -1 0 411.527 4.188 50 0 HIAARM O=S(=O)([N-]c1cccc(-c2nc3cccnc3s2)c1)c1ccc(F)cc1F ZINC000004036380 568935609 /nfs/dbraw/zinc/93/56/09/568935609.db2.gz YJRUBTGGYAKSFW-UHFFFAOYSA-N -1 0 403.435 4.437 50 0 HIAARM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(OCc3ccc(F)cc3)c2)cc1F ZINC000084374576 568948271 /nfs/dbraw/zinc/94/82/71/568948271.db2.gz OONWUZQJHBOIAH-UHFFFAOYSA-N -1 0 419.405 4.043 50 0 HIAARM O=C(c1c[nH]c(-c2nnc3c(Cl)cc(C(F)(F)F)cn23)c1)c1ccccc1[O-] ZINC000007986584 568964884 /nfs/dbraw/zinc/96/48/84/568964884.db2.gz QLQVNAOJDBULNR-UHFFFAOYSA-N -1 0 406.751 4.333 50 0 HIAARM O=C(Nc1ccc(F)c(F)c1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006146962 569014574 /nfs/dbraw/zinc/01/45/74/569014574.db2.gz PWZOWIGRGOLLKC-UHFFFAOYSA-N -1 0 406.385 4.157 50 0 HIAARM Cn1c2ccccc2nc1CCc1cccc([N-]S(=O)(=O)c2ccccc2F)c1 ZINC000015870555 569017314 /nfs/dbraw/zinc/01/73/14/569017314.db2.gz CGCNIMSLVCVHMM-UHFFFAOYSA-N -1 0 409.486 4.298 50 0 HIAARM COc1c(F)c(F)c(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)c(F)c1F ZINC000012942443 569028767 /nfs/dbraw/zinc/02/87/67/569028767.db2.gz DVAOTAYZWHHDFG-UHFFFAOYSA-N -1 0 404.168 4.359 50 0 HIAARM C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000053416981 569030656 /nfs/dbraw/zinc/03/06/56/569030656.db2.gz GILIYITZGZNJAC-JTQLQIEISA-N -1 0 418.316 4.121 50 0 HIAARM Cc1nnc2c(Nc3cccc(C(=O)[O-])c3)nc3ccc(C(=O)c4ccccc4)cc3n12 ZINC000016363495 569032524 /nfs/dbraw/zinc/03/25/24/569032524.db2.gz ZEUORXLIALLFGJ-UHFFFAOYSA-N -1 0 423.432 4.259 50 0 HIAARM Cc1ccc(-c2nnc(-c3cccc(S(=O)(=O)[N-]c4ccccc4O)c3)o2)cc1 ZINC000035511711 569043123 /nfs/dbraw/zinc/04/31/23/569043123.db2.gz DQYPNOYZQQIFJD-UHFFFAOYSA-N -1 0 407.451 4.218 50 0 HIAARM C[C@@H](C(=O)[O-])n1c(SCc2nc(-c3ccsc3)no2)nnc1-c1cccs1 ZINC000012998719 569048879 /nfs/dbraw/zinc/04/88/79/569048879.db2.gz ZCMYZCHVDNLSDV-VIFPVBQESA-N -1 0 419.513 4.056 50 0 HIAARM C[C@H](C(=O)[O-])n1c(SCc2nc(-c3ccsc3)no2)nnc1-c1cccs1 ZINC000012998721 569048886 /nfs/dbraw/zinc/04/88/86/569048886.db2.gz ZCMYZCHVDNLSDV-SECBINFHSA-N -1 0 419.513 4.056 50 0 HIAARM COc1ccccc1-c1coc2c(c([O-])cc3c2[C@H](c2cccnc2)CC(=O)O3)c1=O ZINC000524729551 569051631 /nfs/dbraw/zinc/05/16/31/569051631.db2.gz YFWDUJQHZZFDPS-HNNXBMFYSA-N -1 0 415.401 4.010 50 0 HIAARM O=C([O-])c1cccc2c1-c1ccccc1C2N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000252625316 569060876 /nfs/dbraw/zinc/06/08/76/569060876.db2.gz QHLBJLZMJWFUSH-UHFFFAOYSA-N -1 0 404.338 4.046 50 0 HIAARM O=C(NCCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000006507462 569061799 /nfs/dbraw/zinc/06/17/99/569061799.db2.gz PXWIMPKGLUVCAL-UHFFFAOYSA-N -1 0 414.914 4.113 50 0 HIAARM CCCCC(=O)Nc1ccc(N2CCN(c3ccc(Cl)cc3)CC2)cc1C(=O)[O-] ZINC000064589730 569069037 /nfs/dbraw/zinc/06/90/37/569069037.db2.gz TUIATHNAHDHIDU-UHFFFAOYSA-N -1 0 415.921 4.494 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 ZINC000006623363 569075115 /nfs/dbraw/zinc/07/51/15/569075115.db2.gz YHEFKKITCCMTJG-UHFFFAOYSA-N -1 0 415.446 4.279 50 0 HIAARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1cccc(OC)c1 ZINC000064670110 569079046 /nfs/dbraw/zinc/07/90/46/569079046.db2.gz JVIGBPOTDLKRER-UHFFFAOYSA-N -1 0 404.513 4.327 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2cc(C)no2)cc1OC ZINC000064845303 569108097 /nfs/dbraw/zinc/10/80/97/569108097.db2.gz GRYHDISBKKDFNT-UHFFFAOYSA-N -1 0 408.501 4.146 50 0 HIAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2onc(C)c2C)cc1 ZINC000064845884 569108221 /nfs/dbraw/zinc/10/82/21/569108221.db2.gz FQPMGOVSEIQLBN-UHFFFAOYSA-N -1 0 419.528 4.396 50 0 HIAARM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCC4)o3)s2)cc1 ZINC000064920384 569121187 /nfs/dbraw/zinc/12/11/87/569121187.db2.gz HGIQTEQZGVGTIA-UHFFFAOYSA-N -1 0 403.485 4.069 50 0 HIAARM CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1cc(OC)ccc1OC ZINC000006887824 569171425 /nfs/dbraw/zinc/17/14/25/569171425.db2.gz NZLUFJAEHCHKKO-UHFFFAOYSA-N -1 0 402.472 4.030 50 0 HIAARM CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3C)c(C)n2CC)o1 ZINC000065186595 569192268 /nfs/dbraw/zinc/19/22/68/569192268.db2.gz SGITUNZBLWFIDM-UHFFFAOYSA-N -1 0 422.938 4.500 50 0 HIAARM Cc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000007051247 569213422 /nfs/dbraw/zinc/21/34/22/569213422.db2.gz ZSYQPAIZXDPZIT-UHFFFAOYSA-N -1 0 402.422 4.326 50 0 HIAARM CC[C@H](CC(F)(F)F)NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000170595331 569241440 /nfs/dbraw/zinc/24/14/40/569241440.db2.gz SUFGMAYGOYFUKW-GFCCVEGCSA-N -1 0 406.451 4.010 50 0 HIAARM CCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000007505329 569243450 /nfs/dbraw/zinc/24/34/50/569243450.db2.gz PMLUMMPWSUSKEJ-UHFFFAOYSA-N -1 0 416.421 4.253 50 0 HIAARM O=C([O-])CCCC(=O)N1N=C(c2cccc(Br)c2)C[C@@H]1c1ccccc1 ZINC000170620225 569248684 /nfs/dbraw/zinc/24/86/84/569248684.db2.gz WQXUSFFMKXCILI-GOSISDBHSA-N -1 0 415.287 4.382 50 0 HIAARM CCCCOC(=O)c1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)[C@@H](C)C4)cc1 ZINC000170624671 569249460 /nfs/dbraw/zinc/24/94/60/569249460.db2.gz ZCFLPQPXKLXLIC-AWEZNQCLSA-N -1 0 420.465 4.033 50 0 HIAARM CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@](C)(C(=O)[O-])c1ccccn1 ZINC000226779342 569279403 /nfs/dbraw/zinc/27/94/03/569279403.db2.gz SNMPHQXYCMBKAC-XMMPIXPASA-N -1 0 402.450 4.262 50 0 HIAARM O=C([O-])[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1CCOC2(CCC2)C1 ZINC000227174354 569279670 /nfs/dbraw/zinc/27/96/70/569279670.db2.gz KGDURSJCUICWCO-AOMKIAJQSA-N -1 0 421.493 4.328 50 0 HIAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N[C@@H](C)C(=O)[O-])occ3-c1ccccc1 ZINC000002104980 569282205 /nfs/dbraw/zinc/28/22/05/569282205.db2.gz WMBHYZBRHYIUHX-AWEZNQCLSA-N -1 0 419.433 4.037 50 0 biogenic HIAARM COc1ccc([C@H]2CC(=O)Oc3ccc(C(=O)c4ccccc4)c([O-])c32)cc1OC ZINC000253408447 569366302 /nfs/dbraw/zinc/36/63/02/569366302.db2.gz KSQYQMJLHNFZHJ-QGZVFWFLSA-N -1 0 404.418 4.081 50 0 HIAARM Cc1ccc(NC(=O)CCC(=O)NN=Cc2cc(Cl)cc(Cl)c2[O-])c(C)c1 ZINC000254350279 569394019 /nfs/dbraw/zinc/39/40/19/569394019.db2.gz PPGCPMWERJVVRK-UHFFFAOYSA-N -1 0 408.285 4.185 50 0 HIAARM COc1cccc(-c2[nH]nc3nc(-c4ccc(OC)cc4OC)cc(C(=O)[O-])c32)c1 ZINC000013363594 569412081 /nfs/dbraw/zinc/41/20/81/569412081.db2.gz GKORBMJRGVKNPG-UHFFFAOYSA-N -1 0 405.410 4.016 50 0 HIAARM O=C(c1csc(-c2cccc(C(F)(F)F)c2)n1)N1CCCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000328592030 569415315 /nfs/dbraw/zinc/41/53/15/569415315.db2.gz PLFWZDIPRFOYOX-CYBMUJFWSA-N -1 0 423.420 4.020 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000008725737 571108288 /nfs/dbraw/zinc/10/82/88/571108288.db2.gz GESJYONCCIQZJK-UHFFFAOYSA-N -1 0 422.506 4.237 50 0 HIAARM O=C(Nc1cccc2cccnc21)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000040144921 571195038 /nfs/dbraw/zinc/19/50/38/571195038.db2.gz PVIHNXDRRJFQBK-UHFFFAOYSA-N -1 0 409.492 4.349 50 0 HIAARM COc1cc(Cl)c([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)s2)c(OC)c1 ZINC000009269000 571244185 /nfs/dbraw/zinc/24/41/85/571244185.db2.gz AROWLPOXIILECL-UHFFFAOYSA-N -1 0 414.892 4.183 50 0 HIAARM O=S(=O)([N-]c1cccc(-c2ccc(N3CCCC3)nn2)c1)c1ccc(Cl)s1 ZINC000009529588 571266643 /nfs/dbraw/zinc/26/66/43/571266643.db2.gz QYXCUEGFBQEAKO-UHFFFAOYSA-N -1 0 420.947 4.260 50 0 HIAARM Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c(C)n1C ZINC000009685333 571279839 /nfs/dbraw/zinc/27/98/39/571279839.db2.gz WUBGKNXQZSIRIR-UHFFFAOYSA-N -1 0 417.575 4.076 50 0 HIAARM Cc1c(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)cccc1C(=O)[O-] ZINC000009762337 571284661 /nfs/dbraw/zinc/28/46/61/571284661.db2.gz BQSKFXUBUSFLBA-UHFFFAOYSA-N -1 0 420.490 4.399 50 0 HIAARM Cc1c(Cl)cccc1NC(=O)Cc1csc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000009828727 571287021 /nfs/dbraw/zinc/28/70/21/571287021.db2.gz MUXIMVNWCYGBND-UHFFFAOYSA-N -1 0 421.931 4.087 50 0 HIAARM Cc1cc(C)c(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccccc3)n2)c(C)c1 ZINC000009828730 571287073 /nfs/dbraw/zinc/28/70/73/571287073.db2.gz NYCSAFQLXPAQGE-UHFFFAOYSA-N -1 0 415.540 4.050 50 0 HIAARM CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1nc2c(cc(C)cc2C)s1 ZINC000033048515 571308996 /nfs/dbraw/zinc/30/89/96/571308996.db2.gz QMLBXOXFORUJFH-UHFFFAOYSA-N -1 0 419.528 4.071 50 0 HIAARM O=C([O-])[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)Oc1ccc(F)cc1 ZINC000521396592 571316369 /nfs/dbraw/zinc/31/63/69/571316369.db2.gz IPCGGIWWEWKDHC-QFIPXVFZSA-N -1 0 421.424 4.196 50 0 HIAARM Cc1cc(=O)n(-c2nc(-c3ccccc3)cc(-c3ccc(Br)cc3)n2)[n-]1 ZINC000002496906 845007182 /nfs/dbraw/zinc/00/71/82/845007182.db2.gz OFORSEJEANFVLS-UHFFFAOYSA-N -1 0 407.271 4.361 50 0 HIAARM Cc1ccc(C)c(/C=C(/C(=O)[O-])c2ccc(S(=O)(=O)N3CCCCC3)s2)c1 ZINC000003264710 845011035 /nfs/dbraw/zinc/01/10/35/845011035.db2.gz MVAPOZMVGYHALF-GHRIWEEISA-N -1 0 405.541 4.165 50 0 HIAARM O=C([O-])CCc1ccc(S(=O)(=O)Nc2cccc(/C=C/c3ccccn3)c2)cc1 ZINC000006582344 845211789 /nfs/dbraw/zinc/21/17/89/845211789.db2.gz IEXUAHMPPVCTIG-YRNVUSSQSA-N -1 0 408.479 4.070 50 0 HIAARM COc1ccc(/C=C2/CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc1OCC(C)C ZINC000096792822 852556303 /nfs/dbraw/zinc/55/63/03/852556303.db2.gz BMPDEQORRSTDNN-YBEGLDIGSA-N -1 0 420.465 4.082 50 0 HIAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 ZINC000004811085 132289101 /nfs/dbraw/zinc/28/91/01/132289101.db2.gz DLWHFPQKKGBCSX-VQTJNVASSA-N -1 0 406.482 4.109 50 0 HIAARM CCOc1ccc(NC(CC)=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000009245137 132337523 /nfs/dbraw/zinc/33/75/23/132337523.db2.gz WDRYBQNDUWNTGM-ISLYRVAYSA-N -1 0 413.861 4.098 50 0 HIAARM CCCCN(CC)c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1C(=O)[O-] ZINC000032962130 520483755 /nfs/dbraw/zinc/48/37/55/520483755.db2.gz RYTOWFPRAYJGFE-UHFFFAOYSA-N -1 0 418.515 4.015 50 0 HIAARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@@H](c2cc(OC)ccc2OC)CC(=O)N3)cc1 ZINC000040309022 523326097 /nfs/dbraw/zinc/32/60/97/523326097.db2.gz WWKUHYQZAARATM-QGZVFWFLSA-N -1 0 422.437 4.325 50 0 HIAARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@H](c2ccc(OC)c(O)c2)CC(=O)N3)cc1 ZINC000040312438 523326289 /nfs/dbraw/zinc/32/62/89/523326289.db2.gz PWCULEPPHWGRNZ-HNNXBMFYSA-N -1 0 408.410 4.022 50 0 HIAARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@H](c2cccc(OC)c2OC)CC(=O)N3)cc1 ZINC000040312666 523326798 /nfs/dbraw/zinc/32/67/98/523326798.db2.gz NHXBUHPACZHDOS-INIZCTEOSA-N -1 0 422.437 4.325 50 0 HIAARM Cc1ccc(C)c(NC(=O)Cc2ccc([N-]S(=O)(=O)c3cccs3)cc2)c1 ZINC000031940419 524138577 /nfs/dbraw/zinc/13/85/77/524138577.db2.gz JHAIXYLJDOZHDT-UHFFFAOYSA-N -1 0 400.525 4.347 50 0 HIAARM Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCCCCC3)c(C(=O)[O-])c2)cc1C ZINC000032962111 524325548 /nfs/dbraw/zinc/32/55/48/524325548.db2.gz QGAJKEDZNXATPV-UHFFFAOYSA-N -1 0 416.543 4.491 50 0 HIAARM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c(C(C)C)cc1Br ZINC000032602082 525420872 /nfs/dbraw/zinc/42/08/72/525420872.db2.gz IHGYBKXOCKRQJE-UHFFFAOYSA-N -1 0 412.305 4.380 50 0 HIAARM Cc1c(-c2ccc(Cl)cc2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000032090665 525507446 /nfs/dbraw/zinc/50/74/46/525507446.db2.gz NQNUVZQEXCAJJK-MRXNPFEDSA-N -1 0 424.844 4.382 50 0 HIAARM Cc1ccc(-c2cc(C[C@@]3(C(=O)[O-])CCCN(C(=O)OC(C)(C)C)C3)on2)cc1 ZINC000077010652 525733454 /nfs/dbraw/zinc/73/34/54/525733454.db2.gz HBPHYZBPXVEWQM-QFIPXVFZSA-N -1 0 400.475 4.294 50 0 HIAARM COc1cccc(CN2C(=O)C(=O)C(c3ccccc3)[C@H]2c2ccc(C(=O)[O-])cc2)c1 ZINC000040485625 525928098 /nfs/dbraw/zinc/92/80/98/525928098.db2.gz KLTMMEBCUREELU-JOCHJYFZSA-N -1 0 415.445 4.446 50 0 HIAARM Cc1ccc2cc(C(=O)N[C@@H](CC(=O)[O-])c3cccc(Br)c3)[nH]c2c1 ZINC000237891218 526227720 /nfs/dbraw/zinc/22/77/20/526227720.db2.gz URFRBDGURBSRMX-INIZCTEOSA-N -1 0 401.260 4.185 50 0 HIAARM O=C([O-])c1cc(NS(=O)(=O)c2cccc(F)c2)ccc1N1CCCCCCC1 ZINC000032962187 526354501 /nfs/dbraw/zinc/35/45/01/526354501.db2.gz WWFYFQVRANYNHN-UHFFFAOYSA-N -1 0 406.479 4.095 50 0 HIAARM Cc1nc2sc([C@@H](c3cccc(Br)c3)N3CCCCC3)c([O-])n2n1 ZINC000022625997 557077655 /nfs/dbraw/zinc/07/76/55/557077655.db2.gz DFQJUVOCJJMKHE-CQSZACIVSA-N -1 0 407.337 4.143 50 0 HIAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CCCCC2)cc1Cl ZINC000001065802 557166289 /nfs/dbraw/zinc/16/62/89/557166289.db2.gz XMAFZJKTRYBBSM-UHFFFAOYSA-N -1 0 422.934 4.212 50 0 HIAARM COc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000001072915 557170988 /nfs/dbraw/zinc/17/09/88/557170988.db2.gz BSDHPIKXAWANDS-UHFFFAOYSA-N -1 0 416.886 4.402 50 0 HIAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1C ZINC000001128574 557196960 /nfs/dbraw/zinc/19/69/60/557196960.db2.gz MJVULFZOYLSYDB-KRWDZBQOSA-N -1 0 424.522 4.295 50 0 HIAARM CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000002238406 557330257 /nfs/dbraw/zinc/33/02/57/557330257.db2.gz MDUJORSIJGFZCM-UHFFFAOYSA-N -1 0 406.891 4.344 50 0 HIAARM O=C([O-])[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1Cc2ccccc2C1 ZINC000002567694 557357135 /nfs/dbraw/zinc/35/71/35/557357135.db2.gz PLYYQWWELYJSEB-DEOSSOPVSA-N -1 0 413.473 4.393 50 0 HIAARM COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000004179865 557525362 /nfs/dbraw/zinc/52/53/62/557525362.db2.gz LHGRBARTNZEDSG-KBPBESRZSA-N -1 0 405.447 4.170 50 0 HIAARM C[C@H](Oc1ccccc1)C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000004550939 557566062 /nfs/dbraw/zinc/56/60/62/557566062.db2.gz LKTNIURLAUPMBC-HNNXBMFYSA-N -1 0 404.422 4.043 50 0 HIAARM CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000005094779 557635392 /nfs/dbraw/zinc/63/53/92/557635392.db2.gz YHQQZTIVNVWNBT-HUUCEWRRSA-N -1 0 417.458 4.336 50 0 HIAARM C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C ZINC000005276019 557643196 /nfs/dbraw/zinc/64/31/96/557643196.db2.gz OHXPGWPVLFPUSM-NHJLYVEHSA-N -1 0 402.531 4.073 50 0 in-man HIAARM Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000002761379 557755386 /nfs/dbraw/zinc/75/53/86/557755386.db2.gz VXODYQDSLYFXKR-KBPBESRZSA-N -1 0 422.312 4.461 50 0 HIAARM Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000002762715 557755830 /nfs/dbraw/zinc/75/58/30/557755830.db2.gz FJKDRXXCMIRMKS-GJZGRUSLSA-N -1 0 422.312 4.461 50 0 HIAARM CCCSc1nnc2c(n1)O[C@@H](c1ccc(OCC(=O)[O-])cc1)Nc1ccccc1-2 ZINC000008583947 557795841 /nfs/dbraw/zinc/79/58/41/557795841.db2.gz VRROYWXDROBNNL-IBGZPJMESA-N -1 0 424.482 4.007 50 0 HIAARM COc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1COc1c(Cl)cccc1Cl ZINC000020606364 558387933 /nfs/dbraw/zinc/38/79/33/558387933.db2.gz PKAQOXLVBYJPIF-WMLDXEAASA-N -1 0 414.310 4.369 50 0 HIAARM COc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)cc1COc1c(Cl)cccc1Cl ZINC000020606363 558388014 /nfs/dbraw/zinc/38/80/14/558388014.db2.gz PKAQOXLVBYJPIF-PBHICJAKSA-N -1 0 414.310 4.369 50 0 HIAARM Cc1c2c(cc(=O)n1CCc1cccs1)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000012408275 558399110 /nfs/dbraw/zinc/39/91/10/558399110.db2.gz CGBGFDREACAAQK-UHFFFAOYSA-N -1 0 408.508 4.067 50 0 HIAARM O=C([O-])[C@@H]1CCO[C@H]1C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000328596519 558430668 /nfs/dbraw/zinc/43/06/68/558430668.db2.gz ZLIPZVDWVARQTG-GGAORHGYSA-N -1 0 421.493 4.137 50 0 HIAARM COC(=O)c1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000013140965 558521986 /nfs/dbraw/zinc/52/19/86/558521986.db2.gz BXYKHZGTIHNIFL-UHFFFAOYSA-N -1 0 412.305 4.160 50 0 HIAARM CC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000022959964 558528024 /nfs/dbraw/zinc/52/80/24/558528024.db2.gz CYULDOAGGBJHMO-UHFFFAOYSA-N -1 0 401.315 4.323 50 0 HIAARM O=C([O-])C1(CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)CCCCCC1 ZINC000013467060 558533511 /nfs/dbraw/zinc/53/35/11/558533511.db2.gz DVXOJNYAEKXXEB-UHFFFAOYSA-N -1 0 410.396 4.040 50 0 HIAARM Cc1nn2c(nc(-c3ccc(Cl)c(Cl)c3)cc2C(=O)[O-])c1Br ZINC000013645815 558556639 /nfs/dbraw/zinc/55/66/39/558556639.db2.gz ZJBBVUNXGJEZNY-UHFFFAOYSA-N -1 0 401.047 4.472 50 0 HIAARM CC(C)Cn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1-c1ccccc1 ZINC000072191546 558562966 /nfs/dbraw/zinc/56/29/66/558562966.db2.gz FGDAZLPFWBCFTA-UHFFFAOYSA-N -1 0 410.499 4.030 50 0 HIAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@@H]2c1ccc2c(c1)OCO2 ZINC000015081501 558719102 /nfs/dbraw/zinc/71/91/02/558719102.db2.gz WUZSUVGWWOXESM-CYBMUJFWSA-N -1 0 411.410 4.455 50 0 HIAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000030032286 558726626 /nfs/dbraw/zinc/72/66/26/558726626.db2.gz LIMJBRZNKLEULG-IBGZPJMESA-N -1 0 421.547 4.477 50 0 HIAARM O=C(NCCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000000754609 558774165 /nfs/dbraw/zinc/77/41/65/558774165.db2.gz OCUKXILSLZSLEU-UHFFFAOYSA-N -1 0 414.914 4.113 50 0 HIAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccccc2)cc1 ZINC000016955645 558809952 /nfs/dbraw/zinc/80/99/52/558809952.db2.gz NHOWEWKSTUSOMT-UHFFFAOYSA-N -1 0 406.467 4.183 50 0 HIAARM O=C([O-])CCCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCCC2 ZINC000017081944 558813963 /nfs/dbraw/zinc/81/39/63/558813963.db2.gz MMZRDEIFTHURSA-UHFFFAOYSA-N -1 0 400.500 4.463 50 0 HIAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)Nc1cnn(Cc2cccc3ccccc32)c1 ZINC000017082668 558814983 /nfs/dbraw/zinc/81/49/83/558814983.db2.gz QYICEYDXNCJDNP-WUEBJWAZSA-N -1 0 403.482 4.160 50 0 HIAARM CCc1c(C)sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1C(=O)NC1CCCC1 ZINC000017087436 558816298 /nfs/dbraw/zinc/81/62/98/558816298.db2.gz WDWNMLBIUGAYOR-JKSUJKDBSA-N -1 0 406.548 4.121 50 0 HIAARM Cc1sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c(C(=O)NC2CCCCC2)c1C ZINC000017087439 558816316 /nfs/dbraw/zinc/81/63/16/558816316.db2.gz RGNYMTBVKNUQQO-HZPDHXFCSA-N -1 0 406.548 4.257 50 0 HIAARM CC[C@H]1CCc2c(sc(NC(=O)CCCC(=O)[O-])c2C(=O)NC2CCCC2)C1 ZINC000017087446 558816319 /nfs/dbraw/zinc/81/63/19/558816319.db2.gz KNBYHLCXCIATSY-ZDUSSCGKSA-N -1 0 406.548 4.129 50 0 HIAARM C[C@H]1CCc2c(sc(NC(=O)CCCC(=O)[O-])c2C(=O)NC2CCCCC2)C1 ZINC000017087458 558816324 /nfs/dbraw/zinc/81/63/24/558816324.db2.gz SWODSZHYSIVRQB-ZDUSSCGKSA-N -1 0 406.548 4.129 50 0 HIAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc(F)c2)cc1 ZINC000017207549 558825785 /nfs/dbraw/zinc/82/57/85/558825785.db2.gz LTUKKANLYJMPPG-UHFFFAOYSA-N -1 0 424.457 4.322 50 0 HIAARM CCC[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccccc1 ZINC000032999868 558826431 /nfs/dbraw/zinc/82/64/31/558826431.db2.gz DOIDAYHANCLVHS-GOSISDBHSA-N -1 0 415.540 4.466 50 0 HIAARM Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCCCC3)cc2C(=O)[O-])c(C)c1 ZINC000033007255 558827853 /nfs/dbraw/zinc/82/78/53/558827853.db2.gz IOIOWGSZVZFDRF-UHFFFAOYSA-N -1 0 402.516 4.183 50 0 HIAARM O=S(=O)([N-]c1cccc(CCc2nc3ccccc3[nH]2)c1)c1cc(F)ccc1F ZINC000033116572 558877813 /nfs/dbraw/zinc/87/78/13/558877813.db2.gz TYPZESFRQNFGDG-UHFFFAOYSA-N -1 0 413.449 4.427 50 0 HIAARM CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2cccc(C)c2)s1 ZINC000033306475 559051686 /nfs/dbraw/zinc/05/16/86/559051686.db2.gz RSLJOADEFASMDR-VQHVLOKHSA-N -1 0 417.512 4.283 50 0 HIAARM Cc1nn(-c2ccc(-c3ccc(C)cc3)nn2)c(C)c1S(=O)(=O)[N-]c1ccccc1 ZINC000033308169 559052295 /nfs/dbraw/zinc/05/22/95/559052295.db2.gz XPLFUWNJSMULTB-UHFFFAOYSA-N -1 0 419.510 4.055 50 0 HIAARM O=C([O-])[C@@H]1ON(c2ccccc2)[C@H](c2ccccc2)[C@H]1C(=O)Nc1ccc(F)cc1 ZINC000004770159 559055619 /nfs/dbraw/zinc/05/56/19/559055619.db2.gz ONDFJSDDIDXXQC-NJDAHSKKSA-N -1 0 406.413 4.027 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)c(OC)c1 ZINC000095453662 559147766 /nfs/dbraw/zinc/14/77/66/559147766.db2.gz VBBIMUIBRHNMBR-UHFFFAOYSA-N -1 0 424.675 4.060 50 0 HIAARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2nnc(C(C)C)s2)c1=O ZINC000100512721 559214815 /nfs/dbraw/zinc/21/48/15/559214815.db2.gz CSPVPWCGHUGBAU-UHFFFAOYSA-N -1 0 400.504 4.125 50 0 HIAARM COCCCn1c(=O)c2ccc(C(=O)Nc3cccc(C(C)C)c3)cc2[n-]c1=S ZINC000011869409 559264643 /nfs/dbraw/zinc/26/46/43/559264643.db2.gz ZRKPTMVXKXAGQH-UHFFFAOYSA-N -1 0 411.527 4.471 50 0 HIAARM Cc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccc(Cl)cc2)cc1C ZINC000101298440 560791191 /nfs/dbraw/zinc/79/11/91/560791191.db2.gz UJYCZMAITRHQQU-IBGZPJMESA-N -1 0 422.872 4.389 50 0 HIAARM CCCOc1ccc(-c2noc(-c3c([O-])c4ccc(F)cc4n(CC)c3=O)n2)cc1 ZINC000101724777 560798458 /nfs/dbraw/zinc/79/84/58/560798458.db2.gz LJLCROAICPRRLM-UHFFFAOYSA-N -1 0 409.417 4.372 50 0 HIAARM Cc1cc(C)cc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2cccc(Cl)c2)c1 ZINC000101835543 560803331 /nfs/dbraw/zinc/80/33/31/560803331.db2.gz LRLOVBAUWNCGTK-LJQANCHMSA-N -1 0 422.872 4.389 50 0 HIAARM Cc1nn2c([n-]1)nc(=O)c1c2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1 ZINC000102591382 560817492 /nfs/dbraw/zinc/81/74/92/560817492.db2.gz NXHQGWLNWGKKNE-FXAWDEMLSA-N -1 0 423.476 4.334 50 0 HIAARM Cc1cc(C)c(NC(=O)CSc2nc(=O)cc([O-])n2C2CCCC2)c(Cl)c1 ZINC000102836727 560829853 /nfs/dbraw/zinc/82/98/53/560829853.db2.gz XZYBJKULNWQWLT-UHFFFAOYSA-N -1 0 407.923 4.065 50 0 HIAARM Cc1cc(C)nc([N-]c2nc(CC(=O)Nc3nc(-c4ccco4)cs3)cs2)n1 ZINC000049029442 568445615 /nfs/dbraw/zinc/44/56/15/568445615.db2.gz QYWUEUSIFOLZAC-UHFFFAOYSA-N -1 0 412.500 4.191 50 0 HIAARM O=C(NCc1cccc(Cl)c1)c1c([O-])c2sccc2n(Cc2ccccc2)c1=O ZINC000049409608 568449657 /nfs/dbraw/zinc/44/96/57/568449657.db2.gz ZHYXPBLBSVYSPS-UHFFFAOYSA-N -1 0 424.909 4.400 50 0 HIAARM CC(C)CN(C)C(=O)c1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[n-]c1=O ZINC000216378611 568464908 /nfs/dbraw/zinc/46/49/08/568464908.db2.gz JQQXWGGUDVOLHH-UHFFFAOYSA-N -1 0 421.341 4.203 50 0 HIAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)CC)ccc2Cl)cc1 ZINC000022618651 568495683 /nfs/dbraw/zinc/49/56/83/568495683.db2.gz BRFCQQFBZFQPDG-CYBMUJFWSA-N -1 0 410.923 4.068 50 0 HIAARM C[Si](C)(C)c1c(Br)c2cc(F)c(C(=O)[O-])cc2nc1C(F)(F)F ZINC000219792666 568498553 /nfs/dbraw/zinc/49/85/53/568498553.db2.gz BUKHMYYQIBEODJ-UHFFFAOYSA-N -1 0 410.237 4.399 50 0 HIAARM C[Si](C)(C)c1c(F)ccc2c(Br)c(C(=O)[O-])c(C(F)(F)F)nc21 ZINC000219791822 568498591 /nfs/dbraw/zinc/49/85/91/568498591.db2.gz MZLFLDFCXHGABW-UHFFFAOYSA-N -1 0 410.237 4.399 50 0 HIAARM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N(C)Cc2ccccc2)cc1 ZINC000033253904 568512031 /nfs/dbraw/zinc/51/20/31/568512031.db2.gz FNLHQUNMAXZZQB-UHFFFAOYSA-N -1 0 410.495 4.130 50 0 HIAARM O=C([O-])c1ccc(-n2ncc3c2NC(=O)CS[C@H]3c2cccc(F)c2F)cc1 ZINC000095473878 568629176 /nfs/dbraw/zinc/62/91/76/568629176.db2.gz VBEALTGLHDOWAF-KRWDZBQOSA-N -1 0 401.394 4.273 50 0 HIAARM C[C@@H](c1ccncc1)N(C)C(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000095973905 568671978 /nfs/dbraw/zinc/67/19/78/568671978.db2.gz KGFDNQUIKMVEOM-VIFPVBQESA-N -1 0 414.097 4.145 50 0 HIAARM Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000095992032 568677805 /nfs/dbraw/zinc/67/78/05/568677805.db2.gz IDDSFJWFJMQDGC-HNNXBMFYSA-N -1 0 421.950 4.030 50 0 HIAARM O=S(=O)([N-]c1ccccc1CCc1nc2ccccc2[nH]1)c1cc(F)cc(F)c1 ZINC000021357296 568688279 /nfs/dbraw/zinc/68/82/79/568688279.db2.gz MRZXYHDIAWXBQM-UHFFFAOYSA-N -1 0 413.449 4.427 50 0 HIAARM CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccs4)[C@@H]3C2=O)cc1 ZINC000229885594 568715783 /nfs/dbraw/zinc/71/57/83/568715783.db2.gz ZPZGLGQNLNPWBX-PWRODBHTSA-N -1 0 420.490 4.198 50 0 HIAARM CCO[C@H]1C[C@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)[O-])C1(C)C ZINC000685939841 568722265 /nfs/dbraw/zinc/72/22/65/568722265.db2.gz BKLVLQIOXDIYTD-RDPSFJRHSA-N -1 0 409.482 4.184 50 0 HIAARM O=C([O-])COc1cccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC000685939858 568722327 /nfs/dbraw/zinc/72/23/27/568722327.db2.gz KWMVNYHFOMORRZ-UHFFFAOYSA-N -1 0 403.434 4.189 50 0 HIAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c1-c1nnc(C2CC2)o1 ZINC000096379629 568741265 /nfs/dbraw/zinc/74/12/65/568741265.db2.gz PLQAJBYIEWHVEA-UHFFFAOYSA-N -1 0 406.895 4.322 50 0 HIAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c1-c1nnc(C2CCC2)o1 ZINC000096379721 568741378 /nfs/dbraw/zinc/74/13/78/568741378.db2.gz UUCWJHLIICRXCA-UHFFFAOYSA-N -1 0 408.430 4.028 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2-c2nnc(C3CCC3)o2)c(C)c1 ZINC000096379729 568741388 /nfs/dbraw/zinc/74/13/88/568741388.db2.gz XNBJCFONEPQFPK-UHFFFAOYSA-N -1 0 416.503 4.067 50 0 HIAARM CCOc1cccc([C@@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[nH]c(=O)c32)c1 ZINC000086057197 568753795 /nfs/dbraw/zinc/75/37/95/568753795.db2.gz HZWXSOHKFKFVMD-SFHVURJKSA-N -1 0 421.522 4.243 50 0 HIAARM Cc1nc(-n2[n-]c(C)c(CC(=O)Nc3cccc(C(F)(F)F)c3)c2=O)sc1C ZINC000021802337 568754206 /nfs/dbraw/zinc/75/42/06/568754206.db2.gz IOAWAAHDAMJLLK-UHFFFAOYSA-N -1 0 410.421 4.160 50 0 HIAARM O=C([O-])[C@@H]1CC(c2ccc(NC(=O)c3ccc(F)cc3)cc2)=Nc2ccccc2N1 ZINC000334162857 568763903 /nfs/dbraw/zinc/76/39/03/568763903.db2.gz SOTPYKDLUXEHGM-NRFANRHFSA-N -1 0 403.413 4.468 50 0 HIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)N2CCC(C)CC2)c1 ZINC000002633672 568791592 /nfs/dbraw/zinc/79/15/92/568791592.db2.gz YLKMELSXGRLVRZ-UHFFFAOYSA-N -1 0 422.934 4.022 50 0 HIAARM CC[C@@H](C(=O)[O-])n1cnc2sc(C)c(-c3ccc(Br)cc3)c2c1=O ZINC000002887387 568814577 /nfs/dbraw/zinc/81/45/77/568814577.db2.gz YXUSALHHFJDNEU-LBPRGKRZSA-N -1 0 407.289 4.232 50 0 HIAARM Cc1occc1-c1nnc(SCc2nc(=O)c3sccc3[n-]2)n1-c1ccccc1 ZINC000012526510 568843206 /nfs/dbraw/zinc/84/32/06/568843206.db2.gz JUNQESCFBKAFIV-UHFFFAOYSA-N -1 0 421.507 4.426 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C[C@@H]3C=CCC3)ccc2Cl)cc1 ZINC000012536191 568845432 /nfs/dbraw/zinc/84/54/32/568845432.db2.gz AYBLKYKTRMNYFG-CQSZACIVSA-N -1 0 420.918 4.444 50 0 HIAARM O=C([O-])[C@H](CCO)Sc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 ZINC000012545490 568850261 /nfs/dbraw/zinc/85/02/61/568850261.db2.gz QQEXMTFIQYOFMV-HNNXBMFYSA-N -1 0 403.485 4.002 50 0 HIAARM COc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccs1 ZINC000003169046 568859135 /nfs/dbraw/zinc/85/91/35/568859135.db2.gz GMOIFARJPDPNKL-UHFFFAOYSA-N -1 0 412.496 4.244 50 0 HIAARM CCO[C@H]1c2c(c(NC(=O)[N-]S(=O)(=O)c3ccc(C)cc3)ccc2C)OC1(C)C ZINC000004105222 568909223 /nfs/dbraw/zinc/90/92/23/568909223.db2.gz NCOGQYBXXBZAQK-IBGZPJMESA-N -1 0 418.515 4.062 50 0 HIAARM COc1ccc(Cn2c(=O)c3ccc(C(=O)NC4CCCCC4)cc3[n-]c2=S)cc1 ZINC000003630341 568921037 /nfs/dbraw/zinc/92/10/37/568921037.db2.gz ZZJJOERHVLPRNF-UHFFFAOYSA-N -1 0 423.538 4.178 50 0 HIAARM O=C(Nc1ccc(F)cc1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1)c2=O ZINC000003630425 568921258 /nfs/dbraw/zinc/92/12/58/568921258.db2.gz KDSANYVBWGUBPQ-UHFFFAOYSA-N -1 0 405.454 4.499 50 0 HIAARM Cc1ccc(NC(=O)Cc2c3ccccc3n(C)c2C(=O)[O-])c(Br)c1 ZINC000003660264 568923380 /nfs/dbraw/zinc/92/33/80/568923380.db2.gz HHKGYKALFPVDBI-UHFFFAOYSA-N -1 0 401.260 4.129 50 0 HIAARM COC(=O)c1sccc1S(=O)(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000012746523 568932563 /nfs/dbraw/zinc/93/25/63/568932563.db2.gz UBKASJQNFDDJGL-CQSZACIVSA-N -1 0 401.509 4.241 50 0 HIAARM O=C(NCc1ccccc1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1)c2=O ZINC000003630007 568933523 /nfs/dbraw/zinc/93/35/23/568933523.db2.gz NIXAGPCSOSRSLA-UHFFFAOYSA-N -1 0 401.491 4.037 50 0 HIAARM COc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1COc1cc(C)c(Cl)c(C)c1 ZINC000004204815 568951539 /nfs/dbraw/zinc/95/15/39/568951539.db2.gz WNNKUHGYJPBLCS-LPHOPBHVSA-N -1 0 407.919 4.333 50 0 HIAARM Cc1csc2nc(-c3ccc([N-]S(=O)(=O)c4ccc(F)cc4F)cc3)cn12 ZINC000004249129 568953846 /nfs/dbraw/zinc/95/38/46/568953846.db2.gz UGGDLQPKZNCZSY-UHFFFAOYSA-N -1 0 405.451 4.450 50 0 HIAARM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3ccco3)CC(=O)O4)c2=O)cc1 ZINC000085876108 569009510 /nfs/dbraw/zinc/00/95/10/569009510.db2.gz AZNSTOXYKIDNRM-CQSZACIVSA-N -1 0 404.374 4.208 50 0 HIAARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1CCC(=O)N1CCCCCC1 ZINC000015858765 569015022 /nfs/dbraw/zinc/01/50/22/569015022.db2.gz SBPQYXJSDFESPQ-UHFFFAOYSA-N -1 0 410.543 4.345 50 0 HIAARM O=C([O-])c1cn(-c2cccc(Cl)c2)c2c1NC(=O)C[C@H]2c1ccc2c(c1)OCO2 ZINC000035325528 569032736 /nfs/dbraw/zinc/03/27/36/569032736.db2.gz RMSMNXCTABSEOB-AWEZNQCLSA-N -1 0 410.813 4.032 50 0 HIAARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1ccccc1OC ZINC000064670212 569079008 /nfs/dbraw/zinc/07/90/08/569079008.db2.gz ZTEUKVYJLWWINK-UHFFFAOYSA-N -1 0 404.513 4.327 50 0 HIAARM COc1ccc(Nc2ncccc2S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1OC ZINC000064757551 569091096 /nfs/dbraw/zinc/09/10/96/569091096.db2.gz QEALDAHMIUSZQA-UHFFFAOYSA-N -1 0 413.499 4.260 50 0 HIAARM Cc1nn(C)c(C)c1CCCN(C)c1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1 ZINC000064820622 569102691 /nfs/dbraw/zinc/10/26/91/569102691.db2.gz ZQDWXOJIELXXBZ-UHFFFAOYSA-N -1 0 420.513 4.056 50 0 HIAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2c(C)noc2C)ccc1OC ZINC000064837418 569104470 /nfs/dbraw/zinc/10/44/70/569104470.db2.gz CCIDQUNUYDLYQL-UHFFFAOYSA-N -1 0 402.472 4.167 50 0 HIAARM Cc1c(S(=O)(=O)[N-]c2cccnc2)cc(-c2nc(-c3ccccc3)cs2)n1C ZINC000065008654 569153312 /nfs/dbraw/zinc/15/33/12/569153312.db2.gz MOWRELVJGYYOKZ-UHFFFAOYSA-N -1 0 410.524 4.320 50 0 HIAARM Cc1nc2sc([C@@H](c3ccc(Br)cc3)N3CCC[C@H](C)C3)c([O-])n2n1 ZINC000036370263 569154140 /nfs/dbraw/zinc/15/41/40/569154140.db2.gz LARRQCYFTYEJDE-XHDPSFHLSA-N -1 0 421.364 4.389 50 0 HIAARM C[C@@H](NC(=O)c1c([O-])c2sccc2n(Cc2ccccc2)c1=O)c1ccc(F)cc1 ZINC000065215728 569197691 /nfs/dbraw/zinc/19/76/91/569197691.db2.gz JRAXLKMXXZVHBM-CQSZACIVSA-N -1 0 422.481 4.447 50 0 HIAARM COc1ccccc1-c1coc2c(c([O-])cc3c2[C@@H](c2ccncc2)CC(=O)O3)c1=O ZINC000524729722 569211846 /nfs/dbraw/zinc/21/18/46/569211846.db2.gz GQONJKGFWFTFAV-OAHLLOKOSA-N -1 0 415.401 4.010 50 0 HIAARM C/C(=C/C(=O)Nc1ccc(SCC(=O)Nc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC000013579252 569256465 /nfs/dbraw/zinc/25/64/65/569256465.db2.gz FPDWTOOFLWXNCW-XFXZXTDPSA-N -1 0 404.875 4.040 50 0 HIAARM Cc1c([N-]S(=O)(=O)c2ccc(C)cc2Br)[nH]nc1-c1ccccc1 ZINC000089611854 569261168 /nfs/dbraw/zinc/26/11/68/569261168.db2.gz VEQCKACQDNPGHG-UHFFFAOYSA-N -1 0 406.305 4.257 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3ccc(C)cc3C)cs2)cc1 ZINC000017051055 569272504 /nfs/dbraw/zinc/27/25/04/569272504.db2.gz NSCBSOOGNKDKJK-UHFFFAOYSA-N -1 0 415.540 4.050 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)c2ccccc2)s1 ZINC000017121690 569274980 /nfs/dbraw/zinc/27/49/80/569274980.db2.gz YHGKVANIXYPUOE-UHFFFAOYSA-N -1 0 412.536 4.450 50 0 HIAARM Cc1coc2cc3oc(=O)c(CCC(=O)N[C@H](C(=O)[O-])c4ccccc4)c(C)c3cc12 ZINC000002157249 569290395 /nfs/dbraw/zinc/29/03/95/569290395.db2.gz LTRQEJSASBIXOF-QFIPXVFZSA-N -1 0 419.433 4.031 50 0 biogenic HIAARM COC(=O)c1cncc([N-]S(=O)(=O)c2ccc3c(Cl)ccc(Cl)c3c2)c1 ZINC000170683608 569298562 /nfs/dbraw/zinc/29/85/62/569298562.db2.gz CWDDRRNGJFWFAB-UHFFFAOYSA-N -1 0 411.266 4.129 50 0 HIAARM CCOC(=O)c1c(-c2cccs2)csc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000007779733 569309290 /nfs/dbraw/zinc/30/92/90/569309290.db2.gz OVFNGQQOWPAJQD-RYUDHWBXSA-N -1 0 405.497 4.259 50 0 HIAARM Cc1ccc(-n2c(=O)c3c(nc2SCC(=O)[O-])sc2c3[C@@H](C)CCC2)cc1 ZINC000002278994 569327994 /nfs/dbraw/zinc/32/79/94/569327994.db2.gz QUKHKRZCPZTMMZ-LBPRGKRZSA-N -1 0 400.525 4.372 50 0 HIAARM C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@H]3C(=O)C[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@@]12C ZINC000011616481 569357038 /nfs/dbraw/zinc/35/70/38/569357038.db2.gz OHXPGWPVLFPUSM-ZYPOGSBGSA-N -1 0 402.531 4.073 50 0 HIAARM C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3C(=O)C[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@@]21C ZINC000043710731 569358248 /nfs/dbraw/zinc/35/82/48/569358248.db2.gz OHXPGWPVLFPUSM-ZPWZLZPXSA-N -1 0 402.531 4.073 50 0 in-vitro HIAARM COc1ccc([C@H](CC(=O)Nc2cccc(Cl)c2)c2c([O-])cc(C)oc2=O)cc1 ZINC000253471150 569381220 /nfs/dbraw/zinc/38/12/20/569381220.db2.gz MOBUNGBZODWSRU-SFHVURJKSA-N -1 0 413.857 4.477 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)NCC(C)C)cc3s2)cc1 ZINC000013349120 569411082 /nfs/dbraw/zinc/41/10/82/569411082.db2.gz YMFLZTZIPPDLTK-UHFFFAOYSA-N -1 0 418.544 4.183 50 0 HIAARM CCOc1ccccc1[N-]S(=O)(=O)c1c(C(=O)OC)sc2cccc(F)c21 ZINC000008604883 571091651 /nfs/dbraw/zinc/09/16/51/571091651.db2.gz MMXQSJITXXINOE-UHFFFAOYSA-N -1 0 409.460 4.027 50 0 HIAARM Cc1c(C(=O)[O-])sc2nc(CSc3ccccc3)nc(Nc3ccn(C)n3)c12 ZINC000008848219 571126061 /nfs/dbraw/zinc/12/60/61/571126061.db2.gz RJHXNZZSCBYHIN-UHFFFAOYSA-N -1 0 411.512 4.467 50 0 HIAARM Cc1csc(Sc2ccc(NS(=O)(=O)c3cccc(C(=O)[O-])c3)cc2)n1 ZINC000040146688 571196454 /nfs/dbraw/zinc/19/64/54/571196454.db2.gz NIXCZASDZMCETA-UHFFFAOYSA-N -1 0 406.510 4.102 50 0 HIAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)s2)c1 ZINC000009228238 571239473 /nfs/dbraw/zinc/23/94/73/571239473.db2.gz HAXMJWNMDHVUII-UHFFFAOYSA-N -1 0 408.501 4.310 50 0 HIAARM O=C([O-])c1cnn([C@H]2CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)c1 ZINC000328600765 571317345 /nfs/dbraw/zinc/31/73/45/571317345.db2.gz ZPSYNRLJRRDQCX-KRWDZBQOSA-N -1 0 417.465 4.167 50 0 HIAARM CCCC[C@@H](CC)COC(=O)[C@@H](CC(=O)OC[C@@H](CC)CCCC)S(=O)(=O)[O-] ZINC000100050351 574417230 /nfs/dbraw/zinc/41/72/30/574417230.db2.gz HNSDLXPSAYFUHK-RCCFBDPRSA-N -1 0 422.584 4.152 50 0 endogenous,world HIAARM COc1cc(Br)c(S(=O)(=O)[N-]c2cccc3ccccc32)cc1OC ZINC000014094485 845923805 /nfs/dbraw/zinc/92/38/05/845923805.db2.gz LCBSHDLZECIONH-UHFFFAOYSA-N -1 0 422.300 4.420 50 0 HIAARM O=C([O-])/C=C\c1ccc(NC(=O)CSc2nc(C3CC3)nc3ccccc32)cc1 ZINC000096937006 852558969 /nfs/dbraw/zinc/55/89/69/852558969.db2.gz FXBYKAOIWZQYJY-GHXNOFRVSA-N -1 0 405.479 4.336 50 0 HIAARM O=C([O-])CCOc1ccc(/C=C\c2nc3ccccc3c(=O)n2-c2ccccc2)cc1 ZINC000097112487 852584069 /nfs/dbraw/zinc/58/40/69/852584069.db2.gz OSIKQOQZCQAQSV-QINSGFPZSA-N -1 0 412.445 4.410 50 0 HIAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 ZINC000004811083 132289146 /nfs/dbraw/zinc/28/91/46/132289146.db2.gz DLWHFPQKKGBCSX-PMACEKPBSA-N -1 0 406.482 4.109 50 0 HIAARM COc1cc(OC)c([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4)c32)cc1OC ZINC000040312929 522833338 /nfs/dbraw/zinc/83/33/38/522833338.db2.gz XEDZQHSVPPIVKM-HNNXBMFYSA-N -1 0 422.437 4.325 50 0 HIAARM COc1cc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4)c32)cc(OC)c1OC ZINC000040309328 522961391 /nfs/dbraw/zinc/96/13/91/522961391.db2.gz HSEQWOAQJVPFSO-OAHLLOKOSA-N -1 0 422.437 4.325 50 0 HIAARM COc1ccc(-c2nc3c(s2)CN([C@@H](C(=O)[O-])c2c[nH]c4ccccc42)CC3)cc1 ZINC000031814699 523225880 /nfs/dbraw/zinc/22/58/80/523225880.db2.gz UNVZCMAWYOUCNS-OAQYLSRUSA-N -1 0 419.506 4.484 50 0 HIAARM COc1ccc(OC)c([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(F)c4)c32)c1 ZINC000044892605 524894194 /nfs/dbraw/zinc/89/41/94/524894194.db2.gz JQJQHAVRHKLVNZ-INIZCTEOSA-N -1 0 410.401 4.455 50 0 HIAARM COc1ccc(OC)c([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(F)c4)c32)c1 ZINC000044892608 524913725 /nfs/dbraw/zinc/91/37/25/524913725.db2.gz JQJQHAVRHKLVNZ-MRXNPFEDSA-N -1 0 410.401 4.455 50 0 HIAARM CSCC[C@H](NC(=O)c1sc(-c2c(Cl)cccc2Cl)nc1C)C(=O)[O-] ZINC000040266631 525592824 /nfs/dbraw/zinc/59/28/24/525592824.db2.gz KQJQYSCARHJNAH-NSHDSACASA-N -1 0 419.355 4.361 50 0 HIAARM Cc1sc(NC(=O)CC2(CC(=O)[O-])CCCC2)c(C(N)=O)c1-c1ccc(C)cc1 ZINC000017089985 526879323 /nfs/dbraw/zinc/87/93/23/526879323.db2.gz DAAGHXABNODHFJ-UHFFFAOYSA-N -1 0 414.527 4.495 50 0 HIAARM C[C@@H](CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccccc1 ZINC000000917543 557117836 /nfs/dbraw/zinc/11/78/36/557117836.db2.gz PVPUSOUNGYGKTG-AWEZNQCLSA-N -1 0 401.513 4.076 50 0 HIAARM O=S(=O)([N-]c1ccc(Oc2ncnc3cc(Cl)ccc32)nc1)c1cccs1 ZINC000001033958 557148773 /nfs/dbraw/zinc/14/87/73/557148773.db2.gz HNTVDIRMFQGDLL-UHFFFAOYSA-N -1 0 418.887 4.333 50 0 HIAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCCC3)ccc2Cl)cc1 ZINC000001079009 557175037 /nfs/dbraw/zinc/17/50/37/557175037.db2.gz KUGCAFWNYDWSBG-UHFFFAOYSA-N -1 0 406.935 4.465 50 0 HIAARM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccccc2)c(C)c1 ZINC000001131716 557198676 /nfs/dbraw/zinc/19/86/76/557198676.db2.gz BHUTULQSCZTCCR-UHFFFAOYSA-N -1 0 408.523 4.343 50 0 HIAARM COc1cc(C(=O)Nc2scc(-c3cccs3)c2C(=O)[O-])cc(OC)c1OC ZINC000002334630 557337990 /nfs/dbraw/zinc/33/79/90/557337990.db2.gz NLSAIKMIPFJGML-UHFFFAOYSA-N -1 0 419.480 4.453 50 0 HIAARM O=C([O-])C[C@@H](Cc1ccncc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002385878 557342811 /nfs/dbraw/zinc/34/28/11/557342811.db2.gz ZHEGVQVHZCLRTM-QGZVFWFLSA-N -1 0 402.450 4.006 50 0 HIAARM O=C([O-])C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(O)cc1 ZINC000002392126 557343649 /nfs/dbraw/zinc/34/36/49/557343649.db2.gz VJELJMCALKYCRN-JOCHJYFZSA-N -1 0 403.434 4.447 50 0 HIAARM Cc1ccc(OCC(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2)cc1C ZINC000002939775 557428794 /nfs/dbraw/zinc/42/87/94/557428794.db2.gz NHDQMXUPVDSPRZ-UHFFFAOYSA-N -1 0 418.449 4.271 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N(C)Cc2ccccc2)cc1 ZINC000002315504 557692467 /nfs/dbraw/zinc/69/24/67/557692467.db2.gz IPQZVANAPCPFOG-UHFFFAOYSA-N -1 0 418.522 4.375 50 0 HIAARM O=S(=O)([N-]c1cnn(Cc2cccc(C(F)(F)F)c2)c1)c1ccc(Cl)cc1 ZINC000002804699 557763612 /nfs/dbraw/zinc/76/36/12/557763612.db2.gz KLCYAKGRZPJPBD-UHFFFAOYSA-N -1 0 415.824 4.404 50 0 HIAARM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)N1CCc2ccccc2C1 ZINC000002970203 557775109 /nfs/dbraw/zinc/77/51/09/557775109.db2.gz YXQFNJGHPJVWGK-UHFFFAOYSA-N -1 0 407.539 4.204 50 0 HIAARM COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CC(=O)[O-])c1 ZINC000009196171 557827721 /nfs/dbraw/zinc/82/77/21/557827721.db2.gz CTNRDFOTOJCFMD-DEOSSOPVSA-N -1 0 412.445 4.473 50 0 HIAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2nc(-c3cnn(C)c3C)cc(C(F)(F)F)c12 ZINC000020604713 558386970 /nfs/dbraw/zinc/38/69/70/558386970.db2.gz FGCOFEIPNFNWSQ-UHFFFAOYSA-N -1 0 415.375 4.155 50 0 HIAARM Cc1ccc(-c2cc(C(=O)[O-])c3c(=O)[nH]c(=S)n(-c4cccc(C)c4)c3n2)cc1 ZINC000020605716 558387752 /nfs/dbraw/zinc/38/77/52/558387752.db2.gz HIOWJFLYTSIRGR-UHFFFAOYSA-N -1 0 403.463 4.051 50 0 HIAARM O=S(=O)([N-]c1cccc(F)c1)c1cc(Br)ccc1Br ZINC000012971872 558489203 /nfs/dbraw/zinc/48/92/03/558489203.db2.gz BVHBKCPFFFJWJD-UHFFFAOYSA-N -1 0 409.074 4.152 50 0 HIAARM Cc1c(-c2cc(C(=O)[O-])c3cc(Br)ccc3n2)nnn1-c1ccccc1 ZINC000004483138 558602817 /nfs/dbraw/zinc/60/28/17/558602817.db2.gz ALYCIDXLEWJVCQ-UHFFFAOYSA-N -1 0 409.243 4.252 50 0 HIAARM O=C(NC1CCCCCC1)C1(c2ccc([N-]S(=O)(=O)c3cccs3)cc2)CC1 ZINC000033115388 558761564 /nfs/dbraw/zinc/76/15/64/558761564.db2.gz FFSGIOISFIWPNM-UHFFFAOYSA-N -1 0 418.584 4.420 50 0 HIAARM O=S(=O)([N-]c1nc2ccccc2nc1NCc1ccco1)c1ccc(Cl)cc1 ZINC000016956607 558810066 /nfs/dbraw/zinc/81/00/66/558810066.db2.gz YYMKVZDPEVQRDY-UHFFFAOYSA-N -1 0 414.874 4.289 50 0 HIAARM COc1ccc(S(=O)(=O)[N-]c2nn(CC(C)C)c3nc4ccccc4cc23)cc1 ZINC000016956642 558810082 /nfs/dbraw/zinc/81/00/82/558810082.db2.gz UROVGIPNKYOBEO-UHFFFAOYSA-N -1 0 410.499 4.050 50 0 HIAARM O=C([O-])C(=O)Nc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC000038529089 558812132 /nfs/dbraw/zinc/81/21/32/558812132.db2.gz BJHUYQUJAABXQF-UHFFFAOYSA-N -1 0 402.406 4.071 50 0 HIAARM Cc1sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c(C(=O)NC2CCCCC2)c1C ZINC000017082914 558815357 /nfs/dbraw/zinc/81/53/57/558815357.db2.gz FWNTWITZXKBSSG-CVEARBPZSA-N -1 0 404.532 4.033 50 0 HIAARM Cc1sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c(C(=O)NC2CCCCC2)c1C ZINC000017082917 558815383 /nfs/dbraw/zinc/81/53/83/558815383.db2.gz FWNTWITZXKBSSG-JKSUJKDBSA-N -1 0 404.532 4.033 50 0 HIAARM CC[C@@H]1CCc2c(sc(NC(=O)CCCC(=O)[O-])c2C(=O)NC2CCCC2)C1 ZINC000017087445 558816321 /nfs/dbraw/zinc/81/63/21/558816321.db2.gz KNBYHLCXCIATSY-CYBMUJFWSA-N -1 0 406.548 4.129 50 0 HIAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCC2 ZINC000017088520 558817316 /nfs/dbraw/zinc/81/73/16/558817316.db2.gz JNFMVOLNNHVKSW-HUUCEWRRSA-N -1 0 410.495 4.095 50 0 HIAARM Cc1sc(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])c(C(=O)NC2CCCC2)c1C ZINC000017091511 558820081 /nfs/dbraw/zinc/82/00/81/558820081.db2.gz QXLUNPBXHJHJLW-IRXDYDNUSA-N -1 0 418.559 4.423 50 0 HIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=S)Nc3ccccc3Cl)cc2)no1 ZINC000017093356 558821845 /nfs/dbraw/zinc/82/18/45/558821845.db2.gz XWQWSTTXOPXMRG-UHFFFAOYSA-N -1 0 422.919 4.246 50 0 HIAARM CCCc1ccc(S(=O)(=O)Nc2ccc(N3CCC[C@@H](C)C3)cc2C(=O)[O-])cc1 ZINC000033007436 558828298 /nfs/dbraw/zinc/82/82/98/558828298.db2.gz ZZZONBFQKAPMGL-MRXNPFEDSA-N -1 0 416.543 4.374 50 0 HIAARM CCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)CCC1 ZINC000033128567 558882195 /nfs/dbraw/zinc/88/21/95/558882195.db2.gz LAXWOLBPHAEFOQ-UHFFFAOYSA-N -1 0 412.964 4.150 50 0 HIAARM O=C(NCCc1ccc(Cl)cc1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000004732569 559033256 /nfs/dbraw/zinc/03/32/56/559033256.db2.gz KIPNYIARJPCZJG-UHFFFAOYSA-N -1 0 420.943 4.175 50 0 HIAARM COC(=O)c1c(C)oc2cc(C)c([N-]S(=O)(=O)c3cccc4cccnc43)cc21 ZINC000004735760 559034720 /nfs/dbraw/zinc/03/47/20/559034720.db2.gz XGJWPPSXSCVEFD-UHFFFAOYSA-N -1 0 410.451 4.185 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(F)cc2F)cc1 ZINC000004742714 559044691 /nfs/dbraw/zinc/04/46/91/559044691.db2.gz JZDVIXAYXCENBZ-UHFFFAOYSA-N -1 0 402.422 4.326 50 0 HIAARM O=S(=O)([N-]c1ccc(F)cc1)c1ccccc1-c1nc(-c2cccc(F)c2)no1 ZINC000033307160 559051977 /nfs/dbraw/zinc/05/19/77/559051977.db2.gz NWORSXPYUSUERR-UHFFFAOYSA-N -1 0 413.405 4.483 50 0 HIAARM Cc1nn(-c2ccc(-c3ccccc3)nn2)c(C)c1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000033308059 559052235 /nfs/dbraw/zinc/05/22/35/559052235.db2.gz DZMWAXGIYAQAEP-UHFFFAOYSA-N -1 0 419.510 4.055 50 0 HIAARM O=C([O-])c1ccccc1NC(NC(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F ZINC000004785813 559063902 /nfs/dbraw/zinc/06/39/02/559063902.db2.gz SIZIZNHSDARVKO-UHFFFAOYSA-N -1 0 406.282 4.048 50 0 HIAARM CCOC(=O)c1ccc(NC(=O)c2c([O-])c3ccccc3n(CCC(C)C)c2=O)cc1 ZINC000100673521 559137616 /nfs/dbraw/zinc/13/76/16/559137616.db2.gz AKTOLFNNERLMAP-UHFFFAOYSA-N -1 0 422.481 4.182 50 0 HIAARM O=C([O-])CC12C[C@H]3C[C@@H](C1)CC(n1ncc(NC4CCCC4)c(Cl)c1=O)(C3)C2 ZINC000004927775 559208264 /nfs/dbraw/zinc/20/82/64/559208264.db2.gz HBRMHODSGCEDAA-ZXPDZVFASA-N -1 0 405.926 4.021 50 0 HIAARM O=C([O-])c1cccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2Cl)c1 ZINC000004976733 560622820 /nfs/dbraw/zinc/62/28/20/560622820.db2.gz GVXIGNTTYHDQII-LDADJPATSA-N -1 0 410.813 4.041 50 0 HIAARM Cc1ccc(Cc2c(C)nc3[n-]c(CNc4ccc(C)c(Cl)c4)nn3c2=O)cc1 ZINC000101803037 560802055 /nfs/dbraw/zinc/80/20/55/560802055.db2.gz QMNGYIWWSDNOEW-UHFFFAOYSA-N -1 0 407.905 4.199 50 0 HIAARM Cc1cccc(NCc2nn3c([n-]2)nc(C)c(Cc2ccc(Cl)cc2)c3=O)c1C ZINC000101803133 560802265 /nfs/dbraw/zinc/80/22/65/560802265.db2.gz WXZRHWQULSUKEG-UHFFFAOYSA-N -1 0 407.905 4.199 50 0 HIAARM Cc1nc2sc([C@@H](c3cccc(Br)c3)N3CCC[C@@H](C)C3)c([O-])n2n1 ZINC000102878970 560833552 /nfs/dbraw/zinc/83/35/52/560833552.db2.gz XYBPPAZJPNCVJB-IAQYHMDHSA-N -1 0 421.364 4.389 50 0 HIAARM Cc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccccc2)cc1Cl ZINC000102901429 560835008 /nfs/dbraw/zinc/83/50/08/560835008.db2.gz MTLQOTFLPXVVSG-GOSISDBHSA-N -1 0 408.845 4.081 50 0 HIAARM Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccncc4)[C@@H]3C2=O)cc1Cl ZINC000103561098 560843293 /nfs/dbraw/zinc/84/32/93/560843293.db2.gz ARLOYYNQWRYBCI-PWRODBHTSA-N -1 0 419.868 4.095 50 0 HIAARM CC(C)c1cccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000096361214 560848625 /nfs/dbraw/zinc/84/86/25/560848625.db2.gz RQACFPCYKFQOJG-UHFFFAOYSA-N -1 0 418.906 4.240 50 0 HIAARM Cc1ccc(-n2nc3c4cc(C(=O)NCc5ccccc5)ccc4[nH]cc-3c2=O)cc1 ZINC000101281903 560851635 /nfs/dbraw/zinc/85/16/35/560851635.db2.gz VEVAJXSZYHLUDD-UHFFFAOYSA-N -1 0 408.461 4.057 50 0 HIAARM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1c[nH]c(-c2nnc(-c3ccccc3)o2)c1 ZINC000046914318 560879146 /nfs/dbraw/zinc/87/91/46/560879146.db2.gz ZJSHFZODWBUVIV-UHFFFAOYSA-N -1 0 418.837 4.325 50 0 HIAARM Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cc(C)cc(Br)c2[O-])c(C)c1 ZINC000047815709 568431084 /nfs/dbraw/zinc/43/10/84/568431084.db2.gz SBQNTNWERNKTBS-UHFFFAOYSA-N -1 0 419.319 4.099 50 0 HIAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1F ZINC000000627288 568456114 /nfs/dbraw/zinc/45/61/14/568456114.db2.gz YKIQTSJVZSMPJZ-KGLIPLIRSA-N -1 0 402.397 4.047 50 0 HIAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1F ZINC000000627286 568456128 /nfs/dbraw/zinc/45/61/28/568456128.db2.gz YKIQTSJVZSMPJZ-ZIAGYGMSSA-N -1 0 402.397 4.047 50 0 HIAARM COc1ccc(S(=O)(=O)c2cc(NC(=O)c3ccccc3)c(C)c(C)c2[O-])cc1 ZINC000000719226 568465999 /nfs/dbraw/zinc/46/59/99/568465999.db2.gz WWRJDIVRUUDYEV-UHFFFAOYSA-N -1 0 411.479 4.103 50 0 HIAARM CCCc1ccc(S(=O)(=O)Nc2ccc(N3CCC[C@H](C)C3)cc2C(=O)[O-])cc1 ZINC000033007438 568510275 /nfs/dbraw/zinc/51/02/75/568510275.db2.gz ZZZONBFQKAPMGL-INIZCTEOSA-N -1 0 416.543 4.374 50 0 HIAARM Cc1cc([N-]S(=O)(=O)c2ccc(Nc3nc(-c4cccnc4)cs3)cc2)no1 ZINC000000841142 568610726 /nfs/dbraw/zinc/61/07/26/568610726.db2.gz BNDOKYSEWQBFRN-UHFFFAOYSA-N -1 0 413.484 4.046 50 0 HIAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)s2)cc1Cl ZINC000020978320 568654349 /nfs/dbraw/zinc/65/43/49/568654349.db2.gz BRFITBWSNKSAFW-UHFFFAOYSA-N -1 0 414.892 4.183 50 0 HIAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(-c3cnc(C4CC4)o3)ccc2C)c1 ZINC000021034075 568659551 /nfs/dbraw/zinc/65/95/51/568659551.db2.gz VCEKZFGUSLHHSU-UHFFFAOYSA-N -1 0 414.483 4.345 50 0 HIAARM COc1c(Cl)cc(Cl)cc1/C=C1/SC(=S)N(CCCC(=O)[O-])C1=O ZINC000096291644 568671758 /nfs/dbraw/zinc/67/17/58/568671758.db2.gz VLLIVPVWNVSSSI-IZZDOVSWSA-N -1 0 406.312 4.068 50 0 HIAARM Cn1c2ccccc2nc1CCc1ccccc1[N-]S(=O)(=O)c1ccccc1F ZINC000021357132 568688439 /nfs/dbraw/zinc/68/84/39/568688439.db2.gz WZHXVOHVMNDIIL-UHFFFAOYSA-N -1 0 409.486 4.298 50 0 HIAARM COC(=O)C[C@H]1c2cccnc2Oc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c21 ZINC000096221519 568705086 /nfs/dbraw/zinc/70/50/86/568705086.db2.gz MPIKOVFPIHOETH-HNNXBMFYSA-N -1 0 415.401 4.361 50 0 HIAARM CCc1c([N-]S(=O)(=O)c2cccc(C(=O)c3ccccc3)c2)onc1C(F)(F)F ZINC000240569402 568730221 /nfs/dbraw/zinc/73/02/21/568730221.db2.gz HAKHLYUFWSIXQQ-UHFFFAOYSA-N -1 0 424.400 4.288 50 0 HIAARM CSc1ccccc1[N-]S(=O)(=O)c1c(C)[nH]c(C)c1-c1nnc(C2CC2)o1 ZINC000096379676 568741374 /nfs/dbraw/zinc/74/13/74/568741374.db2.gz OJVDQJCEIJUWCZ-UHFFFAOYSA-N -1 0 404.517 4.082 50 0 HIAARM Fc1cccc(Cl)c1Cn1ccc([N-]c2nnc(Cn3cc(Cl)cn3)s2)n1 ZINC000002730631 568804646 /nfs/dbraw/zinc/80/46/46/568804646.db2.gz BWDTXQSEOKHUJR-UHFFFAOYSA-N -1 0 424.292 4.217 50 0 HIAARM O=C(CCCCn1c(=O)c2sccc2[n-]c1=S)NCc1cccc(Cl)c1 ZINC000002925468 568817416 /nfs/dbraw/zinc/81/74/16/568817416.db2.gz YKANNGMOEGFODS-UHFFFAOYSA-N -1 0 407.948 4.261 50 0 HIAARM C[C@@H]1CCc2c(sc3c2c(=O)n(-c2ccc(Cl)cc2)c2nnc([S-])n32)C1 ZINC000006007679 568835150 /nfs/dbraw/zinc/83/51/50/568835150.db2.gz KSIFIYGGIMWOFW-SECBINFHSA-N -1 0 402.932 4.162 50 0 HIAARM Cn1c2ccc(S(=O)(=O)[N-]c3ccccc3Sc3ccccc3)cc2oc1=O ZINC000012521015 568841539 /nfs/dbraw/zinc/84/15/39/568841539.db2.gz CNYWJXWIKLZRPV-UHFFFAOYSA-N -1 0 412.492 4.084 50 0 HIAARM O=C(NC1CC1)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000012526414 568843314 /nfs/dbraw/zinc/84/33/14/568843314.db2.gz BOPQJHNGABAFPI-UHFFFAOYSA-N -1 0 418.824 4.052 50 0 HIAARM CCCn1c(=O)c2ccc(C(=O)N3CC=C(c4ccccc4)CC3)cc2[n-]c1=S ZINC000003043731 568848224 /nfs/dbraw/zinc/84/82/24/568848224.db2.gz FTKXVRWNVCGELS-UHFFFAOYSA-N -1 0 405.523 4.399 50 0 HIAARM CCc1ccc(Nc2nnc(SCC(=O)Nc3ccc(C(=O)[O-])cc3)s2)cc1 ZINC000003448081 568859820 /nfs/dbraw/zinc/85/98/20/568859820.db2.gz PTSQVRJLMJREPI-UHFFFAOYSA-N -1 0 414.512 4.273 50 0 HIAARM Cc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3C[C@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000227725745 568866158 /nfs/dbraw/zinc/86/61/58/568866158.db2.gz MDPYDADVMBZYRK-DEYYWGMASA-N -1 0 400.548 4.127 50 0 HIAARM CCOC(=O)[C@H]1CCCN(c2nc(-c3csc4ccccc34)ccc2C(=O)[O-])C1 ZINC000299772320 568874381 /nfs/dbraw/zinc/87/43/81/568874381.db2.gz YIAFRVPYQOWPOG-AWEZNQCLSA-N -1 0 410.495 4.441 50 0 HIAARM COc1ccccc1-n1c(SCc2cccc(C(=O)[O-])c2)nnc1N1CCCCC1 ZINC000012633275 568883754 /nfs/dbraw/zinc/88/37/54/568883754.db2.gz IBXKPLPYKYOPSN-UHFFFAOYSA-N -1 0 424.526 4.257 50 0 HIAARM Cc1cccc(Nc2nnc(SCC(=O)Nc3ccc(C(=O)[O-])cc3)s2)c1 ZINC000003372440 568890955 /nfs/dbraw/zinc/89/09/55/568890955.db2.gz LFEVDFNYMWKMJP-UHFFFAOYSA-N -1 0 400.485 4.019 50 0 HIAARM COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000263619145 568912196 /nfs/dbraw/zinc/91/21/96/568912196.db2.gz XEKLAVXADNUEIZ-UHFFFAOYSA-N -1 0 409.435 4.281 50 0 HIAARM O=S(=O)([N-]c1ccccc1-c1nnc2n1CCCCC2)c1ccc(Cl)cc1 ZINC000012744500 568930870 /nfs/dbraw/zinc/93/08/70/568930870.db2.gz KRZBLHPZSHNPKL-UHFFFAOYSA-N -1 0 402.907 4.126 50 0 HIAARM Cc1sc2nc(CN3CCCC3)nc([N-]S(=O)(=O)c3ccc(C)cc3)c2c1C ZINC000008185125 568980291 /nfs/dbraw/zinc/98/02/91/568980291.db2.gz UZAZRJFISMGCHB-UHFFFAOYSA-N -1 0 416.572 4.013 50 0 HIAARM Cc1ccc2nc([N-]S(=O)(=O)c3ccc4c(c3)NC(=O)C[C@H](C)S4)sc2c1 ZINC000015730502 568981121 /nfs/dbraw/zinc/98/11/21/568981121.db2.gz KVXODTCNPIVTGC-NSHDSACASA-N -1 0 419.553 4.228 50 0 HIAARM Cc1cccc(C(=O)[O-])c1NC(=O)CSc1nnc(NC2CCCCC2)s1 ZINC000012813856 568987860 /nfs/dbraw/zinc/98/78/60/568987860.db2.gz CJTVEUHYVQDLJL-UHFFFAOYSA-N -1 0 406.533 4.020 50 0 HIAARM O=C(Nc1ccc(F)cc1F)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006146994 569014645 /nfs/dbraw/zinc/01/46/45/569014645.db2.gz PWRATOWBVYQTCE-UHFFFAOYSA-N -1 0 406.385 4.157 50 0 HIAARM COc1cc(/C=C2/C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C)ccc1OCC(C)C ZINC000000995451 569028899 /nfs/dbraw/zinc/02/88/99/569028899.db2.gz OPEBOSNZESWIPC-YBFXNURJSA-N -1 0 408.454 4.234 50 0 HIAARM O=C([O-])c1cn(-c2cccc(Cl)c2)c2c1NC(=O)C[C@@H]2c1ccc2c(c1)OCO2 ZINC000035325534 569032764 /nfs/dbraw/zinc/03/27/64/569032764.db2.gz RMSMNXCTABSEOB-CQSZACIVSA-N -1 0 410.813 4.032 50 0 HIAARM CC[C@H](C)OC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CCCC2 ZINC000000695932 569032893 /nfs/dbraw/zinc/03/28/93/569032893.db2.gz MHYQCSCLIFEYPT-BFHYXJOUSA-N -1 0 405.516 4.188 50 0 HIAARM CCCN(CCC)c1ncc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1C(=O)[O-] ZINC000035397384 569034852 /nfs/dbraw/zinc/03/48/52/569034852.db2.gz OCFJSBCBIGSCGK-UHFFFAOYSA-N -1 0 419.547 4.330 50 0 HIAARM COc1ccc([C@@H]2O[C@@H](C(=O)[O-])[C@H](c3ccccc3)N2C(=O)c2ccccc2)cc1 ZINC000071251016 569039337 /nfs/dbraw/zinc/03/93/37/569039337.db2.gz RDVJYGYJBUIIOE-XJUOHMSHSA-N -1 0 403.434 4.061 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CCCC4)n3)cs2)cc1 ZINC000035557348 569044748 /nfs/dbraw/zinc/04/47/48/569044748.db2.gz DRUGTUUSESMRHH-UHFFFAOYSA-N -1 0 405.501 4.265 50 0 HIAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000006404303 569046477 /nfs/dbraw/zinc/04/64/77/569046477.db2.gz WVDCHGCGSPYTKZ-HUUCEWRRSA-N -1 0 404.507 4.053 50 0 HIAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)N(C)Cc1ccccc1 ZINC000006404298 569046492 /nfs/dbraw/zinc/04/64/92/569046492.db2.gz GTPJOSUZXBUUFD-UHFFFAOYSA-N -1 0 412.486 4.207 50 0 HIAARM CC(C)CN1C(=O)/C(=C/c2cccc(OCC(=O)[O-])c2)SC1=Nc1ccccc1 ZINC000252631858 569060870 /nfs/dbraw/zinc/06/08/70/569060870.db2.gz VNIPCYGKZHHDAD-OCFWRVAFSA-N -1 0 410.495 4.410 50 0 HIAARM COc1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000064557805 569066855 /nfs/dbraw/zinc/06/68/55/569066855.db2.gz NYZXOSRXVRWXOQ-FQEVSTJZSA-N -1 0 421.474 4.027 50 0 HIAARM CCCCN(CC)c1ncc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1C(=O)[O-] ZINC000064843346 569107169 /nfs/dbraw/zinc/10/71/69/569107169.db2.gz KXSHZONHTZVEJS-UHFFFAOYSA-N -1 0 419.547 4.132 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)s2)cc1Cl ZINC000064920306 569121192 /nfs/dbraw/zinc/12/11/92/569121192.db2.gz MWDGXLVVMLUUSH-UHFFFAOYSA-N -1 0 411.892 4.138 50 0 HIAARM C[C@@H]1C[C@H](C)C[N@H+]([C@@H](C(=O)[O-])c2cn(Cc3ccccc3)c3cc(C(=O)[O-])ccc23)C1 ZINC000036354826 569148101 /nfs/dbraw/zinc/14/81/01/569148101.db2.gz UKBAPZSOPYWEPF-SAHWJRBASA-N -1 0 420.509 4.491 50 0 HIAARM O=S(=O)([N-]c1ccccc1)c1cc(-c2nc(-c3cccc(F)c3)no2)cs1 ZINC000065098136 569177053 /nfs/dbraw/zinc/17/70/53/569177053.db2.gz QEXFHLYRGSPOHT-UHFFFAOYSA-N -1 0 401.444 4.405 50 0 HIAARM Cc1c(-c2nnc(C3CCC3)o2)n(C)c(C)c1S(=O)(=O)[N-]c1ccccc1C ZINC000065186567 569192165 /nfs/dbraw/zinc/19/21/65/569192165.db2.gz DLURZVAMYRBEMZ-UHFFFAOYSA-N -1 0 400.504 4.069 50 0 HIAARM Cc1c2c(cc(=O)n1CCc1c[nH]c3ccc(F)cc13)[n-]n(-c1ccc(F)cc1)c2=O ZINC000036575839 569200994 /nfs/dbraw/zinc/20/09/94/569200994.db2.gz WQCUEJDNHFOCIJ-UHFFFAOYSA-N -1 0 420.419 4.155 50 0 HIAARM COc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc1COc1ccc(Cl)cc1Cl ZINC000036623603 569212719 /nfs/dbraw/zinc/21/27/19/569212719.db2.gz IFOUOVWGPDUSPC-RHSMWYFYSA-N -1 0 414.310 4.369 50 0 HIAARM Cc1cccc(C(=O)N2CCCC2)c1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000036833184 569229960 /nfs/dbraw/zinc/22/99/60/569229960.db2.gz SGOYDRRZVQPECC-UHFFFAOYSA-N -1 0 400.544 4.329 50 0 HIAARM C/C(=C/C(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc(C)cc2C)cc1)C(=O)[O-] ZINC000037019003 569235221 /nfs/dbraw/zinc/23/52/21/569235221.db2.gz WSBJNPNVMNRTRT-IRVMHKCDSA-N -1 0 412.511 4.392 50 0 HIAARM Cc1cc2occ(CC(=O)N[C@@H](Cc3c[nH]c4cc(F)ccc34)C(=O)[O-])c2cc1C ZINC000170592145 569240983 /nfs/dbraw/zinc/24/09/83/569240983.db2.gz BVRFQJXFCPZFCH-FQEVSTJZSA-N -1 0 408.429 4.025 50 0 HIAARM CCCCOC(=O)c1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)[C@H](C)C4)cc1 ZINC000170624672 569249549 /nfs/dbraw/zinc/24/95/49/569249549.db2.gz ZCFLPQPXKLXLIC-CQSZACIVSA-N -1 0 420.465 4.033 50 0 HIAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCCC(=O)[O-])occ3-c1ccccc1 ZINC000002098724 569281135 /nfs/dbraw/zinc/28/11/35/569281135.db2.gz AWXVKFULPAVVLR-UHFFFAOYSA-N -1 0 419.433 4.038 50 0 biogenic HIAARM O=C([O-])c1cn(-c2cccc(C(F)(F)F)c2)c2c1NC(=O)C[C@@H]2c1cccc(O)c1 ZINC000066087909 569314397 /nfs/dbraw/zinc/31/43/97/569314397.db2.gz NFLYGUKXVUWFFX-OAHLLOKOSA-N -1 0 416.355 4.374 50 0 HIAARM CCc1cccc([C@H](C)CC)c1NC(=O)C(=O)c1c(C)[n-]n(-c2ccccc2)c1=O ZINC000198727084 569359626 /nfs/dbraw/zinc/35/96/26/569359626.db2.gz GCIGFHFLHNHJEA-QRWLVFNGSA-N -1 0 405.498 4.309 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCc2ccc(F)cc2)cc1 ZINC000002416011 569397400 /nfs/dbraw/zinc/39/74/00/569397400.db2.gz QTYVTUHMSZLQJQ-UHFFFAOYSA-N -1 0 422.485 4.490 50 0 HIAARM Cc1ccc(CNC(=O)c2nnc(/C(Cl)=C/c3ccc(C(=O)[O-])cc3)s2)cc1 ZINC000012933374 569405029 /nfs/dbraw/zinc/40/50/29/569405029.db2.gz DPOZOCOMNSJVIE-YBEGLDIGSA-N -1 0 413.886 4.212 50 0 HIAARM CC[C@H](C)NC(=O)Nc1ccc2sc([N-]S(=O)(=O)c3ccccc3)nc2c1 ZINC000013361428 569411876 /nfs/dbraw/zinc/41/18/76/569411876.db2.gz YPTJPQQWRRZFLJ-LBPRGKRZSA-N -1 0 404.517 4.017 50 0 HIAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)c(C)c1 ZINC000079061381 569426237 /nfs/dbraw/zinc/42/62/37/569426237.db2.gz YPDQCLQJERSWOK-UHFFFAOYSA-N -1 0 407.797 4.255 50 0 HIAARM O=C(Cn1ccc2ccc(OCc3ccccc3)cc21)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000238882151 571046467 /nfs/dbraw/zinc/04/64/67/571046467.db2.gz CNBFDPYIZNMYEZ-XGAFWQRZSA-N -1 0 420.509 4.228 50 0 HIAARM Cc1cc([N-]S(=O)(=O)c2c(F)cc(F)cc2Br)c2ccccc2n1 ZINC000009491421 571262765 /nfs/dbraw/zinc/26/27/65/571262765.db2.gz GBIQMEKQNSJEKR-UHFFFAOYSA-N -1 0 413.243 4.385 50 0 HIAARM O=C(NCc1ccco1)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000009641327 571275855 /nfs/dbraw/zinc/27/58/55/571275855.db2.gz WNYHZEZYXLYOSL-UHFFFAOYSA-N -1 0 424.400 4.029 50 0 HIAARM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(OC)c(Cl)c1 ZINC000009646346 571276435 /nfs/dbraw/zinc/27/64/35/571276435.db2.gz IWNXJUJVIGIWBV-UHFFFAOYSA-N -1 0 411.888 4.151 50 0 HIAARM Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)c(C)n1C ZINC000009685087 571279712 /nfs/dbraw/zinc/27/97/12/571279712.db2.gz JFOGKBLTVFOLNN-UHFFFAOYSA-N -1 0 417.575 4.192 50 0 HIAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3c(C)cccc3CC)s2)on1 ZINC000009688899 571280190 /nfs/dbraw/zinc/28/01/90/571280190.db2.gz FEJNYGRDKFPMBC-UHFFFAOYSA-N -1 0 420.512 4.251 50 0 HIAARM Cc1ccccc1NC(=O)Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000009828521 571286821 /nfs/dbraw/zinc/28/68/21/571286821.db2.gz IVJVSBVRVHLBSM-UHFFFAOYSA-N -1 0 421.931 4.087 50 0 HIAARM Cc1nn(-c2ccc(F)cc2)c2[n-]cc(C(=O)Nc3ccc(C)c(Cl)c3)c(=O)c12 ZINC000010166794 571295757 /nfs/dbraw/zinc/29/57/57/571295757.db2.gz VHGYLPPUFVWACF-UHFFFAOYSA-N -1 0 410.836 4.375 50 0 HIAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(-c2cn3cccc(C)c3n2)cc1 ZINC000010274182 571299077 /nfs/dbraw/zinc/29/90/77/571299077.db2.gz AALVTKZTZAYAPD-UHFFFAOYSA-N -1 0 407.495 4.428 50 0 HIAARM O=C([O-])[C@H](CC(=O)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002583166 571315694 /nfs/dbraw/zinc/31/56/94/571315694.db2.gz FQGZKXZGIKDCQL-QFIPXVFZSA-N -1 0 415.445 4.251 50 0 HIAARM CCCCOC(=O)c1ccc(NC(=O)c2c([O-])c3ccccc3n(CCC)c2=O)cc1 ZINC000005736894 845139102 /nfs/dbraw/zinc/13/91/02/845139102.db2.gz QRUAVRKZFOVDSV-UHFFFAOYSA-N -1 0 422.481 4.326 50 0 HIAARM O=C([O-])[C@H]1CS[C@H](c2ccc(COc3ccc(Br)cc3Cl)o2)N1 ZINC000020606334 846385051 /nfs/dbraw/zinc/38/50/51/846385051.db2.gz XMFFZWRLXCIXGS-BXUZGUMPSA-N -1 0 418.696 4.063 50 0 HIAARM CC(C)CCOc1ccc(/C=C2/CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc1 ZINC000033645242 848138087 /nfs/dbraw/zinc/13/80/87/848138087.db2.gz QTOBZGFDXQCHKC-LGMDPLHJSA-N -1 0 404.466 4.464 50 0 HIAARM Cc1ccccc1N1CCN(c2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])cc2)CC1 ZINC000000627152 132229152 /nfs/dbraw/zinc/22/91/52/132229152.db2.gz PFFYSLOMCJTWPH-FCHUYYIVSA-N -1 0 421.541 4.151 50 0 HIAARM Cc1ccccc1N1CCN(c2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])cc2)CC1 ZINC000000627154 132229401 /nfs/dbraw/zinc/22/94/01/132229401.db2.gz PFFYSLOMCJTWPH-FGZHOGPDSA-N -1 0 421.541 4.151 50 0 HIAARM COc1cc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4)c32)cc(OC)c1O ZINC000040310174 522926772 /nfs/dbraw/zinc/92/67/72/522926772.db2.gz MMXUPCUNBNZGJX-AWEZNQCLSA-N -1 0 408.410 4.022 50 0 HIAARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@H](c2cc(OC)ccc2OC)CC(=O)N3)cc1 ZINC000040309019 523326238 /nfs/dbraw/zinc/32/62/38/523326238.db2.gz WWKUHYQZAARATM-KRWDZBQOSA-N -1 0 422.437 4.325 50 0 HIAARM COc1cccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(F)c4)c32)c1OC ZINC000044890021 524114351 /nfs/dbraw/zinc/11/43/51/524114351.db2.gz DXCPBYNQUAUPNX-HNNXBMFYSA-N -1 0 410.401 4.455 50 0 HIAARM Cc1cccc(NC(=O)c2c3c(sc2NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])CCC3)c1 ZINC000017094005 524657529 /nfs/dbraw/zinc/65/75/29/524657529.db2.gz DAKDRZPZWWASAW-JKSUJKDBSA-N -1 0 424.522 4.403 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1OC1CCCC1 ZINC000032098584 524692803 /nfs/dbraw/zinc/69/28/03/524692803.db2.gz ZKRXZOUENCGUQJ-UHFFFAOYSA-N -1 0 401.406 4.235 50 0 HIAARM C[C@@H](NC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1cccc(F)c1 ZINC000032779879 525136627 /nfs/dbraw/zinc/13/66/27/525136627.db2.gz LXEKNMCHOLZJAA-CQSZACIVSA-N -1 0 418.515 4.108 50 0 HIAARM Cc1ccc(Oc2cccc([N-]S(=O)(=O)c3ccccc3C(F)(F)F)c2)nn1 ZINC000044213756 525475914 /nfs/dbraw/zinc/47/59/14/525475914.db2.gz ORIYYFRTJZYKDV-UHFFFAOYSA-N -1 0 409.389 4.397 50 0 HIAARM Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCCCCC3)c(C(=O)[O-])c2)cc1 ZINC000032962171 525605082 /nfs/dbraw/zinc/60/50/82/525605082.db2.gz RNDHJSHHODMPPQ-UHFFFAOYSA-N -1 0 402.516 4.265 50 0 HIAARM Cc1ccc(C(=O)[O-])cc1N1C(=O)c2cccc3cc(Br)cc(c32)C1=O ZINC000000970568 526234783 /nfs/dbraw/zinc/23/47/83/526234783.db2.gz GYAJCQFGNGJZMC-UHFFFAOYSA-N -1 0 410.223 4.410 50 0 HIAARM O=C([O-])c1ccc(N2CCN(c3ccccc3F)CC2)c(NC(=O)c2ccccc2)c1 ZINC000032947005 526373725 /nfs/dbraw/zinc/37/37/25/526373725.db2.gz NULHWQMRMSBBMF-UHFFFAOYSA-N -1 0 419.456 4.103 50 0 HIAARM O=C([O-])c1cn(-c2cccc(C(F)(F)F)c2)c2c1NC(=O)C[C@H]2c1cccnc1 ZINC000044919502 526401302 /nfs/dbraw/zinc/40/13/02/526401302.db2.gz QCZIGANRISXPJE-AWEZNQCLSA-N -1 0 401.344 4.063 50 0 HIAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCC3)ccc2Cl)cc1C ZINC000000640362 557032332 /nfs/dbraw/zinc/03/23/32/557032332.db2.gz GABYSTARTIZKSK-UHFFFAOYSA-N -1 0 406.935 4.384 50 0 HIAARM COc1cc(C(=O)Nc2scc(-c3ccccc3)c2C(=O)[O-])cc(OC)c1OC ZINC000000798288 557083559 /nfs/dbraw/zinc/08/35/59/557083559.db2.gz HPISDCRKAZJMAF-UHFFFAOYSA-N -1 0 413.451 4.391 50 0 HIAARM COc1ccc([C@@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000001041515 557153765 /nfs/dbraw/zinc/15/37/65/557153765.db2.gz HXLVJBPGOYRQLH-FGZHOGPDSA-N -1 0 405.425 4.400 50 0 HIAARM O=S(=O)([N-]c1ncccc1OCc1cc(F)cc(F)c1)c1cccc(Cl)c1 ZINC000001043448 557154950 /nfs/dbraw/zinc/15/49/50/557154950.db2.gz HUHLNVUMVVRJFA-UHFFFAOYSA-N -1 0 410.829 4.393 50 0 HIAARM COc1ccc(NC(=O)CCCCCn2c(=O)c3sccc3[n-]c2=S)cc1 ZINC000002925351 557180787 /nfs/dbraw/zinc/18/07/87/557180787.db2.gz XZIPDOJITSTDKY-UHFFFAOYSA-N -1 0 403.529 4.328 50 0 HIAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1C ZINC000001128577 557196910 /nfs/dbraw/zinc/19/69/10/557196910.db2.gz MJVULFZOYLSYDB-QGZVFWFLSA-N -1 0 424.522 4.295 50 0 HIAARM Cc1ccc(C(=O)Oc2ccc(C([O-])=CS(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000001312281 557254916 /nfs/dbraw/zinc/25/49/16/557254916.db2.gz VSSLDVIPJITAOV-UHFFFAOYSA-N -1 0 408.475 4.179 50 0 HIAARM CC[C@H](C)Oc1ccc(-c2nnc(CCC(=O)NCC3CCCCC3)c(=O)[n-]2)cc1 ZINC000034763698 557461158 /nfs/dbraw/zinc/46/11/58/557461158.db2.gz HVODKKBFJTZOQL-INIZCTEOSA-N -1 0 412.534 4.051 50 0 HIAARM COC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CC[C@H](c1ccccc1)C2 ZINC000003864261 557501556 /nfs/dbraw/zinc/50/15/56/557501556.db2.gz HSYPMXNKYQOIDA-AWEZNQCLSA-N -1 0 401.484 4.001 50 0 HIAARM CNC(=O)c1cccc2cccc([S@@](=O)c3cccc4cccc(C(=O)[O-])c43)c21 ZINC000004300972 557537745 /nfs/dbraw/zinc/53/77/45/557537745.db2.gz YRFJHQAKNNMTDM-LJAQVGFWSA-N -1 0 403.459 4.218 50 0 HIAARM CCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)CC(C)(C)CC(=O)[O-])s1 ZINC000004334502 557543018 /nfs/dbraw/zinc/54/30/18/557543018.db2.gz UWKJEJHBPGRKIT-UHFFFAOYSA-N -1 0 403.500 4.380 50 0 HIAARM COc1cc(NC(=O)C[C@H](CC(=O)[O-])c2ccc(C(F)(F)F)cc2)cc(OC)c1 ZINC000004371614 557548000 /nfs/dbraw/zinc/54/80/00/557548000.db2.gz VBBMWXBSHDCFLE-CYBMUJFWSA-N -1 0 411.376 4.310 50 0 HIAARM C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000004550940 557566139 /nfs/dbraw/zinc/56/61/39/557566139.db2.gz LKTNIURLAUPMBC-OAHLLOKOSA-N -1 0 404.422 4.043 50 0 HIAARM CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000004614256 557572482 /nfs/dbraw/zinc/57/24/82/557572482.db2.gz GZMWRCRHFBWVNU-MCIONIFRSA-N -1 0 420.575 4.218 50 0 HIAARM O=C([O-])c1ccc(Cl)c(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000004680403 557580639 /nfs/dbraw/zinc/58/06/39/557580639.db2.gz JRXLKANAWNQMGJ-UHFFFAOYSA-N -1 0 403.674 4.472 50 0 HIAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(NC(=O)C2CCCCC2)c(Cl)c1 ZINC000004810048 557600175 /nfs/dbraw/zinc/60/01/75/557600175.db2.gz MHZIAIITEAPSAO-HZPDHXFCSA-N -1 0 404.894 4.464 50 0 HIAARM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2cccnc2)ccc1Cl ZINC000006139032 557690046 /nfs/dbraw/zinc/69/00/46/557690046.db2.gz CDXLPXBVPYXNNK-UHFFFAOYSA-N -1 0 401.875 4.097 50 0 HIAARM Cc1cc(C)n(Cc2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)n1 ZINC000002731150 557754296 /nfs/dbraw/zinc/75/42/96/557754296.db2.gz FPLBNWJKZYKSLX-UHFFFAOYSA-N -1 0 417.901 4.181 50 0 HIAARM O=S(=O)([N-]c1cnn(Cc2cccc(F)c2)c1)c1cc(Cl)ccc1Cl ZINC000002804504 557763556 /nfs/dbraw/zinc/76/35/56/557763556.db2.gz HPLXMVFWXZNHBD-UHFFFAOYSA-N -1 0 400.262 4.178 50 0 HIAARM COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000008445000 557790157 /nfs/dbraw/zinc/79/01/57/557790157.db2.gz CPOHMIYNVZTGNN-UONOGXRCSA-N -1 0 419.886 4.461 50 0 HIAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Oc2ccc3c(c2)OCO3)cc1 ZINC000012371404 558389630 /nfs/dbraw/zinc/38/96/30/558389630.db2.gz RYHDWRRJCIRGKC-UHFFFAOYSA-N -1 0 417.414 4.156 50 0 HIAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3c(s2)-c2ccccc2OC3)c1 ZINC000024152860 558590821 /nfs/dbraw/zinc/59/08/21/558590821.db2.gz KHECWQUFIDUXAB-UHFFFAOYSA-N -1 0 415.492 4.059 50 0 HIAARM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000024983816 558624538 /nfs/dbraw/zinc/62/45/38/558624538.db2.gz OJRJOMYFRKBYRT-UHFFFAOYSA-N -1 0 421.931 4.011 50 0 HIAARM Cc1cc(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)c(Cl)c(C)c1Cl ZINC000014632528 558662441 /nfs/dbraw/zinc/66/24/41/558662441.db2.gz LZCWRXZVVFDWTF-RYUDHWBXSA-N -1 0 404.290 4.452 50 0 HIAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2sc(-c3ccc(F)cc3)nc2C)c1 ZINC000028813574 558704979 /nfs/dbraw/zinc/70/49/79/558704979.db2.gz VFCFTHOKDKIJIW-UHFFFAOYSA-N -1 0 420.487 4.009 50 0 HIAARM Cc1cc([N-]C(NC(=O)c2cccc(Cl)c2)(C(F)(F)F)C(F)(F)F)no1 ZINC000003103648 558750015 /nfs/dbraw/zinc/75/00/15/558750015.db2.gz JCFMHRCOAGYNPW-UHFFFAOYSA-N -1 0 401.694 4.299 50 0 HIAARM Cc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)c(=O)[n-]2)c1C ZINC000016045959 558770392 /nfs/dbraw/zinc/77/03/92/558770392.db2.gz GMJCVDKJPNIIII-UHFFFAOYSA-N -1 0 400.891 4.245 50 0 HIAARM C[C@@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CCCC2 ZINC000017087447 558816303 /nfs/dbraw/zinc/81/63/03/558816303.db2.gz YTOBBFUMUHJGQN-CYBMUJFWSA-N -1 0 406.548 4.129 50 0 HIAARM O=C([O-])CCCC(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CCCCC2 ZINC000017087432 558816318 /nfs/dbraw/zinc/81/63/18/558816318.db2.gz PPDGLIXSWZXKLD-UHFFFAOYSA-N -1 0 406.548 4.273 50 0 HIAARM CCc1c(C)sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1C(=O)NC1CCCC1 ZINC000017087434 558816336 /nfs/dbraw/zinc/81/63/36/558816336.db2.gz WDWNMLBIUGAYOR-HOTGVXAUSA-N -1 0 406.548 4.121 50 0 HIAARM CCc1sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c(C(=O)OC)c1-c1ccccc1 ZINC000017089574 558818181 /nfs/dbraw/zinc/81/81/81/558818181.db2.gz AZXXACRFODKSTR-HUUCEWRRSA-N -1 0 413.495 4.370 50 0 HIAARM CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCCC(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000017092412 558820959 /nfs/dbraw/zinc/82/09/59/558820959.db2.gz ACIPZJZGQDFYJN-CYBMUJFWSA-N -1 0 420.575 4.375 50 0 HIAARM CN(C(=O)C(=C([O-])c1cc(Cl)ccc1Cl)n1ccccc1=O)C1CCCCC1 ZINC000004682122 558894931 /nfs/dbraw/zinc/89/49/31/558894931.db2.gz QHRTWCDQYWWJQN-LJQANCHMSA-N -1 0 421.324 4.370 50 0 HIAARM Cc1nc(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4s3)c(Cl)c2)cn1C ZINC000033169027 558898875 /nfs/dbraw/zinc/89/88/75/558898875.db2.gz SQXQOONSCGTNEE-UHFFFAOYSA-N -1 0 418.931 4.459 50 0 HIAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)o1 ZINC000033263925 558969188 /nfs/dbraw/zinc/96/91/88/558969188.db2.gz WDBYUWHGXDVZNC-UHFFFAOYSA-N -1 0 402.350 4.153 50 0 HIAARM CCOc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC000004732583 559033243 /nfs/dbraw/zinc/03/32/43/559033243.db2.gz VKMQOWHCFMGGIE-UHFFFAOYSA-N -1 0 402.497 4.200 50 0 HIAARM COc1cc(Cl)c([N-]S(=O)(=O)c2cc(-c3cc(C)no3)cs2)c(OC)c1 ZINC000033290258 559047149 /nfs/dbraw/zinc/04/71/49/559047149.db2.gz IURQVOHVUUDAKO-UHFFFAOYSA-N -1 0 414.892 4.183 50 0 HIAARM O=S(=O)([N-]c1cccc(F)c1)c1ccccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000033307116 559051922 /nfs/dbraw/zinc/05/19/22/559051922.db2.gz PUSODRFGBYCLHR-UHFFFAOYSA-N -1 0 413.405 4.483 50 0 HIAARM COc1ccc(-c2nc3c(nc(-c4cccc(OC)c4OC)cc3C(=O)[O-])[nH]2)cc1 ZINC000011694743 559188322 /nfs/dbraw/zinc/18/83/22/559188322.db2.gz LFTRZZQRLAEWDH-UHFFFAOYSA-N -1 0 405.410 4.016 50 0 HIAARM C[C@@H]1C[C@H](C)[C@@H]2N(C1)c1ccccc1C[C@@]21C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000033429110 559190802 /nfs/dbraw/zinc/19/08/02/559190802.db2.gz ICFQVZKELAHHIM-ONKLLMOWSA-N -1 0 403.482 4.203 50 0 HIAARM O=C([N-]n1c(=O)c2ccccc2nc1-c1ccc(Cl)cc1)c1cccnc1Cl ZINC000005199230 559292471 /nfs/dbraw/zinc/29/24/71/559292471.db2.gz BXALYWDAWJMLPH-UHFFFAOYSA-N -1 0 411.248 4.149 50 0 HIAARM CCC(Nc1cccc(C(F)(F)F)c1)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000005625235 560633699 /nfs/dbraw/zinc/63/36/99/560633699.db2.gz GEIBYRLAAGVKBC-WUKNDPDISA-N -1 0 417.387 4.060 50 0 HIAARM O=S(=O)([N-]c1nc2ccccc2nc1N1CCCC1)c1cc(Cl)ccc1Cl ZINC000017251780 560705105 /nfs/dbraw/zinc/70/51/05/560705105.db2.gz NHFQZPQPLXCMDH-UHFFFAOYSA-N -1 0 423.325 4.338 50 0 HIAARM O=C(Nc1ccc(Cl)cc1)c1c([O-])c2cccnc2n(-c2cccc(F)c2)c1=O ZINC000101722316 560798808 /nfs/dbraw/zinc/79/88/08/560798808.db2.gz LXFAIQCLBRLJDB-UHFFFAOYSA-N -1 0 409.804 4.136 50 0 HIAARM O=C(Nc1ccc(Cl)cc1)c1c([O-])c2cccnc2n(Cc2ccccc2)c1=O ZINC000101722811 560799024 /nfs/dbraw/zinc/79/90/24/560799024.db2.gz VNQOTIJGSZEROS-UHFFFAOYSA-N -1 0 405.841 4.056 50 0 HIAARM Cc1cc(C)cc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2cccc(Cl)c2)c1 ZINC000101835548 560803326 /nfs/dbraw/zinc/80/33/26/560803326.db2.gz LRLOVBAUWNCGTK-IBGZPJMESA-N -1 0 422.872 4.389 50 0 HIAARM O=C([O-])C1(CC(=O)Nc2cccc(I)c2)CCCCCC1 ZINC000013253996 560804290 /nfs/dbraw/zinc/80/42/90/560804290.db2.gz LKIOTMRMDMHQPR-UHFFFAOYSA-N -1 0 401.244 4.045 50 0 HIAARM Cc1c2c(cc(=O)n1Cc1ccc(Cl)cc1)[n-]n(-c1ccc(Cl)cc1)c2=O ZINC000051152487 560828401 /nfs/dbraw/zinc/82/84/01/560828401.db2.gz WNDXVXWRVZOMBY-UHFFFAOYSA-N -1 0 400.265 4.144 50 0 HIAARM Cc1ccc([C@@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccccc4Cl)cnn32)cc1 ZINC000102820872 560829543 /nfs/dbraw/zinc/82/95/43/560829543.db2.gz YAANTQFIRFAWGY-SFHVURJKSA-N -1 0 408.845 4.081 50 0 HIAARM CCc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccccc2Cl)cc1 ZINC000102901331 560834917 /nfs/dbraw/zinc/83/49/17/560834917.db2.gz YUGMHELSJUMWDB-IBGZPJMESA-N -1 0 422.872 4.335 50 0 HIAARM Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccncc4)[C@H]3C2=O)cc1Cl ZINC000103561104 560843227 /nfs/dbraw/zinc/84/32/27/560843227.db2.gz ARLOYYNQWRYBCI-NJDAHSKKSA-N -1 0 419.868 4.095 50 0 HIAARM COc1ccc(F)cc1[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000309999347 560861705 /nfs/dbraw/zinc/86/17/05/560861705.db2.gz DEUPXRICVATOPH-JOCHJYFZSA-N -1 0 421.424 4.499 50 0 HIAARM CCCn1nc(C)cc1CN(C)c1ccc(NC(=O)c2cccs2)cc1C(=O)[O-] ZINC000046053640 568425371 /nfs/dbraw/zinc/42/53/71/568425371.db2.gz BGKVKUDZDOWFJC-UHFFFAOYSA-N -1 0 412.515 4.250 50 0 HIAARM C[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)c1ccccc1Br ZINC000047931920 568431575 /nfs/dbraw/zinc/43/15/75/568431575.db2.gz NCIPMCGGPOVXSA-SECBINFHSA-N -1 0 404.289 4.251 50 0 HIAARM COc1ccc(Nc2[n-]n3c(nc(C)cc3=O)c2NC(=O)c2ccc(C)cc2)cc1 ZINC000112579830 568443418 /nfs/dbraw/zinc/44/34/18/568443418.db2.gz JSOBSVBHKMKUSV-UHFFFAOYSA-N -1 0 403.442 4.056 50 0 HIAARM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4c[nH]cn4)cc3Cl)sc2c1 ZINC000033169074 568511604 /nfs/dbraw/zinc/51/16/04/568511604.db2.gz AKGQEQOYIWUUIJ-UHFFFAOYSA-N -1 0 420.903 4.149 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3cnc(C)o3)ccc2OC)cc1Cl ZINC000021033272 568659499 /nfs/dbraw/zinc/65/94/99/568659499.db2.gz OKPLAUURXDFFPF-UHFFFAOYSA-N -1 0 408.863 4.121 50 0 HIAARM CCc1ccc([C@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)CCCC(=O)[O-])cc1 ZINC000095945321 568663242 /nfs/dbraw/zinc/66/32/42/568663242.db2.gz BUMNBERQPJJYHE-OAQYLSRUSA-N -1 0 424.497 4.199 50 0 HIAARM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000095970195 568671258 /nfs/dbraw/zinc/67/12/58/568671258.db2.gz RVGXJFIOFUPWHH-IBGZPJMESA-N -1 0 404.447 4.381 50 0 HIAARM Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000095992031 568677752 /nfs/dbraw/zinc/67/77/52/568677752.db2.gz IDDSFJWFJMQDGC-OAHLLOKOSA-N -1 0 421.950 4.030 50 0 HIAARM CC[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1n[n-]c2ccccc2c1=O ZINC000096012092 568684553 /nfs/dbraw/zinc/68/45/53/568684553.db2.gz HNFMOAHEGAJUFB-SFHVURJKSA-N -1 0 416.525 4.285 50 0 HIAARM CCO[C@H]1C[C@@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)[O-])C1(C)C ZINC000685939839 568722191 /nfs/dbraw/zinc/72/21/91/568722191.db2.gz BKLVLQIOXDIYTD-GBXCKJPGSA-N -1 0 409.482 4.184 50 0 HIAARM O=C([O-])[C@@H]1C[C@@H]2CC(=O)CC[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000238789996 568726616 /nfs/dbraw/zinc/72/66/16/568726616.db2.gz AYHUVPFAIXSTEV-SYJLOODJSA-N -1 0 419.477 4.080 50 0 HIAARM Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)[N-]c1cccc(Br)c1 ZINC000096322231 568729954 /nfs/dbraw/zinc/72/99/54/568729954.db2.gz PYZKOYGQAGUZRL-UHFFFAOYSA-N -1 0 424.295 4.192 50 0 HIAARM COc1cc(OC)c([N-]S(=O)(=O)c2cc(-c3ccno3)sc2C)cc1Cl ZINC000096323583 568732204 /nfs/dbraw/zinc/73/22/04/568732204.db2.gz POYURWRPSFGEIB-UHFFFAOYSA-N -1 0 414.892 4.183 50 0 HIAARM CCOc1cccc([C@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[nH]c(=O)c32)c1 ZINC000086057201 568753829 /nfs/dbraw/zinc/75/38/29/568753829.db2.gz HZWXSOHKFKFVMD-GOSISDBHSA-N -1 0 421.522 4.243 50 0 HIAARM Cc1nc2sc3c(c2c([N-]S(=O)(=O)c2ccc(Br)cc2)n1)CCC3 ZINC000002659888 568798727 /nfs/dbraw/zinc/79/87/27/568798727.db2.gz QARSBAOXGBXJTQ-UHFFFAOYSA-N -1 0 424.345 4.052 50 0 HIAARM COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4C)[C@@H]3C2=O)cc1 ZINC000230038747 568803351 /nfs/dbraw/zinc/80/33/51/568803351.db2.gz FSJBFYBIIHAIFO-YTFSRNRJSA-N -1 0 414.461 4.055 50 0 HIAARM Cc1nn(CCc2nnc([N-]c3ccn(Cc4ccccc4)n3)s2)c(C)c1Cl ZINC000002730132 568804097 /nfs/dbraw/zinc/80/40/97/568804097.db2.gz TYDJIYGVOQCACR-UHFFFAOYSA-N -1 0 413.938 4.236 50 0 HIAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C(F)(F)F)c(C(F)(F)F)c1)C(=O)[O-] ZINC000257355088 568817895 /nfs/dbraw/zinc/81/78/95/568817895.db2.gz LLRXWQAYIGATCH-NSHDSACASA-N -1 0 401.303 4.245 50 0 HIAARM O=C(CCCCCn1c(=O)c2sccc2[n-]c1=S)NCc1ccccc1F ZINC000002932240 568818316 /nfs/dbraw/zinc/81/83/16/568818316.db2.gz GAPKCJZOCMIQHR-UHFFFAOYSA-N -1 0 405.520 4.136 50 0 HIAARM CCOCCCn1c(=O)c2ccc(C(=O)NCCC3=CCCCC3)cc2[n-]c1=S ZINC000002972219 568832130 /nfs/dbraw/zinc/83/21/30/568832130.db2.gz ZOUIMQRZVJFMCL-UHFFFAOYSA-N -1 0 415.559 4.106 50 0 HIAARM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 ZINC000012507941 568839899 /nfs/dbraw/zinc/83/98/99/568839899.db2.gz YWYMDTAEFALEGQ-MRXNPFEDSA-N -1 0 422.506 4.181 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)C2CCC(C)CC2)c1 ZINC000012536126 568845483 /nfs/dbraw/zinc/84/54/83/568845483.db2.gz YXWUQWGLFMVUBJ-UHFFFAOYSA-N -1 0 416.543 4.147 50 0 HIAARM COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000012548603 568851711 /nfs/dbraw/zinc/85/17/11/568851711.db2.gz TZTRNJSSCYPWMO-QGZVFWFLSA-N -1 0 424.522 4.295 50 0 HIAARM O=C([O-])c1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)OC2(CCCCC2)CC4=O)cc1 ZINC000218054043 568924956 /nfs/dbraw/zinc/92/49/56/568924956.db2.gz PQWAQHQYODVGAB-KRWDZBQOSA-N -1 0 406.434 4.494 50 0 HIAARM O=c1[nH]c2ccccc2nc1-c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000004270525 568956778 /nfs/dbraw/zinc/95/67/78/568956778.db2.gz VQNGVKCEQKFSHF-UHFFFAOYSA-N -1 0 411.870 4.044 50 0 HIAARM CCCCc1c(C)[n-]n(-c2nc(C)c(C(=O)Nc3ccc(C(C)=O)cc3)s2)c1=O ZINC000015671479 568962103 /nfs/dbraw/zinc/96/21/03/568962103.db2.gz GRNQXYDKJCGMPJ-UHFFFAOYSA-N -1 0 412.515 4.449 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)c4ccccn4)cc3s2)cc1 ZINC000015729301 568979601 /nfs/dbraw/zinc/97/96/01/568979601.db2.gz MSGAETQHBQSUEM-UHFFFAOYSA-N -1 0 424.507 4.053 50 0 HIAARM Cc1cc(NC(=O)N2CCc3ccccc3[C@@H]2CC(=O)[O-])ccc1Br ZINC000015782096 569002917 /nfs/dbraw/zinc/00/29/17/569002917.db2.gz MZUPKAWHXOSKTC-KRWDZBQOSA-N -1 0 403.276 4.364 50 0 HIAARM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1 ZINC000085664773 569006704 /nfs/dbraw/zinc/00/67/04/569006704.db2.gz LCFPWMMBMNDLHD-UHFFFAOYSA-N -1 0 405.398 4.405 50 0 HIAARM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCC4)nn3)cc2)s1 ZINC000015882156 569019055 /nfs/dbraw/zinc/01/90/55/569019055.db2.gz WNXSFBARDQXENB-UHFFFAOYSA-N -1 0 414.556 4.169 50 0 HIAARM COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(C)cc1 ZINC000006214985 569033262 /nfs/dbraw/zinc/03/32/62/569033262.db2.gz NDDPVTRXVJYTHC-CVEARBPZSA-N -1 0 413.495 4.424 50 0 HIAARM Cc1ccc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC[C@H](C)C2)c1 ZINC000064580630 569068567 /nfs/dbraw/zinc/06/85/67/569068567.db2.gz XJCMKPSFIJGYOS-HNNXBMFYSA-N -1 0 402.516 4.039 50 0 HIAARM CCCn1nc(C)cc1CN(C)c1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1C ZINC000064820508 569102652 /nfs/dbraw/zinc/10/26/52/569102652.db2.gz KGOVTAOGZGGWFP-UHFFFAOYSA-N -1 0 420.513 4.497 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3c(C)noc3C)ccc2C)c(OC)c1 ZINC000064837449 569104611 /nfs/dbraw/zinc/10/46/11/569104611.db2.gz HOSBGAMPZNSORD-UHFFFAOYSA-N -1 0 402.472 4.085 50 0 HIAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(-c3c(C)noc3C)ccc2C)c1 ZINC000064837527 569104620 /nfs/dbraw/zinc/10/46/20/569104620.db2.gz GHWWKETZXMWTAP-UHFFFAOYSA-N -1 0 402.472 4.085 50 0 HIAARM Cc1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(Br)c(C)c3)o2)c1C ZINC000064958569 569135281 /nfs/dbraw/zinc/13/52/81/569135281.db2.gz NDKUNIXVKMSQJS-UHFFFAOYSA-N -1 0 411.277 4.423 50 0 HIAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)s2)c1 ZINC000065004043 569152355 /nfs/dbraw/zinc/15/23/55/569152355.db2.gz WENUJNGOVLDDCY-UHFFFAOYSA-N -1 0 418.496 4.258 50 0 HIAARM COc1ccc(Cl)cc1NC(=O)c1c(=O)[nH]c2sc3c(c2c1[O-])CCCCC3 ZINC000065150556 569184965 /nfs/dbraw/zinc/18/49/65/569184965.db2.gz RCDRAEMADARNDI-UHFFFAOYSA-N -1 0 418.902 4.478 50 0 HIAARM CSc1ccccc1[N-]S(=O)(=O)c1c(C)n(C)c(C)c1-c1nnc(C2CC2)o1 ZINC000065194185 569192712 /nfs/dbraw/zinc/19/27/12/569192712.db2.gz SDPPRVPPOABXHQ-UHFFFAOYSA-N -1 0 418.544 4.092 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCC4)o3)o2)cc1Cl ZINC000065246394 569205579 /nfs/dbraw/zinc/20/55/79/569205579.db2.gz KNPLSCBMWDKODL-UHFFFAOYSA-N -1 0 409.851 4.060 50 0 HIAARM Cc1cccc(-n2c3nc(-c4cccs4)cc(C(=O)[O-])c3c(=O)[nH]c2=S)c1C ZINC000036617256 569208009 /nfs/dbraw/zinc/20/80/09/569208009.db2.gz FDGBSCADJUYARB-UHFFFAOYSA-N -1 0 409.492 4.487 50 0 HIAARM CCOC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1cc(C)ccc1OC ZINC000007428356 569238430 /nfs/dbraw/zinc/23/84/30/569238430.db2.gz IWENOKFKLYLPPF-UHFFFAOYSA-N -1 0 405.497 4.196 50 0 HIAARM COc1ccc(-c2cccc([N-]S(=O)(=O)c3cccc(Cl)c3Cl)c2)nn1 ZINC000007428062 569238486 /nfs/dbraw/zinc/23/84/86/569238486.db2.gz HZODQTLIAGFZBN-UHFFFAOYSA-N -1 0 410.282 4.260 50 0 HIAARM O=S(=O)([N-]c1ccnn1Cc1ccc(F)cc1)c1ccc(F)c(C(F)(F)F)c1 ZINC000170609211 569244892 /nfs/dbraw/zinc/24/48/92/569244892.db2.gz ULLFSRWHTUHGCG-UHFFFAOYSA-N -1 0 417.359 4.029 50 0 HIAARM CCc1ccc([C@@H]2CC(c3cc(OC)cc(OC)c3)=NN2C(=O)CCCC(=O)[O-])cc1 ZINC000170615688 569247313 /nfs/dbraw/zinc/24/73/13/569247313.db2.gz JYHCUIDSDRKXSZ-QFIPXVFZSA-N -1 0 424.497 4.199 50 0 HIAARM CC(=O)Nc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000010060242 569253108 /nfs/dbraw/zinc/25/31/08/569253108.db2.gz WSPFRKUTFCYIRZ-UHFFFAOYSA-N -1 0 423.494 4.007 50 0 HIAARM CCN1C(=O)S/C(=C\c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C1=O ZINC000004550611 569255463 /nfs/dbraw/zinc/25/54/63/569255463.db2.gz LSVSKIATQCOFDP-WQRHYEAKSA-N -1 0 413.451 4.029 50 0 HIAARM C[C@H](Sc1ccc(NC(=O)CCC(=O)[O-])cc1)C(=O)Nc1cnc2ccccc2c1 ZINC000013578964 569256362 /nfs/dbraw/zinc/25/63/62/569256362.db2.gz QYXGIIVCARGTNH-AWEZNQCLSA-N -1 0 423.494 4.157 50 0 HIAARM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)C(C)(C)C)CC2 ZINC000013696524 569257122 /nfs/dbraw/zinc/25/71/22/569257122.db2.gz BWJBMDBIGKSZEQ-UHFFFAOYSA-N -1 0 416.543 4.130 50 0 HIAARM O=C(C1CCCC1)N1CCc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc21 ZINC000013696293 569257186 /nfs/dbraw/zinc/25/71/86/569257186.db2.gz GHKFEFXSDNDNRO-UHFFFAOYSA-N -1 0 404.919 4.220 50 0 HIAARM O=C([O-])[C@@H](CCOc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000226811505 569279511 /nfs/dbraw/zinc/27/95/11/569279511.db2.gz DFSBFNQOGULCOD-HSZRJFAPSA-N -1 0 417.461 4.447 50 0 HIAARM CCCC[C@@H](NC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002104975 569282196 /nfs/dbraw/zinc/28/21/96/569282196.db2.gz BZYDWZWOLXHLDP-GOSISDBHSA-N -1 0 413.470 4.157 50 0 biogenic HIAARM COc1ccccc1C(=O)[N-]C(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013075725 569408710 /nfs/dbraw/zinc/40/87/10/569408710.db2.gz HIPYWOSJGKPEFN-UHFFFAOYSA-N -1 0 421.293 4.068 50 0 HIAARM CC[C@H](c1nnc(S[C@@H](C(=O)[O-])c2ccccc2)n1Cc1ccccc1)N(C)C ZINC000008748067 571111477 /nfs/dbraw/zinc/11/14/77/571111477.db2.gz JCWMCGPBKCOIPT-RTBURBONSA-N -1 0 410.543 4.257 50 0 HIAARM Cc1cc2c(nc3s/c(=C/c4ccc(-c5cccc(C(=O)[O-])c5)o4)c(=O)n32)c(C)c1 ZINC000008816682 571121407 /nfs/dbraw/zinc/12/14/07/571121407.db2.gz PIOCCSAKADOZFV-YBFXNURJSA-N -1 0 416.458 4.032 50 0 HIAARM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CCC(C)C)s1 ZINC000008840944 571123923 /nfs/dbraw/zinc/12/39/23/571123923.db2.gz KWRVOVHZZHBURZ-UHFFFAOYSA-N -1 0 406.573 4.437 50 0 HIAARM CCOC(=O)c1oc2cc([O-])c(CC)cc2c(=O)c1-c1nnc(-c2ccccc2)s1 ZINC000008861636 571128667 /nfs/dbraw/zinc/12/86/67/571128667.db2.gz HVTGQLGNHYPCTA-UHFFFAOYSA-N -1 0 422.462 4.423 50 0 HIAARM CCN1c2ccccc2Oc2ccc([N-]S(=O)(=O)c3ccccc3F)cc2C1=O ZINC000008961105 571189469 /nfs/dbraw/zinc/18/94/69/571189469.db2.gz LMDQOVLMQOFLDF-UHFFFAOYSA-N -1 0 412.442 4.399 50 0 HIAARM CCn1nc([N-]S(=O)(=O)c2ccc(Cl)cc2)c2cc3cccc(C)c3nc21 ZINC000008969621 571194395 /nfs/dbraw/zinc/19/43/95/571194395.db2.gz RSVGAXWHGRFYJV-UHFFFAOYSA-N -1 0 400.891 4.367 50 0 HIAARM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)ccc1C ZINC000009191894 571235593 /nfs/dbraw/zinc/23/55/93/571235593.db2.gz VCTCCKNUGCTDEL-UHFFFAOYSA-N -1 0 410.495 4.338 50 0 HIAARM COc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2csnn2)cc1Cl ZINC000009250849 571242232 /nfs/dbraw/zinc/24/22/32/571242232.db2.gz YVZQSAQESLLTTN-UHFFFAOYSA-N -1 0 413.842 4.430 50 0 HIAARM O=C([O-])CCCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(Br)cc1 ZINC000009432076 571258482 /nfs/dbraw/zinc/25/84/82/571258482.db2.gz ZNDUYPIQQVKZMC-HNNXBMFYSA-N -1 0 421.316 4.443 50 0 HIAARM COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000009645788 571276314 /nfs/dbraw/zinc/27/63/14/571276314.db2.gz HEYIQIFCGPICDO-UHFFFAOYSA-N -1 0 403.481 4.011 50 0 HIAARM Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c(C)n1C ZINC000009685037 571279704 /nfs/dbraw/zinc/27/97/04/571279704.db2.gz PZJOTFGJPNWVOZ-UHFFFAOYSA-N -1 0 423.966 4.031 50 0 HIAARM O=C([O-])c1ccccc1NC(=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000002905644 845009554 /nfs/dbraw/zinc/00/95/54/845009554.db2.gz XSYVLYCQZMFYRE-UHFFFAOYSA-N -1 0 415.854 4.123 50 0 HIAARM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 ZINC000013059719 845903358 /nfs/dbraw/zinc/90/33/58/845903358.db2.gz NSVFTKVVXWPCQM-UHFFFAOYSA-N -1 0 410.476 4.462 50 0 HIAARM O=c1oc2ccccc2c(Oc2c([O-])c3ccccc3oc2=O)c1Br ZINC000022014720 846520200 /nfs/dbraw/zinc/52/02/00/846520200.db2.gz JUKAGQDJMXOAJU-UHFFFAOYSA-N -1 0 401.168 4.160 50 0 HIAARM O=C([O-])/C=C\c1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000033581492 848138273 /nfs/dbraw/zinc/13/82/73/848138273.db2.gz DXHLHYJGBKBCGK-NVNXTCNLSA-N -1 0 409.463 4.164 50 0 HIAARM COc1cc(/C=C2/CCc3cc(OC(C)(C)C(=O)[O-])ccc3C2=O)ccc1OCC#N ZINC000084139914 852544697 /nfs/dbraw/zinc/54/46/97/852544697.db2.gz TXGDRDCUMMBUGY-ATVHPVEESA-N -1 0 421.449 4.052 50 0 HIAARM CCC(Nc1cccc(C(F)(F)F)c1)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000009087152 132335546 /nfs/dbraw/zinc/33/55/46/132335546.db2.gz VPWNVEMFOCFIDS-WUKNDPDISA-N -1 0 417.387 4.373 50 0 HIAARM CCN(CC)c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1C(=O)[O-] ZINC000032962205 520920946 /nfs/dbraw/zinc/92/09/46/520920946.db2.gz PTXUMCPRMOHBJT-UHFFFAOYSA-N -1 0 417.314 4.339 50 0 HIAARM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NCCc2ccccc2)c(C)c1 ZINC000001128503 524326832 /nfs/dbraw/zinc/32/68/32/524326832.db2.gz KXUBQGKWQPODBG-UHFFFAOYSA-N -1 0 422.550 4.385 50 0 HIAARM Cc1ccc(C)c(-c2csc(NC(=O)CC3(CC(=O)[O-])CCCC3)c2C(N)=O)c1 ZINC000017089973 526256321 /nfs/dbraw/zinc/25/63/21/526256321.db2.gz VQUYNEQPBQYTDJ-UHFFFAOYSA-N -1 0 414.527 4.495 50 0 HIAARM O=C([O-])[C@H](Cc1ccccc1Cl)S[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000020219893 526307111 /nfs/dbraw/zinc/30/71/11/526307111.db2.gz RTEUITFUJNGHCD-CVEARBPZSA-N -1 0 424.305 4.054 50 0 HIAARM O=c1[n-]c(=S)n(-c2cccc(F)c2)c2c1CN(Cc1ccccc1Cl)CN2 ZINC000019874656 527437188 /nfs/dbraw/zinc/43/71/88/527437188.db2.gz BRUVXDLOYPBXIB-UHFFFAOYSA-N -1 0 402.882 4.073 50 0 HIAARM O=C([O-])[C@H](Cc1ccc(F)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000000621942 557019470 /nfs/dbraw/zinc/01/94/70/557019470.db2.gz IXUMACXMEZBPJG-QFIPXVFZSA-N -1 0 405.425 4.360 50 0 HIAARM CC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000000636996 557030184 /nfs/dbraw/zinc/03/01/84/557030184.db2.gz CNJHPMUSTIPOAC-UHFFFAOYSA-N -1 0 415.540 4.494 50 0 HIAARM CNC(=O)c1cccc2cccc([S@](=O)c3cccc4cccc(C(=O)[O-])c43)c21 ZINC000001039010 557152078 /nfs/dbraw/zinc/15/20/78/557152078.db2.gz YRFJHQAKNNMTDM-GDLZYMKVSA-N -1 0 403.459 4.218 50 0 HIAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccccc3)ccc2Cl)cc1 ZINC000001116547 557187524 /nfs/dbraw/zinc/18/75/24/557187524.db2.gz KHYDADTVIPAXJS-UHFFFAOYSA-N -1 0 414.914 4.379 50 0 HIAARM COc1cccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c1 ZINC000002526805 557354686 /nfs/dbraw/zinc/35/46/86/557354686.db2.gz IKKQVAWYVGALAQ-HSZRJFAPSA-N -1 0 417.461 4.230 50 0 HIAARM O=C([O-])C[C@H](Cc1ccncc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002575645 557357452 /nfs/dbraw/zinc/35/74/52/557357452.db2.gz ZHEGVQVHZCLRTM-KRWDZBQOSA-N -1 0 402.450 4.006 50 0 HIAARM COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000002767148 557382734 /nfs/dbraw/zinc/38/27/34/557382734.db2.gz YSHCRIORPHRARX-HZPDHXFCSA-N -1 0 413.495 4.424 50 0 HIAARM CCCOc1ccc(CCc2nnc(SCC(=O)[O-])n2Cc2ccccc2)cc1 ZINC000002866939 557412762 /nfs/dbraw/zinc/41/27/62/557412762.db2.gz XBBNYZQYWVPOQB-UHFFFAOYSA-N -1 0 411.527 4.077 50 0 HIAARM CC[C@H](C)Oc1cccc(-c2nnc(CCC(=O)N(C)Cc3ccccc3)c(=O)[n-]2)c1 ZINC000034765094 557461848 /nfs/dbraw/zinc/46/18/48/557461848.db2.gz WQXVGQPYGBWARP-KRWDZBQOSA-N -1 0 420.513 4.013 50 0 HIAARM COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000004179867 557525369 /nfs/dbraw/zinc/52/53/69/557525369.db2.gz LHGRBARTNZEDSG-UONOGXRCSA-N -1 0 405.447 4.170 50 0 HIAARM CCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1Cl ZINC000004845177 557605401 /nfs/dbraw/zinc/60/54/01/557605401.db2.gz OTUBDHXLBFFSFI-UHFFFAOYSA-N -1 0 413.282 4.217 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccccc2Cl)cc1 ZINC000005068647 557633819 /nfs/dbraw/zinc/63/38/19/557633819.db2.gz QJYISJLRLFLNCY-UHFFFAOYSA-N -1 0 414.914 4.379 50 0 HIAARM Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)c1 ZINC000006028959 557684551 /nfs/dbraw/zinc/68/45/51/557684551.db2.gz PDLDXOHXMAXKON-UHFFFAOYSA-N -1 0 424.478 4.055 50 0 HIAARM Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000002762713 557755768 /nfs/dbraw/zinc/75/57/68/557755768.db2.gz FJKDRXXCMIRMKS-LSDHHAIUSA-N -1 0 422.312 4.461 50 0 HIAARM COc1ccc([C@@H]2CC(=O)c3cnc([N-]c4nc(C)c5ccccc5n4)nc3C2)cc1 ZINC000009245631 557832712 /nfs/dbraw/zinc/83/27/12/557832712.db2.gz ARMHXEKGJSSWKB-INIZCTEOSA-N -1 0 411.465 4.393 50 0 HIAARM CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@H]12 ZINC000009425860 557842713 /nfs/dbraw/zinc/84/27/13/557842713.db2.gz GRYNUPJCHQDLHL-PRSBGKBPSA-N -1 0 423.468 4.130 50 0 HIAARM O=C([O-])c1cc(Cl)ccc1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000009762174 557849627 /nfs/dbraw/zinc/84/96/27/557849627.db2.gz CZJQHTWEIUGNPD-UHFFFAOYSA-N -1 0 420.808 4.091 50 0 HIAARM Cc1sc([N-]S(=O)(=O)c2ccccc2)nc1C(=O)NC1CCCCCCC1 ZINC000020731516 558406695 /nfs/dbraw/zinc/40/66/95/558406695.db2.gz KFMFFZVCBUKQJB-UHFFFAOYSA-N -1 0 407.561 4.095 50 0 HIAARM O=S(=O)([N-]c1ccccc1-c1nc(COc2ccccc2)no1)c1ccccc1 ZINC000022462372 558490903 /nfs/dbraw/zinc/49/09/03/558490903.db2.gz RGMQJOPXLVBFTR-UHFFFAOYSA-N -1 0 407.451 4.116 50 0 HIAARM C[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccnc1Cl)c1ccccc1 ZINC000022757440 558508213 /nfs/dbraw/zinc/50/82/13/558508213.db2.gz QIFCAEDSCFDSFR-CQSZACIVSA-N -1 0 415.902 4.027 50 0 HIAARM O=C(NCc1cc(C(=O)c2ccccc2[O-])cn2c3ccccc3nc12)c1ccccc1 ZINC000014075026 558617596 /nfs/dbraw/zinc/61/75/96/558617596.db2.gz LASGZNOHENQZDU-UHFFFAOYSA-N -1 0 421.456 4.354 50 0 HIAARM O=S(=O)([N-]c1ccccc1-c1n[nH]c(C2CC2)n1)c1cc(Cl)ccc1Cl ZINC000027597713 558677145 /nfs/dbraw/zinc/67/71/45/558677145.db2.gz XOYJPPAXCRAIJP-UHFFFAOYSA-N -1 0 409.298 4.457 50 0 HIAARM O=S(=O)([N-]c1cc(-c2ccc(Br)s2)[nH]n1)c1ccc(Cl)cc1 ZINC000072289735 558722659 /nfs/dbraw/zinc/72/26/59/558722659.db2.gz WTPSPQFAGAJNMP-UHFFFAOYSA-N -1 0 418.725 4.355 50 0 HIAARM O=C([O-])CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1cccc(F)c1 ZINC000015722516 558749859 /nfs/dbraw/zinc/74/98/59/558749859.db2.gz QOOUQPVDFTXCAC-KRWDZBQOSA-N -1 0 419.250 4.131 50 0 HIAARM Cc1ccc(NC(=O)c2c(NC(=O)C[C@@H](C)CC(=O)[O-])sc3c2CCC3)cc1 ZINC000017081986 558813919 /nfs/dbraw/zinc/81/39/19/558813919.db2.gz MKVYFXWXLVRSGA-CYBMUJFWSA-N -1 0 400.500 4.237 50 0 HIAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCC2 ZINC000017088518 558817344 /nfs/dbraw/zinc/81/73/44/558817344.db2.gz JNFMVOLNNHVKSW-LSDHHAIUSA-N -1 0 410.495 4.095 50 0 HIAARM O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1sccc1C(=O)Nc1ccccc1F ZINC000017090610 558819296 /nfs/dbraw/zinc/81/92/96/558819296.db2.gz GWGQFHJNDBPADB-BRXCMPCDSA-N -1 0 416.474 4.215 50 0 HIAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccccc2F)cc1 ZINC000017248728 558826260 /nfs/dbraw/zinc/82/62/60/558826260.db2.gz CNINLDDRSJTLRM-UHFFFAOYSA-N -1 0 424.457 4.322 50 0 HIAARM O=C(C1CC1)N1CCc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc21 ZINC000013696940 558856675 /nfs/dbraw/zinc/85/66/75/558856675.db2.gz XYAFRRLJTNXYMO-UHFFFAOYSA-N -1 0 411.310 4.093 50 0 HIAARM Cc1ccccc1C(=O)Nc1ccc(N2CCN(c3ccccc3)CC2)c(C(=O)[O-])c1 ZINC000033078558 558868081 /nfs/dbraw/zinc/86/80/81/558868081.db2.gz CDTCQHRVQSZBRB-UHFFFAOYSA-N -1 0 415.493 4.272 50 0 HIAARM CC(=O)N(C(C)=O)c1cc(C(=O)[O-])ccc1Sc1ccc(Br)cc1 ZINC000004660549 558873678 /nfs/dbraw/zinc/87/36/78/558873678.db2.gz XVUHJVSSDYNIJW-UHFFFAOYSA-N -1 0 408.273 4.198 50 0 HIAARM O=S(=O)([N-]c1ccc(-c2noc(Cc3cccc(F)c3)n2)cc1)c1cccs1 ZINC000033122921 558879614 /nfs/dbraw/zinc/87/96/14/558879614.db2.gz WXORIRWMIHDPCE-UHFFFAOYSA-N -1 0 415.471 4.329 50 0 HIAARM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)o1 ZINC000004702403 558910016 /nfs/dbraw/zinc/91/00/16/558910016.db2.gz WVQTWOONUJFXFP-UNOMPAQXSA-N -1 0 402.406 4.046 50 0 HIAARM COC(=O)c1cc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)ccc1Cl ZINC000058363910 558922015 /nfs/dbraw/zinc/92/20/15/558922015.db2.gz XKDWVDOHNCZWAO-UHFFFAOYSA-N -1 0 400.692 4.296 50 0 HIAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cnc2ccccc2c1 ZINC000072414291 558977971 /nfs/dbraw/zinc/97/79/71/558977971.db2.gz QRHFMSGDVSIUGT-UHFFFAOYSA-N -1 0 407.289 4.197 50 0 HIAARM Cc1ccc(S(=O)(=O)C2=C([O-])C(=O)N(c3ccccc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000023119089 559013543 /nfs/dbraw/zinc/01/35/43/559013543.db2.gz YGVMPZUPCQYTOZ-FQEVSTJZSA-N -1 0 423.465 4.466 50 0 HIAARM O=C(NCc1ccc(Cl)cc1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000004732634 559033336 /nfs/dbraw/zinc/03/33/36/559033336.db2.gz QTGHEZSJYMEITO-UHFFFAOYSA-N -1 0 406.916 4.132 50 0 HIAARM Cc1sc(-c2cc[nH]n2)cc1S(=O)(=O)[N-]c1ccc(Br)c(C)c1 ZINC000033306758 559051754 /nfs/dbraw/zinc/05/17/54/559051754.db2.gz GWYBJIKHDMITHA-UHFFFAOYSA-N -1 0 412.334 4.318 50 0 HIAARM Cc1nn(-c2ccc(-c3ccccc3)nn2)c(C)c1S(=O)(=O)[N-]c1ccccc1C ZINC000033307988 559052237 /nfs/dbraw/zinc/05/22/37/559052237.db2.gz LVNUZHRUAAXNHJ-UHFFFAOYSA-N -1 0 419.510 4.055 50 0 HIAARM C[C@@H]1CCc2c(sc3[nH]c(=O)c(C(=O)Nc4ccc(F)c(Cl)c4)c([O-])c23)C1 ZINC000033308684 559052776 /nfs/dbraw/zinc/05/27/76/559052776.db2.gz FKYHZXPMKOZYQO-MRVPVSSYSA-N -1 0 406.866 4.465 50 0 HIAARM O=C([O-])[C@@H]1ON(c2ccccc2)[C@H](c2ccccc2)[C@@H]1C(=O)Nc1ccc(F)cc1 ZINC000004770157 559055604 /nfs/dbraw/zinc/05/56/04/559055604.db2.gz ONDFJSDDIDXXQC-PWRODBHTSA-N -1 0 406.413 4.027 50 0 HIAARM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000096171008 559100957 /nfs/dbraw/zinc/10/09/57/559100957.db2.gz PACWIKYFVUWFAU-UHFFFAOYSA-N -1 0 423.101 4.460 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2nc(-c3ccccc3)cc(-c3ccncc3)n2)cc1 ZINC000096319408 559109915 /nfs/dbraw/zinc/10/99/15/559109915.db2.gz CFBXLCWDWSTZJK-UHFFFAOYSA-N -1 0 402.479 4.315 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2ccc(C)s2)c1 ZINC000006235028 559110611 /nfs/dbraw/zinc/11/06/11/559110611.db2.gz UXOYPLOXZFSAPG-UHFFFAOYSA-N -1 0 402.497 4.118 50 0 HIAARM CCCCn1c(=O)c(C(=O)Nc2cc(Cl)ccc2OC)c([O-])c2ccccc21 ZINC000100451042 559135462 /nfs/dbraw/zinc/13/54/62/559135462.db2.gz VZWLFCNOXAAPJV-UHFFFAOYSA-N -1 0 400.862 4.422 50 0 HIAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c1 ZINC000023394464 559173751 /nfs/dbraw/zinc/17/37/51/559173751.db2.gz KZCZEBBBOKCYQJ-UHFFFAOYSA-N -1 0 405.394 4.183 50 0 HIAARM CCCCCCn1c2ccccc2c([O-])c(C(=O)Nc2nnc(CCC)s2)c1=O ZINC000100512735 559214836 /nfs/dbraw/zinc/21/48/36/559214836.db2.gz GJFGGOAXOMYWEV-UHFFFAOYSA-N -1 0 414.531 4.344 50 0 HIAARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2nnc(CC(C)C)s2)c1=O ZINC000100512725 559214853 /nfs/dbraw/zinc/21/48/53/559214853.db2.gz NMTZQIHEZRCROF-UHFFFAOYSA-N -1 0 414.531 4.200 50 0 HIAARM CCCOC(=O)c1ccc(NC(=O)c2c([O-])c3ccccc3n(CC(C)C)c2=O)cc1 ZINC000100551172 559225491 /nfs/dbraw/zinc/22/54/91/559225491.db2.gz RMBPLVGQAURFLN-UHFFFAOYSA-N -1 0 422.481 4.182 50 0 HIAARM Cc1c([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(Cl)cc2)cnn1C ZINC000061717657 559292533 /nfs/dbraw/zinc/29/25/33/559292533.db2.gz YGXHXOARPGDIRS-GFCCVEGCSA-N -1 0 401.875 4.283 50 0 HIAARM COc1ccc(NS(=O)(=O)c2cccc(NC(=O)Nc3ccc(F)cc3)c2)cc1 ZINC000005557605 560614178 /nfs/dbraw/zinc/61/41/78/560614178.db2.gz UGSWKFKZQFNSCJ-UHFFFAOYSA-N -1 0 415.446 4.279 50 0 HIAARM Cc1n[nH]c(SC(=Cc2ccc(-c3ccc(Br)cc3)o2)C(=O)[O-])n1 ZINC000005611608 560630331 /nfs/dbraw/zinc/63/03/31/560630331.db2.gz MYSQHSXWHNNYDN-RIYZIHGNSA-N -1 0 406.261 4.353 50 0 HIAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(F)cc1)c1cccs1 ZINC000017206924 560704004 /nfs/dbraw/zinc/70/40/04/560704004.db2.gz FVSSFPOTXRTQTC-UHFFFAOYSA-N -1 0 400.460 4.375 50 0 HIAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc(OC)cc2OC)C1 ZINC000097993213 560758713 /nfs/dbraw/zinc/75/87/13/560758713.db2.gz SEQHDBYRSQMVFP-WJDWOHSUSA-N -1 0 404.466 4.326 50 0 HIAARM Cc1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@@H]3c2ccc(C(=O)[O-])cc2)cc1C ZINC000101167892 560787424 /nfs/dbraw/zinc/78/74/24/560787424.db2.gz HYAWWFKDVZINFN-QFIPXVFZSA-N -1 0 424.460 4.260 50 0 HIAARM O=C(Nc1ccccc1Cl)c1c([O-])c2cccnc2n(-c2cccc(F)c2)c1=O ZINC000101722327 560798823 /nfs/dbraw/zinc/79/88/23/560798823.db2.gz BVVUZCUEJPTDQA-UHFFFAOYSA-N -1 0 409.804 4.136 50 0 HIAARM Cc1ccc(C)c(NC(=O)c2c([O-])c3cccnc3n(-c3ccc(F)cc3)c2=O)c1 ZINC000101723187 560799177 /nfs/dbraw/zinc/79/91/77/560799177.db2.gz SDPVPXFIYATDKS-UHFFFAOYSA-N -1 0 403.413 4.100 50 0 HIAARM COc1ccc(-n2c(=O)c(C(=O)Nc3ccccc3Cl)c([O-])c3cccnc32)cc1 ZINC000101723402 560799252 /nfs/dbraw/zinc/79/92/52/560799252.db2.gz XQKWSSHZBARJAC-UHFFFAOYSA-N -1 0 421.840 4.006 50 0 HIAARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1CC(=O)N1CCCCC1 ZINC000101831399 560802921 /nfs/dbraw/zinc/80/29/21/560802921.db2.gz NXDXYUMWYPYXSN-UHFFFAOYSA-N -1 0 416.934 4.218 50 0 HIAARM CCc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3/C=C/c2ccccc2)cc1 ZINC000101835878 560803470 /nfs/dbraw/zinc/80/34/70/560803470.db2.gz YHXWOGJFMCSFIP-QHSLDKKCSA-N -1 0 414.465 4.346 50 0 HIAARM CCc1ccc(C([O-])=C2CC(=O)Nc3c2c(C)nn3-c2ccc(F)cc2F)s1 ZINC000046057250 568426039 /nfs/dbraw/zinc/42/60/39/568426039.db2.gz CMIBCZSFOVAZMF-ZDUSSCGKSA-N -1 0 401.438 4.392 50 0 HIAARM COc1ccc(S(=O)(=O)c2c(C)c(NC(=O)c3ccccc3)cc(C)c2[O-])cc1 ZINC000000719266 568465988 /nfs/dbraw/zinc/46/59/88/568465988.db2.gz YQZYURLHZKXHTB-UHFFFAOYSA-N -1 0 411.479 4.103 50 0 HIAARM Cc1cc2oc(-c3ccc4c(c3)C[C@@H](C)O4)c(-c3c([O-])cc(C)oc3=O)c2c(=O)o1 ZINC000604405573 568492631 /nfs/dbraw/zinc/49/26/31/568492631.db2.gz QUTXPWHWAQUPNO-SNVBAGLBSA-N -1 0 406.390 4.319 50 0 HIAARM C[C@]12C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@H]1C1c3ccccc3C2c2ccccc21 ZINC000000828232 568500282 /nfs/dbraw/zinc/50/02/82/568500282.db2.gz GMZGRRUOIYIHFS-CIFGUPKKSA-N -1 0 409.441 4.172 50 0 HIAARM C[C@H](c1ccncc1)N(C)C(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000095973906 568509154 /nfs/dbraw/zinc/50/91/54/568509154.db2.gz KGFDNQUIKMVEOM-SECBINFHSA-N -1 0 414.097 4.145 50 0 HIAARM O=C1NC(=S)SC1=Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000033500404 568515000 /nfs/dbraw/zinc/51/50/00/568515000.db2.gz ORYDCHGWSJSING-ZROIWOOFSA-N -1 0 411.913 4.437 50 0 HIAARM CCCCCC[C@@](C)(NC(=O)C1CCN(C(=O)Nc2cccc(C)c2)CC1)C(=O)[O-] ZINC000225552760 568650338 /nfs/dbraw/zinc/65/03/38/568650338.db2.gz QDWKZZGSWOBHAL-HSZRJFAPSA-N -1 0 417.550 4.169 50 0 HIAARM CCCCCC[C@](C)(NC(=O)C1CCN(C(=O)Nc2cccc(C)c2)CC1)C(=O)[O-] ZINC000225552718 568650345 /nfs/dbraw/zinc/65/03/45/568650345.db2.gz QDWKZZGSWOBHAL-QHCPKHFHSA-N -1 0 417.550 4.169 50 0 HIAARM CCc1cc2c(cc1S(=O)(=O)[N-]c1cc(C)ccc1OC)[nH]c1c2C(=O)CCC1 ZINC000020990557 568655709 /nfs/dbraw/zinc/65/57/09/568655709.db2.gz RVDSGABLJSVKQJ-UHFFFAOYSA-N -1 0 412.511 4.367 50 0 HIAARM COc1cc(NC(=O)CC(C)C)cc2sc([N-]S(=O)(=O)c3ccccc3)nc21 ZINC000021353368 568687997 /nfs/dbraw/zinc/68/79/97/568687997.db2.gz JALOIFNCYJKECM-UHFFFAOYSA-N -1 0 419.528 4.090 50 0 HIAARM CCc1[n-]n2c(nc(CSc3nnc(C)s3)cc2=O)c1-c1ccc(OC)cc1 ZINC000226850067 568698277 /nfs/dbraw/zinc/69/82/77/568698277.db2.gz HRCZJCLGEPXALX-UHFFFAOYSA-N -1 0 413.528 4.125 50 0 HIAARM COc1cc(C(=O)[O-])ccc1CCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000685945112 568722851 /nfs/dbraw/zinc/72/28/51/568722851.db2.gz VXSJQFRUNRFDDK-UHFFFAOYSA-N -1 0 417.461 4.475 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3onc(C)c3C)sc2C)cc1OC ZINC000096323505 568732194 /nfs/dbraw/zinc/73/21/94/568732194.db2.gz JGYVXKGTYZQHFO-UHFFFAOYSA-N -1 0 408.501 4.146 50 0 HIAARM COc1cc(OC)c([N-]S(=O)(=O)c2cc(Br)ccc2C)cc1Cl ZINC000018707502 568738774 /nfs/dbraw/zinc/73/87/74/568738774.db2.gz OVCBGOWUHISBAP-UHFFFAOYSA-N -1 0 420.712 4.229 50 0 HIAARM CCc1cccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2-c2nnc(C3CCC3)o2)c1 ZINC000096379712 568741332 /nfs/dbraw/zinc/74/13/32/568741332.db2.gz QFAPLKDKRWGGDL-UHFFFAOYSA-N -1 0 400.504 4.312 50 0 HIAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2C)c1-c1nc(C2CC2)no1 ZINC000096379843 568741625 /nfs/dbraw/zinc/74/16/25/568741625.db2.gz RLMNKJMSJFDOEI-UHFFFAOYSA-N -1 0 406.895 4.322 50 0 HIAARM O=C([O-])c1ccc(CNCc2nn(Cc3ccc(F)cc3)nc2-c2ccccc2)cc1 ZINC000247365934 568744903 /nfs/dbraw/zinc/74/49/03/568744903.db2.gz FWDUQYRKTSSGEH-UHFFFAOYSA-N -1 0 416.456 4.121 50 0 HIAARM CCn1c(/C=C\c2ccc(C(=O)[O-])cc2)nc2cc(S(=O)(=O)C(F)(F)F)ccc21 ZINC000096399832 568749038 /nfs/dbraw/zinc/74/90/38/568749038.db2.gz XDZFEBZHDHENPJ-YHYXMXQVSA-N -1 0 424.400 4.218 50 0 HIAARM O=C([O-])[C@H]1CC(c2ccc(NC(=O)c3ccc(F)cc3)cc2)=Nc2ccccc2N1 ZINC000334162858 568763888 /nfs/dbraw/zinc/76/38/88/568763888.db2.gz SOTPYKDLUXEHGM-OAQYLSRUSA-N -1 0 403.413 4.468 50 0 HIAARM CN(Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C(=O)CCC(=O)[O-] ZINC000002657837 568798398 /nfs/dbraw/zinc/79/83/98/568798398.db2.gz DFWWUYWYJQMTLP-UHFFFAOYSA-N -1 0 403.438 4.109 50 0 HIAARM C[C@@H]1C[C@@H](C)CN(C(=O)C2CCC(Cn3c(=O)c4ccccc4[n-]c3=S)CC2)C1 ZINC000002972116 568832145 /nfs/dbraw/zinc/83/21/45/568832145.db2.gz LSWNFIYKCYVERM-MRLCAUJQSA-N -1 0 413.587 4.370 50 0 HIAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C(C)C)cc3)cc2)n1 ZINC000001284177 568910757 /nfs/dbraw/zinc/91/07/57/568910757.db2.gz HEDMDYLNYOVJPQ-UHFFFAOYSA-N -1 0 424.526 4.270 50 0 HIAARM Cc1cc(Br)ccc1NC(=O)Cc1c2ccccc2n(C)c1C(=O)[O-] ZINC000003660277 568923465 /nfs/dbraw/zinc/92/34/65/568923465.db2.gz HZVXFDUXPIYABU-UHFFFAOYSA-N -1 0 401.260 4.129 50 0 HIAARM CCCn1nc(C)cc1CN(C)c1ccc(NC(=O)c2ccccc2)cc1C(=O)[O-] ZINC000046053641 568927821 /nfs/dbraw/zinc/92/78/21/568927821.db2.gz TZUIVRWMTCTDAE-UHFFFAOYSA-N -1 0 406.486 4.188 50 0 HIAARM Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(C)C)cc1 ZINC000003958698 568930592 /nfs/dbraw/zinc/93/05/92/568930592.db2.gz VOEPGIKGVNVMFV-IBGZPJMESA-N -1 0 408.454 4.383 50 0 HIAARM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Sc2nncn2C)c(C)s1 ZINC000012774388 568953522 /nfs/dbraw/zinc/95/35/22/568953522.db2.gz BPEJXRIIXMQUQX-UHFFFAOYSA-N -1 0 414.965 4.099 50 0 HIAARM COc1cc(OC)c(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(F)cc3)n2)cc1OC ZINC000015677205 568965179 /nfs/dbraw/zinc/96/51/79/568965179.db2.gz ZCOFPJLMNKIUNH-UHFFFAOYSA-N -1 0 423.400 4.155 50 0 HIAARM O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000001462113 568988763 /nfs/dbraw/zinc/98/87/63/568988763.db2.gz FFURMRCKHVDVGR-XCVCLJGOSA-N -1 0 419.915 4.249 50 0 HIAARM O=S(=O)([N-]c1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1ccc(Cl)s1 ZINC000015882157 569019043 /nfs/dbraw/zinc/01/90/43/569019043.db2.gz VEYAHHPOPVVMSS-UHFFFAOYSA-N -1 0 420.947 4.260 50 0 HIAARM O=C([O-])c1cn2cc(CNC(=O)OCC3c4ccccc4-c4ccccc43)ccc2n1 ZINC000669372396 569039294 /nfs/dbraw/zinc/03/92/94/569039294.db2.gz RABYVSAEAHKZRS-UHFFFAOYSA-N -1 0 413.433 4.071 50 0 HIAARM O=S(=O)([N-]c1ccc(-c2nnc3n2CCCCC3)cc1)c1ccccc1Cl ZINC000006328709 569043361 /nfs/dbraw/zinc/04/33/61/569043361.db2.gz NZUPBTLJYWWBEK-UHFFFAOYSA-N -1 0 402.907 4.126 50 0 HIAARM COc1ccccc1-c1coc2c(c([O-])cc3c2[C@H](c2ccco2)CC(=O)O3)c1=O ZINC000524729273 569051514 /nfs/dbraw/zinc/05/15/14/569051514.db2.gz LTNITONDPHZIHX-ZDUSSCGKSA-N -1 0 404.374 4.208 50 0 HIAARM CCC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC(C)=C(C)C[C@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000239164869 569054002 /nfs/dbraw/zinc/05/40/02/569054002.db2.gz NBIXLGMEHJODLK-VNQPRFMTSA-N -1 0 418.559 4.138 50 0 HIAARM Cc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000006471492 569058030 /nfs/dbraw/zinc/05/80/30/569058030.db2.gz CCABIYFCVAESTJ-UHFFFAOYSA-N -1 0 402.422 4.326 50 0 HIAARM O=C([O-])c1cc(N2CCN(c3ccc(F)cc3)CC2)ccc1NC(=O)c1ccccc1 ZINC000064590063 569069091 /nfs/dbraw/zinc/06/90/91/569069091.db2.gz UEZMADPKYYCROB-UHFFFAOYSA-N -1 0 419.456 4.103 50 0 HIAARM CC(C)(C)OC(=O)N1CCC(c2c(C(=O)[O-])cnn2-c2cccc(Cl)c2)CC1 ZINC000006769786 569116011 /nfs/dbraw/zinc/11/60/11/569116011.db2.gz CAZZMMGWQRKHJY-UHFFFAOYSA-N -1 0 405.882 4.338 50 0 HIAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(-c2nnc(C3CCC3)o2)s1 ZINC000064920616 569121320 /nfs/dbraw/zinc/12/13/20/569121320.db2.gz ATKKWMVOEAPCKP-UHFFFAOYSA-N -1 0 405.501 4.183 50 0 HIAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)CN2C(=O)C(C)C ZINC000065021096 569154242 /nfs/dbraw/zinc/15/42/42/569154242.db2.gz ZLKNIOPNRXPASY-UHFFFAOYSA-N -1 0 416.543 4.166 50 0 HIAARM CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1ccc(OC)cc1OC ZINC000006887807 569171457 /nfs/dbraw/zinc/17/14/57/569171457.db2.gz PAQKLYSEBQFIDR-UHFFFAOYSA-N -1 0 402.472 4.030 50 0 HIAARM O=C(Nc1cccc(C(F)(F)F)c1)c1c(=O)[nH]c2sc3c(c2c1[O-])CCCC3 ZINC000065150348 569184831 /nfs/dbraw/zinc/18/48/31/569184831.db2.gz XLZYMGDXWZRHGG-UHFFFAOYSA-N -1 0 408.401 4.445 50 0 HIAARM CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c1C ZINC000065194624 569192839 /nfs/dbraw/zinc/19/28/39/569192839.db2.gz WVYASMWVBYAWDW-UHFFFAOYSA-N -1 0 422.457 4.131 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCCC4)o3)o2)cc1Cl ZINC000065246448 569205577 /nfs/dbraw/zinc/20/55/77/569205577.db2.gz NLEDRWXBXYKNCU-UHFFFAOYSA-N -1 0 423.878 4.450 50 0 HIAARM CCOC(=O)c1cccc(Nc2c(-c3ccc(C(=O)[O-])cc3)nc3cnccn32)c1 ZINC000065323348 569224762 /nfs/dbraw/zinc/22/47/62/569224762.db2.gz KIKABJLDVUOILH-UHFFFAOYSA-N -1 0 402.410 4.015 50 0 HIAARM Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@H](NC(=O)[C@@H]1CC=CCC1)C(=O)[O-] ZINC000170592079 569240984 /nfs/dbraw/zinc/24/09/84/569240984.db2.gz QIQHFQJDZDQVRG-KDOFPFPSSA-N -1 0 421.419 4.106 50 0 HIAARM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccnc3)ccc2Cl)c1C ZINC000006138973 569277714 /nfs/dbraw/zinc/27/77/14/569277714.db2.gz LDVQRGHKUXFGHM-UHFFFAOYSA-N -1 0 415.902 4.405 50 0 HIAARM CCC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3C(C)(C)C)C(=O)[O-] ZINC000002121056 569285519 /nfs/dbraw/zinc/28/55/19/569285519.db2.gz WQGIENWNHKPXGY-KRWDZBQOSA-N -1 0 413.470 4.057 50 0 biogenic HIAARM O=C([O-])c1ccccc1C(=O)NCC[C@@H](c1ccccc1)c1ccc2c(c1)OCO2 ZINC000002134113 569287459 /nfs/dbraw/zinc/28/74/59/569287459.db2.gz XSQQLUSZAUMAHI-SFHVURJKSA-N -1 0 403.434 4.066 50 0 biogenic HIAARM CC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1 ZINC000007777832 569308845 /nfs/dbraw/zinc/30/88/45/569308845.db2.gz ZQKFFOAMPSGVSE-UHFFFAOYSA-N -1 0 412.536 4.275 50 0 HIAARM COC(=O)c1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(Cl)c4)c32)cc1 ZINC000066091436 569314537 /nfs/dbraw/zinc/31/45/37/569314537.db2.gz GRVJHEPPHFPBDN-MRXNPFEDSA-N -1 0 424.840 4.090 50 0 HIAARM COc1ccccc1CNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1 ZINC000008836403 571123049 /nfs/dbraw/zinc/12/30/49/571123049.db2.gz CTZZMAGLPODNFN-UHFFFAOYSA-N -1 0 420.494 4.051 50 0 HIAARM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccsc3C(=O)OC)ccc21 ZINC000009002279 571209772 /nfs/dbraw/zinc/20/97/72/571209772.db2.gz QYCZORGVVXLUPR-UHFFFAOYSA-N -1 0 414.508 4.463 50 0 HIAARM CCCCC(=O)N[C@@]([N-]c1nc2ccc(C)cc2s1)(C(=O)OCC)C(F)(F)F ZINC000009111619 571223126 /nfs/dbraw/zinc/22/31/26/571223126.db2.gz YEQKDWXGBDBACU-QGZVFWFLSA-N -1 0 417.453 4.145 50 0 HIAARM CCCn1nc([N-]S(=O)(=O)c2ccc(OC)cc2)c2cc3cc(C)ccc3nc21 ZINC000009357359 571251229 /nfs/dbraw/zinc/25/12/29/571251229.db2.gz HCIXUOQAQAWWEE-UHFFFAOYSA-N -1 0 410.499 4.112 50 0 HIAARM CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1-c1cc2ccccc2o1 ZINC000009484804 571262281 /nfs/dbraw/zinc/26/22/81/571262281.db2.gz HDSXMAYHVHTGCY-UHFFFAOYSA-N -1 0 422.466 4.140 50 0 HIAARM O=C(NC1CC1)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000009642474 571275943 /nfs/dbraw/zinc/27/59/43/571275943.db2.gz PZKIWHITOHJJOG-UHFFFAOYSA-N -1 0 418.824 4.052 50 0 HIAARM CCOC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1cc(C)ccc1OC ZINC000009646489 571276415 /nfs/dbraw/zinc/27/64/15/571276415.db2.gz BXJNQMRLNLNDTP-UHFFFAOYSA-N -1 0 423.487 4.335 50 0 HIAARM Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)[N-]c2cccc(Cl)c2C)c(C)n1C ZINC000009685034 571279710 /nfs/dbraw/zinc/27/97/10/571279710.db2.gz FRFZOWZWRSIHRK-UHFFFAOYSA-N -1 0 423.966 4.031 50 0 HIAARM CC[C@@H](C)NC(=O)Nc1ccc2sc([N-]S(=O)(=O)c3ccc(C)cc3)nc2c1 ZINC000021357556 571309128 /nfs/dbraw/zinc/30/91/28/571309128.db2.gz ZHEQEEDEOISBQW-CYBMUJFWSA-N -1 0 418.544 4.326 50 0 HIAARM COc1cc(/C=C(\CC(=O)[O-])c2nc3ccccc3o2)cc(Br)c1O ZINC000006508625 845205511 /nfs/dbraw/zinc/20/55/11/845205511.db2.gz TVRCWPHKSHSZHS-IZZDOVSWSA-N -1 0 404.216 4.320 50 0 HIAARM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4cccnc4s3)cc2)c(F)c1 ZINC000009278484 845565577 /nfs/dbraw/zinc/56/55/77/845565577.db2.gz KACAHWWKCZLOQK-UHFFFAOYSA-N -1 0 415.471 4.307 50 0 HIAARM COc1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)ccc1OC(=O)c1ccco1 ZINC000013144463 845906522 /nfs/dbraw/zinc/90/65/22/845906522.db2.gz CEFFPPKYDGVONT-UHFFFAOYSA-N -1 0 414.801 4.305 50 0 HIAARM O=C(Nc1ccc(Cl)cc1)c1nc[n-]c1C(=O)Nc1ccc(Br)cc1 ZINC000016286404 846147261 /nfs/dbraw/zinc/14/72/61/846147261.db2.gz ZSZAUNPHGRQFPC-UHFFFAOYSA-N -1 0 419.666 4.330 50 0 HIAARM COc1cc(/C=C(/CC(=O)[O-])c2nc3ccccc3o2)cc(Br)c1O ZINC000096867706 852555949 /nfs/dbraw/zinc/55/59/49/852555949.db2.gz TVRCWPHKSHSZHS-WDZFZDKYSA-N -1 0 404.216 4.320 50 0 HIAARM COC(=O)c1ccc(COc2ccccc2C=NNc2cccc(C(=O)[O-])c2)cc1 ZINC000254392182 854210321 /nfs/dbraw/zinc/21/03/21/854210321.db2.gz CQRUSXVIVMXCTG-UHFFFAOYSA-N -1 0 404.422 4.196 50 0 HIAARM O=C(c1ccccc1)N1CCCc2cc([N-]S(=O)(=O)c3ccccc3F)ccc21 ZINC000012180338 132355723 /nfs/dbraw/zinc/35/57/23/132355723.db2.gz JGSVIDCEWJRNSD-UHFFFAOYSA-N -1 0 410.470 4.220 50 0 HIAARM O=C([O-])c1cc(NC(=O)c2ccccc2F)ccc1N1CCN(c2ccccc2)CC1 ZINC000033078557 132502852 /nfs/dbraw/zinc/50/28/52/132502852.db2.gz HCZMREAJKISQSS-UHFFFAOYSA-N -1 0 419.456 4.103 50 0 HIAARM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1Br ZINC000032754973 525300191 /nfs/dbraw/zinc/30/01/91/525300191.db2.gz FZVPWHHNYRRXQI-UHFFFAOYSA-N -1 0 411.140 4.382 50 0 HIAARM O=C([O-])[C@H](Cc1ccnc(Cl)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000044321232 526307430 /nfs/dbraw/zinc/30/74/30/526307430.db2.gz QIUBOGQEEPYLOR-FQEVSTJZSA-N -1 0 422.868 4.269 50 0 HIAARM O=C([O-])c1ccc(N2CCN(c3ccccc3)CC2)c(NC(=O)c2ccccc2F)c1 ZINC000032946818 526373293 /nfs/dbraw/zinc/37/32/93/526373293.db2.gz MJTQDAXZZBTVPU-UHFFFAOYSA-N -1 0 419.456 4.103 50 0 HIAARM Cc1nc(-c2ccccc2Cl)sc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000032646406 526605976 /nfs/dbraw/zinc/60/59/76/526605976.db2.gz PJJDSRHXPXLFFY-INIZCTEOSA-N -1 0 400.887 4.198 50 0 HIAARM O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc21)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000032097330 527657171 /nfs/dbraw/zinc/65/71/71/527657171.db2.gz KOVPSHIYVWJYSP-ZMTJCJBESA-N -1 0 409.917 4.278 50 0 HIAARM COc1ccc(S(=O)(=O)[N-]c2cnn(Cc3ccc(Cl)c(Cl)c3)c2)cc1 ZINC000001002110 557139772 /nfs/dbraw/zinc/13/97/72/557139772.db2.gz YKEFZOTVBFSYRW-UHFFFAOYSA-N -1 0 412.298 4.048 50 0 HIAARM Cn1cnc(S(=O)(=O)[N-]c2ccccc2SCc2c(F)cccc2Cl)c1 ZINC000001030148 557146532 /nfs/dbraw/zinc/14/65/32/557146532.db2.gz GUPSPUUNHJQPEJ-UHFFFAOYSA-N -1 0 411.911 4.306 50 0 HIAARM O=S(=O)([N-]c1ccccc1SCc1ccc2nonc2c1)c1cccs1 ZINC000001039237 557152326 /nfs/dbraw/zinc/15/23/26/557152326.db2.gz CFELEUFFEFNMGP-UHFFFAOYSA-N -1 0 403.510 4.377 50 0 HIAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccnc2Sc2ccc(C)cc2)c1 ZINC000001043470 557154970 /nfs/dbraw/zinc/15/49/70/557154970.db2.gz FYKDOZGUVPDMHV-UHFFFAOYSA-N -1 0 416.524 4.359 50 0 HIAARM CCOc1ccccc1C(=O)NC([N-]c1cc(C)on1)(C(F)(F)F)C(F)(F)F ZINC000001044121 557155240 /nfs/dbraw/zinc/15/52/40/557155240.db2.gz NHLFSUNXURCNSP-UHFFFAOYSA-N -1 0 411.302 4.045 50 0 HIAARM Cc1ccc(OCC(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)[O-])c2)cc1C ZINC000001063606 557165247 /nfs/dbraw/zinc/16/52/47/557165247.db2.gz KCNVWSNMVWWFBI-UHFFFAOYSA-N -1 0 418.449 4.271 50 0 HIAARM O=C([O-])c1cccc(NC(=O)c2ccccc2NC(=O)COc2ccccc2Cl)c1 ZINC000002301674 557335693 /nfs/dbraw/zinc/33/56/93/557335693.db2.gz VEWHYIWQHDPCGG-UHFFFAOYSA-N -1 0 424.840 4.308 50 0 HIAARM CCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3cccc4cccnc43)cc21 ZINC000002857249 557407973 /nfs/dbraw/zinc/40/79/73/557407973.db2.gz CYGNJOOPGOIFNU-UHFFFAOYSA-N -1 0 410.451 4.267 50 0 HIAARM CC[C@H](C)Oc1cccc(-c2nnc(CCC(=O)N[C@@H](C)c3ccccc3)c(=O)[n-]2)c1 ZINC000034765002 557461839 /nfs/dbraw/zinc/46/18/39/557461839.db2.gz JELKSHYQBKIZKD-IRXDYDNUSA-N -1 0 420.513 4.232 50 0 HIAARM O=C([O-])c1cc(-c2ccc3c(c2)OCO3)nc2c1cnn2Cc1ccc(Cl)cc1 ZINC000004207411 557528837 /nfs/dbraw/zinc/52/88/37/557528837.db2.gz VSLGGZUGZOVJQL-UHFFFAOYSA-N -1 0 407.813 4.227 50 0 HIAARM O=C([O-])CC1(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CCCC1 ZINC000004228962 557530437 /nfs/dbraw/zinc/53/04/37/557530437.db2.gz GLJDWAQYHLAMPV-UHFFFAOYSA-N -1 0 420.553 4.345 50 0 in-vitro HIAARM Cn1nccc1-c1nnc([N-]c2ccn(Cc3c(Cl)cccc3Cl)n2)s1 ZINC000002731008 557754304 /nfs/dbraw/zinc/75/43/04/557754304.db2.gz GPDBKHWHNDWPSI-UHFFFAOYSA-N -1 0 406.302 4.234 50 0 HIAARM O=C(NCC1(c2ccccc2)CC1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000021047783 558430418 /nfs/dbraw/zinc/43/04/18/558430418.db2.gz BSPZGBUDUKMTGW-UHFFFAOYSA-N -1 0 424.497 4.088 50 0 HIAARM Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCc3ccc(C(=O)[O-])cc3)cc12 ZINC000012941163 558487115 /nfs/dbraw/zinc/48/71/15/558487115.db2.gz YDNZXGRQGQRQTP-UHFFFAOYSA-N -1 0 423.469 4.222 50 0 HIAARM C[C@H](C(=O)[O-])C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000034927260 558787717 /nfs/dbraw/zinc/78/77/17/558787717.db2.gz LAFPOPYNMDECEJ-KRWDZBQOSA-N -1 0 403.482 4.112 50 0 HIAARM O=C(Nc1ccccc1)c1cc(S(=O)(=O)[N-]c2cccnc2)c(Cl)cc1Cl ZINC000016489262 558794443 /nfs/dbraw/zinc/79/44/43/558794443.db2.gz IRRACJFGJZBZLP-UHFFFAOYSA-N -1 0 422.293 4.442 50 0 HIAARM CSc1ccccc1[N-]S(=O)(=O)c1ccc(SC)c(C(=O)N2CCCC2)c1 ZINC000016649851 558797930 /nfs/dbraw/zinc/79/79/30/558797930.db2.gz QFRFOQMNRACHHQ-UHFFFAOYSA-N -1 0 422.597 4.167 50 0 HIAARM CCc1c(C)sc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1C(=O)NC1CCCC1 ZINC000017087433 558816293 /nfs/dbraw/zinc/81/62/93/558816293.db2.gz WDWNMLBIUGAYOR-CVEARBPZSA-N -1 0 406.548 4.121 50 0 HIAARM O=C([O-])[C@H]1C2CCC(CC2)[C@H]1C(=O)Nc1sccc1C(=O)Nc1ccccc1F ZINC000017090612 558819328 /nfs/dbraw/zinc/81/93/28/558819328.db2.gz GWGQFHJNDBPADB-UADMCSNRSA-N -1 0 416.474 4.215 50 0 HIAARM Cc1sc(NC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)[O-])c(C(=O)NC2CCCC2)c1C ZINC000017091525 558820108 /nfs/dbraw/zinc/82/01/08/558820108.db2.gz AFNZTKVOARLELF-JOCCRWCTSA-N -1 0 418.559 4.113 50 0 HIAARM C[C@@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CC[C@@H](C)C2 ZINC000017092414 558820930 /nfs/dbraw/zinc/82/09/30/558820930.db2.gz SXYOMHWURAZQGK-ZIAGYGMSSA-N -1 0 420.575 4.375 50 0 HIAARM Cc1ccc(S(=O)(=O)Nc2ccc(N3CCC[C@@H](C)C3)cc2C(=O)[O-])c(C)c1 ZINC000033007265 558827917 /nfs/dbraw/zinc/82/79/17/558827917.db2.gz HOAPXOHMOPKESA-OAHLLOKOSA-N -1 0 402.516 4.039 50 0 HIAARM CCN(CC)c1ccc(/C=C2\C(=O)[N-]N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000000910393 558835760 /nfs/dbraw/zinc/83/57/60/558835760.db2.gz UWLMKDHRUMHXBT-LDADJPATSA-N -1 0 403.404 4.013 50 0 HIAARM COc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1Br ZINC000004601268 558840742 /nfs/dbraw/zinc/84/07/42/558840742.db2.gz RYEQMICTJAAFTQ-CQSZACIVSA-N -1 0 412.667 4.057 50 0 HIAARM O=C(c1cccs1)N1CCc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc21 ZINC000013696200 558856436 /nfs/dbraw/zinc/85/64/36/558856436.db2.gz XQGYOIWNEUCICZ-UHFFFAOYSA-N -1 0 418.927 4.405 50 0 HIAARM COc1cc(SC)ccc1C(=O)N[C@H](CC(=O)[O-])c1ccc(OC(C)C)cc1 ZINC000004619075 558865260 /nfs/dbraw/zinc/86/52/60/558865260.db2.gz TYQOXSWVLGDQOC-GOSISDBHSA-N -1 0 403.500 4.150 50 0 HIAARM CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2ccccc2)s1 ZINC000033306581 559051690 /nfs/dbraw/zinc/05/16/90/559051690.db2.gz CGTXMJPUQKCFAP-PKNBQFBNSA-N -1 0 417.512 4.364 50 0 HIAARM O=C([O-])[C@H](Cc1ccc(F)cc1F)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000016082882 559078225 /nfs/dbraw/zinc/07/82/25/559078225.db2.gz QFBGJWYZYONGDV-QFIPXVFZSA-N -1 0 423.415 4.499 50 0 HIAARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(C(=O)OCC)cc2)c1=O ZINC000100479977 559135591 /nfs/dbraw/zinc/13/55/91/559135591.db2.gz FVHLUDQNADQGOY-UHFFFAOYSA-N -1 0 422.481 4.326 50 0 HIAARM CCCn1c(=O)c(C(=O)Nc2nc(-c3ccccc3)cs2)c([O-])c2ccccc21 ZINC000100537056 559136294 /nfs/dbraw/zinc/13/62/94/559136294.db2.gz XVPXLGZWAGRHIP-UHFFFAOYSA-N -1 0 405.479 4.493 50 0 HIAARM Nc1ccc(S(=O)(=O)[N-]c2nccc(/C=C\c3ccc(Cl)cc3Cl)n2)cc1 ZINC000033413868 559167401 /nfs/dbraw/zinc/16/74/01/559167401.db2.gz QXZFOHNXEWEZHY-KXFIGUGUSA-N -1 0 421.309 4.337 50 0 HIAARM O=C([O-])C12C[C@H]3C[C@@H](C1)CC(n1ncc(Nc4cccc(F)c4)c(Cl)c1=O)(C3)C2 ZINC000004924227 559207656 /nfs/dbraw/zinc/20/76/56/559207656.db2.gz OJQAGVYNUXGKJI-GWEVUABKSA-N -1 0 417.868 4.160 50 0 HIAARM Cc1oc2cc3oc(=O)c(CCC(=O)N[C@H](CC(C)C)C(=O)[O-])c(C)c3cc2c1C ZINC000011865397 559263477 /nfs/dbraw/zinc/26/34/77/559263477.db2.gz LQANMTCDSIECLC-GOSISDBHSA-N -1 0 413.470 4.013 50 0 HIAARM COc1cc(/C=C/C(=O)[O-])cc(I)c1OCc1ccc(C)cc1 ZINC000226335436 559273305 /nfs/dbraw/zinc/27/33/05/559273305.db2.gz NAOXCTGFIMXJLJ-BQYQJAHWSA-N -1 0 424.234 4.285 50 0 HIAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cnc(-c3ccc(C)cc3C)s2)c1 ZINC000061620488 559274352 /nfs/dbraw/zinc/27/43/52/559274352.db2.gz IXHPONKCNSLCCR-UHFFFAOYSA-N -1 0 416.524 4.178 50 0 HIAARM COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)[O-])c(Br)c3N2)cc1 ZINC000002228039 560559477 /nfs/dbraw/zinc/55/94/77/560559477.db2.gz WXYBLRGDIOZLQS-UWVGGRQHSA-N -1 0 420.185 4.013 50 0 HIAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccccc1F)c1ccc(F)cc1 ZINC000017207039 560704009 /nfs/dbraw/zinc/70/40/09/560704009.db2.gz AQKMSQQQPGRPHY-UHFFFAOYSA-N -1 0 412.421 4.452 50 0 HIAARM COC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000005677277 560775927 /nfs/dbraw/zinc/77/59/27/560775927.db2.gz RESDFTZCQSNLAP-KBMXLJTQSA-N -1 0 413.495 4.292 50 0 HIAARM CCc1cccc(NC(=O)c2c([O-])c3cccnc3n(-c3cccc(F)c3)c2=O)c1 ZINC000101722402 560798811 /nfs/dbraw/zinc/79/88/11/560798811.db2.gz OSBCIXUGOIEUFW-UHFFFAOYSA-N -1 0 403.413 4.045 50 0 HIAARM CCc1ccccc1NC(=O)c1c([O-])c2cccnc2n(-c2cccc(F)c2)c1=O ZINC000101722407 560798820 /nfs/dbraw/zinc/79/88/20/560798820.db2.gz XXBUSJODNDSFDO-UHFFFAOYSA-N -1 0 403.413 4.045 50 0 HIAARM CCc1ccc(NC(=O)c2c([O-])c3cccnc3n(-c3cccc(F)c3)c2=O)cc1 ZINC000101722397 560798832 /nfs/dbraw/zinc/79/88/32/560798832.db2.gz PJRKHCUYAHGHIH-UHFFFAOYSA-N -1 0 403.413 4.045 50 0 HIAARM Cc1nc(S(=O)(=O)[N-]c2ccc(-c3nc4ccc(Cl)cc4s3)cc2)cn1C ZINC000033289339 568513627 /nfs/dbraw/zinc/51/36/27/568513627.db2.gz PKWHGLAHAAUJQF-UHFFFAOYSA-N -1 0 418.931 4.459 50 0 HIAARM O=C([O-])c1ccc([C@@H]2SCC(=O)Nc3c2cnn3-c2ccc(F)cc2F)cc1 ZINC000095480914 568633474 /nfs/dbraw/zinc/63/34/74/568633474.db2.gz AVVPEFZBLATNRW-KRWDZBQOSA-N -1 0 401.394 4.273 50 0 HIAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3F)s2)on1 ZINC000020978355 568654121 /nfs/dbraw/zinc/65/41/21/568654121.db2.gz UMZMSMWDBXGNIL-UHFFFAOYSA-N -1 0 417.281 4.414 50 0 HIAARM CC(C)c1nnc([N-]S(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)o1 ZINC000095944029 568662830 /nfs/dbraw/zinc/66/28/30/568662830.db2.gz DDWQIAYQHFMBEI-UHFFFAOYSA-N -1 0 422.304 4.423 50 0 HIAARM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000095970196 568671232 /nfs/dbraw/zinc/67/12/32/568671232.db2.gz RVGXJFIOFUPWHH-LJQANCHMSA-N -1 0 404.447 4.381 50 0 HIAARM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N2CC3(CCCC3)c3ccccc32)cc1 ZINC000095989962 568677818 /nfs/dbraw/zinc/67/78/18/568677818.db2.gz GFLCWSQAYUNXSP-UHFFFAOYSA-N -1 0 401.466 4.351 50 0 HIAARM CCc1ccccc1[N-]S(=O)(=O)c1c(C)[nH]c(-c2nnc(C3CCC3)o2)c1C ZINC000096379515 568740918 /nfs/dbraw/zinc/74/09/18/568740918.db2.gz ZIHXUQAOEMFYCY-UHFFFAOYSA-N -1 0 400.504 4.312 50 0 HIAARM CCOc1cccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[nH]c(=O)c32)c1 ZINC000086057074 568753804 /nfs/dbraw/zinc/75/38/04/568753804.db2.gz KCEPSWZSTSPESV-SFHVURJKSA-N -1 0 421.522 4.243 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)Nc3c(C)cccc3C)c2)c(C)c1 ZINC000021931902 568761682 /nfs/dbraw/zinc/76/16/82/568761682.db2.gz CNPRIWCNMWGOLC-UHFFFAOYSA-N -1 0 409.511 4.368 50 0 HIAARM O=C(CCCCn1c(=O)c2sccc2[n-]c1=S)NCCc1ccc(Cl)cc1 ZINC000002925481 568817390 /nfs/dbraw/zinc/81/73/90/568817390.db2.gz DYHUPYPZLWFEHO-UHFFFAOYSA-N -1 0 421.975 4.303 50 0 HIAARM CCCC[C@H](CC)CNC(=O)C(=C([O-])c1ccc(F)cc1)n1cc(Cl)ccc1=O ZINC000012468749 568838212 /nfs/dbraw/zinc/83/82/12/568838212.db2.gz SRECJNSQUAANKU-MGPUTAFESA-N -1 0 420.912 4.397 50 0 HIAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F)N1CCCCC1 ZINC000012556981 568855742 /nfs/dbraw/zinc/85/57/42/568855742.db2.gz IBKMIMUTMZRPMR-UHFFFAOYSA-N -1 0 412.433 4.132 50 0 HIAARM COc1cccc([N-]S(=O)(=O)c2cc(Br)ccc2Br)c1 ZINC000003378532 568891736 /nfs/dbraw/zinc/89/17/36/568891736.db2.gz LXDHXZXZIIXWFN-UHFFFAOYSA-N -1 0 421.110 4.021 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000003569741 568916282 /nfs/dbraw/zinc/91/62/82/568916282.db2.gz FRMSIECBPYZLJS-UHFFFAOYSA-N -1 0 416.886 4.402 50 0 HIAARM O=S(=O)([N-]c1cccc(-c2ccc(N3CCCCCC3)nn2)c1)c1cccs1 ZINC000004270361 568956553 /nfs/dbraw/zinc/95/65/53/568956553.db2.gz RQLVXJNYORMWLT-UHFFFAOYSA-N -1 0 414.556 4.386 50 0 HIAARM COc1ccc(NC(=O)C2CCCCC2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000008033640 568969581 /nfs/dbraw/zinc/96/95/81/568969581.db2.gz WSZVAQOMSJNVJP-UHFFFAOYSA-N -1 0 406.479 4.154 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)Nc2ccc(F)cc2)c1 ZINC000008183836 568980101 /nfs/dbraw/zinc/98/01/01/568980101.db2.gz UMSNKMWNEDVFAF-UHFFFAOYSA-N -1 0 415.446 4.279 50 0 HIAARM O=S(=O)([N-]c1cccc(-c2nnc3n2CCCCC3)c1)c1ccc(Cl)s1 ZINC000008185103 568980295 /nfs/dbraw/zinc/98/02/95/568980295.db2.gz DNVZZFAGOUPGRD-UHFFFAOYSA-N -1 0 408.936 4.187 50 0 HIAARM O=C(NCc1ccc(Cl)cc1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006146916 569014581 /nfs/dbraw/zinc/01/45/81/569014581.db2.gz FUYAROXXAORIOQ-UHFFFAOYSA-N -1 0 418.877 4.210 50 0 HIAARM C=CCN1C(=O)[C@@H](Cc2ccccc2Cl)SC1=Nc1ccc(C(=O)[O-])cc1 ZINC000001801317 569053408 /nfs/dbraw/zinc/05/34/08/569053408.db2.gz JAMBIMPRQMBAGU-QGZVFWFLSA-N -1 0 400.887 4.398 50 0 HIAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2c(C)noc2C)ccc1OC ZINC000064837428 569104460 /nfs/dbraw/zinc/10/44/60/569104460.db2.gz JYBSWNZBCNAFDA-UHFFFAOYSA-N -1 0 402.472 4.085 50 0 HIAARM COc1ccc(-c2[nH]nc3nc(-c4ccc(OC)cc4OC)cc(C(=O)[O-])c32)cc1 ZINC000006748959 569108831 /nfs/dbraw/zinc/10/88/31/569108831.db2.gz APLQOIQEXCBSHD-UHFFFAOYSA-N -1 0 405.410 4.016 50 0 HIAARM O=S(=O)([N-]c1cccc(-c2ccno2)c1)c1ccc(-c2nnc(C3CC3)o2)s1 ZINC000064920360 569121142 /nfs/dbraw/zinc/12/11/42/569121142.db2.gz HWYPPZKXKQGMOG-UHFFFAOYSA-N -1 0 414.468 4.131 50 0 HIAARM C[C@@H]1C[C@H](C)C[N@H+]([C@H](C(=O)[O-])c2cn(Cc3ccccc3)c3cc(C(=O)[O-])ccc23)C1 ZINC000036354825 569148171 /nfs/dbraw/zinc/14/81/71/569148171.db2.gz UKBAPZSOPYWEPF-MFEFFIJZSA-N -1 0 420.509 4.491 50 0 HIAARM CCOc1ccc([N-]S(=O)(=O)c2cc(-c3onc(C)c3C)ccc2OC)cc1 ZINC000006887712 569171200 /nfs/dbraw/zinc/17/12/00/569171200.db2.gz FMVKKCSJPQOBAK-UHFFFAOYSA-N -1 0 402.472 4.167 50 0 HIAARM O=C([O-])c1cccc(NC(=S)NC(=O)c2ccc(COc3ccccc3)cc2)c1 ZINC000006896730 569175975 /nfs/dbraw/zinc/17/59/75/569175975.db2.gz OLVROZHCSBWIAO-UHFFFAOYSA-N -1 0 406.463 4.091 50 0 HIAARM O=C(Nc1ccc(Br)cc1)c1c(=O)[nH]c2sc3c(c2c1[O-])CCCC3 ZINC000065150371 569184864 /nfs/dbraw/zinc/18/48/64/569184864.db2.gz DXOXCKIPGXLISE-UHFFFAOYSA-N -1 0 419.300 4.189 50 0 HIAARM CC(=O)c1cccc(NC(=O)c2c([O-])c3sccc3n(Cc3ccccc3)c2=O)c1 ZINC000065215622 569197584 /nfs/dbraw/zinc/19/75/84/569197584.db2.gz QZISFRONVDSZCZ-UHFFFAOYSA-N -1 0 418.474 4.272 50 0 HIAARM COc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc1COc1cccc(C(F)(F)F)c1 ZINC000036623959 569212706 /nfs/dbraw/zinc/21/27/06/569212706.db2.gz MRXWHGREHHBFCQ-NVXWUHKLSA-N -1 0 413.417 4.081 50 0 HIAARM C/C(=C/C(=O)Nc1ccc(S[C@H](C)C(=O)Nc2cc(C)ccc2C)cc1)C(=O)[O-] ZINC000037019007 569235229 /nfs/dbraw/zinc/23/52/29/569235229.db2.gz YJJKRWMDGNYJLZ-RTYFKUQISA-N -1 0 412.511 4.392 50 0 HIAARM CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@](C)(C(=O)[O-])c1ccccn1 ZINC000226779345 569279350 /nfs/dbraw/zinc/27/93/50/569279350.db2.gz SNMPHQXYCMBKAC-DEOSSOPVSA-N -1 0 402.450 4.262 50 0 HIAARM CCCC[C@H](NC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002104974 569282104 /nfs/dbraw/zinc/28/21/04/569282104.db2.gz BZYDWZWOLXHLDP-SFHVURJKSA-N -1 0 413.470 4.157 50 0 biogenic HIAARM C[C@@](COc1ccccc1)(NC(=O)c1ccc(-c2nc3ccccc3s2)o1)C(=O)[O-] ZINC000170671746 569297747 /nfs/dbraw/zinc/29/77/47/569297747.db2.gz ASIGBYBJLACXPC-QFIPXVFZSA-N -1 0 422.462 4.208 50 0 HIAARM O=C1Cc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3Oc3ccccc3)ccc2N1 ZINC000007927868 569327533 /nfs/dbraw/zinc/32/75/33/569327533.db2.gz JTFKYKNAEPQPLS-UHFFFAOYSA-N -1 0 414.870 4.428 50 0 HIAARM CCc1cccc([C@@H](C)CC)c1NC(=O)C(=O)c1c(C)[n-]n(-c2ccccc2)c1=O ZINC000198727054 569359628 /nfs/dbraw/zinc/35/96/28/569359628.db2.gz GCIGFHFLHNHJEA-YWZLYKJASA-N -1 0 405.498 4.309 50 0 HIAARM COc1ccc([C@@H](CC(=O)Nc2cccc(Cl)c2)c2c([O-])cc(C)oc2=O)cc1 ZINC000253471148 569381177 /nfs/dbraw/zinc/38/11/77/569381177.db2.gz MOBUNGBZODWSRU-GOSISDBHSA-N -1 0 413.857 4.477 50 0 HIAARM CCn1c(=O)c(/C=C/c2ccc(F)c(Br)c2)nc2cc(C(=O)[O-])ccc21 ZINC000010032312 569394972 /nfs/dbraw/zinc/39/49/72/569394972.db2.gz CQBLPYSSZJBCKR-QPJJXVBHSA-N -1 0 417.234 4.187 50 0 HIAARM CCc1cc(=O)n2[n-]c(Nc3ccc(C)cc3)c(S(=O)(=O)c3ccc(C)cc3)c2n1 ZINC000013363261 569411957 /nfs/dbraw/zinc/41/19/57/569411957.db2.gz IOCIROXPIWDIBZ-UHFFFAOYSA-N -1 0 422.510 4.191 50 0 HIAARM COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000008602220 571090846 /nfs/dbraw/zinc/09/08/46/571090846.db2.gz HMHKGSDNWJSWIH-UHFFFAOYSA-N -1 0 412.389 4.478 50 0 HIAARM CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1ccccc1OC ZINC000008605039 571091662 /nfs/dbraw/zinc/09/16/62/571091662.db2.gz AAMZEKULWNUJPX-UHFFFAOYSA-N -1 0 417.508 4.401 50 0 HIAARM COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000008825236 571121998 /nfs/dbraw/zinc/12/19/98/571121998.db2.gz KQHVYQPDAWUQAS-CHWSQXEVSA-N -1 0 419.886 4.461 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3Cc2ccccc2)s1 ZINC000008840664 571123698 /nfs/dbraw/zinc/12/36/98/571123698.db2.gz DXWPYARUCWWIJQ-UHFFFAOYSA-N -1 0 412.536 4.337 50 0 HIAARM O=C1CCc2cc([N-]S(=O)(=O)c3ccccc3F)ccc2N1Cc1ccccc1 ZINC000008840633 571123767 /nfs/dbraw/zinc/12/37/67/571123767.db2.gz RCSNZQQRHFQWEF-UHFFFAOYSA-N -1 0 410.470 4.106 50 0 HIAARM CCCCN1c2ccc([N-]S(=O)(=O)c3cc(CC)ccc3OC)cc2CCC1=O ZINC000008840791 571124088 /nfs/dbraw/zinc/12/40/88/571124088.db2.gz DOQZZVMDFBSEAU-UHFFFAOYSA-N -1 0 416.543 4.138 50 0 HIAARM CCCn1nc([N-]S(=O)(=O)c2ccc(OC)cc2)c2cc3ccc(C)cc3nc21 ZINC000009012827 571210869 /nfs/dbraw/zinc/21/08/69/571210869.db2.gz VRUNDXFFJVQTQT-UHFFFAOYSA-N -1 0 410.499 4.112 50 0 HIAARM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000009789164 571285442 /nfs/dbraw/zinc/28/54/42/571285442.db2.gz RPMYJNMZRNSOKU-UHFFFAOYSA-N -1 0 422.268 4.153 50 0 HIAARM Cc1cccc(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccc(Cl)cc3)n2)c1 ZINC000009828522 571286882 /nfs/dbraw/zinc/28/68/82/571286882.db2.gz KSTRUHXCKVXVPQ-UHFFFAOYSA-N -1 0 421.931 4.087 50 0 HIAARM O=C([O-])C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(O)c1 ZINC000002585871 571315636 /nfs/dbraw/zinc/31/56/36/571315636.db2.gz LZJDAHKCUYUTCN-QFIPXVFZSA-N -1 0 403.434 4.447 50 0 HIAARM O=C([O-])[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)Oc1ccc(F)cc1 ZINC000521396591 571316204 /nfs/dbraw/zinc/31/62/04/571316204.db2.gz IPCGGIWWEWKDHC-JOCHJYFZSA-N -1 0 421.424 4.196 50 0 HIAARM COc1ccc(CN2C(=O)c3ccccc3/C(=C/c3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000008775725 845550666 /nfs/dbraw/zinc/55/06/66/845550666.db2.gz SKZPXBHOEKTXNN-HMAPJEAMSA-N -1 0 413.429 4.117 50 0 HIAARM Cc1c(C(=O)[O-])sc2nc3n(c(=O)c12)CC/C3=C\c1ccccc1C(F)(F)F ZINC000012600498 845878468 /nfs/dbraw/zinc/87/84/68/845878468.db2.gz ZFURKUTZRRHBDP-DHZHZOJOSA-N -1 0 406.385 4.428 50 0 HIAARM O=C([O-])/C=C/c1ccc(NC(=O)CSc2nc(C3CC3)nc3ccccc32)cc1 ZINC000012985761 845902017 /nfs/dbraw/zinc/90/20/17/845902017.db2.gz FXBYKAOIWZQYJY-KPKJPENVSA-N -1 0 405.479 4.336 50 0 HIAARM COc1ccc(CN=Nc2c(Cl)c(Cl)nc(C(=O)[O-])c2Cl)cc1OC ZINC000254301947 854210258 /nfs/dbraw/zinc/21/02/58/854210258.db2.gz NURDFHNEYUJZLR-UHFFFAOYSA-N -1 0 404.637 4.203 50 0 HIAARM CC1CCN(c2ccc(-c3cccc([N-]S(=O)(=O)c4cccs4)c3)nn2)CC1 ZINC000005144755 132303194 /nfs/dbraw/zinc/30/31/94/132303194.db2.gz VOJIUXQIUGXGLD-UHFFFAOYSA-N -1 0 414.556 4.242 50 0 aggregator HIAARM CC1CCN(c2ccc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3)nn2)CC1 ZINC000005144824 132303213 /nfs/dbraw/zinc/30/32/13/132303213.db2.gz RDLZQFKUNVMNMG-UHFFFAOYSA-N -1 0 414.556 4.242 50 0 HIAARM O=C([O-])[C@H](c1c[nH]c2ccc(Cl)cc21)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000012323370 132358586 /nfs/dbraw/zinc/35/85/86/132358586.db2.gz DZQCQHXBJMLWIU-IBGZPJMESA-N -1 0 404.297 4.423 50 0 HIAARM CCOc1cc(S(=O)(=O)[N-]c2cnc3ccccc3c2)ccc1Br ZINC000072414303 520773213 /nfs/dbraw/zinc/77/32/13/520773213.db2.gz SSJDCDFATZDHAS-UHFFFAOYSA-N -1 0 407.289 4.197 50 0 HIAARM COc1ccc(-c2nc3c(s2)CN([C@H](C(=O)[O-])c2c[nH]c4ccccc42)CC3)cc1 ZINC000031814705 523227263 /nfs/dbraw/zinc/22/72/63/523227263.db2.gz UNVZCMAWYOUCNS-NRFANRHFSA-N -1 0 419.506 4.484 50 0 HIAARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@@H](c2cccc(OC)c2OC)CC(=O)N3)cc1 ZINC000040312668 523327252 /nfs/dbraw/zinc/32/72/52/523327252.db2.gz NHXBUHPACZHDOS-MRXNPFEDSA-N -1 0 422.437 4.325 50 0 HIAARM COc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(F)cc4)c32)c(OC)c1 ZINC000040284303 525404646 /nfs/dbraw/zinc/40/46/46/525404646.db2.gz BZPJGZVLCLMRAF-MRXNPFEDSA-N -1 0 410.401 4.455 50 0 HIAARM O=C([O-])c1ccc(NC=C2C(=O)N(c3ccc(Cl)cn3)C(=O)c3ccccc32)cc1 ZINC000032701852 526372191 /nfs/dbraw/zinc/37/21/91/526372191.db2.gz CTGJBXVRJGFXKH-LDADJPATSA-N -1 0 419.824 4.073 50 0 HIAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C(C)C)cc3)cc2)c1C ZINC000000656439 557041083 /nfs/dbraw/zinc/04/10/83/557041083.db2.gz NLXVPHPYSSVGJN-UHFFFAOYSA-N -1 0 413.499 4.468 50 0 HIAARM Cc1nc2sc([C@H](c3cccc(Br)c3)N3CCC[C@H](C)C3)c([O-])n2n1 ZINC000022626062 557077603 /nfs/dbraw/zinc/07/76/03/557077603.db2.gz XYBPPAZJPNCVJB-NHYWBVRUSA-N -1 0 421.364 4.389 50 0 HIAARM COc1ccc(CCNC(=O)c2ccccc2-c2ccccc2C(=O)[O-])cc1OC ZINC000001048100 557157906 /nfs/dbraw/zinc/15/79/06/557157906.db2.gz VCAOVDQWJBCIPN-UHFFFAOYSA-N -1 0 405.450 4.042 50 0 HIAARM O=C([O-])c1cc(Br)ccc1NC(=O)COc1ccc2ccccc2c1 ZINC000001178311 557229085 /nfs/dbraw/zinc/22/90/85/557229085.db2.gz SWIBSGFKJNQXRY-UHFFFAOYSA-N -1 0 400.228 4.318 50 0 HIAARM COc1ccccc1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002243985 557330688 /nfs/dbraw/zinc/33/06/88/557330688.db2.gz CBCSNZJHURMDMO-QFIPXVFZSA-N -1 0 417.461 4.230 50 0 HIAARM CSCC[C@H](C(=O)[O-])N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000002809923 557393709 /nfs/dbraw/zinc/39/37/09/557393709.db2.gz DWBLWBFMFMFTDT-SCSAIBSYSA-N -1 0 417.097 4.103 50 0 HIAARM COc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccs2)c1 ZINC000003169070 557452579 /nfs/dbraw/zinc/45/25/79/557452579.db2.gz VJLWMFCCVNKCMR-UHFFFAOYSA-N -1 0 412.496 4.244 50 0 HIAARM COc1cc(NC(=O)C[C@@H](CC(=O)[O-])c2ccc(C(F)(F)F)cc2)cc(OC)c1 ZINC000004371611 557547992 /nfs/dbraw/zinc/54/79/92/557547992.db2.gz VBBMWXBSHDCFLE-ZDUSSCGKSA-N -1 0 411.376 4.310 50 0 HIAARM Cc1c([O-])c(S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)c1-c1ccccc1 ZINC000005433544 557653383 /nfs/dbraw/zinc/65/33/83/557653383.db2.gz FKUMMDDEDWLWLU-UHFFFAOYSA-N -1 0 417.486 4.351 50 0 HIAARM O=C(Nc1nc(C2C3CC4CC(C3)CC2C4)cs1)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000005484116 557656778 /nfs/dbraw/zinc/65/67/78/557656778.db2.gz RRUIEAKVSZRRQD-UHFFFAOYSA-N -1 0 421.522 4.482 50 0 HIAARM Cc1cc([N-]S(=O)(=O)c2ccc(Nc3nc(-c4ccccn4)cs3)cc2)no1 ZINC000006485590 557704967 /nfs/dbraw/zinc/70/49/67/557704967.db2.gz YOXYLRJQIRGXFS-UHFFFAOYSA-N -1 0 413.484 4.046 50 0 HIAARM COC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000002738020 557752132 /nfs/dbraw/zinc/75/21/32/557752132.db2.gz RESDFTZCQSNLAP-BMFZPTHFSA-N -1 0 413.495 4.292 50 0 HIAARM O=S(=O)(Cc1ccccc1)[N-]c1nnc(SCCCc2ccccc2)s1 ZINC000020522081 558383665 /nfs/dbraw/zinc/38/36/65/558383665.db2.gz PYLGHTCDMIMMKC-UHFFFAOYSA-N -1 0 405.570 4.205 50 0 HIAARM O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc21)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000020721445 558402995 /nfs/dbraw/zinc/40/29/95/558402995.db2.gz ZKPNBNIRXZBOCX-HXUWFJFHSA-N -1 0 418.324 4.418 50 0 HIAARM Cc1nc(-c2ccc(C)cc2)sc1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000020723927 558404098 /nfs/dbraw/zinc/40/40/98/558404098.db2.gz BLTMOTLTBBVDBE-LJQANCHMSA-N -1 0 419.506 4.334 50 0 HIAARM CCOc1ccc(-c2[nH]nc3nc(-c4cc(OC)ccc4OC)cc(C(=O)[O-])c32)cc1 ZINC000013363526 558530789 /nfs/dbraw/zinc/53/07/89/558530789.db2.gz RIYFPXGHSKXZTK-UHFFFAOYSA-N -1 0 419.437 4.406 50 0 HIAARM COC(=O)c1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)cc1 ZINC000015107236 558723271 /nfs/dbraw/zinc/72/32/71/558723271.db2.gz BCTJATUOKUUBAG-OAHLLOKOSA-N -1 0 407.447 4.374 50 0 HIAARM O=C(Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)Nc1ccc2c(c1)CCC2 ZINC000030565238 558732826 /nfs/dbraw/zinc/73/28/26/558732826.db2.gz KIHIPYLPGJCOJC-UHFFFAOYSA-N -1 0 412.536 4.219 50 0 HIAARM O=C(NC1CCCCC1)C1(c2ccc([N-]S(=O)(=O)c3cccs3)cc2)CC1 ZINC000015869595 558760209 /nfs/dbraw/zinc/76/02/09/558760209.db2.gz DZUWNOALSZNXNN-UHFFFAOYSA-N -1 0 404.557 4.029 50 0 HIAARM Cc1cccc(NC(=O)c2cc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])ccc2Cl)n1 ZINC000001069869 558775125 /nfs/dbraw/zinc/77/51/25/558775125.db2.gz JAMLLYYTRZICGW-LSDHHAIUSA-N -1 0 415.877 4.125 50 0 HIAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1C(=O)c1ccccc1)C2=O ZINC000023279835 558777524 /nfs/dbraw/zinc/77/75/24/558777524.db2.gz JUQNYFNDEPYADW-UHFFFAOYSA-N -1 0 405.793 4.070 50 0 HIAARM CCn1nc([N-]S(=O)(=O)c2ccc(Cl)cc2)c2cc3cc(C)ccc3nc21 ZINC000016971846 558810748 /nfs/dbraw/zinc/81/07/48/558810748.db2.gz DPZNTSBSZOFAHD-UHFFFAOYSA-N -1 0 400.891 4.367 50 0 HIAARM Cc1ccccc1NC(=O)c1c(NC(=O)C[C@H](C)CC(=O)[O-])sc2c1CCC2 ZINC000017081976 558813916 /nfs/dbraw/zinc/81/39/16/558813916.db2.gz SWWHSYPBNWFZHA-LBPRGKRZSA-N -1 0 400.500 4.237 50 0 HIAARM Cc1sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c(C(N)=O)c1-c1ccc(C)c(C)c1 ZINC000017089220 558817931 /nfs/dbraw/zinc/81/79/31/558817931.db2.gz FWSGCUNFSUMKHZ-JKSUJKDBSA-N -1 0 412.511 4.045 50 0 HIAARM Cc1sc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c(C(N)=O)c1-c1ccc(C)c(C)c1 ZINC000017090024 558818535 /nfs/dbraw/zinc/81/85/35/558818535.db2.gz IJNRDMVXXXBFNA-CVEARBPZSA-N -1 0 414.527 4.269 50 0 HIAARM C[C@@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CC[C@H](C)C2 ZINC000017092415 558820939 /nfs/dbraw/zinc/82/09/39/558820939.db2.gz SXYOMHWURAZQGK-UONOGXRCSA-N -1 0 420.575 4.375 50 0 HIAARM Cc1ccccc1NC(=O)c1c2c(sc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])CCC2 ZINC000017094008 558822341 /nfs/dbraw/zinc/82/23/41/558822341.db2.gz IXKKCWRYIPXVKD-HUUCEWRRSA-N -1 0 424.522 4.403 50 0 HIAARM Cc1ccc2nc(-c3ccc(N4C(=O)[C@@H]5CC=CC[C@@H]5C4=O)cc3)cc(C(=O)[O-])c2c1 ZINC000018243988 558834458 /nfs/dbraw/zinc/83/44/58/558834458.db2.gz CSTSPRRBUNBSEX-HDICACEKSA-N -1 0 412.445 4.364 50 0 HIAARM Cc1ccccc1N1CCN(c2ccccc2NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])CC1 ZINC000004661715 558874740 /nfs/dbraw/zinc/87/47/40/558874740.db2.gz XESHUQUOBXVRSV-WOJBJXKFSA-N -1 0 421.541 4.151 50 0 HIAARM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4c(C)n[nH]c4C)cc3)sc2c1 ZINC000033169206 558898969 /nfs/dbraw/zinc/89/89/69/558898969.db2.gz DXQHDGAWPCAKGF-UHFFFAOYSA-N -1 0 414.512 4.113 50 0 HIAARM O=C(Nc1cccc([N-]S(=O)(=O)c2csc(-c3ccc(F)cc3)n2)c1)C1CC1 ZINC000058162403 558906041 /nfs/dbraw/zinc/90/60/41/558906041.db2.gz PTQCHWKIWXPBAD-UHFFFAOYSA-N -1 0 417.487 4.099 50 0 HIAARM O=C([O-])c1n[nH]cc1CN1CCC[C@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 ZINC000071730344 558908026 /nfs/dbraw/zinc/90/80/26/558908026.db2.gz HOEXRVUIPHLKHX-KRWDZBQOSA-N -1 0 407.445 4.009 50 0 HIAARM CCCCN(C)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1c(C)cc(C)cc1C ZINC000033253840 558922033 /nfs/dbraw/zinc/92/20/33/558922033.db2.gz CJANWFCFSJYMGY-UHFFFAOYSA-N -1 0 404.532 4.347 50 0 HIAARM CCCN(CCC)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C)cc1C ZINC000033253925 558922119 /nfs/dbraw/zinc/92/21/19/558922119.db2.gz GUHKMKBBIQMZJS-UHFFFAOYSA-N -1 0 404.532 4.429 50 0 HIAARM CCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000021874582 558961333 /nfs/dbraw/zinc/96/13/33/558961333.db2.gz VCLWXSUYUSDPQB-UHFFFAOYSA-N -1 0 410.923 4.069 50 0 HIAARM O=C(NCCc1ccccc1Cl)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000004732621 559033286 /nfs/dbraw/zinc/03/32/86/559033286.db2.gz AKDUZSJLDPBARP-UHFFFAOYSA-N -1 0 420.943 4.175 50 0 HIAARM O=C([O-])[C@H]1C[C@H]2CC(=O)CC[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095743456 559088446 /nfs/dbraw/zinc/08/84/46/559088446.db2.gz AYHUVPFAIXSTEV-CKNGIIGNSA-N -1 0 419.477 4.080 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(NC(=O)NC2CCCCC2)c1 ZINC000004865371 559193705 /nfs/dbraw/zinc/19/37/05/559193705.db2.gz STWHQBQYWHGROF-UHFFFAOYSA-N -1 0 417.531 4.259 50 0 HIAARM COC([O-])=NC(=O)c1c(C)c(C)sc1NC(=O)c1cc(Cl)ccc1Cl ZINC000005145104 559252467 /nfs/dbraw/zinc/25/24/67/559252467.db2.gz XFIFGSULNWEHCV-UHFFFAOYSA-N -1 0 401.271 4.420 50 0 HIAARM COC(=O)[C@@H](CC(C)C)NC(=O)[N-]P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000005165465 559279474 /nfs/dbraw/zinc/27/94/74/559279474.db2.gz KYGQSIAEKYLWBJ-GOSISDBHSA-N -1 0 420.402 4.139 50 0 biogenic HIAARM O=C([N-]n1c(=O)c2ccccc2nc1-c1cccc(Cl)c1)c1cccnc1Cl ZINC000005200640 560537678 /nfs/dbraw/zinc/53/76/78/560537678.db2.gz XISLOTKIOPPBEJ-UHFFFAOYSA-N -1 0 411.248 4.149 50 0 HIAARM CC(=O)c1cccc(S(=O)(=O)[N-]c2c(-c3cccs3)nc3cc(C)ccn32)c1 ZINC000005267904 560554350 /nfs/dbraw/zinc/55/43/50/560554350.db2.gz HCGGEXULNJGHDL-UHFFFAOYSA-N -1 0 411.508 4.375 50 0 HIAARM Cc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3/C=C/c2ccccc2)cc1 ZINC000101298303 560791061 /nfs/dbraw/zinc/79/10/61/560791061.db2.gz ZAFZQJIVGVBUAB-PEKVBPLLSA-N -1 0 400.438 4.092 50 0 HIAARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1CC(=O)N(C)Cc1ccccc1 ZINC000101505748 560796710 /nfs/dbraw/zinc/79/67/10/560796710.db2.gz CQMJNXXOWRVOGP-UHFFFAOYSA-N -1 0 418.522 4.211 50 0 HIAARM CCn1c(=O)c(-c2nc(-c3ccc(Br)cc3)no2)c([O-])c2ccccc21 ZINC000101725435 560799920 /nfs/dbraw/zinc/79/99/20/560799920.db2.gz VROQKELDRJTLOY-UHFFFAOYSA-N -1 0 412.243 4.207 50 0 HIAARM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000013133972 560801271 /nfs/dbraw/zinc/80/12/71/560801271.db2.gz GKDGHHXLXCPLJV-UHFFFAOYSA-N -1 0 423.101 4.460 50 0 HIAARM Cc1cccc(C)c1NCc1nn2c([n-]1)nc(C)c(Cc1ccc(Cl)cc1)c2=O ZINC000101803105 560802257 /nfs/dbraw/zinc/80/22/57/560802257.db2.gz AFUWXNJJMLOQMW-UHFFFAOYSA-N -1 0 407.905 4.199 50 0 HIAARM Cc1nc(-n2[n-]c(C)c(CCC(=O)Nc3cc(Cl)ccc3C)c2=O)sc1C ZINC000101833248 560803172 /nfs/dbraw/zinc/80/31/72/560803172.db2.gz FCLAOLYGUHTQCX-UHFFFAOYSA-N -1 0 404.923 4.493 50 0 HIAARM CCc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@@H]2/C=C/c1ccccc1 ZINC000102810643 560829329 /nfs/dbraw/zinc/82/93/29/560829329.db2.gz NJSRQVAQFKKHFV-HHNLSAEISA-N -1 0 414.465 4.346 50 0 HIAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3Cl)cnn2[C@H](/C=C/c2ccccc2)C1 ZINC000102820841 560829567 /nfs/dbraw/zinc/82/95/67/560829567.db2.gz OTONARYRFNGPIM-AUECHBEKSA-N -1 0 420.856 4.437 50 0 HIAARM Cc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2cccs2)cc1Cl ZINC000102901426 560834981 /nfs/dbraw/zinc/83/49/81/560834981.db2.gz UQMDTHQFKZXEAR-HNNXBMFYSA-N -1 0 414.874 4.142 50 0 HIAARM CCOc1cc(/C=C2/SC(=O)N(C)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000002972971 560886146 /nfs/dbraw/zinc/88/61/46/560886146.db2.gz UEYSKGSJQJDIIS-WOJGMQOQSA-N -1 0 413.451 4.029 50 0 HIAARM COc1ccc(C2C(=O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(C(=O)[O-])cc2)cc1 ZINC000045941923 568422258 /nfs/dbraw/zinc/42/22/58/568422258.db2.gz RPOZMKGAFFBBEP-JOCHJYFZSA-N -1 0 415.445 4.446 50 0 HIAARM Cc1ccc2cc([C@H]3CC(c4ccco4)=NN3C(=O)CCC(=O)[O-])c(Cl)nc2c1 ZINC000000798793 568483074 /nfs/dbraw/zinc/48/30/74/568483074.db2.gz VNXOUPCRZLYZDK-QGZVFWFLSA-N -1 0 411.845 4.332 50 0 HIAARM COc1ccc(-c2nc3ccccc3n2C(=O)c2ccccc2C(=O)[O-])cc1OC ZINC000000808040 568487839 /nfs/dbraw/zinc/48/78/39/568487839.db2.gz CLUJMXFQLLSXMY-UHFFFAOYSA-N -1 0 402.406 4.107 50 0 HIAARM Cc1[nH]nc(-c2ccc(S(=O)(=O)[N-]c3ccc(-c4ccno4)cc3)s2)c1C ZINC000020991984 568656092 /nfs/dbraw/zinc/65/60/92/568656092.db2.gz BJDLPHGEWYYZTH-UHFFFAOYSA-N -1 0 400.485 4.211 50 0 HIAARM CCOc1cc2c(cc1OCC)[C@H](CC(=O)[O-])N(C(=O)Nc1cccc(F)c1)CC2 ZINC000021044392 568660035 /nfs/dbraw/zinc/66/00/35/568660035.db2.gz MGVQFFGGHXPZLG-SFHVURJKSA-N -1 0 416.449 4.229 50 0 HIAARM CC[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1n[n-]c2ccccc2c1=O ZINC000096012091 568684609 /nfs/dbraw/zinc/68/46/09/568684609.db2.gz HNFMOAHEGAJUFB-GOSISDBHSA-N -1 0 416.525 4.285 50 0 HIAARM COC(=O)c1cc(-c2ccc(C=C(Sc3nc(C)n[nH]3)C(=O)[O-])o2)ccc1Cl ZINC000033332420 568696872 /nfs/dbraw/zinc/69/68/72/568696872.db2.gz IZYGYUJDQINTKP-NVNXTCNLSA-N -1 0 419.846 4.031 50 0 HIAARM CCO[C@@H]1C[C@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)[O-])C1(C)C ZINC000685939842 568722155 /nfs/dbraw/zinc/72/21/55/568722155.db2.gz BKLVLQIOXDIYTD-YKSBVNFPSA-N -1 0 409.482 4.184 50 0 HIAARM Cc1[nH]c(-c2nnc(C3CC3)o2)c(C)c1S(=O)(=O)[N-]c1cccc(C(C)C)c1 ZINC000096379488 568741054 /nfs/dbraw/zinc/74/10/54/568741054.db2.gz ZPIOHJVBGCESSU-UHFFFAOYSA-N -1 0 400.504 4.483 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)c4cccnc4)cc3s2)cc1 ZINC000021883070 568757824 /nfs/dbraw/zinc/75/78/24/568757824.db2.gz UZQBEHADOQGJJB-UHFFFAOYSA-N -1 0 424.507 4.053 50 0 HIAARM CC(C)N1C(=O)S/C(=C\c2cc(Br)cc(Br)c2[O-])C1=O ZINC000000981459 568760338 /nfs/dbraw/zinc/76/03/38/568760338.db2.gz ZPGOGEKHRNMOHY-WMZJFQQLSA-N -1 0 421.110 4.362 50 0 HIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3csc4ccccc34)cc2)no1 ZINC000001055753 568764224 /nfs/dbraw/zinc/76/42/24/568764224.db2.gz ZMPWWCKHMIFILA-UHFFFAOYSA-N -1 0 413.480 4.251 50 0 HIAARM Cc1cnn(CCc2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)c1 ZINC000002731238 568804846 /nfs/dbraw/zinc/80/48/46/568804846.db2.gz XONRVOUUXPXKDE-UHFFFAOYSA-N -1 0 417.901 4.067 50 0 HIAARM Cc1cc([N-]S(=O)(=O)c2ccccc2Br)ccc1Br ZINC000005884630 568828110 /nfs/dbraw/zinc/82/81/10/568828110.db2.gz KYDPAVVOBVYRQK-UHFFFAOYSA-N -1 0 405.111 4.321 50 0 HIAARM CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CSCCC(=O)[O-] ZINC000057476205 568839534 /nfs/dbraw/zinc/83/95/34/568839534.db2.gz MSLBSLVNQWXZLB-UHFFFAOYSA-N -1 0 421.540 4.355 50 0 HIAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c(C(F)(F)F)c1 ZINC000012521053 568841513 /nfs/dbraw/zinc/84/15/13/568841513.db2.gz PRSOPZRKBJRMFB-UHFFFAOYSA-N -1 0 410.776 4.257 50 0 HIAARM Cn1cnnc1Sc1ccccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000012541972 568848787 /nfs/dbraw/zinc/84/87/87/568848787.db2.gz BFKNGXLLFBHXOK-UHFFFAOYSA-N -1 0 402.545 4.065 50 0 HIAARM Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000012557124 568856132 /nfs/dbraw/zinc/85/61/32/568856132.db2.gz BZKWKYIYFGWSBB-UHFFFAOYSA-N -1 0 411.405 4.189 50 0 HIAARM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC(C)C)c(Cl)cc2Cl)c1 ZINC000003277509 568871123 /nfs/dbraw/zinc/87/11/23/568871123.db2.gz HANMJPAPPUERPM-UHFFFAOYSA-N -1 0 401.315 4.241 50 0 HIAARM COc1ccc([C@H]2CC(=O)Oc3ccc(C(=O)c4ccc(Cl)cc4)c([O-])c32)cc1O ZINC000263586940 568881386 /nfs/dbraw/zinc/88/13/86/568881386.db2.gz ZXDKPPBUFGAJHW-MRXNPFEDSA-N -1 0 424.836 4.432 50 0 HIAARM Cc1ccc(C)c(-n2c(S[C@@H](C)C(=O)[O-])nc3sc4c(c3c2=O)CCC4)c1 ZINC000003378561 568891788 /nfs/dbraw/zinc/89/17/88/568891788.db2.gz PYRBFOGFIYZWMU-LBPRGKRZSA-N -1 0 400.525 4.118 50 0 HIAARM Cc1oc2cc(O[C@H](C)C(=O)[O-])ccc2c(=O)c1-c1ccc(Br)cc1 ZINC000003653134 568922719 /nfs/dbraw/zinc/92/27/19/568922719.db2.gz FRWVUKOWTBITIR-LLVKDONJSA-N -1 0 403.228 4.383 50 0 HIAARM O=S(=O)([N-]c1cccc(Cn2cccn2)c1)c1ccc(Cl)cc1C(F)(F)F ZINC000031722502 568929924 /nfs/dbraw/zinc/92/99/24/568929924.db2.gz RNAXVMJUKNXWNQ-UHFFFAOYSA-N -1 0 415.824 4.404 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)c4ccncc4)cc3s2)cc1 ZINC000015729297 568979655 /nfs/dbraw/zinc/97/96/55/568979655.db2.gz QDPWMZSHLJTNGM-UHFFFAOYSA-N -1 0 424.507 4.053 50 0 HIAARM COc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000008188164 568980872 /nfs/dbraw/zinc/98/08/72/568980872.db2.gz YLLLPWWGHRXUHK-CQSZACIVSA-N -1 0 420.918 4.444 50 0 HIAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)Nc1cc(Cl)ccc1C)CC2 ZINC000015781982 569002918 /nfs/dbraw/zinc/00/29/18/569002918.db2.gz CVAMJDMJNHWPRU-QGZVFWFLSA-N -1 0 418.877 4.272 50 0 HIAARM CCCc1c(O)c(C(C)=O)ccc1OCCCCOc1ccc(CC(=O)[O-])cc1 ZINC000036400962 569012782 /nfs/dbraw/zinc/01/27/82/569012782.db2.gz RXERCZYAQUAKCW-UHFFFAOYSA-N -1 0 400.471 4.412 50 0 HIAARM C[C@H]1CCc2sc3c(c2C1)c(=O)n(-c1ccc(Cl)cc1)c1nnc([S-])n31 ZINC000006129894 569014073 /nfs/dbraw/zinc/01/40/73/569014073.db2.gz CHEZOGNWIQJSHO-VIFPVBQESA-N -1 0 402.932 4.162 50 0 HIAARM O=C(NC1CCCCCCC1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006146897 569014593 /nfs/dbraw/zinc/01/45/93/569014593.db2.gz XONCDEOVMDTUPS-UHFFFAOYSA-N -1 0 404.507 4.469 50 0 HIAARM O=S(=O)([O-])CCCN1C=CC(=C/C=C2/C=Nc3ccc(Br)cc32)C=C1 ZINC000334157405 569017558 /nfs/dbraw/zinc/01/75/58/569017558.db2.gz SUBSCIOGDVHJLO-CQPUUCJISA-N -1 0 421.316 4.096 50 0 HIAARM C[C@@](Cc1ccc(O)cc1)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002583022 569024419 /nfs/dbraw/zinc/02/44/19/569024419.db2.gz DRUHZAKWMCLMLZ-VWLOTQADSA-N -1 0 417.461 4.317 50 0 HIAARM CCCCN(CC)c1ncc(NS(=O)(=O)c2cc(C)c(C)cc2C)cc1C(=O)[O-] ZINC000035397504 569035001 /nfs/dbraw/zinc/03/50/01/569035001.db2.gz JXECJJKNEAYVKU-UHFFFAOYSA-N -1 0 419.547 4.132 50 0 HIAARM Cc1nc([N-]S(=O)(=O)c2cc(C)ccc2C)sc1C(=O)Nc1ccccc1 ZINC000006269556 569036173 /nfs/dbraw/zinc/03/61/73/569036173.db2.gz UCMIRAPCCJYAGC-UHFFFAOYSA-N -1 0 401.513 4.121 50 0 HIAARM CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000006362034 569045908 /nfs/dbraw/zinc/04/59/08/569045908.db2.gz IDJNLTBYDBMHDF-NSHDSACASA-N -1 0 401.315 4.323 50 0 HIAARM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000006487878 569059481 /nfs/dbraw/zinc/05/94/81/569059481.db2.gz GRPLVTSHDNIKOW-UHFFFAOYSA-N -1 0 407.797 4.336 50 0 HIAARM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC[C@@H](C)C2)cc1C ZINC000064580633 569068524 /nfs/dbraw/zinc/06/85/24/569068524.db2.gz KBGGDOWONHKVAQ-CQSZACIVSA-N -1 0 402.516 4.039 50 0 HIAARM Cc1cccc(N2CCN(c3ccc(NC(=O)CC(C)C)c(C(=O)[O-])c3)CC2)c1C ZINC000064589786 569069061 /nfs/dbraw/zinc/06/90/61/569069061.db2.gz AWULNTFNTUHVAS-UHFFFAOYSA-N -1 0 409.530 4.313 50 0 HIAARM COc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)cc1O ZINC000064797487 569096600 /nfs/dbraw/zinc/09/66/00/569096600.db2.gz FQTWFWZKLYZGSC-CYBMUJFWSA-N -1 0 413.426 4.441 50 0 HIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1c(C)nn(-c2ccc(C)cc2)c1C ZINC000064947034 569129192 /nfs/dbraw/zinc/12/91/92/569129192.db2.gz MVOUEMNTZSUGCW-UHFFFAOYSA-N -1 0 405.907 4.260 50 0 HIAARM COc1ccc(Cl)cc1NC(=O)c1c(=O)[nH]c2sc3c(c2c1[O-])CC[C@@H](C)C3 ZINC000065150437 569184849 /nfs/dbraw/zinc/18/48/49/569184849.db2.gz DZOMCEWJIVTOJY-SECBINFHSA-N -1 0 418.902 4.334 50 0 HIAARM Cc1nn2c(nc(-c3ccc(Cl)cc3Cl)cc2C(=O)[O-])c1Br ZINC000036615662 569207068 /nfs/dbraw/zinc/20/70/68/569207068.db2.gz FYCNYYPYQKAACS-UHFFFAOYSA-N -1 0 401.047 4.472 50 0 HIAARM COc1ccccc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000007051163 569213514 /nfs/dbraw/zinc/21/35/14/569213514.db2.gz MJXZLCNYDZRRRX-UHFFFAOYSA-N -1 0 416.886 4.402 50 0 HIAARM Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@@H](NC(=O)[C@H]1CC=CCC1)C(=O)[O-] ZINC000170592078 569240988 /nfs/dbraw/zinc/24/09/88/569240988.db2.gz QIQHFQJDZDQVRG-KBXCAEBGSA-N -1 0 421.419 4.106 50 0 HIAARM C/C(=C\C(=O)Nc1ccc(SCC(=O)Nc2ccc(C)c(Cl)c2)cc1)C(=O)[O-] ZINC000013579137 569256309 /nfs/dbraw/zinc/25/63/09/569256309.db2.gz SMPZGUAXMUMAKG-UKTHLTGXSA-N -1 0 418.902 4.349 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3ccc(Cl)cc3)cs2)cc1 ZINC000017051052 569272488 /nfs/dbraw/zinc/27/24/88/569272488.db2.gz KVEBCJVALYPBCB-UHFFFAOYSA-N -1 0 421.931 4.087 50 0 HIAARM O=C([O-])[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1CCOC2(CCC2)C1 ZINC000227174337 569279590 /nfs/dbraw/zinc/27/95/90/569279590.db2.gz KGDURSJCUICWCO-ZHRRBRCNSA-N -1 0 421.493 4.328 50 0 HIAARM O=C([O-])[C@H](CC(=O)c1cccs1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000226814605 569279651 /nfs/dbraw/zinc/27/96/51/569279651.db2.gz UVCJLZJWPCZPOM-IBGZPJMESA-N -1 0 421.474 4.313 50 0 HIAARM CC[C@H](NC(=O)CCc1c(C)c2cc3c(cc2oc1=O)occ3C(C)(C)C)C(=O)[O-] ZINC000002160062 569290575 /nfs/dbraw/zinc/29/05/75/569290575.db2.gz LMLDZFXUEMYLPN-KRWDZBQOSA-N -1 0 413.470 4.057 50 0 biogenic HIAARM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1-n1cccn1)c1ccccc1Cl ZINC000007729042 569303555 /nfs/dbraw/zinc/30/35/55/569303555.db2.gz CGWLUFXQSPNXNX-UHFFFAOYSA-N -1 0 401.797 4.345 50 0 HIAARM Cc1ccc(CNC(=O)C2CCC(Cn3c(=O)c4ccccc4[n-]c3=S)CC2)cc1 ZINC000002975762 569322806 /nfs/dbraw/zinc/32/28/06/569322806.db2.gz PUCGLAWETJVZON-UHFFFAOYSA-N -1 0 421.566 4.490 50 0 HIAARM O=S(=O)([N-]c1nccnc1-c1ccccc1)c1cccc(Br)c1Cl ZINC000253427574 569368446 /nfs/dbraw/zinc/36/84/46/569368446.db2.gz APFJRKAWONURDG-UHFFFAOYSA-N -1 0 424.707 4.360 50 0 HIAARM O=C([O-])CCC(=O)N1N=C(c2ccsc2)C[C@H]1c1cccc(Br)c1 ZINC000253433631 569370581 /nfs/dbraw/zinc/37/05/81/569370581.db2.gz ZOEQSOFTHHRUQA-HNNXBMFYSA-N -1 0 407.289 4.053 50 0 HIAARM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)o1 ZINC000002415105 569397311 /nfs/dbraw/zinc/39/73/11/569397311.db2.gz ZCLCEOWKKQHMNP-ODLFYWEKSA-N -1 0 420.396 4.185 50 0 HIAARM O=C(NC1CCCC1)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000013059039 569408258 /nfs/dbraw/zinc/40/82/58/569408258.db2.gz WJDGYUOHILZBIE-UHFFFAOYSA-N -1 0 413.326 4.467 50 0 HIAARM COc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1ccc(C(C)=O)cc1 ZINC000013358200 569411562 /nfs/dbraw/zinc/41/15/62/569411562.db2.gz JXJMXIWHDGGDPU-UHFFFAOYSA-N -1 0 402.497 4.131 50 0 HIAARM O=C(NC1CCCC1)c1ccccc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000008725668 571108262 /nfs/dbraw/zinc/10/82/62/571108262.db2.gz ZLFCNDPFBLCBNW-UHFFFAOYSA-N -1 0 412.433 4.179 50 0 HIAARM CC[C@@H](c1nnc(S[C@H](C(=O)[O-])c2ccccc2)n1Cc1ccccc1)N(C)C ZINC000008748060 571111481 /nfs/dbraw/zinc/11/14/81/571111481.db2.gz JCWMCGPBKCOIPT-OALUTQOASA-N -1 0 410.543 4.257 50 0 HIAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc(C)c2)cc1 ZINC000008836423 571123193 /nfs/dbraw/zinc/12/31/93/571123193.db2.gz HDWKGLMODXWXFQ-UHFFFAOYSA-N -1 0 420.494 4.491 50 0 HIAARM Cc1ccc2c(c1)N(C)C(=O)c1cc([N-]S(=O)(=O)c3ccccc3F)ccc1O2 ZINC000008961456 571189741 /nfs/dbraw/zinc/18/97/41/571189741.db2.gz RZRCTAYNEBXCHQ-UHFFFAOYSA-N -1 0 412.442 4.317 50 0 HIAARM CN(C(=O)Cc1c2cc(Cl)ccc2[nH]c1C(=O)[O-])c1ccc(Br)cc1 ZINC000009560569 571268432 /nfs/dbraw/zinc/26/84/32/571268432.db2.gz PGYMELVSAYGXRT-UHFFFAOYSA-N -1 0 421.678 4.488 50 0 HIAARM CCc1ccccc1[N-]S(=O)(=O)c1c(C)n(C)c(C)c1C(=O)N1CCCCCC1 ZINC000009685293 571279873 /nfs/dbraw/zinc/27/98/73/571279873.db2.gz CGSAQVFACXRKHU-UHFFFAOYSA-N -1 0 417.575 4.021 50 0 HIAARM Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c(C)n1C ZINC000009685346 571279880 /nfs/dbraw/zinc/27/98/80/571279880.db2.gz KAUMZKBGMKFHRN-UHFFFAOYSA-N -1 0 417.575 4.076 50 0 HIAARM O=C([O-])/C(=C\c1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000013068756 845904381 /nfs/dbraw/zinc/90/43/81/845904381.db2.gz OBDIDXORYYESOY-QINSGFPZSA-N -1 0 411.932 4.201 50 0 HIAARM COC(=O)c1ccc(COc2ccc(C=NNc3cccc(C(=O)[O-])c3)cc2)cc1 ZINC000013139239 845906045 /nfs/dbraw/zinc/90/60/45/845906045.db2.gz OJTNNIORKFGHBT-UHFFFAOYSA-N -1 0 404.422 4.196 50 0 HIAARM Cc1ccc(OCC(=O)[O-])c2c1[C@@H](C)/C(=C\c1cnn(Cc3ccccc3)c1)C2=O ZINC000024368813 846818350 /nfs/dbraw/zinc/81/83/50/846818350.db2.gz UJOWNNFQLUECKI-JJLFXSABSA-N -1 0 402.450 4.087 50 0 HIAARM CCOC(=O)/C=C\c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000098002065 852648953 /nfs/dbraw/zinc/64/89/53/852648953.db2.gz MJGSXROUJZMELS-YHYXMXQVSA-N -1 0 400.283 4.371 50 0 HIAARM COc1ccc(C(=O)NN=C(C)CCc2ccc3oc(C(=O)[O-])c(C)c3c2)cc1OC ZINC000254289025 854209476 /nfs/dbraw/zinc/20/94/76/854209476.db2.gz CTVYMLZDXBZRAS-UHFFFAOYSA-N -1 0 424.453 4.195 50 0 HIAARM CC(N=Nc1c(Cl)c(Cl)nc(C(=O)[O-])c1Cl)c1ccc2c(c1)OCO2 ZINC000254589063 854212423 /nfs/dbraw/zinc/21/24/23/854212423.db2.gz BQTFLYXGXQLQBR-UHFFFAOYSA-N -1 0 402.621 4.305 50 0 HIAARM O=[N+]([O-])c1ccccc1NN=Cc1cc(Br)c([O-])c(Br)c1 ZINC000254571534 854212717 /nfs/dbraw/zinc/21/27/17/854212717.db2.gz BICLEZKWWXYRBZ-UHFFFAOYSA-N -1 0 415.041 4.271 50 0 HIAARM C[C@H]1CCCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000005030093 132298922 /nfs/dbraw/zinc/29/89/22/132298922.db2.gz VFCQVHRRHUJLQE-AWEZNQCLSA-N -1 0 416.934 4.320 50 0 HIAARM CCC(Nc1ccc(N(CC)CC)cc1)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000008974301 132334401 /nfs/dbraw/zinc/33/44/01/132334401.db2.gz VHTRIXMEVPVUTH-XUTLUUPISA-N -1 0 420.513 4.200 50 0 HIAARM CCc1ccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000020532752 523992334 /nfs/dbraw/zinc/99/23/34/523992334.db2.gz AXYPSXQCYOZBSZ-UHFFFAOYSA-N -1 0 415.902 4.351 50 0 HIAARM COc1ccc(OC)c([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(F)cc4)c32)c1 ZINC000040286641 524894476 /nfs/dbraw/zinc/89/44/76/524894476.db2.gz IFQODDZNLJECDK-INIZCTEOSA-N -1 0 410.401 4.455 50 0 HIAARM COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(F)c4)c32)cc1OC ZINC000044903828 525239345 /nfs/dbraw/zinc/23/93/45/525239345.db2.gz QBGIYGREXLHYBR-HNNXBMFYSA-N -1 0 410.401 4.455 50 0 HIAARM Cc1ccc(-c2csc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])c2C(=O)NC2CC2)cc1 ZINC000017093994 525783011 /nfs/dbraw/zinc/78/30/11/525783011.db2.gz VARVAZSUPMVEOI-SJORKVTESA-N -1 0 424.522 4.221 50 0 HIAARM O=C([O-])c1ccc(CNC(=O)Cn2ccc3ccc(OCc4ccccc4)cc32)cc1 ZINC000040268048 526366140 /nfs/dbraw/zinc/36/61/40/526366140.db2.gz YJMJPYBUCYRRJE-UHFFFAOYSA-N -1 0 414.461 4.235 50 0 HIAARM O=C([O-])c1ccc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccc(Cl)cc2F)cc1 ZINC000040287274 526376801 /nfs/dbraw/zinc/37/68/01/526376801.db2.gz CDXBGQPHJJJVPP-SFHVURJKSA-N -1 0 414.824 4.080 50 0 HIAARM O=C(Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(F)ccc1F)c1ccco1 ZINC000032098314 527112334 /nfs/dbraw/zinc/11/23/34/527112334.db2.gz IZFZEHOHLCOOGO-UHFFFAOYSA-N -1 0 412.801 4.264 50 0 HIAARM O=S(=O)([N-]c1ccccc1-n1cc(Br)cn1)c1ccccc1Cl ZINC000032926312 527255200 /nfs/dbraw/zinc/25/52/00/527255200.db2.gz NHHFFECDJJZHHT-UHFFFAOYSA-N -1 0 412.696 4.089 50 0 HIAARM CCCCC(=O)Nc1ccc(N2CCN(c3ccc(Cl)cc3)CC2)c(C(=O)[O-])c1 ZINC000033078516 534955532 /nfs/dbraw/zinc/95/55/32/534955532.db2.gz YKENGDKJMNBTMP-UHFFFAOYSA-N -1 0 415.921 4.494 50 0 HIAARM O=C([O-])c1ccc(NC(=O)c2cccc(NC(=O)CSc3ccccc3)c2)cc1 ZINC000000693037 557061176 /nfs/dbraw/zinc/06/11/76/557061176.db2.gz RNMXMGGJFXFTFE-UHFFFAOYSA-N -1 0 406.463 4.368 50 0 HIAARM Cc1nc2sc([C@@H](c3cccc(Br)c3)N3CCC(C)CC3)c([O-])n2n1 ZINC000022626136 557080492 /nfs/dbraw/zinc/08/04/92/557080492.db2.gz RQDPGPDJMZMNPT-OAHLLOKOSA-N -1 0 421.364 4.389 50 0 HIAARM O=C([O-])C[C@@H](CC(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccccc1 ZINC000001032819 557148224 /nfs/dbraw/zinc/14/82/24/557148224.db2.gz GHAINZBBGUFURP-OAHLLOKOSA-N -1 0 417.387 4.478 50 0 HIAARM CCOc1ccc2nc([N-]S(=O)(=O)c3ccc(Br)cc3)sc2c1 ZINC000001114742 557186290 /nfs/dbraw/zinc/18/62/90/557186290.db2.gz VXMSAGXTAQYWBF-UHFFFAOYSA-N -1 0 413.318 4.258 50 0 HIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc(Cl)c3)cc2)no1 ZINC000001139150 557202635 /nfs/dbraw/zinc/20/26/35/557202635.db2.gz GSPHDOMDBULHHY-BJMVGYQFSA-N -1 0 417.874 4.089 50 0 HIAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000001146454 557208175 /nfs/dbraw/zinc/20/81/75/557208175.db2.gz PVRINASXUIRUPL-UHFFFAOYSA-N -1 0 414.458 4.196 50 0 HIAARM O=C([O-])c1ccc(NC(=O)c2ccccc2NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000001163631 557219592 /nfs/dbraw/zinc/21/95/92/557219592.db2.gz PZZPNVLOWGWYIW-UHFFFAOYSA-N -1 0 408.841 4.472 50 0 HIAARM COc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1 ZINC000001515426 557271080 /nfs/dbraw/zinc/27/10/80/557271080.db2.gz GWUVARKMVGLDTK-UHFFFAOYSA-N -1 0 406.467 4.183 50 0 HIAARM CCOC(=O)[C@@]([N-]c1ccccc1Cl)(NC(=O)c1ccccc1)C(F)(F)F ZINC000002050627 557300954 /nfs/dbraw/zinc/30/09/54/557300954.db2.gz ZOMUBKIGHJJRLA-QGZVFWFLSA-N -1 0 400.784 4.004 50 0 HIAARM CCOC(=O)[C@]([N-]c1ccccc1Cl)(NC(=O)c1ccccc1)C(F)(F)F ZINC000002050628 557300962 /nfs/dbraw/zinc/30/09/62/557300962.db2.gz ZOMUBKIGHJJRLA-KRWDZBQOSA-N -1 0 400.784 4.004 50 0 HIAARM O=S(=O)([N-]c1nc2ccccc2nc1NCCc1ccccc1)c1cccs1 ZINC000002407317 557345223 /nfs/dbraw/zinc/34/52/23/557345223.db2.gz WLFVPBGLAOBZMJ-UHFFFAOYSA-N -1 0 410.524 4.147 50 0 HIAARM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCCCCC2)ccc1Cl ZINC000002883508 557420703 /nfs/dbraw/zinc/42/07/03/557420703.db2.gz GTGVFUSTPPIGJS-UHFFFAOYSA-N -1 0 406.935 4.465 50 0 HIAARM O=C([O-])c1cc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)ccc1Cl ZINC000004845062 557605486 /nfs/dbraw/zinc/60/54/86/557605486.db2.gz HQFFCDABZJBLRZ-UHFFFAOYSA-N -1 0 403.674 4.472 50 0 HIAARM Cc1nn(Cc2cccc3ccccc32)c(C)c1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000002764804 557756619 /nfs/dbraw/zinc/75/66/19/557756619.db2.gz GFPUPPMPKXZCLD-NHCUHLMSSA-N -1 0 403.482 4.307 50 0 HIAARM CCOc1ccc2nc([N-]C(NC(C)=O)(C(F)(F)F)C(F)(F)F)sc2c1 ZINC000009090024 557822644 /nfs/dbraw/zinc/82/26/44/557822644.db2.gz VADFEKVFGJIIKL-UHFFFAOYSA-N -1 0 401.332 4.064 50 0 HIAARM O=c1[n-]c(=S)n(-c2cccc(Cl)c2)c2c1CN(CCCc1ccccc1)CN2 ZINC000020522056 558383609 /nfs/dbraw/zinc/38/36/09/558383609.db2.gz AGAMPWXMQOFIJC-UHFFFAOYSA-N -1 0 412.946 4.366 50 0 HIAARM CCn1c(SCC(=O)Nc2ccccc2C(=O)[O-])nnc1-c1cc2ccccc2o1 ZINC000010681833 558386075 /nfs/dbraw/zinc/38/60/75/558386075.db2.gz MLMJKIUDDLRJCV-UHFFFAOYSA-N -1 0 422.466 4.140 50 0 HIAARM O=C([O-])c1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccccc2F)cc1 ZINC000020619385 558394133 /nfs/dbraw/zinc/39/41/33/558394133.db2.gz CMAIGLJSOJKNCZ-LVWGJNHUSA-N -1 0 418.380 4.460 50 0 HIAARM COc1ccc(-c2cc(C(F)F)c3c(C4CC4)nn(CC(=O)[O-])c3n2)cc1OC ZINC000012395336 558397258 /nfs/dbraw/zinc/39/72/58/558397258.db2.gz DWPDHDJVYJRAQI-UHFFFAOYSA-N -1 0 403.385 4.015 50 0 HIAARM Cc1nc(-c2ccccc2)sc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000020719740 558402568 /nfs/dbraw/zinc/40/25/68/558402568.db2.gz KDXNUTYVXWILAE-SFHVURJKSA-N -1 0 405.479 4.026 50 0 HIAARM O=C([O-])c1cccc(NC(=O)/C(=C\C=C\c2ccccc2)NC(=O)c2ccccc2)c1 ZINC000013520776 558536492 /nfs/dbraw/zinc/53/64/92/558536492.db2.gz MBAWBYVTCDXOIY-FGLICBMKSA-N -1 0 412.445 4.351 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(N2Cc3ccccc3C2=N)ccc1C ZINC000025329904 558638422 /nfs/dbraw/zinc/63/84/22/558638422.db2.gz QOPHNZSNXCBVBZ-UHFFFAOYSA-N -1 0 407.495 4.150 50 0 HIAARM Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(=O)[O-])c2)cc1C ZINC000016345332 558787076 /nfs/dbraw/zinc/78/70/76/558787076.db2.gz NVESVIASOAIPMQ-UHFFFAOYSA-N -1 0 424.478 4.055 50 0 HIAARM C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1CC31N=N1 ZINC000038600466 558813219 /nfs/dbraw/zinc/81/32/19/558813219.db2.gz BIWRCOKXOIIZPU-JHMCBHKWSA-N -1 0 418.578 4.250 50 0 in-vitro HIAARM Cc1sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c(C(=O)NC2CCCCC2)c1C ZINC000017082916 558815389 /nfs/dbraw/zinc/81/53/89/558815389.db2.gz FWNTWITZXKBSSG-HZPDHXFCSA-N -1 0 404.532 4.033 50 0 HIAARM Cc1sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c(C(N)=O)c1-c1ccc(C)c(C)c1 ZINC000017089217 558817902 /nfs/dbraw/zinc/81/79/02/558817902.db2.gz FWSGCUNFSUMKHZ-CVEARBPZSA-N -1 0 412.511 4.045 50 0 HIAARM CC(=O)c1cccc(NC(=O)c2ccsc2NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000017089849 558818409 /nfs/dbraw/zinc/81/84/09/558818409.db2.gz KPKVUUNAYPISBG-CVEARBPZSA-N -1 0 414.483 4.033 50 0 HIAARM COc1cccc(NC(=O)c2c(NC(=O)CCC(=O)[O-])sc3c2CCCCC3)c1 ZINC000017090670 558819315 /nfs/dbraw/zinc/81/93/15/558819315.db2.gz XABNMMPEFJIHEE-UHFFFAOYSA-N -1 0 416.499 4.081 50 0 HIAARM Cc1sc(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])c(C(=O)NC2CCCC2)c1C ZINC000017091522 558820091 /nfs/dbraw/zinc/82/00/91/558820091.db2.gz AFNZTKVOARLELF-PCHAPFSGSA-N -1 0 418.559 4.113 50 0 HIAARM Cc1cccc(NC(=O)c2c3c(sc2NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])CCC3)c1 ZINC000017094003 558822343 /nfs/dbraw/zinc/82/23/43/558822343.db2.gz DAKDRZPZWWASAW-HOTGVXAUSA-N -1 0 424.522 4.403 50 0 HIAARM O=C([O-])COc1ccc(CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC000113918246 558825369 /nfs/dbraw/zinc/82/53/69/558825369.db2.gz AXITYCQIAPIYHW-UHFFFAOYSA-N -1 0 417.461 4.231 50 0 HIAARM Cc1ccc(OCc2ccc(F)cc2)c(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1 ZINC000001137253 558836310 /nfs/dbraw/zinc/83/63/10/558836310.db2.gz NLKBGCNARZZRDD-KGENOOAVSA-N -1 0 402.425 4.175 50 0 HIAARM CC(C)CN(CC(C)C)c1ccc(NS(=O)(=O)c2ccccc2)cc1C(=O)[O-] ZINC000033253579 558921774 /nfs/dbraw/zinc/92/17/74/558921774.db2.gz GXCGYXMDLCYHNG-UHFFFAOYSA-N -1 0 404.532 4.304 50 0 HIAARM CCCN(CCC)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(F)ccc1C ZINC000033253931 558922295 /nfs/dbraw/zinc/92/22/95/558922295.db2.gz WFMXMXUCLFOGCN-UHFFFAOYSA-N -1 0 408.495 4.260 50 0 HIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)o1 ZINC000033263923 558969134 /nfs/dbraw/zinc/96/91/34/558969134.db2.gz MVAXVPBNMRDJIX-UHFFFAOYSA-N -1 0 422.768 4.416 50 0 HIAARM Cc1nc2sc([C@H](c3ccc(Br)cc3)N3CCC[C@@H](C)C3)c([O-])n2n1 ZINC000023157001 559022019 /nfs/dbraw/zinc/02/20/19/559022019.db2.gz LARRQCYFTYEJDE-ABAIWWIYSA-N -1 0 421.364 4.389 50 0 HIAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2cc(C)[nH]n2)c1 ZINC000033306686 559051644 /nfs/dbraw/zinc/05/16/44/559051644.db2.gz GIOFCMUGUTWKPV-UHFFFAOYSA-N -1 0 419.528 4.041 50 0 HIAARM O=S(=O)([N-]c1cccc(F)c1)c1ccccc1-c1nc(-c2cccc(F)c2)no1 ZINC000033307159 559052021 /nfs/dbraw/zinc/05/20/21/559052021.db2.gz MFVOZRJUQDFLDK-UHFFFAOYSA-N -1 0 413.405 4.483 50 0 HIAARM Cc1nn(-c2ccc(-c3ccccc3)nn2)c(C)c1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000033308022 559052254 /nfs/dbraw/zinc/05/22/54/559052254.db2.gz NYZGOXJPZZZYDY-UHFFFAOYSA-N -1 0 419.510 4.055 50 0 HIAARM CC(C)Cn1c(=O)c(C(=O)Nc2nc3ccc(F)cc3s2)c([O-])c2ccccc21 ZINC000100658453 559137509 /nfs/dbraw/zinc/13/75/09/559137509.db2.gz QHLLIWYKTGCSKN-UHFFFAOYSA-N -1 0 411.458 4.364 50 0 HIAARM Cc1ccccc1N1Oc2c(O)n(-c3ccc(F)cc3)c(O)c2[C@@H]1c1ccccc1 ZINC000101084850 559143168 /nfs/dbraw/zinc/14/31/68/559143168.db2.gz NYINATMVWNAHFI-FKBYEOEOSA-N -1 0 402.425 4.185 50 0 HIAARM Cc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N2CCOCC2)c(C)s1 ZINC000024070301 559189598 /nfs/dbraw/zinc/18/95/98/559189598.db2.gz MHMMOQXMORZJQK-UHFFFAOYSA-N -1 0 420.478 4.021 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCc2ccco2)cc1C ZINC000017248098 560704970 /nfs/dbraw/zinc/70/49/70/560704970.db2.gz OWRDOMVJZNZUEJ-UHFFFAOYSA-N -1 0 408.483 4.253 50 0 aggregator HIAARM CCCCOc1ccc(OCCSc2nc3ccccc3n2CC(=O)[O-])cc1 ZINC000169312687 560762976 /nfs/dbraw/zinc/76/29/76/560762976.db2.gz IGVCHEQLLDIWJF-UHFFFAOYSA-N -1 0 400.500 4.471 50 0 HIAARM Cc1nc([N-]S(=O)(=O)c2ccc(C)cc2)sc1NC(=O)Oc1ccccc1 ZINC000005684173 560781551 /nfs/dbraw/zinc/78/15/51/560781551.db2.gz GWTLBSSOTKVBIP-UHFFFAOYSA-N -1 0 403.485 4.172 50 0 HIAARM O=C(Nc1cccc(Cl)c1)c1c([O-])c2cccnc2n(-c2cccc(F)c2)c1=O ZINC000101722322 560798814 /nfs/dbraw/zinc/79/88/14/560798814.db2.gz SJYOVBYRWXPEKL-UHFFFAOYSA-N -1 0 409.804 4.136 50 0 HIAARM Cc1cc(C)cc(NC(=O)c2c([O-])c3cccnc3n(-c3ccc(F)cc3)c2=O)c1 ZINC000101723213 560799165 /nfs/dbraw/zinc/79/91/65/560799165.db2.gz GRQBRTKSWVWRGO-UHFFFAOYSA-N -1 0 403.413 4.100 50 0 HIAARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1CCC(=O)N1CCCC1 ZINC000101833144 560803176 /nfs/dbraw/zinc/80/31/76/560803176.db2.gz CETZEDQANJUNDL-UHFFFAOYSA-N -1 0 416.934 4.218 50 0 HIAARM O=C([O-])c1cc(Br)ccc1NC(=O)COc1ccc(Cl)cc1Cl ZINC000013188368 560803885 /nfs/dbraw/zinc/80/38/85/560803885.db2.gz ANWNQBQGJVQITO-UHFFFAOYSA-N -1 0 419.058 4.472 50 0 HIAARM Cc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccccc2Cl)cc1C ZINC000102901341 560834932 /nfs/dbraw/zinc/83/49/32/560834932.db2.gz TZFZAEITCRLANA-IBGZPJMESA-N -1 0 422.872 4.389 50 0 HIAARM COc1ccc(F)cc1[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000309999350 560861614 /nfs/dbraw/zinc/86/16/14/560861614.db2.gz DEUPXRICVATOPH-QFIPXVFZSA-N -1 0 421.424 4.499 50 0 HIAARM CCCn1nc(C)cc1CN(C)c1ccc(NC(=O)c2ccccc2C)cc1C(=O)[O-] ZINC000046053638 568425368 /nfs/dbraw/zinc/42/53/68/568425368.db2.gz VBXJNVFAURAKBK-UHFFFAOYSA-N -1 0 420.513 4.497 50 0 HIAARM C[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)c1ccccc1Br ZINC000047931919 568431601 /nfs/dbraw/zinc/43/16/01/568431601.db2.gz NCIPMCGGPOVXSA-VIFPVBQESA-N -1 0 404.289 4.251 50 0 HIAARM Cc1ccc2c(ncc(C(=O)N3CCCC[C@H]3C)c2Nc2ccc(CC(=O)[O-])cc2)n1 ZINC000049005282 568444436 /nfs/dbraw/zinc/44/44/36/568444436.db2.gz PZTSBFAVEHHUGT-MRXNPFEDSA-N -1 0 418.497 4.324 50 0 HIAARM Cc1nc(-c2cccc(NC(=O)Cc3csc([N-]c4ncccn4)n3)c2)cs1 ZINC000049029427 568445691 /nfs/dbraw/zinc/44/56/91/568445691.db2.gz HGOOIJNWKRPXOG-UHFFFAOYSA-N -1 0 408.512 4.290 50 0 HIAARM COc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4Cl)c32)cc1O ZINC000049547968 568451563 /nfs/dbraw/zinc/45/15/63/568451563.db2.gz ARZHRZLHUSZBBZ-GFCCVEGCSA-N -1 0 412.829 4.017 50 0 HIAARM COc1cc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4Cl)c32)ccc1O ZINC000049548268 568451675 /nfs/dbraw/zinc/45/16/75/568451675.db2.gz QWWZBALILJUXFO-GFCCVEGCSA-N -1 0 412.829 4.017 50 0 HIAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1F ZINC000000627287 568456085 /nfs/dbraw/zinc/45/60/85/568456085.db2.gz YKIQTSJVZSMPJZ-KBPBESRZSA-N -1 0 402.397 4.047 50 0 HIAARM CCC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2s1 ZINC000033007536 568510286 /nfs/dbraw/zinc/51/02/86/568510286.db2.gz XVYHHPQDRPYMTL-UHFFFAOYSA-N -1 0 401.922 4.161 50 0 HIAARM COc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000020143622 568590511 /nfs/dbraw/zinc/59/05/11/568590511.db2.gz XGKIDMCZEXOSBP-UHFFFAOYSA-N -1 0 415.401 4.419 50 0 HIAARM CCOc1cccc(S(=O)(=O)[N-]c2noc(-c3ccccc3)c2Br)c1 ZINC000225392035 568633781 /nfs/dbraw/zinc/63/37/81/568633781.db2.gz VXLINIDJAHDOJG-UHFFFAOYSA-N -1 0 423.288 4.304 50 0 HIAARM O=C([O-])c1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccccc2)cc1 ZINC000020616635 568638355 /nfs/dbraw/zinc/63/83/55/568638355.db2.gz DSBSRBNOUFKMKN-LVWGJNHUSA-N -1 0 400.390 4.321 50 0 HIAARM O=C([O-])CCC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccc(Br)cc1 ZINC000225496339 568643298 /nfs/dbraw/zinc/64/32/98/568643298.db2.gz RFLJDNMQBBYTTI-KRWDZBQOSA-N -1 0 419.250 4.131 50 0 HIAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000095969917 568671289 /nfs/dbraw/zinc/67/12/89/568671289.db2.gz LHZYLOFVJLTPND-MRXNPFEDSA-N -1 0 404.447 4.208 50 0 HIAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3onc(C)c3C)sc2C)c1 ZINC000096323521 568732220 /nfs/dbraw/zinc/73/22/20/568732220.db2.gz ZWPUEHHXVXNFTB-UHFFFAOYSA-N -1 0 420.512 4.306 50 0 HIAARM COc1ccc(-c2cc3ncc(C(=O)c4cc(Br)ccc4[O-])cn3n2)cc1 ZINC000021729288 568751862 /nfs/dbraw/zinc/75/18/62/568751862.db2.gz LVWAHYNAHWNKFB-UHFFFAOYSA-N -1 0 424.254 4.104 50 0 HIAARM CCOC(=O)c1c(N)nc([N-]c2nc(C)c3ccc(C)cc3n2)nc1-c1ccccc1 ZINC000000987118 568760673 /nfs/dbraw/zinc/76/06/73/568760673.db2.gz FHMKZOVFNITBSM-UHFFFAOYSA-N -1 0 414.469 4.206 50 0 HIAARM O=C([O-])c1cccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000096564603 568760782 /nfs/dbraw/zinc/76/07/82/568760782.db2.gz DWCBDYVQBLPGHQ-UHFFFAOYSA-N -1 0 415.854 4.123 50 0 HIAARM CCOc1cc2c(cc1NC(=O)Cn1c(=S)[nH]nc1-c1cccc(C)c1)O[C@H](C)C2 ZINC000029129535 568820884 /nfs/dbraw/zinc/82/08/84/568820884.db2.gz AZNNUJJUTPCLHT-CQSZACIVSA-N -1 0 424.526 4.277 50 0 HIAARM Cn1cnnc1Sc1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000012526094 568843065 /nfs/dbraw/zinc/84/30/65/568843065.db2.gz RPCUWPZMFGFIDE-UHFFFAOYSA-N -1 0 415.327 4.074 50 0 HIAARM C[C@@H]1CCCN(C(=O)c2ccc3c(c2)[n-]c(=S)n(CCC2=CCCCC2)c3=O)C1 ZINC000003043774 568848242 /nfs/dbraw/zinc/84/82/42/568848242.db2.gz JNVASGAZGAPHHP-MRXNPFEDSA-N -1 0 411.571 4.448 50 0 HIAARM C[C@@](CC(=O)Nc1c(-c2ccccc2)nc2sccn21)(C(=O)[O-])c1ccccc1 ZINC000012550505 568853233 /nfs/dbraw/zinc/85/32/33/568853233.db2.gz DUQQDZJVWLSZEC-QFIPXVFZSA-N -1 0 405.479 4.434 50 0 HIAARM O=C([O-])c1ccc(-c2ccc([C@@H]3CC(=O)Oc4c5ccccc5oc(=O)c43)o2)cc1 ZINC000217914110 568919641 /nfs/dbraw/zinc/91/96/41/568919641.db2.gz QJGOUNSNYCOLNY-HNNXBMFYSA-N -1 0 402.358 4.192 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)cc1 ZINC000003841539 568927493 /nfs/dbraw/zinc/92/74/93/568927493.db2.gz NISQINBTCBKGQP-UHFFFAOYSA-N -1 0 404.391 4.231 50 0 HIAARM Cc1nc(-n2[n-]c(C)c(Cc3ccccc3)c2=O)sc1C(=O)NCc1ccccc1 ZINC000015671501 568961979 /nfs/dbraw/zinc/96/19/79/568961979.db2.gz VGXQVIMIEDEMPE-UHFFFAOYSA-N -1 0 418.522 4.172 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC)cc1 ZINC000008033635 568969443 /nfs/dbraw/zinc/96/94/43/568969443.db2.gz XNSKGXZTCMIVSD-UHFFFAOYSA-N -1 0 418.515 4.023 50 0 HIAARM O=C(Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1)c1ccccc1 ZINC000015862117 569015823 /nfs/dbraw/zinc/01/58/23/569015823.db2.gz IANFEPHJNLXLTA-UHFFFAOYSA-N -1 0 409.492 4.349 50 0 HIAARM CC[C@H](Cc1ccc(C(=O)NCc2ccc(OC)cc2C(F)(F)F)cc1)C(=O)[O-] ZINC000575440733 569027852 /nfs/dbraw/zinc/02/78/52/569027852.db2.gz VPAHYLNIDWFBPW-CQSZACIVSA-N -1 0 409.404 4.297 50 0 in-vitro HIAARM COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(F)cc1 ZINC000006184258 569029096 /nfs/dbraw/zinc/02/90/96/569029096.db2.gz RUWHKNGGYSLPRX-CABCVRRESA-N -1 0 419.474 4.479 50 0 HIAARM CCCN(CCC)c1ncc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1C(=O)[O-] ZINC000035397373 569034842 /nfs/dbraw/zinc/03/48/42/569034842.db2.gz FCCURHNPWJNJKM-UHFFFAOYSA-N -1 0 419.547 4.132 50 0 HIAARM O=C([N-]c1nncs1)c1nc(-c2cccs2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000013003735 569049374 /nfs/dbraw/zinc/04/93/74/569049374.db2.gz ZUMCJOHGUWRWLU-UHFFFAOYSA-N -1 0 422.417 4.118 50 0 HIAARM Cc1c2ccc(OCc3ccccc3Br)c(C)c2oc(=O)c1CC(=O)[O-] ZINC000009034032 569061286 /nfs/dbraw/zinc/06/12/86/569061286.db2.gz UDVCXTJFAHGQIZ-UHFFFAOYSA-N -1 0 417.255 4.378 50 0 HIAARM CCCn1nc(C)cc1CN(C)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc(C)cc1 ZINC000064820327 569102500 /nfs/dbraw/zinc/10/25/00/569102500.db2.gz NUIPWTAJKSBRRG-UHFFFAOYSA-N -1 0 420.513 4.497 50 0 HIAARM CCOc1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(OC)cc3)n2)cc1OC ZINC000006749004 569108819 /nfs/dbraw/zinc/10/88/19/569108819.db2.gz BWBIBOJBCOZWMU-UHFFFAOYSA-N -1 0 419.437 4.406 50 0 HIAARM COc1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccccc3)n2)c(OC)c1OC ZINC000006748966 569108823 /nfs/dbraw/zinc/10/88/23/569108823.db2.gz WAQWVORCOSXLIY-UHFFFAOYSA-N -1 0 405.410 4.016 50 0 HIAARM COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000064979404 569140364 /nfs/dbraw/zinc/14/03/64/569140364.db2.gz RCNGYEFUAHFIFS-UHFFFAOYSA-N -1 0 412.389 4.478 50 0 HIAARM COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)[N-]c1cccc(Br)c1 ZINC000064979494 569140763 /nfs/dbraw/zinc/14/07/63/569140763.db2.gz JECULAKUCDLNED-UHFFFAOYSA-N -1 0 423.288 4.222 50 0 HIAARM O=C([O-])c1sc2c(c1-c1ccccc1Cl)NC(=O)C[C@@]21C(=O)Nc2ccccc21 ZINC000036353947 569147931 /nfs/dbraw/zinc/14/79/31/569147931.db2.gz OCJPYYGVVKAXOW-NRFANRHFSA-N -1 0 424.865 4.347 50 0 HIAARM O=C(Nc1cccc(OC(F)(F)F)c1)c1c(=O)[nH]c2sc3c(c2c1[O-])CCCC3 ZINC000065150384 569184858 /nfs/dbraw/zinc/18/48/58/569184858.db2.gz OUTZJOCUFSPUBO-UHFFFAOYSA-N -1 0 424.400 4.325 50 0 HIAARM CSc1cccc(NC(=O)c2c(=O)[nH]c3sc4c(c3c2[O-])CC[C@H](C)C4)c1 ZINC000065150481 569184873 /nfs/dbraw/zinc/18/48/73/569184873.db2.gz CWQOMSFHAIOMGE-JTQLQIEISA-N -1 0 400.525 4.394 50 0 HIAARM COc1cc2c(cc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1)oc1ccccc12 ZINC000007056389 569214499 /nfs/dbraw/zinc/21/44/99/569214499.db2.gz XXAIZRXKFNSDOJ-UHFFFAOYSA-N -1 0 410.451 4.354 50 0 HIAARM CCOC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1ccccc1OC ZINC000007428267 569238402 /nfs/dbraw/zinc/23/84/02/569238402.db2.gz PRVZVNIWLGOVGH-UHFFFAOYSA-N -1 0 409.460 4.027 50 0 HIAARM Cc1cc(C)cc(Nc2nc(Nc3cc(C)cc(C)c3)nc(N[C@H](C)C(=O)[O-])n2)c1 ZINC000007498933 569242710 /nfs/dbraw/zinc/24/27/10/569242710.db2.gz VZMCYZNFPRRNOP-MRXNPFEDSA-N -1 0 406.490 4.477 50 0 HIAARM Cn1cnc(S(=O)(=O)[N-]c2ccc(NCc3ccccc3)c(Cl)c2)c1Cl ZINC000170624521 569249466 /nfs/dbraw/zinc/24/94/66/569249466.db2.gz QCPQEFZWKPQGIB-UHFFFAOYSA-N -1 0 411.314 4.140 50 0 HIAARM C/C(=C\C(=O)Nc1ccc(SCC(=O)Nc2cc(Cl)ccc2C)cc1)C(=O)[O-] ZINC000013579135 569256345 /nfs/dbraw/zinc/25/63/45/569256345.db2.gz LSCJIIHBZVTHQV-UKTHLTGXSA-N -1 0 418.902 4.349 50 0 HIAARM O=C([O-])[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]([C@H]2CCCO2)C1 ZINC000675069166 569260574 /nfs/dbraw/zinc/26/05/74/569260574.db2.gz CMGFCALTFRYOFS-UZFJHSOTSA-N -1 0 421.493 4.280 50 0 HIAARM CCOC(=O)c1c(-c2cccs2)csc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000007779734 569309324 /nfs/dbraw/zinc/30/93/24/569309324.db2.gz OVFNGQQOWPAJQD-VXGBXAGGSA-N -1 0 405.497 4.259 50 0 HIAARM CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000002224755 569313619 /nfs/dbraw/zinc/31/36/19/569313619.db2.gz BDBOUSQWEIGXKN-UHFFFAOYSA-N -1 0 406.891 4.344 50 0 HIAARM O=C([O-])c1cnn(-c2nc(-c3ccc(Br)cc3)cs2)c1C(F)(F)F ZINC000008873111 569390743 /nfs/dbraw/zinc/39/07/43/569390743.db2.gz SNYYKGXIHDHQJO-UHFFFAOYSA-N -1 0 418.194 4.475 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCc2ccco2)c(C)c1 ZINC000002440558 569400596 /nfs/dbraw/zinc/40/05/96/569400596.db2.gz PCBKMFMZWDQXCM-UHFFFAOYSA-N -1 0 408.483 4.253 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(NC(=O)NCC(C)C)ccc3s2)cc1 ZINC000013347635 569410889 /nfs/dbraw/zinc/41/08/89/569410889.db2.gz FPKLCFYWDQBBDC-UHFFFAOYSA-N -1 0 418.544 4.183 50 0 HIAARM COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccccc1OC ZINC000009002268 571209803 /nfs/dbraw/zinc/20/98/03/571209803.db2.gz HMDVELYJPXXEPI-UHFFFAOYSA-N -1 0 417.508 4.320 50 0 HIAARM O=c1cc(CSc2ccccn2)nc2[n-]c(SCc3ccc(Cl)cc3)nn21 ZINC000009096701 571221060 /nfs/dbraw/zinc/22/10/60/571221060.db2.gz DSSWVNVJWUREKU-UHFFFAOYSA-N -1 0 415.931 4.463 50 0 HIAARM CCCN1c2cc([N-]S(=O)(=O)c3ccccc3Cl)ccc2OCC(C)(C)C1=O ZINC000009171761 571234155 /nfs/dbraw/zinc/23/41/55/571234155.db2.gz IVAPMJABAJYDIT-UHFFFAOYSA-N -1 0 422.934 4.302 50 0 HIAARM CC(C)CCN1Cc2cc(C(=O)c3cc(Br)ccc3[O-])cnc2NC1=O ZINC000009644696 571276144 /nfs/dbraw/zinc/27/61/44/571276144.db2.gz OGKCXQVPAOAUKL-UHFFFAOYSA-N -1 0 418.291 4.174 50 0 HIAARM CNc1ccc(/C=C2/CCc3cc(OC(C)(C)C(=O)[O-])ccc3C2=O)cc1[N+](=O)[O-] ZINC000078726015 852527970 /nfs/dbraw/zinc/52/79/70/852527970.db2.gz LWRYNMRTTVAHJW-GDNBJRDFSA-N -1 0 410.426 4.091 50 0 HIAARM O=C([O-])/C=C\c1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000096936617 852558954 /nfs/dbraw/zinc/55/89/54/852558954.db2.gz DSFMYGUBUDUBMT-BAQGIRSFSA-N -1 0 419.403 4.053 50 0 HIAARM Cc1c(C(=O)[O-])sc2nc3n(c(=O)c12)CC/C3=C/c1ccccc1OC(F)F ZINC000103335917 852668372 /nfs/dbraw/zinc/66/83/72/852668372.db2.gz TWIRROFQOAEYOI-FLIBITNWSA-N -1 0 404.394 4.010 50 0 HIAARM Cc1ccccc1N1C(=O)c2ccccc2/C(=C\c2ccc(OCC(=O)[O-])cc2)C1=O ZINC000035489021 132227894 /nfs/dbraw/zinc/22/78/94/132227894.db2.gz HHFGBASWBPGKKK-KGENOOAVSA-N -1 0 413.429 4.186 50 0 HIAARM Cc1oc(-c2ccccc2)nc1CCC(=O)c1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000001492464 340282085 /nfs/dbraw/zinc/28/20/85/340282085.db2.gz QQKNSPHAFATFNQ-FQEVSTJZSA-N -1 0 420.490 4.360 50 0 in-man HIAARM CCC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC(C)=C(C)C[C@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000239164868 520829224 /nfs/dbraw/zinc/82/92/24/520829224.db2.gz NBIXLGMEHJODLK-FVQBIDKESA-N -1 0 418.559 4.138 50 0 HIAARM CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCCC4)nn3)c2)s1 ZINC000020554866 524017223 /nfs/dbraw/zinc/01/72/23/524017223.db2.gz QFGXIXHVVIKKBT-UHFFFAOYSA-N -1 0 414.556 4.169 50 0 HIAARM O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)c(F)c2)ccc1N1CCCCCCC1 ZINC000032962193 526352603 /nfs/dbraw/zinc/35/26/03/526352603.db2.gz BVGQATAKXHQRRG-UHFFFAOYSA-N -1 0 424.469 4.234 50 0 HIAARM Cc1nc(-c2ccccc2Cl)sc1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000032092083 526605994 /nfs/dbraw/zinc/60/59/94/526605994.db2.gz PJJDSRHXPXLFFY-MRXNPFEDSA-N -1 0 400.887 4.198 50 0 HIAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)C(C)C)CCC2 ZINC000005136605 536563178 /nfs/dbraw/zinc/56/31/78/536563178.db2.gz QHBGJUKAKHUXNZ-UHFFFAOYSA-N -1 0 416.543 4.048 50 0 HIAARM CCc1c([O-])c(I)c(=O)n(-c2ccccc2)c1-c1ccccc1 ZINC000000704405 557063366 /nfs/dbraw/zinc/06/33/66/557063366.db2.gz KKCUWPWJHRAUDF-UHFFFAOYSA-N -1 0 417.246 4.377 50 0 HIAARM Cc1nc2sc([C@H](c3cccc(Br)c3)N3CCC[C@@H](C)C3)c([O-])n2n1 ZINC000022626057 557077568 /nfs/dbraw/zinc/07/75/68/557077568.db2.gz XYBPPAZJPNCVJB-ABAIWWIYSA-N -1 0 421.364 4.389 50 0 HIAARM COc1ccc([C@@H]2[C@@H](C(=O)[O-])c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000001041513 557153717 /nfs/dbraw/zinc/15/37/17/557153717.db2.gz HXLVJBPGOYRQLH-FCHUYYIVSA-N -1 0 405.425 4.400 50 0 HIAARM O=c1c(S(=O)(=O)c2ccccc2)c([O-])cc(-c2ccccc2)n1-c1ccccc1 ZINC000001044290 557155539 /nfs/dbraw/zinc/15/55/39/557155539.db2.gz KPFXSZMBLPLFBR-UHFFFAOYSA-N -1 0 403.459 4.043 50 0 HIAARM Cc1cccc(OCC(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)[O-])c2)c1C ZINC000001143498 557206159 /nfs/dbraw/zinc/20/61/59/557206159.db2.gz VHOHVNQYLYDZCV-UHFFFAOYSA-N -1 0 418.449 4.271 50 0 HIAARM Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(C(=O)[O-])c3)ccc2C)cc1 ZINC000001196431 557237919 /nfs/dbraw/zinc/23/79/19/557237919.db2.gz YCTLHPTUNMCBMJ-UHFFFAOYSA-N -1 0 424.478 4.055 50 0 HIAARM Cc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000001217342 557246626 /nfs/dbraw/zinc/24/66/26/557246626.db2.gz CKURMXBCDCHRID-SFHVURJKSA-N -1 0 415.287 4.300 50 0 HIAARM CC(=O)c1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccs2)c1 ZINC000002366585 557341057 /nfs/dbraw/zinc/34/10/57/557341057.db2.gz JCSMCPNKDHGKQJ-UHFFFAOYSA-N -1 0 424.507 4.438 50 0 HIAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)OCC2c3ccccc3-c3ccccc32)cn1 ZINC000002529281 557354704 /nfs/dbraw/zinc/35/47/04/557354704.db2.gz XSOWGPXMQMVHDC-OAQYLSRUSA-N -1 0 418.449 4.145 50 0 HIAARM O=C([O-])[C@H](Cc1ccc(O)c(F)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002583005 557358329 /nfs/dbraw/zinc/35/83/29/557358329.db2.gz VNQUEERXNCSBHF-NRFANRHFSA-N -1 0 421.424 4.066 50 0 HIAARM O=C([O-])/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)NC(=O)c1ccccc1 ZINC000002824634 557396844 /nfs/dbraw/zinc/39/68/44/557396844.db2.gz DULRAVTWPUJQHK-CJLVFECKSA-N -1 0 409.445 4.395 50 0 HIAARM CCCCCc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCC2CC2)cc1 ZINC000004297070 557537064 /nfs/dbraw/zinc/53/70/64/557537064.db2.gz KQBNSZHPNMPECY-UHFFFAOYSA-N -1 0 400.544 4.360 50 0 HIAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(NC(=O)C2CCCCC2)c(Cl)c1 ZINC000004810050 557600149 /nfs/dbraw/zinc/60/01/49/557600149.db2.gz MHZIAIITEAPSAO-JKSUJKDBSA-N -1 0 404.894 4.464 50 0 HIAARM COc1ccc(Cl)cc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000005050583 557630273 /nfs/dbraw/zinc/63/02/73/557630273.db2.gz XEYRIJXXIYIIHD-UHFFFAOYSA-N -1 0 416.886 4.402 50 0 HIAARM CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000005094780 557635401 /nfs/dbraw/zinc/63/54/01/557635401.db2.gz YHQQZTIVNVWNBT-LSDHHAIUSA-N -1 0 417.458 4.336 50 0 HIAARM CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000005094778 557635409 /nfs/dbraw/zinc/63/54/09/557635409.db2.gz YHQQZTIVNVWNBT-GJZGRUSLSA-N -1 0 417.458 4.336 50 0 HIAARM CCOC(=O)c1c([N-]S(=O)(=O)c2ccc(SC)cc2)sc2c1CCCC2 ZINC000006480560 557704638 /nfs/dbraw/zinc/70/46/38/557704638.db2.gz GRPRXTQBFGCOAJ-UHFFFAOYSA-N -1 0 411.570 4.326 50 0 HIAARM Cc1nn(Cc2ccc(F)cc2)c(C)c1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000002761820 557755541 /nfs/dbraw/zinc/75/55/41/557755541.db2.gz HQLFFOXGCWMVPV-UHFFFAOYSA-N -1 0 410.474 4.036 50 0 HIAARM CC(C)N1C(=O)S/C(=C/c2cc(Br)cc(Br)c2[O-])C1=O ZINC000008396135 557785831 /nfs/dbraw/zinc/78/58/31/557785831.db2.gz ZPGOGEKHRNMOHY-ONNFQVAWSA-N -1 0 421.110 4.362 50 0 HIAARM CCc1nc2sc([C@@H](c3ccc(OC)cc3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000022855076 557842275 /nfs/dbraw/zinc/84/22/75/557842275.db2.gz INHFSERVCCOIOV-HXUWFJFHSA-N -1 0 420.538 4.215 50 0 HIAARM COc1ccccc1-c1cc(=O)n2[n-]c(C)c(-c3ccc(Br)cc3)c2n1 ZINC000010338596 557861412 /nfs/dbraw/zinc/86/14/12/557861412.db2.gz OTGMHGDNTDQIRU-UHFFFAOYSA-N -1 0 410.271 4.436 50 0 HIAARM O=C([O-])CC[C@@H](c1ncc(C(F)(F)F)cc1Cl)S(=O)(=O)c1ccccc1 ZINC000004408827 558502361 /nfs/dbraw/zinc/50/23/61/558502361.db2.gz RALWUSQHVNZHAW-ZDUSSCGKSA-N -1 0 407.797 4.134 50 0 HIAARM Cc1ccc(Nc2ccccc2NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000013059959 558509627 /nfs/dbraw/zinc/50/96/27/558509627.db2.gz BHLLWWGOTWNRMJ-UHFFFAOYSA-N -1 0 400.431 4.377 50 0 HIAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OCC(F)(F)F)cc1 ZINC000023042819 558531646 /nfs/dbraw/zinc/53/16/46/558531646.db2.gz DCEBWNAVKGPYPU-UHFFFAOYSA-N -1 0 422.812 4.040 50 0 HIAARM O=C([O-])CCCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(Br)cc1 ZINC000013689440 558571802 /nfs/dbraw/zinc/57/18/02/558571802.db2.gz ZNDUYPIQQVKZMC-OAHLLOKOSA-N -1 0 421.316 4.443 50 0 HIAARM CCC[C@@H](C)n1c(SCC(=O)Nc2c(C)cccc2C)nc([O-])c(CC)c1=O ZINC000013957245 558607792 /nfs/dbraw/zinc/60/77/92/558607792.db2.gz FUHUUVFRQWFYTF-OAHLLOKOSA-N -1 0 403.548 4.220 50 0 HIAARM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)Nc1nc2c(s1)CCC2 ZINC000025768894 558649395 /nfs/dbraw/zinc/64/93/95/558649395.db2.gz KXLXWYZHDSDPHY-UHFFFAOYSA-N -1 0 414.556 4.203 50 0 HIAARM COc1cc(F)c(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCCC2)O3)cc1OC ZINC000026536210 558662793 /nfs/dbraw/zinc/66/27/93/558662793.db2.gz AUCCBTFHLIXXIO-UHFFFAOYSA-N -1 0 423.462 4.075 50 0 HIAARM CC[C@@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)Nc2ccccc2)C1 ZINC000017081930 558813800 /nfs/dbraw/zinc/81/38/00/558813800.db2.gz ROZYJRXKMLVLSQ-CYBMUJFWSA-N -1 0 400.500 4.319 50 0 HIAARM Cc1sc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c(C(=O)NC2CCCCC2)c1C ZINC000017087437 558816314 /nfs/dbraw/zinc/81/63/14/558816314.db2.gz RGNYMTBVKNUQQO-CVEARBPZSA-N -1 0 406.548 4.257 50 0 HIAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCC2 ZINC000017088521 558817337 /nfs/dbraw/zinc/81/73/37/558817337.db2.gz JNFMVOLNNHVKSW-CABCVRRESA-N -1 0 410.495 4.095 50 0 HIAARM COc1ccccc1NC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CCCC2 ZINC000017090660 558819287 /nfs/dbraw/zinc/81/92/87/558819287.db2.gz BCGAEBIOYUPZOI-UHFFFAOYSA-N -1 0 416.499 4.081 50 0 HIAARM Cc1sc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])c(C(=O)NC2CCCC2)c1C ZINC000017091512 558820112 /nfs/dbraw/zinc/82/01/12/558820112.db2.gz QXLUNPBXHJHJLW-IAGOWNOFSA-N -1 0 418.559 4.423 50 0 HIAARM Cc1onc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)c1C ZINC000017092467 558820919 /nfs/dbraw/zinc/82/09/19/558820919.db2.gz GSLQTXOEWAVHHE-UHFFFAOYSA-N -1 0 420.878 4.390 50 0 HIAARM Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCC(C)CC3)cc2C(=O)[O-])c1 ZINC000033007223 558827966 /nfs/dbraw/zinc/82/79/66/558827966.db2.gz KPRDOOQLRSPTRH-UHFFFAOYSA-N -1 0 402.516 4.039 50 0 HIAARM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC(C)CC2)cc1C ZINC000033253887 558921979 /nfs/dbraw/zinc/92/19/79/558921979.db2.gz XJJRMRBBBKPBRY-UHFFFAOYSA-N -1 0 402.516 4.039 50 0 HIAARM CC(C)c1noc(-c2ccccc2C(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)n1 ZINC000097017450 558988006 /nfs/dbraw/zinc/98/80/06/558988006.db2.gz RQPBBQZMLJRYSS-UHFFFAOYSA-N -1 0 419.481 4.119 50 0 HIAARM O=C(N[C@@H]1CCCc2ccccc21)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000004732612 559033309 /nfs/dbraw/zinc/03/33/09/559033309.db2.gz TZCFFCQOVUXQTO-LJQANCHMSA-N -1 0 412.536 4.356 50 0 HIAARM C[C@H]1CCc2c(sc3[nH]c(=O)c(C(=O)Nc4ccc(F)c(Cl)c4)c([O-])c23)C1 ZINC000033308685 559052810 /nfs/dbraw/zinc/05/28/10/559052810.db2.gz FKYHZXPMKOZYQO-QMMMGPOBSA-N -1 0 406.866 4.465 50 0 HIAARM O=C(Nc1ccccn1)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000060796586 559067533 /nfs/dbraw/zinc/06/75/33/559067533.db2.gz HAAQLDCMBOLAIG-UHFFFAOYSA-N -1 0 422.293 4.442 50 0 HIAARM COc1cc([N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2OC)c(OC)cc1Cl ZINC000011613734 559114131 /nfs/dbraw/zinc/11/41/31/559114131.db2.gz SKEZDGLSBDNWDF-UHFFFAOYSA-N -1 0 413.923 4.464 50 0 HIAARM CCCn1c(=O)c(C(=O)Nc2ccc(C)cc2Br)c([O-])c2ccccc21 ZINC000100602445 559136874 /nfs/dbraw/zinc/13/68/74/559136874.db2.gz ZFNFRXAALNNAGI-UHFFFAOYSA-N -1 0 415.287 4.440 50 0 HIAARM Cc1cc(C)cc(N(C(=O)c2ccco2)C2=C([O-])N(c3cc(C)cc(C)c3)C(=O)C2)c1 ZINC000101140352 559143557 /nfs/dbraw/zinc/14/35/57/559143557.db2.gz PZVPTDDTCCUSGZ-OAQYLSRUSA-N -1 0 416.477 4.492 50 0 HIAARM Cc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccco2)c3=O)cc1C ZINC000014052981 559146741 /nfs/dbraw/zinc/14/67/41/559146741.db2.gz JCCOWLASPPJVPB-UHFFFAOYSA-N -1 0 405.479 4.196 50 0 HIAARM O=C([O-])c1ccc(-c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)o1 ZINC000226353126 559273624 /nfs/dbraw/zinc/27/36/24/559273624.db2.gz OBMBSODUGJEQMR-UHFFFAOYSA-N -1 0 422.256 4.208 50 0 HIAARM Cc1ccc(-c2csc3[nH]c(Cc4ccc(OCC(=O)[O-])cc4)nc(=O)c23)cc1 ZINC000063579608 559276472 /nfs/dbraw/zinc/27/64/72/559276472.db2.gz XIUZRGPPAYFOGX-UHFFFAOYSA-N -1 0 406.463 4.014 50 0 HIAARM O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc(F)c3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000136417870 559276939 /nfs/dbraw/zinc/27/69/39/559276939.db2.gz PFUFINGZQLOXFT-PWRODBHTSA-N -1 0 406.388 4.016 50 0 HIAARM O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccccc1F ZINC000136628213 559277845 /nfs/dbraw/zinc/27/78/45/559277845.db2.gz MADIIHWVTPVBSD-PWRODBHTSA-N -1 0 406.388 4.016 50 0 HIAARM Cc1cc(C)n(-c2cc(C)c3cccc([N-]S(=O)(=O)c4ccc(C)cc4)c3n2)n1 ZINC000003101852 560588971 /nfs/dbraw/zinc/58/89/71/560588971.db2.gz ULHGDGFFUVXUBJ-UHFFFAOYSA-N -1 0 406.511 4.455 50 0 HIAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1Br ZINC000000813079 560725808 /nfs/dbraw/zinc/72/58/08/560725808.db2.gz WELFLLIHNOCMOJ-UHFFFAOYSA-N -1 0 410.211 4.277 50 0 HIAARM O=C(c1ccc(Br)o1)c1c(=O)n(-c2ccccc2)[n-]c1-c1ccccc1 ZINC000101087721 560775522 /nfs/dbraw/zinc/77/55/22/560775522.db2.gz VYORCGFMSHUBNV-QGZVFWFLSA-N -1 0 409.239 4.292 50 0 HIAARM Cc1[n-]n(-c2nc(-c3ccc(F)cc3)cs2)c(=O)c1CCC(=O)N1CCCCC1 ZINC000101833021 560802984 /nfs/dbraw/zinc/80/29/84/560802984.db2.gz HMADEJJULUNLJD-UHFFFAOYSA-N -1 0 414.506 4.094 50 0 HIAARM Cc1nc(-n2[n-]c(C)c(Cc3ccccc3Cl)c2=O)sc1C(=O)N1CCCC1 ZINC000101832560 560803046 /nfs/dbraw/zinc/80/30/46/560803046.db2.gz XEXQGJSESVSSFT-UHFFFAOYSA-N -1 0 416.934 4.131 50 0 HIAARM COc1ccc(-n2nc(C)c3c2NC(=O)CC3=C([O-])c2ccc(Cl)s2)cc1 ZINC000046057842 568426351 /nfs/dbraw/zinc/42/63/51/568426351.db2.gz WOGCABSFEXZRTD-ZDUSSCGKSA-N -1 0 401.875 4.213 50 0 HIAARM COc1ccc(NC(=O)c2c([O-])c3sccc3n(Cc3ccccc3)c2=O)cc1 ZINC000049409594 568449658 /nfs/dbraw/zinc/44/96/58/568449658.db2.gz IYKPMRUQUGHCHI-UHFFFAOYSA-N -1 0 406.463 4.078 50 0 HIAARM COc1cc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(Cl)cc4)c32)ccc1O ZINC000049543852 568451142 /nfs/dbraw/zinc/45/11/42/568451142.db2.gz UOMOSEHGLOLNCP-AWEZNQCLSA-N -1 0 412.829 4.017 50 0 HIAARM C[C@]12C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@@H]1C1c3ccccc3C2c2ccccc21 ZINC000000828206 568500287 /nfs/dbraw/zinc/50/02/87/568500287.db2.gz AMDPEQKHSLHQMI-WOVMPUMLSA-N -1 0 409.441 4.172 50 0 HIAARM CC(C)c1ccc(-c2nc(CC(=O)N[C@H](Cc3ccccc3)C(=O)[O-])cs2)cc1 ZINC000080358395 568604161 /nfs/dbraw/zinc/60/41/61/568604161.db2.gz MDNYWYNEAFPQAP-HXUWFJFHSA-N -1 0 408.523 4.288 50 0 HIAARM CCCCc1ccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000096361075 568739004 /nfs/dbraw/zinc/73/90/04/568739004.db2.gz AAUGQSVDKNMDPU-UHFFFAOYSA-N -1 0 412.515 4.114 50 0 HIAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1-c1nnc(C2CCC2)o1 ZINC000096379691 568741328 /nfs/dbraw/zinc/74/13/28/568741328.db2.gz SXBVKZLHGRRZMQ-UHFFFAOYSA-N -1 0 400.504 4.367 50 0 HIAARM Cc1ccc(Cn2nc(CNCc3ccc(C(=O)[O-])cc3)c(-c3ccccc3)n2)cc1 ZINC000248098280 568747458 /nfs/dbraw/zinc/74/74/58/568747458.db2.gz MZZDFGYYOOMARF-UHFFFAOYSA-N -1 0 412.493 4.290 50 0 HIAARM O=C([O-])c1cccc2cccc(C(=O)NNC(=O)C(c3ccccc3)c3ccccc3)c21 ZINC000000998270 568761068 /nfs/dbraw/zinc/76/10/68/568761068.db2.gz BUPWKERFIOVLEA-UHFFFAOYSA-N -1 0 424.456 4.131 50 0 HIAARM COc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000001020830 568763472 /nfs/dbraw/zinc/76/34/72/568763472.db2.gz BQTSYXLRJBLTOY-UHFFFAOYSA-N -1 0 420.494 4.491 50 0 HIAARM COc1cc2c(cc1[N-]S(=O)(=O)c1ccc(CNC(C)=O)cc1)oc1ccccc12 ZINC000002636390 568792205 /nfs/dbraw/zinc/79/22/05/568792205.db2.gz LYIHSZDVGIJQDD-UHFFFAOYSA-N -1 0 424.478 4.032 50 0 HIAARM O=S(=O)([N-]c1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(Cl)s1 ZINC000002642928 568794186 /nfs/dbraw/zinc/79/41/86/568794186.db2.gz OHUZONNEGYGUKN-UHFFFAOYSA-N -1 0 408.936 4.187 50 0 HIAARM CCOC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CC[C@H](c1ccccc1)C2 ZINC000005953132 568832160 /nfs/dbraw/zinc/83/21/60/568832160.db2.gz QQOPOBWYRMYYDA-HNNXBMFYSA-N -1 0 415.511 4.391 50 0 HIAARM COc1ccc(NC(=O)c2ccc(C)s2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000003357918 568856942 /nfs/dbraw/zinc/85/69/42/568856942.db2.gz RIEBMAQHLSAIGA-UHFFFAOYSA-N -1 0 420.487 4.257 50 0 HIAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000003865013 568868992 /nfs/dbraw/zinc/86/89/92/568868992.db2.gz KQGRNCUXCVBJHX-IBGZPJMESA-N -1 0 400.862 4.281 50 0 HIAARM CCCn1c(=O)c(C(=O)Nc2cccc(Br)c2)c([O-])c2ccccc21 ZINC000001252751 568908980 /nfs/dbraw/zinc/90/89/80/568908980.db2.gz LPKHEGDHGBZEHG-UHFFFAOYSA-N -1 0 401.260 4.132 50 0 HIAARM CCc1c([N-]S(=O)(=O)c2ccc(F)cc2)[nH]nc1-c1ccc(Br)cc1 ZINC000083817678 568917637 /nfs/dbraw/zinc/91/76/37/568917637.db2.gz KZPRPGDMWDCJAK-UHFFFAOYSA-N -1 0 424.295 4.342 50 0 HIAARM O=C(c1ccc2c(c1)[n-]c(=S)n(C1CCCCC1)c2=O)N1CCc2ccccc2C1 ZINC000003630029 568921074 /nfs/dbraw/zinc/92/10/74/568921074.db2.gz HTDPCYKZYNSNGV-UHFFFAOYSA-N -1 0 419.550 4.389 50 0 HIAARM COc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)cc1COc1cc(C)c(Cl)c(C)c1 ZINC000004204818 568951765 /nfs/dbraw/zinc/95/17/65/568951765.db2.gz WNNKUHGYJPBLCS-APWZRJJASA-N -1 0 407.919 4.333 50 0 HIAARM COc1ccc(-c2[nH]nc3nc(-c4cc(OC)ccc4OC)cc(C(=O)[O-])c32)cc1 ZINC000015677204 568965135 /nfs/dbraw/zinc/96/51/35/568965135.db2.gz HJTDPYGAUGTEGN-UHFFFAOYSA-N -1 0 405.410 4.016 50 0 HIAARM COc1ccc(-c2[nH]nc3nc(-c4ccc(OC)c(OC)c4)cc(C(=O)[O-])c32)cc1 ZINC000015677201 568965174 /nfs/dbraw/zinc/96/51/74/568965174.db2.gz SBUUYWGCWUQNMU-UHFFFAOYSA-N -1 0 405.410 4.016 50 0 HIAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)N1CCCCC1 ZINC000008185067 568980313 /nfs/dbraw/zinc/98/03/13/568980313.db2.gz LISBFNIFBJPQSV-UHFFFAOYSA-N -1 0 412.433 4.132 50 0 HIAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccccn2)c1C ZINC000006146589 569014502 /nfs/dbraw/zinc/01/45/02/569014502.db2.gz WJKVVFHRDFLXDB-UHFFFAOYSA-N -1 0 423.538 4.046 50 0 HIAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NCCc2ccccc2)c1 ZINC000006146682 569014506 /nfs/dbraw/zinc/01/45/06/569014506.db2.gz PJSSYLFZXXJEFA-UHFFFAOYSA-N -1 0 408.523 4.077 50 0 HIAARM CCCCC(=O)Nc1cc2sc([N-]S(=O)(=O)c3ccccc3)nc2c(OC)c1 ZINC000015862144 569015825 /nfs/dbraw/zinc/01/58/25/569015825.db2.gz NDHUCYBPAFGZSA-UHFFFAOYSA-N -1 0 419.528 4.234 50 0 HIAARM COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])sc(C)c1-c1ccc(F)cc1 ZINC000006184261 569029063 /nfs/dbraw/zinc/02/90/63/569029063.db2.gz RUWHKNGGYSLPRX-HUUCEWRRSA-N -1 0 419.474 4.479 50 0 HIAARM C[C@H](Cc1ccc(Br)cc1)NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000053416982 569030648 /nfs/dbraw/zinc/03/06/48/569030648.db2.gz GILIYITZGZNJAC-SNVBAGLBSA-N -1 0 418.316 4.121 50 0 HIAARM COc1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000064557803 569066843 /nfs/dbraw/zinc/06/68/43/569066843.db2.gz NYZXOSRXVRWXOQ-HXUWFJFHSA-N -1 0 421.474 4.027 50 0 HIAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000006601902 569069835 /nfs/dbraw/zinc/06/98/35/569069835.db2.gz FUUDGXDCYISZKA-UHFFFAOYSA-N -1 0 408.676 4.441 50 0 HIAARM O=C([O-])c1ccc(-c2ccc(/C=C3\NC(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1 ZINC000002065791 569073920 /nfs/dbraw/zinc/07/39/20/569073920.db2.gz IXSBDSKRJJIPHK-BOPFTXTBSA-N -1 0 408.797 4.396 50 0 HIAARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000064670112 569079029 /nfs/dbraw/zinc/07/90/29/569079029.db2.gz JFZBIZOMYCWVLE-UHFFFAOYSA-N -1 0 404.513 4.327 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2cc(C)no2)c(OC)c1 ZINC000064845306 569108068 /nfs/dbraw/zinc/10/80/68/569108068.db2.gz BXTKGDULJLNRNM-UHFFFAOYSA-N -1 0 408.501 4.146 50 0 HIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2nnc(C3CC3)o2)s1 ZINC000064920302 569121129 /nfs/dbraw/zinc/12/11/29/569121129.db2.gz SCINDWXFAZBQCI-UHFFFAOYSA-N -1 0 411.892 4.138 50 0 HIAARM O=C(Nc1ccc(OC(F)(F)F)cc1)c1c(=O)[nH]c2sc3c(c2c1[O-])CCCC3 ZINC000065150365 569184845 /nfs/dbraw/zinc/18/48/45/569184845.db2.gz UNXGILGJEHMCCI-UHFFFAOYSA-N -1 0 424.400 4.325 50 0 HIAARM CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)c(C)n2CC)o1 ZINC000065186596 569192194 /nfs/dbraw/zinc/19/21/94/569192194.db2.gz UYIDXAIKJOAHRP-UHFFFAOYSA-N -1 0 422.938 4.500 50 0 HIAARM O=C(Nc1cc(F)ccc1F)c1c([O-])c2sccc2n(Cc2ccccc2)c1=O ZINC000065215648 569197559 /nfs/dbraw/zinc/19/75/59/569197559.db2.gz RONHNQLJDVCCSP-UHFFFAOYSA-N -1 0 412.417 4.347 50 0 HIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2cc(C)no2)ccc1OC ZINC000007005148 569198501 /nfs/dbraw/zinc/19/85/01/569198501.db2.gz RSRBNWZLQZOSEE-UHFFFAOYSA-N -1 0 408.863 4.121 50 0 HIAARM Cc1c2c(cc(=O)n1CCc1c[nH]c3ccc(F)cc13)[n-]n(-c1ccccc1)c2=O ZINC000036585587 569203136 /nfs/dbraw/zinc/20/31/36/569203136.db2.gz RPVXOKZDOSSOSZ-UHFFFAOYSA-N -1 0 402.429 4.016 50 0 HIAARM CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCCC4)o3)o2)cc1 ZINC000065246462 569205571 /nfs/dbraw/zinc/20/55/71/569205571.db2.gz FZJMLAUOCUHJIS-UHFFFAOYSA-N -1 0 403.460 4.187 50 0 HIAARM O=C([O-])[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]([C@H]2CCCO2)C1 ZINC000675069170 569260578 /nfs/dbraw/zinc/26/05/78/569260578.db2.gz CMGFCALTFRYOFS-ZGNKEGEESA-N -1 0 421.493 4.280 50 0 HIAARM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cccc(-n4cccn4)c3)s2)cs1 ZINC000089712613 569263022 /nfs/dbraw/zinc/26/30/22/569263022.db2.gz ZXDMRYDTBNQFHZ-UHFFFAOYSA-N -1 0 402.526 4.167 50 0 HIAARM O=C([O-])c1ccccc1C(=O)NCC[C@H](c1ccccc1)c1ccc2c(c1)OCO2 ZINC000002134111 569287397 /nfs/dbraw/zinc/28/73/97/569287397.db2.gz XSQQLUSZAUMAHI-GOSISDBHSA-N -1 0 403.434 4.066 50 0 biogenic HIAARM O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)n1nnc2ccccc21 ZINC000048546925 569358669 /nfs/dbraw/zinc/35/86/69/569358669.db2.gz WHPSKWZRVCSESY-UHFFFAOYSA-N -1 0 405.024 4.432 50 0 HIAARM CCc1cccc([C@H](C)CC)c1NC(=O)C(=O)c1c(C)[n-]n(-c2ccccc2)c1=O ZINC000198727099 569359602 /nfs/dbraw/zinc/35/96/02/569359602.db2.gz GCIGFHFLHNHJEA-FOIQADDNSA-N -1 0 405.498 4.309 50 0 HIAARM O=C([O-])CCC(=O)Nc1ccc(-c2cn3cc(C(F)(F)F)cc(Cl)c3n2)cc1 ZINC000263639847 571043629 /nfs/dbraw/zinc/04/36/29/571043629.db2.gz LVIRYKKSHGVKLJ-UHFFFAOYSA-N -1 0 411.767 4.477 50 0 HIAARM O=S(=O)([N-]c1nc2ccccc2nc1NCCc1ccccc1)c1ccc(F)cc1 ZINC000008836394 571123159 /nfs/dbraw/zinc/12/31/59/571123159.db2.gz MCDPVKGWCXIIGU-UHFFFAOYSA-N -1 0 422.485 4.224 50 0 HIAARM O=C(Nc1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccncc1 ZINC000040139098 571188882 /nfs/dbraw/zinc/18/88/82/571188882.db2.gz QFFQUIFOHWHVAG-UHFFFAOYSA-N -1 0 422.293 4.442 50 0 HIAARM CN1c2ccccc2Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc2C1=O ZINC000008961046 571189363 /nfs/dbraw/zinc/18/93/63/571189363.db2.gz CKNIDJDVAKJAPO-UHFFFAOYSA-N -1 0 416.405 4.148 50 0 HIAARM COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000009002262 571209740 /nfs/dbraw/zinc/20/97/40/571209740.db2.gz UJGRGUBHAPPFIQ-UHFFFAOYSA-N -1 0 417.508 4.320 50 0 HIAARM CC(C)CN1c2cc([N-]S(=O)(=O)c3ccccc3F)ccc2OCC(C)(C)C1=O ZINC000009172457 571234151 /nfs/dbraw/zinc/23/41/51/571234151.db2.gz GVQYBEFLAGLZCO-UHFFFAOYSA-N -1 0 420.506 4.034 50 0 HIAARM COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000009739279 571283280 /nfs/dbraw/zinc/28/32/80/571283280.db2.gz IDDWZUQJBCGNEY-UHFFFAOYSA-N -1 0 418.421 4.027 50 0 HIAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)ccc1Cl ZINC000013342524 845915176 /nfs/dbraw/zinc/91/51/76/845915176.db2.gz RHGYBSVTUJBBAT-UHFFFAOYSA-N -1 0 412.197 4.094 50 0 HIAARM O=C([O-])[C@@H]1CS[C@H](c2ccc(COc3ccc(Br)cc3Cl)o2)N1 ZINC000020606333 846385315 /nfs/dbraw/zinc/38/53/15/846385315.db2.gz XMFFZWRLXCIXGS-SMDDNHRTSA-N -1 0 418.696 4.063 50 0 HIAARM Cc1ccc(OCC(=O)[O-])c2c1[C@H](C)/C(=C\c1cnn(Cc3ccccc3)c1)C2=O ZINC000024368812 846818213 /nfs/dbraw/zinc/81/82/13/846818213.db2.gz UJOWNNFQLUECKI-MWJIIQFGSA-N -1 0 402.450 4.087 50 0 HIAARM O=C([O-])c1ccc(-c2ccc(C=NNC(=O)c3ccc(Br)cc3)o2)cc1 ZINC000254628440 854213582 /nfs/dbraw/zinc/21/35/82/854213582.db2.gz YIFHZQJYFVBOTA-UHFFFAOYSA-N -1 0 413.227 4.171 50 0 HIAARM CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2OCc1ccccc1)C(=O)[O-] ZINC000040566515 518835898 /nfs/dbraw/zinc/83/58/98/518835898.db2.gz BKGXDFLPMKQUPY-SFHVURJKSA-N -1 0 410.470 4.267 50 0 HIAARM CC1CCN(c2ccc(NS(=O)(=O)c3ccccc3Cl)cc2C(=O)[O-])CC1 ZINC000032962070 521043179 /nfs/dbraw/zinc/04/31/79/521043179.db2.gz MIHJNAKJQYVXOX-UHFFFAOYSA-N -1 0 408.907 4.075 50 0 HIAARM COc1ccc([C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000044546673 525185315 /nfs/dbraw/zinc/18/53/15/525185315.db2.gz DARFAJVWLQEHMQ-JOCHJYFZSA-N -1 0 417.461 4.402 50 0 HIAARM COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4)c32)c(OC)c1OC ZINC000040312957 525237947 /nfs/dbraw/zinc/23/79/47/525237947.db2.gz KOXZWRUUDKOMIE-HNNXBMFYSA-N -1 0 422.437 4.325 50 0 HIAARM COc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4)c32)c(OC)c1OC ZINC000040312960 525405014 /nfs/dbraw/zinc/40/50/14/525405014.db2.gz KOXZWRUUDKOMIE-OAHLLOKOSA-N -1 0 422.437 4.325 50 0 HIAARM COc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(F)c4)c32)cc1OC ZINC000044903831 525405281 /nfs/dbraw/zinc/40/52/81/525405281.db2.gz QBGIYGREXLHYBR-OAHLLOKOSA-N -1 0 410.401 4.455 50 0 HIAARM O=C1CCc2cc(S(=O)(=O)[N-]c3nc4c(ccc5ccccc45)s3)ccc2N1 ZINC000007420133 526999586 /nfs/dbraw/zinc/99/95/86/526999586.db2.gz NQZGWGCTBUZUFU-UHFFFAOYSA-N -1 0 409.492 4.135 50 0 HIAARM O=C([O-])CCCCCNC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000040287817 527580834 /nfs/dbraw/zinc/58/08/34/527580834.db2.gz YQAXULAGWPQNTN-UHFFFAOYSA-N -1 0 401.315 4.421 50 0 HIAARM COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000000679072 557054823 /nfs/dbraw/zinc/05/48/23/557054823.db2.gz XAEVXFCQKDKJDZ-UHFFFAOYSA-N -1 0 406.463 4.187 50 0 HIAARM O=C([O-])CC1(CC(=O)Nc2cscc2S(=O)(=O)c2ccccc2)CCCCC1 ZINC000001025555 557145003 /nfs/dbraw/zinc/14/50/03/557145003.db2.gz BAAGWRCDWLAIFP-UHFFFAOYSA-N -1 0 421.540 4.335 50 0 HIAARM CSc1[nH]nc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1-c1ccccn1 ZINC000001041364 557153493 /nfs/dbraw/zinc/15/34/93/557153493.db2.gz QXQWSGOYGBAXNT-UHFFFAOYSA-N -1 0 414.434 4.013 50 0 HIAARM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CCCCC2)c(C)c1 ZINC000001131800 557198779 /nfs/dbraw/zinc/19/87/79/557198779.db2.gz AHGZSUDXUYZFFU-UHFFFAOYSA-N -1 0 400.544 4.475 50 0 HIAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000001166962 557221564 /nfs/dbraw/zinc/22/15/64/557221564.db2.gz HUTUVMVCVVRREG-UHFFFAOYSA-N -1 0 410.495 4.365 50 0 HIAARM Cc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4C(=O)[O-])cc3C2=O)cc1C ZINC000001234948 557250198 /nfs/dbraw/zinc/25/01/98/557250198.db2.gz KTMCGMYPGMBJLA-UHFFFAOYSA-N -1 0 414.417 4.055 50 0 HIAARM CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000002213790 557327551 /nfs/dbraw/zinc/32/75/51/557327551.db2.gz GQKVDFVHCLPEEN-UHFFFAOYSA-N -1 0 406.891 4.344 50 0 HIAARM CC(=O)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccs2)cc1 ZINC000002385480 557342939 /nfs/dbraw/zinc/34/29/39/557342939.db2.gz WFRDVSVQUZSZAY-UHFFFAOYSA-N -1 0 424.507 4.438 50 0 HIAARM O=C([O-])C[C@H](Cc1cccnc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002575643 557357474 /nfs/dbraw/zinc/35/74/74/557357474.db2.gz QBMDHZYUTBFELW-KRWDZBQOSA-N -1 0 402.450 4.006 50 0 HIAARM C[C@@H](Sc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)C(=O)[O-] ZINC000002860942 557410068 /nfs/dbraw/zinc/41/00/68/557410068.db2.gz MVGORGSLALRDDL-LLVKDONJSA-N -1 0 404.289 4.262 50 0 HIAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cc2c(s1)CCCC2 ZINC000002872584 557415495 /nfs/dbraw/zinc/41/54/95/557415495.db2.gz FEPFRSJLYHGXKA-UHFFFAOYSA-N -1 0 419.553 4.137 50 0 HIAARM CCCOc1ccc(N2C(=O)C[C@H](Nc3cc(Cl)c([O-])c(Cl)c3)C2=O)cc1 ZINC000002878710 557418270 /nfs/dbraw/zinc/41/82/70/557418270.db2.gz WAYDGSBSLAUMHC-INIZCTEOSA-N -1 0 409.269 4.232 50 0 HIAARM COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000004179863 557525374 /nfs/dbraw/zinc/52/53/74/557525374.db2.gz LHGRBARTNZEDSG-KGLIPLIRSA-N -1 0 405.447 4.170 50 0 HIAARM Cc1ccc2nc(-c3ccc(N4C(=O)[C@@H]5CC=CC[C@H]5C4=O)cc3)cc(C(=O)[O-])c2c1 ZINC000004554325 557566741 /nfs/dbraw/zinc/56/67/41/557566741.db2.gz CSTSPRRBUNBSEX-QZTJIDSGSA-N -1 0 412.445 4.364 50 0 HIAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(NC(=O)C2CCCCC2)c(Cl)c1 ZINC000004810044 557600195 /nfs/dbraw/zinc/60/01/95/557600195.db2.gz MHZIAIITEAPSAO-CVEARBPZSA-N -1 0 404.894 4.464 50 0 HIAARM CSc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CCCCC2)cc1 ZINC000006268848 557696996 /nfs/dbraw/zinc/69/69/96/557696996.db2.gz URIUOWDVLJSHJN-UHFFFAOYSA-N -1 0 404.557 4.272 50 0 HIAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc(OC)cc2OC)C1 ZINC000006561188 557708164 /nfs/dbraw/zinc/70/81/64/557708164.db2.gz SEQHDBYRSQMVFP-LFIBNONCSA-N -1 0 404.466 4.326 50 0 HIAARM O=C([O-])CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1F ZINC000008432343 557788490 /nfs/dbraw/zinc/78/84/90/557788490.db2.gz RIIUOJGCFDBRDA-KRWDZBQOSA-N -1 0 419.250 4.131 50 0 HIAARM O=C([O-])c1ccc(Br)c(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 ZINC000008449909 557790775 /nfs/dbraw/zinc/79/07/75/557790775.db2.gz ORGKYRPTBVSDLN-UHFFFAOYSA-N -1 0 415.026 4.255 50 0 HIAARM CCc1nc2sc([C@H](c3ccc(Br)cc3)N3CCCCC3)c([O-])n2n1 ZINC000022853045 557840004 /nfs/dbraw/zinc/84/00/04/557840004.db2.gz JDWCFYFYEDCZKZ-HNNXBMFYSA-N -1 0 421.364 4.397 50 0 HIAARM CCc1nc2sc([C@H](c3ccc(F)cc3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000022855059 557842098 /nfs/dbraw/zinc/84/20/98/557842098.db2.gz FDKPNIWKIWHETQ-IBGZPJMESA-N -1 0 408.502 4.346 50 0 HIAARM O=C([O-])c1ccc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)cc1 ZINC000020494992 558379867 /nfs/dbraw/zinc/37/98/67/558379867.db2.gz WVFQLHSMBGAFFT-DHDCSXOGSA-N -1 0 418.268 4.384 50 0 HIAARM CCCCc1c([O-])nc(SCC(=O)Nc2ccc(C)cc2)n(-c2ccccc2)c1=O ZINC000013766313 558591324 /nfs/dbraw/zinc/59/13/24/558591324.db2.gz MICFUSVXMRUDNY-UHFFFAOYSA-N -1 0 423.538 4.320 50 0 HIAARM CCCOc1c(/C=C2\CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cccc1OCC ZINC000014067378 558616777 /nfs/dbraw/zinc/61/67/77/558616777.db2.gz BLGYQHLKRBVSFP-DTQAZKPQSA-N -1 0 420.465 4.227 50 0 HIAARM O=C([N-]c1nonc1-c1ccc(Cl)cc1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000027663046 558678575 /nfs/dbraw/zinc/67/85/75/558678575.db2.gz JQMLHFPRQPWMIE-UHFFFAOYSA-N -1 0 424.800 4.069 50 0 HIAARM O=C([N-]c1nc(-c2ccc(Br)o2)ns1)c1cc(-c2ccccc2)on1 ZINC000028293770 558698728 /nfs/dbraw/zinc/69/87/28/558698728.db2.gz BIHRWFBIIDBUMV-UHFFFAOYSA-N -1 0 417.244 4.468 50 0 HIAARM CCc1c(C)sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1C(=O)NC1CCCCC1 ZINC000017091514 558820105 /nfs/dbraw/zinc/82/01/05/558820105.db2.gz GWDYEEJGOODYMP-SJORKVTESA-N -1 0 418.559 4.287 50 0 HIAARM CC[C@H]1CCc2c(sc(NC(=O)C[C@@H](C)CC(=O)[O-])c2C(=O)NC2CCCC2)C1 ZINC000017092409 558820824 /nfs/dbraw/zinc/82/08/24/558820824.db2.gz CRBROQWWBFUEQM-KGLIPLIRSA-N -1 0 420.575 4.375 50 0 HIAARM C[C@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(=O)NC1CC1)CC[C@H](C(C)(C)C)C2 ZINC000017092402 558820828 /nfs/dbraw/zinc/82/08/28/558820828.db2.gz BGBSVOSLTMPLKU-STQMWFEESA-N -1 0 420.575 4.231 50 0 HIAARM COc1cc([N-]S(=O)(=O)c2cc(-c3nc(C)cs3)sc2C)cc(OC)c1 ZINC000033169442 558902734 /nfs/dbraw/zinc/90/27/34/558902734.db2.gz JRSWSCULHFKZNV-UHFFFAOYSA-N -1 0 410.542 4.306 50 0 HIAARM Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)c1 ZINC000033253459 558921461 /nfs/dbraw/zinc/92/14/61/558921461.db2.gz IVOIPRRIDSSRSI-UHFFFAOYSA-N -1 0 424.522 4.439 50 0 HIAARM CCCCN(CC)c1ccc(NS(=O)(=O)c2ccc(CC)cc2)cc1C(=O)[O-] ZINC000033253566 558921735 /nfs/dbraw/zinc/92/17/35/558921735.db2.gz QJWKKBGBHYLTRV-UHFFFAOYSA-N -1 0 404.532 4.374 50 0 HIAARM CCCCN(CC)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1C(=O)[O-] ZINC000033253559 558921783 /nfs/dbraw/zinc/92/17/83/558921783.db2.gz WXBAQZSBRDJCSJ-UHFFFAOYSA-N -1 0 404.532 4.429 50 0 HIAARM CCCCN(CC)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(F)ccc1C ZINC000033254011 558922470 /nfs/dbraw/zinc/92/24/70/558922470.db2.gz FLBFDKJGVDPIIN-UHFFFAOYSA-N -1 0 408.495 4.260 50 0 HIAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)o1 ZINC000033263930 558969132 /nfs/dbraw/zinc/96/91/32/558969132.db2.gz ZQCDDGMAWXKZCG-UHFFFAOYSA-N -1 0 402.350 4.071 50 0 HIAARM Cc1nc2sc([C@@H](c3ccc(Br)cc3)N3CCC(C)CC3)c([O-])n2n1 ZINC000023157007 559022025 /nfs/dbraw/zinc/02/20/25/559022025.db2.gz RNXPGXLHEXHRNB-OAHLLOKOSA-N -1 0 421.364 4.389 50 0 HIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2C)c1 ZINC000014252270 559162430 /nfs/dbraw/zinc/16/24/30/559162430.db2.gz NXZXBGBRYNPXMX-CQSZACIVSA-N -1 0 422.934 4.164 50 0 HIAARM O=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000004863456 559193466 /nfs/dbraw/zinc/19/34/66/559193466.db2.gz KQAMXEREHAPPFD-UHFFFAOYSA-N -1 0 416.568 4.248 50 0 HIAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000005324781 560565166 /nfs/dbraw/zinc/56/51/66/560565166.db2.gz XMTJNGXIRBNWLU-IBGZPJMESA-N -1 0 401.422 4.312 50 0 HIAARM COc1ccc(NS(=O)(=O)c2cccc(NC(=O)C34CCC(CC3)C4)c2)cc1 ZINC000005557603 560614188 /nfs/dbraw/zinc/61/41/88/560614188.db2.gz MJTSXJFBSVDCNF-UHFFFAOYSA-N -1 0 400.500 4.015 50 0 HIAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2Cc2ccccc2)ccc1Cl ZINC000005602257 560629156 /nfs/dbraw/zinc/62/91/56/560629156.db2.gz KRZLHIOPGGUGMC-UHFFFAOYSA-N -1 0 401.871 4.430 50 0 HIAARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1CC(=O)Nc1ccc(C)cc1 ZINC000101505465 560796678 /nfs/dbraw/zinc/79/66/78/560796678.db2.gz SEZBRJZBFDNFJQ-UHFFFAOYSA-N -1 0 404.495 4.499 50 0 HIAARM CCc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2cccc(Cl)c2)cc1 ZINC000101836638 560803657 /nfs/dbraw/zinc/80/36/57/560803657.db2.gz UKMYJKPYKRJTJW-LJQANCHMSA-N -1 0 422.872 4.335 50 0 HIAARM COC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000102634926 560818668 /nfs/dbraw/zinc/81/86/68/560818668.db2.gz RESDFTZCQSNLAP-VNQPRFMTSA-N -1 0 413.495 4.292 50 0 HIAARM CCc1ccc(C([O-])=C2CC(=O)Nc3c2c(C)nn3-c2ccc(F)cc2F)s1 ZINC000046057247 568426060 /nfs/dbraw/zinc/42/60/60/568426060.db2.gz CMIBCZSFOVAZMF-CYBMUJFWSA-N -1 0 401.438 4.392 50 0 HIAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1C(=O)Nc1cccc(Cl)c1 ZINC000000627531 568456070 /nfs/dbraw/zinc/45/60/70/568456070.db2.gz NHQAVYIVYSWLTR-HOTGVXAUSA-N -1 0 400.862 4.422 50 0 HIAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1F ZINC000000627284 568456129 /nfs/dbraw/zinc/45/61/29/568456129.db2.gz YKIQTSJVZSMPJZ-UONOGXRCSA-N -1 0 402.397 4.047 50 0 HIAARM Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000033173803 568511717 /nfs/dbraw/zinc/51/17/17/568511717.db2.gz DBGPDOLPJZWQDT-UHFFFAOYSA-N -1 0 405.398 4.405 50 0 HIAARM Cc1nn(C(C)(C)C)c(C)c1S(=O)(=O)[N-]c1sccc1C(=O)OC(C)(C)C ZINC000225390081 568633445 /nfs/dbraw/zinc/63/34/45/568633445.db2.gz GBBSIXWDSLRDIR-UHFFFAOYSA-N -1 0 413.565 4.073 50 0 HIAARM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)Nc1ccc(F)cc1F ZINC000225662164 568661410 /nfs/dbraw/zinc/66/14/10/568661410.db2.gz IBOXIHDPAJIWKW-QGZVFWFLSA-N -1 0 414.456 4.209 50 0 HIAARM CC(=O)c1cc(Br)ccc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000096009476 568683707 /nfs/dbraw/zinc/68/37/07/568683707.db2.gz COULEPXOJZFGNU-UHFFFAOYSA-N -1 0 406.660 4.245 50 0 HIAARM CCO[C@@H]1C[C@@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)[O-])C1(C)C ZINC000685939840 568722333 /nfs/dbraw/zinc/72/23/33/568722333.db2.gz BKLVLQIOXDIYTD-HYBUGGRVSA-N -1 0 409.482 4.184 50 0 HIAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2cc(F)ccc2C)c1-c1nnc(C2CCC2)o1 ZINC000096379725 568741422 /nfs/dbraw/zinc/74/14/22/568741422.db2.gz DQRDICZLHOCGDW-UHFFFAOYSA-N -1 0 404.467 4.197 50 0 HIAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1-c1nnc(C2CCC2)o1 ZINC000096379700 568741425 /nfs/dbraw/zinc/74/14/25/568741425.db2.gz IOUWJNIDLVJORR-UHFFFAOYSA-N -1 0 400.504 4.367 50 0 HIAARM CSc1cccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2-c2nnc(C3CCC3)o2)c1 ZINC000096379709 568741483 /nfs/dbraw/zinc/74/14/83/568741483.db2.gz RYGUHBIKQQDDHK-UHFFFAOYSA-N -1 0 418.544 4.472 50 0 HIAARM CCc1cccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(C)cc3C)c2)c1 ZINC000021931941 568761744 /nfs/dbraw/zinc/76/17/44/568761744.db2.gz XWGLZTWDSPPSGM-UHFFFAOYSA-N -1 0 409.511 4.314 50 0 HIAARM O=S(=O)([N-]c1ccn(Cc2ccc(F)cc2Cl)n1)c1ccc(Cl)cc1 ZINC000002804359 568811655 /nfs/dbraw/zinc/81/16/55/568811655.db2.gz YDCNYCUJLLRCSE-UHFFFAOYSA-N -1 0 400.262 4.178 50 0 HIAARM Cn1cnnc1Sc1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000012508201 568840069 /nfs/dbraw/zinc/84/00/69/568840069.db2.gz GXFPYBMWTPZIIO-UHFFFAOYSA-N -1 0 421.356 4.135 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C[C@H]3C=CCC3)ccc2Cl)cc1 ZINC000012536190 568845443 /nfs/dbraw/zinc/84/54/43/568845443.db2.gz AYBLKYKTRMNYFG-AWEZNQCLSA-N -1 0 420.918 4.444 50 0 HIAARM C[C@H]1CCCN(C(=O)c2ccc3c(c2)[n-]c(=S)n(CCC2=CCCCC2)c3=O)C1 ZINC000003043772 568848147 /nfs/dbraw/zinc/84/81/47/568848147.db2.gz JNVASGAZGAPHHP-INIZCTEOSA-N -1 0 411.571 4.448 50 0 HIAARM O=C([O-])[C@@H](CCO)Sc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 ZINC000012545489 568850247 /nfs/dbraw/zinc/85/02/47/568850247.db2.gz QQEXMTFIQYOFMV-OAHLLOKOSA-N -1 0 403.485 4.002 50 0 HIAARM O=C1CCCN1c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000012552399 568854162 /nfs/dbraw/zinc/85/41/62/568854162.db2.gz NVFMMCDEIVCEFK-UHFFFAOYSA-N -1 0 418.824 4.286 50 0 HIAARM COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000012604580 568870621 /nfs/dbraw/zinc/87/06/21/568870621.db2.gz WUUDGUPJBLLVEY-UHFFFAOYSA-N -1 0 422.812 4.127 50 0 HIAARM CCOC(=O)[C@H]1CCCN(c2nc(-c3cc4ccccc4s3)ccc2C(=O)[O-])C1 ZINC000299775528 568874618 /nfs/dbraw/zinc/87/46/18/568874618.db2.gz DPMZFTOCAWUGKM-HNNXBMFYSA-N -1 0 410.495 4.441 50 0 HIAARM CCCCOc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(OCC)cc1 ZINC000003300085 568875953 /nfs/dbraw/zinc/87/59/53/568875953.db2.gz RVDHPNDYMMHTOA-UHFFFAOYSA-N -1 0 401.488 4.008 50 0 HIAARM Cc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccccc2)c3=O)cc1F ZINC000003630434 568921213 /nfs/dbraw/zinc/92/12/13/568921213.db2.gz IWKBYFAYGQMYBR-UHFFFAOYSA-N -1 0 419.481 4.433 50 0 HIAARM COc1cccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c1 ZINC000095748941 568936312 /nfs/dbraw/zinc/93/63/12/568936312.db2.gz IFSIJILABHCANV-QFIPXVFZSA-N -1 0 403.434 4.360 50 0 HIAARM Cc1csc2nc(-c3ccc([N-]S(=O)(=O)c4cc(F)ccc4F)cc3)cn12 ZINC000004249121 568953859 /nfs/dbraw/zinc/95/38/59/568953859.db2.gz AQJWVZJHEPKQHD-UHFFFAOYSA-N -1 0 405.451 4.450 50 0 HIAARM O=C([O-])CCc1ccc(-c2cccs2)n1NC(=O)c1ccccc1Br ZINC000004258544 568955575 /nfs/dbraw/zinc/95/55/75/568955575.db2.gz LGTOTIULDBEWSN-UHFFFAOYSA-N -1 0 419.300 4.380 50 0 HIAARM CCCCc1c(C)[n-]n(-c2nc(C)c(C(=O)Nc3cccc(C(C)=O)c3)s2)c1=O ZINC000015671481 568962075 /nfs/dbraw/zinc/96/20/75/568962075.db2.gz UKRUOELNXGAJAS-UHFFFAOYSA-N -1 0 412.515 4.449 50 0 HIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccccc2)c1 ZINC000008205787 568982553 /nfs/dbraw/zinc/98/25/53/568982553.db2.gz MNROFIMAYWXMNO-UHFFFAOYSA-N -1 0 416.886 4.402 50 0 HIAARM Cc1sc2[nH]c(Cc3ccc(OCC(=O)[O-])cc3)nc(=O)c2c1-c1ccccc1 ZINC000063579660 568990446 /nfs/dbraw/zinc/99/04/46/568990446.db2.gz DPGGTALVTVLIOS-UHFFFAOYSA-N -1 0 406.463 4.014 50 0 HIAARM CCOc1ccc(NC(=O)C[C@@H](Cc2ccc(Br)cc2)C(=O)[O-])cc1 ZINC000035142367 568999909 /nfs/dbraw/zinc/99/99/09/568999909.db2.gz ZLPRDMRXEHOCBX-CQSZACIVSA-N -1 0 406.276 4.120 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)C4CCC4)cc3C)s2)cc1 ZINC000015862017 569015767 /nfs/dbraw/zinc/01/57/67/569015767.db2.gz KNQMWVXPBQEFFJ-UHFFFAOYSA-N -1 0 415.540 4.453 50 0 HIAARM COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])sc(C)c1-c1ccccc1 ZINC000006184262 569029067 /nfs/dbraw/zinc/02/90/67/569029067.db2.gz NVTOXEGRFFRKOU-HUUCEWRRSA-N -1 0 401.484 4.340 50 0 HIAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2noc(C3CCC3)n2)cs1 ZINC000035557267 569044806 /nfs/dbraw/zinc/04/48/06/569044806.db2.gz BTGODYVPZYWJMM-UHFFFAOYSA-N -1 0 405.501 4.265 50 0 HIAARM Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1 ZINC000006362227 569045913 /nfs/dbraw/zinc/04/59/13/569045913.db2.gz JXWOWEONIUIISM-UHFFFAOYSA-N -1 0 410.495 4.122 50 0 HIAARM C[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000006581390 569067575 /nfs/dbraw/zinc/06/75/75/569067575.db2.gz WCDWVNCDIQBHTK-AWEZNQCLSA-N -1 0 416.449 4.257 50 0 HIAARM CCCC(=O)Nc1ccc(N2CCN(c3cc(Cl)ccc3C)CC2)cc1C(=O)[O-] ZINC000064589343 569069012 /nfs/dbraw/zinc/06/90/12/569069012.db2.gz NLHNTIFKPSYQTE-UHFFFAOYSA-N -1 0 415.921 4.412 50 0 HIAARM Cc1ccccc1C(=O)Nc1ccc(N2CCN(c3ccccc3)CC2)cc1C(=O)[O-] ZINC000064589569 569069055 /nfs/dbraw/zinc/06/90/55/569069055.db2.gz VICQTWIWGBUIET-UHFFFAOYSA-N -1 0 415.493 4.272 50 0 HIAARM COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)[N-]c1cccc(-c2ccno2)c1 ZINC000064979497 569140964 /nfs/dbraw/zinc/14/09/64/569140964.db2.gz WFFPESILAXWKMG-UHFFFAOYSA-N -1 0 411.439 4.114 50 0 HIAARM COc1cc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)s2)cc(OC)c1 ZINC000065004036 569152261 /nfs/dbraw/zinc/15/22/61/569152261.db2.gz KKHIAKJHAJZSLO-UHFFFAOYSA-N -1 0 406.485 4.099 50 0 HIAARM Cc1cccc(-c2nnc3ccc([N-]S(=O)(=O)c4ccc(CC(C)C)cc4)nn32)c1 ZINC000065026172 569156519 /nfs/dbraw/zinc/15/65/19/569156519.db2.gz GGRKRYLZPHMVOZ-UHFFFAOYSA-N -1 0 421.526 4.099 50 0 HIAARM COc1ccc(NC(=O)c2c(=O)[nH]c3sc4c(c3c2[O-])CC[C@@H](C)C4)cc1Cl ZINC000065150418 569184837 /nfs/dbraw/zinc/18/48/37/569184837.db2.gz FDCZGOJZTUZIRK-SECBINFHSA-N -1 0 418.902 4.334 50 0 HIAARM COc1ccc(Cl)cc1NC(=O)c1c(=O)[nH]c2sc3c(c2c1[O-])CC[C@H](C)C3 ZINC000065150438 569184853 /nfs/dbraw/zinc/18/48/53/569184853.db2.gz DZOMCEWJIVTOJY-VIFPVBQESA-N -1 0 418.902 4.334 50 0 HIAARM CCc1ccc(-c2noc(-c3c([O-])c4cnn(-c5ccc(C)cc5)c4[nH]c3=O)n2)cc1 ZINC000065256953 569208589 /nfs/dbraw/zinc/20/85/89/569208589.db2.gz SZONDMFCXAJEIT-UHFFFAOYSA-N -1 0 413.437 4.007 50 0 HIAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCCC2)cc1C(C)C ZINC000007360947 569235207 /nfs/dbraw/zinc/23/52/07/569235207.db2.gz WTQVJTFCZNXCHU-UHFFFAOYSA-N -1 0 416.543 4.246 50 0 HIAARM CCCCC[C@H](NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)C(=O)[O-] ZINC000170592114 569240918 /nfs/dbraw/zinc/24/09/18/569240918.db2.gz KWTOLKOIZXIUGI-AWEZNQCLSA-N -1 0 408.907 4.417 50 0 HIAARM O=C(Cc1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1)NCc1cccs1 ZINC000013850325 569258018 /nfs/dbraw/zinc/25/80/18/569258018.db2.gz OFHLTTPASDNFGZ-UHFFFAOYSA-N -1 0 420.943 4.061 50 0 HIAARM O=S(=O)([N-]c1ccccc1OCC(F)(F)F)c1ccc(Br)s1 ZINC000014205749 569258934 /nfs/dbraw/zinc/25/89/34/569258934.db2.gz AHBKIPZZCGUQBM-UHFFFAOYSA-N -1 0 416.240 4.253 50 0 HIAARM Cc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3cccc(Br)c3)C2)cc1 ZINC000089632057 569261520 /nfs/dbraw/zinc/26/15/20/569261520.db2.gz IBSBFPXPGRDKIQ-SFHVURJKSA-N -1 0 415.287 4.300 50 0 HIAARM CCC[C@H](NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)[O-] ZINC000002097925 569281058 /nfs/dbraw/zinc/28/10/58/569281058.db2.gz NSJSHMCKWGYJML-SFHVURJKSA-N -1 0 413.470 4.075 50 0 biogenic HIAARM Cc1oc2c(cc3c(C)c(CC(=O)NCCCCCC(=O)[O-])c(=O)oc3c2C)c1C ZINC000002157897 569290467 /nfs/dbraw/zinc/29/04/67/569290467.db2.gz INQHRVXOXNUHHN-UHFFFAOYSA-N -1 0 413.470 4.077 50 0 biogenic HIAARM CN(CCCC(=O)[O-])C(=O)c1ccc(Br)cc1Oc1ccc(F)cc1 ZINC000170671218 569297728 /nfs/dbraw/zinc/29/77/28/569297728.db2.gz HVFBSAXEXSQUBR-UHFFFAOYSA-N -1 0 410.239 4.317 50 0 HIAARM O=C([O-])c1cccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)c1 ZINC000002235665 569321535 /nfs/dbraw/zinc/32/15/35/569321535.db2.gz ABYZADUCSIWNSU-UHFFFAOYSA-N -1 0 406.463 4.091 50 0 HIAARM O=S(=O)([N-]c1nnc(-c2ccc(F)c(F)c2)o1)c1cc(Cl)cc(Cl)c1 ZINC000253429503 569368429 /nfs/dbraw/zinc/36/84/29/569368429.db2.gz SPRTWATWUMIKLN-UHFFFAOYSA-N -1 0 406.197 4.122 50 0 HIAARM Cn1c(=O)c(C(=O)N[C@H]2CCCc3c4cccc(Cl)c4[nH]c32)c([O-])c2ccccc21 ZINC000253401304 569388891 /nfs/dbraw/zinc/38/88/91/569388891.db2.gz FNDSLZAJRCICOG-INIZCTEOSA-N -1 0 421.884 4.186 50 0 HIAARM CC[C@@H](C)NC(=O)Nc1ccc2sc([N-]S(=O)(=O)c3ccccc3)nc2c1 ZINC000013361426 569411895 /nfs/dbraw/zinc/41/18/95/569411895.db2.gz YPTJPQQWRRZFLJ-GFCCVEGCSA-N -1 0 404.517 4.017 50 0 HIAARM C[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccccc2)c3=O)[C@H]1C ZINC000334158717 571050339 /nfs/dbraw/zinc/05/03/39/571050339.db2.gz DLVNGUYTERDIKD-GQIGUUNPSA-N -1 0 421.566 4.288 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)c(OC)c1 ZINC000008600191 571089855 /nfs/dbraw/zinc/08/98/55/571089855.db2.gz GZAOULBJRYEBOL-UHFFFAOYSA-N -1 0 402.472 4.085 50 0 HIAARM COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(C)c2)cc1 ZINC000008836412 571123148 /nfs/dbraw/zinc/12/31/48/571123148.db2.gz VCQLVAKSRUBOBQ-UHFFFAOYSA-N -1 0 420.494 4.491 50 0 HIAARM O=C1Nc2ccccc2Oc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc21 ZINC000008961193 571189477 /nfs/dbraw/zinc/18/94/77/571189477.db2.gz FMSGQPJLPPQUPL-UHFFFAOYSA-N -1 0 400.843 4.499 50 0 HIAARM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)Nc2ccccc2O3)s1 ZINC000008961213 571189739 /nfs/dbraw/zinc/18/97/39/571189739.db2.gz YQVGTRXYNZBUTE-UHFFFAOYSA-N -1 0 400.481 4.469 50 0 HIAARM O=C(Nc1ccc(F)c(F)c1)c1cncc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000009151980 571230759 /nfs/dbraw/zinc/23/07/59/571230759.db2.gz CITLNMZZHUZEMN-UHFFFAOYSA-N -1 0 423.828 4.066 50 0 HIAARM O=C([O-])CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(F)cc1 ZINC000009309918 571246969 /nfs/dbraw/zinc/24/69/69/571246969.db2.gz KFZLXJHYNQPXIP-KRWDZBQOSA-N -1 0 419.250 4.131 50 0 HIAARM CN(Cc1ccccc1)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000009356525 571251273 /nfs/dbraw/zinc/25/12/73/571251273.db2.gz AMANFTBECDKOOO-UHFFFAOYSA-N -1 0 414.914 4.413 50 0 HIAARM O=C([O-])CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(F)cc1 ZINC000009367626 571252274 /nfs/dbraw/zinc/25/22/74/571252274.db2.gz KFZLXJHYNQPXIP-QGZVFWFLSA-N -1 0 419.250 4.131 50 0 HIAARM COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1cc(F)ccc1C ZINC000009645771 571276251 /nfs/dbraw/zinc/27/62/51/571276251.db2.gz LHSCMQLMELPNAL-UHFFFAOYSA-N -1 0 405.472 4.450 50 0 HIAARM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)Nc2ccccc2O3)c1 ZINC000009827911 571286614 /nfs/dbraw/zinc/28/66/14/571286614.db2.gz XBHRGPXUAUNHHD-UHFFFAOYSA-N -1 0 424.478 4.416 50 0 HIAARM CC(C)c1ccc(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccccc3)n2)cc1 ZINC000009828706 571287049 /nfs/dbraw/zinc/28/70/49/571287049.db2.gz JNSNKNNWXKVVQU-UHFFFAOYSA-N -1 0 415.540 4.249 50 0 HIAARM COc1ccc(-c2cc([N-]S(=O)(=O)c3c(C)noc3C)ccc2OC(F)F)cc1 ZINC000010515828 571304097 /nfs/dbraw/zinc/30/40/97/571304097.db2.gz WNVGBSKKKAAJHJ-UHFFFAOYSA-N -1 0 424.425 4.369 50 0 HIAARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(C(=O)OCC)cc2)c1=O ZINC000004578412 845064146 /nfs/dbraw/zinc/06/41/46/845064146.db2.gz DGWCCAXXZIJALQ-UHFFFAOYSA-N -1 0 422.481 4.326 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)/C=C/c2ccco2)ccc1C ZINC000006348522 845192470 /nfs/dbraw/zinc/19/24/70/845192470.db2.gz UNGGGTKUIXOCGP-VAWYXSNFSA-N -1 0 412.467 4.049 50 0 HIAARM N#C/C(=C\c1cc(Br)cc([N+](=O)[O-])c1[O-])C(=O)Nc1ccc(Cl)cc1 ZINC000033337490 848134537 /nfs/dbraw/zinc/13/45/37/848134537.db2.gz YQGYHRBPRTXXDF-BJMVGYQFSA-N -1 0 422.622 4.262 50 0 HIAARM Cc1ccccc1NN=Cc1sc(=O)n(Cc2cccc(C(=O)[O-])c2)c1Cl ZINC000254818776 854215226 /nfs/dbraw/zinc/21/52/26/854215226.db2.gz ACWIYMILUIVTKE-UHFFFAOYSA-N -1 0 401.875 4.064 50 0 HIAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 ZINC000004811084 132289205 /nfs/dbraw/zinc/28/92/05/132289205.db2.gz DLWHFPQKKGBCSX-WOJBJXKFSA-N -1 0 406.482 4.109 50 0 HIAARM COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1ccccc1C(F)(F)F ZINC000020581313 523108461 /nfs/dbraw/zinc/10/84/61/523108461.db2.gz UGGJUJSANFZGJJ-UHFFFAOYSA-N -1 0 412.389 4.478 50 0 HIAARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@@H](c2ccc(OC)c(O)c2)CC(=O)N3)cc1 ZINC000040312441 523327439 /nfs/dbraw/zinc/32/74/39/523327439.db2.gz PWCULEPPHWGRNZ-OAHLLOKOSA-N -1 0 408.410 4.022 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCCC4)nn3)cc2)s1 ZINC000020554937 525594788 /nfs/dbraw/zinc/59/47/88/525594788.db2.gz FJFPJBFDDMUJHX-UHFFFAOYSA-N -1 0 414.556 4.305 50 0 HIAARM O=C([O-])[C@H](c1c[nH]c2ccc(Cl)cc21)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000032097328 526315733 /nfs/dbraw/zinc/31/57/33/526315733.db2.gz KOVPSHIYVWJYSP-SNXGKTBFSA-N -1 0 409.917 4.278 50 0 HIAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@@]21C(=O)Nc2ccc(F)cc21 ZINC000032071414 526411699 /nfs/dbraw/zinc/41/16/99/526411699.db2.gz FACNOHASHCKZSI-NRFANRHFSA-N -1 0 408.410 4.482 50 0 HIAARM O=C([O-])C[C@H](NC(=O)c1ncoc1-c1cccs1)c1cccc(Br)c1 ZINC000237995376 527633524 /nfs/dbraw/zinc/63/35/24/527633524.db2.gz SVYHEAMMWQKHMO-LBPRGKRZSA-N -1 0 421.272 4.111 50 0 HIAARM O=C([O-])c1cccc(NC2=C(Cl)C(=O)N(c3ccc(Cl)cc3Cl)C2=O)c1 ZINC000000706907 557064225 /nfs/dbraw/zinc/06/42/25/557064225.db2.gz ULYRPQXDHHXOBB-UHFFFAOYSA-N -1 0 411.628 4.127 50 0 HIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)no1 ZINC000000815687 557090202 /nfs/dbraw/zinc/09/02/02/557090202.db2.gz ZPVSVUQDRSPSFO-UHFFFAOYSA-N -1 0 406.851 4.081 50 0 HIAARM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NCC2CC2)c(Cl)cc1Cl ZINC000001042613 557154261 /nfs/dbraw/zinc/15/42/61/557154261.db2.gz QQRUPDMEHIUKLK-UHFFFAOYSA-N -1 0 413.326 4.242 50 0 HIAARM CCN1c2ccc(S(=O)(=O)[N-]c3nc4ccccc4s3)c3cccc(c23)C1=O ZINC000001098179 557178507 /nfs/dbraw/zinc/17/85/07/557178507.db2.gz USNWPPKYYCOZSO-UHFFFAOYSA-N -1 0 409.492 4.230 50 0 HIAARM CSc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000001160473 557217775 /nfs/dbraw/zinc/21/77/75/557217775.db2.gz NADPTOHHKAXWNY-UHFFFAOYSA-N -1 0 412.536 4.139 50 0 HIAARM CC(=O)c1ccc(N2C(=O)c3ccc(Oc4ccc(C(=O)[O-])cc4)cc3C2=O)cc1 ZINC000001230288 557249029 /nfs/dbraw/zinc/24/90/29/557249029.db2.gz LDZOWEZBMKXGQG-UHFFFAOYSA-N -1 0 401.374 4.180 50 0 HIAARM CC(=O)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000002348999 557339342 /nfs/dbraw/zinc/33/93/42/557339342.db2.gz CQQWWCMNEBFDRG-UHFFFAOYSA-N -1 0 418.478 4.377 50 0 HIAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1cccc(F)c1)c1cccs1 ZINC000002367066 557340975 /nfs/dbraw/zinc/34/09/75/557340975.db2.gz KBILMXBLFRQQCW-UHFFFAOYSA-N -1 0 400.460 4.375 50 0 HIAARM O=C([O-])[C@@H](Cc1cc(F)cc(F)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002569517 557357160 /nfs/dbraw/zinc/35/71/60/557357160.db2.gz UYEQBZISDRNPFC-JOCHJYFZSA-N -1 0 423.415 4.499 50 0 HIAARM Cc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2Br)cc1 ZINC000002685258 557367457 /nfs/dbraw/zinc/36/74/57/557367457.db2.gz NKQGFDFCTOQGOP-UHFFFAOYSA-N -1 0 405.111 4.321 50 0 HIAARM CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000002855427 557406883 /nfs/dbraw/zinc/40/68/83/557406883.db2.gz JDLXOZDEQUYRNO-UHFFFAOYSA-N -1 0 419.553 4.308 50 0 HIAARM COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000003243463 557463450 /nfs/dbraw/zinc/46/34/50/557463450.db2.gz RUKQMASSYOJDDR-UHFFFAOYSA-N -1 0 413.433 4.498 50 0 HIAARM O=C([O-])C[C@@H](CC(=O)NCCc1c[nH]c2ccccc12)c1ccc(C(F)(F)F)cc1 ZINC000004371681 557547969 /nfs/dbraw/zinc/54/79/69/557547969.db2.gz NZCRRRKXHSYHGX-MRXNPFEDSA-N -1 0 418.415 4.494 50 0 HIAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000004611842 557572165 /nfs/dbraw/zinc/57/21/65/557572165.db2.gz SYWWUPQNVCJRLZ-QWHCGFSZSA-N -1 0 409.305 4.402 50 0 HIAARM CC(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000004899634 557611237 /nfs/dbraw/zinc/61/12/37/557611237.db2.gz KCVPASSMLHHOIF-QFIPXVFZSA-N -1 0 405.519 4.301 50 0 HIAARM Cc1ccc(C)c(OCC(=O)Nc2ccccc2C(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000005201045 557639806 /nfs/dbraw/zinc/63/98/06/557639806.db2.gz DHHCFCOJCIJQNL-UHFFFAOYSA-N -1 0 418.449 4.271 50 0 HIAARM O=C([O-])COc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000005894913 557679377 /nfs/dbraw/zinc/67/93/77/557679377.db2.gz FYXBWOQUOQVPTC-SXGWCWSVSA-N -1 0 403.843 4.040 50 0 HIAARM O=C([O-])COc1ccccc1/C=C1\SC(=O)N(Cc2ccc(F)cc2Cl)C1=O ZINC000012629765 558441334 /nfs/dbraw/zinc/44/13/34/558441334.db2.gz ZACWMFXNOSIYRH-APSNUPSMSA-N -1 0 421.833 4.179 50 0 HIAARM COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000012630392 558441631 /nfs/dbraw/zinc/44/16/31/558441631.db2.gz GTGAVUSHFXEJNM-UHFFFAOYSA-N -1 0 422.812 4.127 50 0 HIAARM CCOc1cc(/C=C/C(=O)[O-])c(Br)c(Br)c1OC(C)C ZINC000022077319 558462818 /nfs/dbraw/zinc/46/28/18/558462818.db2.gz GJGWIKSFHXZKQT-AATRIKPKSA-N -1 0 408.086 4.495 50 0 HIAARM O=C([O-])C[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1 ZINC000012981968 558493780 /nfs/dbraw/zinc/49/37/80/558493780.db2.gz OETZFHPLSJOOPQ-CYBMUJFWSA-N -1 0 408.690 4.141 50 0 HIAARM C[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccnc1Cl)c1ccccc1 ZINC000022757443 558508075 /nfs/dbraw/zinc/50/80/75/558508075.db2.gz QIFCAEDSCFDSFR-AWEZNQCLSA-N -1 0 415.902 4.027 50 0 HIAARM CN(C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000023177448 558540655 /nfs/dbraw/zinc/54/06/55/558540655.db2.gz NQAYPLCAKUANGG-UHFFFAOYSA-N -1 0 400.887 4.417 50 0 HIAARM O=C(c1ccccc1)c1ccc(CSc2nnc(Cc3ccccc3)c(=O)[n-]2)cc1 ZINC000013624358 558550617 /nfs/dbraw/zinc/55/06/17/558550617.db2.gz YYPSUDVNYABHMH-UHFFFAOYSA-N -1 0 413.502 4.279 50 0 HIAARM Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(C(=O)[O-])c3)n2C(C)C)c1 ZINC000072191481 558562975 /nfs/dbraw/zinc/56/29/75/558562975.db2.gz ARPYTGNSJAPFPT-UHFFFAOYSA-N -1 0 410.499 4.263 50 0 HIAARM O=C([O-])c1cc(-c2cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)nc2ccccc21 ZINC000013856241 558598190 /nfs/dbraw/zinc/59/81/90/558598190.db2.gz SWZGAQRIOZDMCJ-ROUUACIJSA-N -1 0 400.434 4.280 50 0 HIAARM O=C(NCc1ccccc1)c1cc(C(=O)c2ccccc2[O-])cn2c3ccccc3nc12 ZINC000014017561 558613708 /nfs/dbraw/zinc/61/37/08/558613708.db2.gz STZQRJJVPYTGJL-UHFFFAOYSA-N -1 0 421.456 4.354 50 0 HIAARM CCCc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Sc2nncn2C)cc1 ZINC000014254671 558651153 /nfs/dbraw/zinc/65/11/53/558651153.db2.gz FBCXSFXTDCLBQB-UHFFFAOYSA-N -1 0 422.963 4.373 50 0 HIAARM O=C([O-])c1ccn([C@H]2CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)n1 ZINC000400253878 558662069 /nfs/dbraw/zinc/66/20/69/558662069.db2.gz ZMEYCSDDUDJTGN-INIZCTEOSA-N -1 0 417.465 4.167 50 0 HIAARM Cc1ccc(Nc2ccccc2[N-]S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1 ZINC000026530750 558662360 /nfs/dbraw/zinc/66/23/60/558662360.db2.gz HLEHEDVZPKDUON-UHFFFAOYSA-N -1 0 424.526 4.104 50 0 HIAARM O=S(=O)([N-]c1ccccc1-c1n[nH]c(C2CC2)n1)c1ccccc1OC(F)(F)F ZINC000026541294 558663012 /nfs/dbraw/zinc/66/30/12/558663012.db2.gz YBJMXCGQKFRXMS-UHFFFAOYSA-N -1 0 424.404 4.049 50 0 HIAARM Cc1cc2occ(CC(=O)N(C)Cc3nc(=O)c4sccc4[n-]3)c2cc1C(C)C ZINC000027048833 558669074 /nfs/dbraw/zinc/66/90/74/558669074.db2.gz IGYIUEZCXCHTHS-UHFFFAOYSA-N -1 0 409.511 4.364 50 0 HIAARM COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000001109230 558775027 /nfs/dbraw/zinc/77/50/27/558775027.db2.gz NFKXUBIZTFYIMB-UHFFFAOYSA-N -1 0 413.433 4.498 50 0 HIAARM O=C([O-])c1ccc(CNS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)cc1 ZINC000036293898 558798869 /nfs/dbraw/zinc/79/88/69/558798869.db2.gz GUQRJHKGQSZKRY-UHFFFAOYSA-N -1 0 401.871 4.184 50 0 HIAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)c(OCC)cc2Cl)cc1 ZINC000016780634 558806944 /nfs/dbraw/zinc/80/69/44/558806944.db2.gz VNXCBPVQXLRDJJ-UHFFFAOYSA-N -1 0 418.298 4.370 50 0 HIAARM C[C@@H]1CCc2c(sc(NC(=O)CCCC(=O)[O-])c2C(=O)Nc2ccccc2)C1 ZINC000017081935 558813820 /nfs/dbraw/zinc/81/38/20/558813820.db2.gz CFENELRMQFEOSM-CYBMUJFWSA-N -1 0 400.500 4.319 50 0 HIAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1cnn(Cc2cccc3ccccc32)c1 ZINC000017082666 558814810 /nfs/dbraw/zinc/81/48/10/558814810.db2.gz QYICEYDXNCJDNP-RIBBAFADSA-N -1 0 403.482 4.160 50 0 HIAARM CC[C@@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)NC2CCCCC2)C1 ZINC000017087453 558816312 /nfs/dbraw/zinc/81/63/12/558816312.db2.gz NDVTUPPZPKXWAA-CYBMUJFWSA-N -1 0 406.548 4.129 50 0 HIAARM Cc1sc(NC(=O)CCC(=O)[O-])c(C(=O)NCc2ccco2)c1-c1ccccc1 ZINC000017089148 558817780 /nfs/dbraw/zinc/81/77/80/558817780.db2.gz CMLZXPOZZACGQC-UHFFFAOYSA-N -1 0 412.467 4.050 50 0 HIAARM CCc1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)cc1 ZINC000017090723 558819449 /nfs/dbraw/zinc/81/94/49/558819449.db2.gz SXNXJHSRGNDURM-UHFFFAOYSA-N -1 0 416.528 4.155 50 0 HIAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CCC2 ZINC000017091528 558820101 /nfs/dbraw/zinc/82/01/01/558820101.db2.gz LMMIJIBZCJXJOF-HUUCEWRRSA-N -1 0 418.559 4.129 50 0 HIAARM Cc1ccccc1NC(=O)c1c2c(sc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])CCC2 ZINC000017094007 558822326 /nfs/dbraw/zinc/82/23/26/558822326.db2.gz IXKKCWRYIPXVKD-GJZGRUSLSA-N -1 0 424.522 4.403 50 0 HIAARM Cc1ccc(NC(=O)c2c3c(sc2NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])CCC3)cc1 ZINC000017093989 558822372 /nfs/dbraw/zinc/82/23/72/558822372.db2.gz ADBCIAIEDYZEHA-CVEARBPZSA-N -1 0 424.522 4.403 50 0 HIAARM CCCCN(C)c1cc(C(=O)[O-])c2cc(NC(=O)c3ccc(OC)cc3)ccc2n1 ZINC000033010250 558829621 /nfs/dbraw/zinc/82/96/21/558829621.db2.gz PIEYTLRSJWRTRK-UHFFFAOYSA-N -1 0 407.470 4.430 50 0 HIAARM CCCCC(=O)Nc1ccc(N2CCN(c3cc(C)ccc3C)CC2)c(C(=O)[O-])c1 ZINC000033078576 558868105 /nfs/dbraw/zinc/86/81/05/558868105.db2.gz PTWMZLVEHDNFCT-UHFFFAOYSA-N -1 0 409.530 4.457 50 0 HIAARM CC(C)Oc1ccc([C@@H](CC(=O)[O-])NC(=O)CSc2nc3ccccc3o2)cc1 ZINC000004689408 558899384 /nfs/dbraw/zinc/89/93/84/558899384.db2.gz MUEMWVOOZHLCLD-QGZVFWFLSA-N -1 0 414.483 4.039 50 0 HIAARM CCCCN(CC)c1ccc(NS(=O)(=O)c2ccc(OCC)cc2)cc1C(=O)[O-] ZINC000033253569 558921630 /nfs/dbraw/zinc/92/16/30/558921630.db2.gz JCFPYPXWXBEWLH-UHFFFAOYSA-N -1 0 420.531 4.211 50 0 HIAARM CC(C)CN(CC(C)C)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000033253577 558921749 /nfs/dbraw/zinc/92/17/49/558921749.db2.gz QERLVPNXHBLJSA-UHFFFAOYSA-N -1 0 422.522 4.443 50 0 HIAARM Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC[C@@H](C)C2)cc1C ZINC000033253968 558922291 /nfs/dbraw/zinc/92/22/91/558922291.db2.gz USUUQQUPBKFNHU-CQSZACIVSA-N -1 0 416.543 4.347 50 0 HIAARM O=C([O-])c1cc(-c2cccc3cccnc32)cc(S(=O)(=O)N2CCCCCC2)c1 ZINC000072122590 558928115 /nfs/dbraw/zinc/92/81/15/558928115.db2.gz AGUBKERTXWYPSW-UHFFFAOYSA-N -1 0 410.495 4.165 50 0 HIAARM Cc1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1Br ZINC000023077690 558999195 /nfs/dbraw/zinc/99/91/95/558999195.db2.gz AEQQLCYGICHTKD-UHFFFAOYSA-N -1 0 405.111 4.321 50 0 HIAARM CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2cccc(F)c2)s1 ZINC000033306403 559051457 /nfs/dbraw/zinc/05/14/57/559051457.db2.gz BZNFXWRVIKGIAP-SOFGYWHQSA-N -1 0 421.475 4.113 50 0 HIAARM Cc1ncc(C(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)c(-c2ccccc2)n1 ZINC000095375033 559080396 /nfs/dbraw/zinc/08/03/96/559080396.db2.gz FJQQZHFMONYJCP-FQEVSTJZSA-N -1 0 401.466 4.170 50 0 HIAARM CCCOc1cc(Nc2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)nc(C)n1 ZINC000011613294 559113960 /nfs/dbraw/zinc/11/39/60/559113960.db2.gz DNRVYIVKOIRIHL-UHFFFAOYSA-N -1 0 416.478 4.257 50 0 HIAARM Cc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000004837062 559166214 /nfs/dbraw/zinc/16/62/14/559166214.db2.gz DUEQMTAWLNEZHY-GOSISDBHSA-N -1 0 415.287 4.300 50 0 HIAARM Cc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000004837061 559166241 /nfs/dbraw/zinc/16/62/41/559166241.db2.gz DUEQMTAWLNEZHY-SFHVURJKSA-N -1 0 415.287 4.300 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=S)NC2CCCCC2)c1 ZINC000004865376 559193692 /nfs/dbraw/zinc/19/36/92/559193692.db2.gz GGXDEVWZTUHWNZ-UHFFFAOYSA-N -1 0 419.572 4.115 50 0 HIAARM Cc1nc(-c2cccc(NS(=O)(=O)c3cc(C(=O)[O-])cc(C)c3C)c2)cs1 ZINC000005135127 559250310 /nfs/dbraw/zinc/25/03/10/559250310.db2.gz IFBXYEKMJJFSNM-UHFFFAOYSA-N -1 0 402.497 4.234 50 0 HIAARM CCCCSc1nnc([N-]C(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)s1 ZINC000011915987 559267217 /nfs/dbraw/zinc/26/72/17/559267217.db2.gz PDPCDMOMVOEOBY-UHFFFAOYSA-N -1 0 418.500 4.109 50 0 HIAARM C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3C(=O)C[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@]21C ZINC000011616478 560211301 /nfs/dbraw/zinc/21/13/01/560211301.db2.gz OHXPGWPVLFPUSM-NNOJYHOVSA-N -1 0 402.531 4.073 50 0 in-vitro HIAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000018157616 560780409 /nfs/dbraw/zinc/78/04/09/560780409.db2.gz WVDCHGCGSPYTKZ-GASCZTMLSA-N -1 0 404.507 4.053 50 0 HIAARM Cc1ccc(C)c(NC(=O)c2c([O-])c3cccnc3n(-c3cccc(F)c3)c2=O)c1 ZINC000101722384 560798831 /nfs/dbraw/zinc/79/88/31/560798831.db2.gz FITWAQFQUPVCHM-UHFFFAOYSA-N -1 0 403.413 4.100 50 0 HIAARM O=C([O-])C1(CC(=O)Nc2ccc(Br)cc2Br)CCCC1 ZINC000013253607 560804271 /nfs/dbraw/zinc/80/42/71/560804271.db2.gz ULEBKPUEYVEQOZ-UHFFFAOYSA-N -1 0 405.086 4.185 50 0 HIAARM C[C@@H]1Cc2ccccc2N1C(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000024442396 560818721 /nfs/dbraw/zinc/81/87/21/560818721.db2.gz ZEWGRLXAAJZGGX-OAHLLOKOSA-N -1 0 412.536 4.069 50 0 HIAARM Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C)cc2)c1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000049003349 568446449 /nfs/dbraw/zinc/44/64/49/568446449.db2.gz NLUJWFWIIINWRP-UHFFFAOYSA-N -1 0 418.906 4.041 50 0 HIAARM O=C([O-])c1cccc(NC2=N[C@@H]3C=CC(Br)=C[C@H]3C(c3ccccc3)=N2)c1 ZINC000049688569 568453278 /nfs/dbraw/zinc/45/32/78/568453278.db2.gz LHOBALDGMQFXPX-QZTJIDSGSA-N -1 0 422.282 4.489 50 0 HIAARM Cc1nc([N-]S(=O)(=O)c2ccccc2)sc1NC(=O)Nc1ccc(C)cc1 ZINC000000658208 568459951 /nfs/dbraw/zinc/45/99/51/568459951.db2.gz MMXAGMPCGULSIO-UHFFFAOYSA-N -1 0 402.501 4.205 50 0 HIAARM Cc1c([N-]S(=O)(=O)c2ccc(F)cc2Br)[nH]nc1-c1ccccc1 ZINC000095444333 568611444 /nfs/dbraw/zinc/61/14/44/568611444.db2.gz KCVWWDBLIRGQQB-UHFFFAOYSA-N -1 0 410.268 4.088 50 0 HIAARM O=S(=O)([N-]c1cc(C2CCCC2)[nH]n1)c1cccc(Br)c1Cl ZINC000225399614 568634258 /nfs/dbraw/zinc/63/42/58/568634258.db2.gz NFAGTDXIZLDYKI-UHFFFAOYSA-N -1 0 404.717 4.284 50 0 HIAARM Cc1cc(I)ccc1Nc1c(F)c(F)c(F)cc1C(=O)[O-] ZINC000000582829 568720163 /nfs/dbraw/zinc/72/01/63/568720163.db2.gz IKYHHUKKYADHCL-UHFFFAOYSA-N -1 0 407.129 4.459 50 0 HIAARM Cc1ccc2cc(C(=O)N[C@H](CC(=O)[O-])c3cccc(Br)c3)[nH]c2c1 ZINC000237892267 568725719 /nfs/dbraw/zinc/72/57/19/568725719.db2.gz URFRBDGURBSRMX-MRXNPFEDSA-N -1 0 401.260 4.185 50 0 HIAARM Cc1cccc(Cn2nc(CNCc3ccc(C(=O)[O-])cc3)c(-c3ccccc3)n2)c1 ZINC000247884714 568745798 /nfs/dbraw/zinc/74/57/98/568745798.db2.gz CXVRPDOYBZDCHU-UHFFFAOYSA-N -1 0 412.493 4.290 50 0 HIAARM O=S(=O)([N-]c1nnc(CCc2ccccc2)s1)c1cc(Cl)ccc1Cl ZINC000028250733 568783575 /nfs/dbraw/zinc/78/35/75/568783575.db2.gz FQFGKOAGCNLIQJ-UHFFFAOYSA-N -1 0 414.339 4.431 50 0 HIAARM O=C([O-])c1ccc(NC(=O)/C(=C/c2cccnc2Cl)C(=O)Nc2ccccc2)cc1 ZINC000215738902 568796128 /nfs/dbraw/zinc/79/61/28/568796128.db2.gz HIGIXTUQRPUAOK-QGOAFFKASA-N -1 0 421.840 4.094 50 0 HIAARM CC[C@H](C(=O)[O-])n1cnc2sc(C)c(-c3ccc(Br)cc3)c2c1=O ZINC000002887390 568814541 /nfs/dbraw/zinc/81/45/41/568814541.db2.gz YXUSALHHFJDNEU-GFCCVEGCSA-N -1 0 407.289 4.232 50 0 HIAARM COc1cccc(CNC(=O)CCCCCn2c(=O)c3sccc3[n-]c2=S)c1 ZINC000002925573 568817444 /nfs/dbraw/zinc/81/74/44/568817444.db2.gz UWFVKVLJFYYWEU-UHFFFAOYSA-N -1 0 417.556 4.006 50 0 HIAARM CCOC(=O)[C@]([N-]c1ccccc1C(F)(F)F)(NC(=O)CC(C)C)C(F)(F)F ZINC000001880487 568839084 /nfs/dbraw/zinc/83/90/84/568839084.db2.gz AHUVPIDQBFSFNI-HNNXBMFYSA-N -1 0 414.346 4.101 50 0 HIAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc2oc(C)nc2c1 ZINC000012544768 568850061 /nfs/dbraw/zinc/85/00/61/568850061.db2.gz NIXHLNROCQGTDC-UHFFFAOYSA-N -1 0 411.277 4.098 50 0 HIAARM Cc1oc2cc(O[C@@H](C)C(=O)[O-])ccc2c(=O)c1-c1ccc(Br)cc1 ZINC000003653132 568866466 /nfs/dbraw/zinc/86/64/66/568866466.db2.gz FRWVUKOWTBITIR-NSHDSACASA-N -1 0 403.228 4.383 50 0 HIAARM CCCn1cc(C(=O)c2ccccc2[O-])cc1-c1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000012588868 568867928 /nfs/dbraw/zinc/86/79/28/568867928.db2.gz IJTAQHRBAHGKDE-UHFFFAOYSA-N -1 0 407.857 4.392 50 0 HIAARM CN(Cc1ccccc1F)C(=O)c1cc(Br)cc(Br)c1[O-] ZINC000003427113 568900752 /nfs/dbraw/zinc/90/07/52/568900752.db2.gz ZLCFDKMJMDEUKC-UHFFFAOYSA-N -1 0 417.072 4.329 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccc2)cc1 ZINC000004110081 568943925 /nfs/dbraw/zinc/94/39/25/568943925.db2.gz COIAJEZINSCQDA-UHFFFAOYSA-N -1 0 423.416 4.315 50 0 HIAARM O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000084387959 568948427 /nfs/dbraw/zinc/94/84/27/568948427.db2.gz FWNRNFCXNSODQP-CQSZACIVSA-N -1 0 419.915 4.298 50 0 HIAARM CCCCOc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2OC)cc1 ZINC000008132578 568975924 /nfs/dbraw/zinc/97/59/24/568975924.db2.gz ZBUJCUCUCROBRY-UHFFFAOYSA-N -1 0 414.321 4.437 50 0 HIAARM COC(=O)c1c(=O)c2cc(Cl)ccc2[n-]c1SCC(=O)Nc1ccccc1C ZINC000015731454 568981837 /nfs/dbraw/zinc/98/18/37/568981837.db2.gz WKTJMDLLAUBXAC-UHFFFAOYSA-N -1 0 416.886 4.420 50 0 HIAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cc(-c3ccno3)sc2C)c1 ZINC000085651105 569005798 /nfs/dbraw/zinc/00/57/98/569005798.db2.gz XUFDZAQMCZTYGI-UHFFFAOYSA-N -1 0 408.501 4.310 50 0 HIAARM O=C(Nc1ccccc1)Nc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000012821970 569006064 /nfs/dbraw/zinc/00/60/64/569006064.db2.gz OWBVLXBQITWCDN-UHFFFAOYSA-N -1 0 403.410 4.410 50 0 HIAARM COC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])sc(C)c1-c1ccccc1 ZINC000006184279 569029045 /nfs/dbraw/zinc/02/90/45/569029045.db2.gz NVTOXEGRFFRKOU-LSDHHAIUSA-N -1 0 401.484 4.340 50 0 HIAARM Cc1cccc(S(=O)(=O)Nc2cnc(N(CC(C)C)CC(C)C)c(C(=O)[O-])c2)c1 ZINC000035397527 569034992 /nfs/dbraw/zinc/03/49/92/569034992.db2.gz VFMWBOHOIYTXSK-UHFFFAOYSA-N -1 0 419.547 4.007 50 0 HIAARM COc1ccc(Br)cc1-c1nc(CSc2nc(C)cc(=O)[nH]2)c(C)o1 ZINC000035480811 569039379 /nfs/dbraw/zinc/03/93/79/569039379.db2.gz HWDFNDUUOXJSRK-UHFFFAOYSA-N -1 0 422.304 4.105 50 0 HIAARM CCCCOc1ccc(S(=O)(=O)[N-]c2cnc(Oc3ccccc3F)nc2)cc1 ZINC000090607754 569042080 /nfs/dbraw/zinc/04/20/80/569042080.db2.gz RNXMDATYYWORQE-UHFFFAOYSA-N -1 0 417.462 4.388 50 0 HIAARM Cc1c(C(=O)[O-])sc2nc3n(c(=O)c12)CC/C3=C/c1cccc(C(F)(F)F)c1 ZINC000103085212 569042619 /nfs/dbraw/zinc/04/26/19/569042619.db2.gz KQGHYROVASEVIT-XFFZJAGNSA-N -1 0 406.385 4.428 50 0 HIAARM O=S(=O)([N-]c1ccc(Cl)cn1)c1cc(-c2noc(C3CCCC3)n2)cs1 ZINC000035512749 569043175 /nfs/dbraw/zinc/04/31/75/569043175.db2.gz ZFOFFTSUQWMVNL-UHFFFAOYSA-N -1 0 410.908 4.305 50 0 HIAARM CN(Cc1ccccc1)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000006343634 569043741 /nfs/dbraw/zinc/04/37/41/569043741.db2.gz JNVMSTVRJOUZIQ-UHFFFAOYSA-N -1 0 416.449 4.038 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(-c2noc(C3CCCC3)n2)cs1 ZINC000035557625 569044850 /nfs/dbraw/zinc/04/48/50/569044850.db2.gz HLFRBJDRFTYTEU-UHFFFAOYSA-N -1 0 405.501 4.265 50 0 HIAARM COc1ccccc1NC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006471379 569058006 /nfs/dbraw/zinc/05/80/06/569058006.db2.gz UMZOLARFVXBNKA-UHFFFAOYSA-N -1 0 415.446 4.279 50 0 HIAARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1cccc([N+](=O)[O-])c1C ZINC000252623547 569060859 /nfs/dbraw/zinc/06/08/59/569060859.db2.gz OTVWQQPUHZGRHF-UHFFFAOYSA-N -1 0 420.454 4.217 50 0 HIAARM O=C(Nc1ccc(F)cc1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000006551263 569065396 /nfs/dbraw/zinc/06/53/96/569065396.db2.gz STAMFLVMTLWCPO-UHFFFAOYSA-N -1 0 406.385 4.157 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1 ZINC000006623333 569075082 /nfs/dbraw/zinc/07/50/82/569075082.db2.gz YVDCJZUBSUONFO-UHFFFAOYSA-N -1 0 411.483 4.448 50 0 HIAARM COc1ccc(-c2coc3c2c(C)cc2oc(=O)c(CC(=O)[O-])c(C)c32)cc1OC ZINC000006624313 569075548 /nfs/dbraw/zinc/07/55/48/569075548.db2.gz GVIHBLNXAZESGD-UHFFFAOYSA-N -1 0 408.406 4.467 50 0 biogenic HIAARM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCC4)o3)s2)c1 ZINC000064920538 569121177 /nfs/dbraw/zinc/12/11/77/569121177.db2.gz JLDBGHNACBYUCS-UHFFFAOYSA-N -1 0 403.485 4.069 50 0 HIAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(-c3cnc(C)o3)s2)cc1Cl ZINC000065003761 569152185 /nfs/dbraw/zinc/15/21/85/569152185.db2.gz XJFVMBMDDZASPW-UHFFFAOYSA-N -1 0 414.892 4.183 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3nnc(C4CC4)o3)cs2)cc1Cl ZINC000065098728 569176890 /nfs/dbraw/zinc/17/68/90/569176890.db2.gz VQQOJDURZMHTMH-UHFFFAOYSA-N -1 0 411.892 4.138 50 0 HIAARM Cc1ccc([N-]S(=O)(=O)c2cc3c(s2)CCN(C(=O)C2CCC2)C3)cc1Cl ZINC000065196277 569194529 /nfs/dbraw/zinc/19/45/29/569194529.db2.gz BAHRARDLLQDILP-UHFFFAOYSA-N -1 0 424.975 4.196 50 0 HIAARM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CCC1)C2 ZINC000065196276 569194620 /nfs/dbraw/zinc/19/46/20/569194620.db2.gz FUBJUKFZPBVUNU-UHFFFAOYSA-N -1 0 424.975 4.196 50 0 HIAARM O=C(NCc1ccccc1Cl)c1c([O-])c2sccc2n(Cc2ccccc2)c1=O ZINC000065215684 569197596 /nfs/dbraw/zinc/19/75/96/569197596.db2.gz BZNYFQBPPILWJC-UHFFFAOYSA-N -1 0 424.909 4.400 50 0 HIAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2nnc(C3CCC3)o2)o1 ZINC000065246415 569205517 /nfs/dbraw/zinc/20/55/17/569205517.db2.gz QOOISILRWYLIBA-UHFFFAOYSA-N -1 0 409.851 4.060 50 0 HIAARM CCCCC[C@@H](NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)C(=O)[O-] ZINC000170592115 569240972 /nfs/dbraw/zinc/24/09/72/569240972.db2.gz KWTOLKOIZXIUGI-CQSZACIVSA-N -1 0 408.907 4.417 50 0 HIAARM CCc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3ccc(OC)cc3OC)C2)cc1 ZINC000170614235 569247045 /nfs/dbraw/zinc/24/70/45/569247045.db2.gz IVLSYZBVBDFIQQ-NRFANRHFSA-N -1 0 424.497 4.199 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccc(C)cc2)ccc1C ZINC000089629679 569261300 /nfs/dbraw/zinc/26/13/00/569261300.db2.gz UIVSVAGWLQPCQH-UHFFFAOYSA-N -1 0 410.495 4.365 50 0 HIAARM O=C([O-])CCC(=O)N1N=C(c2cccc(Br)c2)C[C@H]1c1cccc(F)c1 ZINC000089774880 569263432 /nfs/dbraw/zinc/26/34/32/569263432.db2.gz NBLBUUUEPZAYAT-KRWDZBQOSA-N -1 0 419.250 4.131 50 0 HIAARM O=C(NCc1ccc(Cl)cc1)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O ZINC000016839932 569264366 /nfs/dbraw/zinc/26/43/66/569264366.db2.gz NKDONMOYEMTMAE-UHFFFAOYSA-N -1 0 404.853 4.280 50 0 HIAARM COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)[O-] ZINC000016915306 569267300 /nfs/dbraw/zinc/26/73/00/569267300.db2.gz UFZWDTIPYLNTTP-LZYBPNLTSA-N -1 0 419.842 4.053 50 0 HIAARM O=C(c1ccco1)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc21 ZINC000017169612 569276076 /nfs/dbraw/zinc/27/60/76/569276076.db2.gz WGBUJFUIMSILTR-UHFFFAOYSA-N -1 0 422.915 4.388 50 0 HIAARM CC[C@@H](C)[C@H](NC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002097179 569281010 /nfs/dbraw/zinc/28/10/10/569281010.db2.gz XRGJSCAGGOPVAT-WYRIXSBYSA-N -1 0 413.470 4.013 50 0 biogenic HIAARM O=S(=O)([N-]c1cc2nc3ccccc3nc2n1Cc1ccccc1)c1ccccc1 ZINC000002316758 569373143 /nfs/dbraw/zinc/37/31/43/569373143.db2.gz UDMWGWVSQAZLRW-UHFFFAOYSA-N -1 0 414.490 4.434 50 0 HIAARM COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccsc3C(=O)[O-])cc2)cc1 ZINC000008857286 569390602 /nfs/dbraw/zinc/39/06/02/569390602.db2.gz GIFTWQMBLWPOFV-UHFFFAOYSA-N -1 0 405.453 4.048 50 0 HIAARM O=C([O-])CCCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccc(Br)c1 ZINC000079112348 569428255 /nfs/dbraw/zinc/42/82/55/569428255.db2.gz MYKGSWUNMVBYIN-HNNXBMFYSA-N -1 0 421.316 4.443 50 0 HIAARM Cc1cc(C)nc([N-]c2n[nH]c(-c3ccc(NC(=O)C=Cc4ccccc4)cc3)n2)n1 ZINC000008560248 571081184 /nfs/dbraw/zinc/08/11/84/571081184.db2.gz BIFJOKYKXYCJFH-MDWZMJQESA-N -1 0 411.469 4.274 50 0 HIAARM O=C(N[C@@H]1CCCc2ccccc21)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000040142943 571193491 /nfs/dbraw/zinc/19/34/91/571193491.db2.gz BMBIVCRSJNPCPB-LJQANCHMSA-N -1 0 412.536 4.356 50 0 HIAARM CCCN1c2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2OCC(C)(C)C1=O ZINC000009167450 571233198 /nfs/dbraw/zinc/23/31/98/571233198.db2.gz FRKCZQLEPFNKCS-UHFFFAOYSA-N -1 0 422.934 4.302 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2Br)cc1 ZINC000009283721 571244809 /nfs/dbraw/zinc/24/48/09/571244809.db2.gz RIHWYTUVMDEFNS-UHFFFAOYSA-N -1 0 421.110 4.021 50 0 HIAARM CCOC(=O)c1sc([N-]c2ncc(C(=O)Nc3ccccc3C)c(C)n2)nc1C ZINC000009331829 571248757 /nfs/dbraw/zinc/24/87/57/571248757.db2.gz XJBNIUAIBDAXGQ-UHFFFAOYSA-N -1 0 411.487 4.031 50 0 HIAARM Cc1c(-c2csc(NC(=O)Cc3ccccc3C(=O)[O-])n2)c2ccccc2n1C ZINC000071280130 571290522 /nfs/dbraw/zinc/29/05/22/571290522.db2.gz CQZAWQLENVLNPU-UHFFFAOYSA-N -1 0 405.479 4.490 50 0 HIAARM O=C(Nc1ccc(F)cc1F)c1c([O-])c2sccc2n(Cc2ccccc2)c1=O ZINC000071328621 571292644 /nfs/dbraw/zinc/29/26/44/571292644.db2.gz WDQQTKHUNKNKTL-UHFFFAOYSA-N -1 0 412.417 4.347 50 0 HIAARM Cc1nc([N-]S(=O)(=O)c2ccccc2)sc1NC(=O)Nc1ccccc1C ZINC000001125105 845002493 /nfs/dbraw/zinc/00/24/93/845002493.db2.gz YDLYLOMGFDEKPQ-UHFFFAOYSA-N -1 0 402.501 4.205 50 0 HIAARM O=C1OC(c2ccccc2)=N/C1=C\c1cc(Br)cc(Br)c1[O-] ZINC000022341030 846558535 /nfs/dbraw/zinc/55/85/35/846558535.db2.gz SRPURPRVWVIXRU-QPEQYQDCSA-N -1 0 423.060 4.262 50 0 HIAARM CCC(=O)N/C(=C/c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)[O-] ZINC000214108772 853828880 /nfs/dbraw/zinc/82/88/80/853828880.db2.gz FLNLERDJIUJDES-VGOFMYFVSA-N -1 0 414.767 4.498 50 0 HIAARM Cc1ccc(C)c(CN2C(=O)COc3ccc(C(=O)c4ccccc4C(=O)[O-])cc32)c1 ZINC000002513377 132255273 /nfs/dbraw/zinc/25/52/73/132255273.db2.gz QEFSFDLLHLAHIG-UHFFFAOYSA-N -1 0 415.445 4.158 50 0 HIAARM O=C(c1cccs1)N1CCCc2ccc([N-]S(=O)(=O)c3ccccc3F)cc21 ZINC000005136549 132302818 /nfs/dbraw/zinc/30/28/18/132302818.db2.gz RGDFCZFMFGIUIZ-UHFFFAOYSA-N -1 0 416.499 4.281 50 0 HIAARM CC(C)(C)O[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1C(=O)[O-] ZINC000044563899 518885880 /nfs/dbraw/zinc/88/58/80/518885880.db2.gz DTOQXZRPBAMOGM-RTWAWAEBSA-N -1 0 409.482 4.278 50 0 HIAARM COC(=O)C[C@H](NC(=O)c1cc(Cl)c([O-])c(Cl)c1)c1ccccc1Cl ZINC000032904316 523336186 /nfs/dbraw/zinc/33/61/86/523336186.db2.gz HQLCDHAXZVHJAJ-AWEZNQCLSA-N -1 0 402.661 4.387 50 0 HIAARM Cc1ccsc1CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000032716705 525838759 /nfs/dbraw/zinc/83/87/59/525838759.db2.gz RVVFNSAUEDIZCV-UHFFFAOYSA-N -1 0 406.554 4.191 50 0 HIAARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccccc1C ZINC000000853279 526087987 /nfs/dbraw/zinc/08/79/87/526087987.db2.gz ARZWVYNYICWVTE-MOSHPQCFSA-N -1 0 417.440 4.208 50 0 HIAARM O=C(NCCSc1ccccc1)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000044944836 526375003 /nfs/dbraw/zinc/37/50/03/526375003.db2.gz ALXHNHSAXMDSHG-UHFFFAOYSA-N -1 0 418.565 4.071 50 0 HIAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@]21C(=O)Nc2ccc(F)cc21 ZINC000032071416 526412113 /nfs/dbraw/zinc/41/21/13/526412113.db2.gz FACNOHASHCKZSI-OAQYLSRUSA-N -1 0 408.410 4.482 50 0 HIAARM O=C([O-])CCOc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)cc1 ZINC000032931548 527592328 /nfs/dbraw/zinc/59/23/28/527592328.db2.gz OSIKQOQZCQAQSV-NTCAYCPXSA-N -1 0 412.445 4.410 50 0 HIAARM O=C([O-])[C@@H](Cc1ccccc1Cl)S[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000020219892 527649050 /nfs/dbraw/zinc/64/90/50/527649050.db2.gz RTEUITFUJNGHCD-HZPDHXFCSA-N -1 0 424.305 4.054 50 0 HIAARM O=C([O-])c1cccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)c1 ZINC000001118270 557189065 /nfs/dbraw/zinc/18/90/65/557189065.db2.gz JZWJGKUCOZSMIB-UHFFFAOYSA-N -1 0 406.463 4.091 50 0 HIAARM O=S(=O)([N-]c1nnc(Cc2ccc(Cl)cc2)s1)c1ccc(Cl)cc1 ZINC000001146456 557208142 /nfs/dbraw/zinc/20/81/42/557208142.db2.gz OANPNYSPHQZKPR-UHFFFAOYSA-N -1 0 400.312 4.237 50 0 HIAARM Cc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cn2)c1 ZINC000001196760 557237982 /nfs/dbraw/zinc/23/79/82/557237982.db2.gz QCZREWLSUICOCQ-UHFFFAOYSA-N -1 0 415.902 4.405 50 0 HIAARM O=C(/C=C/c1ccccc1)N/C(=C/c1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000002999032 557439385 /nfs/dbraw/zinc/43/93/85/557439385.db2.gz DYGLHPINCRAYQH-JWJKVXABSA-N -1 0 412.445 4.194 50 0 HIAARM CC(C)COc1cccc(-c2nnc(CCC(=O)N[C@@H](C)c3ccccc3)c(=O)[n-]2)c1 ZINC000034765549 557462188 /nfs/dbraw/zinc/46/21/88/557462188.db2.gz QMXLPSKREMGCLP-KRWDZBQOSA-N -1 0 420.513 4.089 50 0 HIAARM O=C([O-])c1ccc(COc2ccccc2/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000004715124 557586124 /nfs/dbraw/zinc/58/61/24/557586124.db2.gz SFNBDCAQGZDREX-XSFVSMFZSA-N -1 0 414.417 4.061 50 0 HIAARM O=C([O-])[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OCc1ccccc1 ZINC000004899583 557611251 /nfs/dbraw/zinc/61/12/51/557611251.db2.gz IPAODWFPTVIUSZ-JOCHJYFZSA-N -1 0 405.450 4.188 50 0 HIAARM CCCCC1CCC(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)CC1 ZINC000005028184 557627556 /nfs/dbraw/zinc/62/75/56/557627556.db2.gz BPHHPJBKYCEXIE-UHFFFAOYSA-N -1 0 416.547 4.213 50 0 HIAARM CCOc1ccc2nc(SCC(=O)Nc3cc(C(=O)[O-])ccc3C)sc2c1 ZINC000005059912 557632358 /nfs/dbraw/zinc/63/23/58/557632358.db2.gz MZMRMTUXGLAJPP-UHFFFAOYSA-N -1 0 402.497 4.432 50 0 HIAARM O=C([O-])CSc1nnc(COc2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000005338140 557645621 /nfs/dbraw/zinc/64/56/21/557645621.db2.gz UJALGJNLBYVKBH-UHFFFAOYSA-N -1 0 410.282 4.330 50 0 HIAARM O=C([O-])[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC000584904475 557742326 /nfs/dbraw/zinc/74/23/26/557742326.db2.gz DMZKZVOMYNYIME-BNBDDXAPSA-N -1 0 416.886 4.115 50 0 HIAARM O=C([O-])CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1F ZINC000008432345 557788445 /nfs/dbraw/zinc/78/84/45/557788445.db2.gz RIIUOJGCFDBRDA-QGZVFWFLSA-N -1 0 419.250 4.131 50 0 HIAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 ZINC000009230975 557830800 /nfs/dbraw/zinc/83/08/00/557830800.db2.gz DCSHTGJDOLNDPF-UHFFFAOYSA-N -1 0 400.862 4.353 50 0 HIAARM COc1ccc(NC(=O)c2oc3ccccc3c2[N-]C(=O)c2snnc2C)cc1 ZINC000009250904 557832700 /nfs/dbraw/zinc/83/27/00/557832700.db2.gz LVHWYFRJYPMXNR-UHFFFAOYSA-N -1 0 408.439 4.106 50 0 HIAARM CCc1nc2sc([C@H](c3cccc(OC)c3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000022855072 557842330 /nfs/dbraw/zinc/84/23/30/557842330.db2.gz QNLDJOPWHZHTFD-FQEVSTJZSA-N -1 0 420.538 4.215 50 0 HIAARM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](C)C2)ccc1Cl ZINC000010112555 557855438 /nfs/dbraw/zinc/85/54/38/557855438.db2.gz CEHFZELXJVGJIG-AWEZNQCLSA-N -1 0 406.935 4.321 50 0 HIAARM Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000020733580 558407310 /nfs/dbraw/zinc/40/73/10/558407310.db2.gz RHSOLWLHVCEZFY-INIZCTEOSA-N -1 0 400.887 4.198 50 0 HIAARM O=S(=O)([N-]c1ccc(C2N=NC(=S)N2c2ccccc2)cc1)c1cccs1 ZINC000013056875 558508597 /nfs/dbraw/zinc/50/85/97/558508597.db2.gz SQZYCKLTDDLBER-UHFFFAOYSA-N -1 0 414.537 4.085 50 0 HIAARM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCC3)c(Cl)cc2Cl)c1 ZINC000013135517 558520994 /nfs/dbraw/zinc/52/09/94/558520994.db2.gz YEMNTWIGSDKPBB-UHFFFAOYSA-N -1 0 413.326 4.339 50 0 HIAARM O=C([N-]n1cnc2scc(-c3cccs3)c2c1=O)c1cc(Cl)ccc1F ZINC000014251773 558650357 /nfs/dbraw/zinc/65/03/57/558650357.db2.gz AXROWLUGBXLGBN-UHFFFAOYSA-N -1 0 405.863 4.363 50 0 HIAARM Cc1ccc(S(=O)(=O)Nc2ccccc2SCC(F)(F)F)cc1C(=O)[O-] ZINC000014898584 558678276 /nfs/dbraw/zinc/67/82/76/558678276.db2.gz CVNBJIXNDBGOQC-UHFFFAOYSA-N -1 0 405.419 4.148 50 0 HIAARM CCOc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)ccc1OCc1c(F)cccc1Cl ZINC000004577343 558755994 /nfs/dbraw/zinc/75/59/94/558755994.db2.gz QIENHHMTFBRFLM-CRAIPNDOSA-N -1 0 411.882 4.245 50 0 HIAARM COc1cc(Cl)ccc1NC(=O)c1c([O-])c2ccccc2n(CC(C)C)c1=O ZINC000105729372 558782230 /nfs/dbraw/zinc/78/22/30/558782230.db2.gz ZBASRGXPHKZOJM-UHFFFAOYSA-N -1 0 400.862 4.277 50 0 HIAARM CC[C@H](C)NC(=O)CCCCCn1c(=O)c2[nH]c3ccc(OC)cc3c2[n-]c1=S ZINC000013521574 558835902 /nfs/dbraw/zinc/83/59/02/558835902.db2.gz YKDMPDGDIZYBMS-ZDUSSCGKSA-N -1 0 416.547 4.024 50 0 HIAARM CCC(=O)Nc1ccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C(=O)[O-])c1 ZINC000033078725 558868133 /nfs/dbraw/zinc/86/81/33/558868133.db2.gz NOTGNFFKRXLPDU-UHFFFAOYSA-N -1 0 421.419 4.079 50 0 HIAARM COc1ccccc1-c1nc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2)no1 ZINC000033122917 558879590 /nfs/dbraw/zinc/87/95/90/558879590.db2.gz KTTIENSHMVQYPU-UHFFFAOYSA-N -1 0 413.480 4.275 50 0 HIAARM CCOc1cc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc(OCC)c1OCC ZINC000004680323 558891346 /nfs/dbraw/zinc/89/13/46/558891346.db2.gz SCFXKGMGMWWRTR-UHFFFAOYSA-N -1 0 407.850 4.487 50 0 HIAARM CCN1C(=O)S/C(=C/c2cn(Cc3cccc(C(=O)[O-])c3)c3ccccc23)C1=O ZINC000004687989 558898819 /nfs/dbraw/zinc/89/88/19/558898819.db2.gz JURSWXRFPZGLQT-YBFXNURJSA-N -1 0 406.463 4.444 50 0 HIAARM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3Oc3ccccc3)cc2o1 ZINC000011176552 558920186 /nfs/dbraw/zinc/92/01/86/558920186.db2.gz JWUQPMWUDYAFQX-UHFFFAOYSA-N -1 0 416.842 4.368 50 0 HIAARM CCCN(CCC)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C)cc(C)c1 ZINC000033253934 558922281 /nfs/dbraw/zinc/92/22/81/558922281.db2.gz KJXUZPIXZNCCLE-UHFFFAOYSA-N -1 0 404.532 4.429 50 0 HIAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2nc(SC)sc2c1 ZINC000033298812 559048018 /nfs/dbraw/zinc/04/80/18/559048018.db2.gz LEECFTLKYBWOCK-UHFFFAOYSA-N -1 0 400.934 4.481 50 0 HIAARM CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)s1 ZINC000033306405 559051419 /nfs/dbraw/zinc/05/14/19/559051419.db2.gz FCPJIKMLEJHXFA-VQHVLOKHSA-N -1 0 421.475 4.113 50 0 HIAARM CCCCCCOC(=O)c1ccccc1NC(=O)c1c([O-])c2ccccc2n(C)c1=O ZINC000100543177 559136285 /nfs/dbraw/zinc/13/62/85/559136285.db2.gz QTTSARRRNFSSBW-UHFFFAOYSA-N -1 0 422.481 4.234 50 0 HIAARM O=c1cc(-c2ccccc2)nc2cc(-c3ccc(I)cc3)[n-]n21 ZINC000100536411 559136287 /nfs/dbraw/zinc/13/62/87/559136287.db2.gz ZUAFRMCMPDXSKA-UHFFFAOYSA-N -1 0 413.218 4.374 50 0 HIAARM CCCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(C(=O)OC)cc2)c1=O ZINC000100681908 559255575 /nfs/dbraw/zinc/25/55/75/559255575.db2.gz XJYCEGCDLUBFRV-UHFFFAOYSA-N -1 0 422.481 4.326 50 0 HIAARM Cc1ccc([C@H](O)c2ccccn2)cc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000253630086 559280862 /nfs/dbraw/zinc/28/08/62/559280862.db2.gz AUXQRUIMJDUJJF-IBGZPJMESA-N -1 0 422.428 4.291 50 0 HIAARM O=C(Nc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000005332530 560566552 /nfs/dbraw/zinc/56/65/52/560566552.db2.gz XZRRPLNIDYWVTE-UHFFFAOYSA-N -1 0 408.892 4.241 50 0 HIAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(SC)c1 ZINC000005602622 560629357 /nfs/dbraw/zinc/62/93/57/560629357.db2.gz UVGMDDJRCIRBNW-UHFFFAOYSA-N -1 0 402.335 4.371 50 0 HIAARM COc1ccc(-c2nc3c(nc(-c4ccc(OC)c(OC)c4)cc3C(=O)[O-])[nH]2)cc1 ZINC000011694742 560774257 /nfs/dbraw/zinc/77/42/57/560774257.db2.gz IKSLOMLYBVEHTO-UHFFFAOYSA-N -1 0 405.410 4.016 50 0 HIAARM CCn1c(=O)c(-c2nc(-c3ccc(OC(C)C)cc3)no2)c([O-])c2ccc(F)cc21 ZINC000101724773 560798491 /nfs/dbraw/zinc/79/84/91/560798491.db2.gz IIHBMTDSZPRHMM-UHFFFAOYSA-N -1 0 409.417 4.370 50 0 HIAARM Cc1ccc(NC(=O)c2c([O-])c3cccnc3n(-c3cccc(F)c3)c2=O)cc1C ZINC000101722413 560798810 /nfs/dbraw/zinc/79/88/10/560798810.db2.gz PALOHPWGCQEQMK-UHFFFAOYSA-N -1 0 403.413 4.100 50 0 HIAARM Cc1cccc(NC(=O)c2c([O-])c3cccnc3n(-c3cccc(F)c3)c2=O)c1C ZINC000101722393 560798825 /nfs/dbraw/zinc/79/88/25/560798825.db2.gz YYBGKKOWRLOEDC-UHFFFAOYSA-N -1 0 403.413 4.100 50 0 HIAARM CCc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@@H]2c1ccc(Cl)cc1 ZINC000101835390 560803264 /nfs/dbraw/zinc/80/32/64/560803264.db2.gz XUSIRUPNWCNNPH-LJQANCHMSA-N -1 0 422.872 4.335 50 0 HIAARM O=C(CSc1nc(=O)cc([O-])n1C1CCCC1)Nc1cccc(Cl)c1Cl ZINC000102125056 560807788 /nfs/dbraw/zinc/80/77/88/560807788.db2.gz CYYADNLZIIYRQY-UHFFFAOYSA-N -1 0 414.314 4.102 50 0 HIAARM CCc1ccc(-n2nc3c4cc(C(=O)NCCC(C)C)ccc4[nH]cc-3c2=O)cc1 ZINC000101282362 560851686 /nfs/dbraw/zinc/85/16/86/560851686.db2.gz ZXHDUUUVLMTMLT-UHFFFAOYSA-N -1 0 402.498 4.157 50 0 HIAARM CSc1nc2ccc(NS(=O)(=O)c3ccc(Cl)c(C(=O)[O-])c3)cc2s1 ZINC000019356996 560872794 /nfs/dbraw/zinc/87/27/94/560872794.db2.gz RQMXXZXBUAOHGI-UHFFFAOYSA-N -1 0 414.917 4.171 50 0 HIAARM CCCn1nc(C)cc1CN(C)c1ccc(NC(=O)c2ccccc2F)cc1C(=O)[O-] ZINC000046053637 568425413 /nfs/dbraw/zinc/42/54/13/568425413.db2.gz NRIACKALIYKVOE-UHFFFAOYSA-N -1 0 424.476 4.328 50 0 HIAARM COc1ccc(C(=O)Nc2cc(S(=O)(=O)c3ccccc3)c([O-])c(C)c2C)cc1 ZINC000000719277 568466038 /nfs/dbraw/zinc/46/60/38/568466038.db2.gz WUFZVQRKVBZUAH-UHFFFAOYSA-N -1 0 411.479 4.103 50 0 HIAARM C[C@]12C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]1C1c3ccccc3C2c2ccccc21 ZINC000000828230 568500198 /nfs/dbraw/zinc/50/01/98/568500198.db2.gz GMZGRRUOIYIHFS-WOVMPUMLSA-N -1 0 409.441 4.172 50 0 HIAARM CCc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3cc(OC)cc(OC)c3)C2)cc1 ZINC000225783101 568674409 /nfs/dbraw/zinc/67/44/09/568674409.db2.gz BORUDDPMYWHHGE-JOCHJYFZSA-N -1 0 424.497 4.199 50 0 HIAARM CCc1ccc(-n2nc(C)c3c2NC(=O)CS[C@@H]3c2ccc(C(=O)[O-])cc2)cc1 ZINC000021524993 568709195 /nfs/dbraw/zinc/70/91/95/568709195.db2.gz MHRCORQBAUODHZ-HXUWFJFHSA-N -1 0 407.495 4.216 50 0 HIAARM Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1C(=O)NC1CCCCCCC1 ZINC000096326954 568734872 /nfs/dbraw/zinc/73/48/72/568734872.db2.gz KXELWXGHNWPZOH-UHFFFAOYSA-N -1 0 424.954 4.015 50 0 HIAARM Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2 ZINC000021661061 568735835 /nfs/dbraw/zinc/73/58/35/568735835.db2.gz NJGOAMIEPNIXQC-HNNXBMFYSA-N -1 0 418.478 4.271 50 0 HIAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c1-c1nc(C2CC2)no1 ZINC000096379844 568741616 /nfs/dbraw/zinc/74/16/16/568741616.db2.gz DGQYHTIXLHYCHC-UHFFFAOYSA-N -1 0 406.895 4.322 50 0 HIAARM CCCOc1ccccc1[C@@H]1CC(=O)Nc2nc(SCc3ccccc3)[nH]c(=O)c21 ZINC000086056903 568753765 /nfs/dbraw/zinc/75/37/65/568753765.db2.gz CKZOEFKFRSGLKJ-KRWDZBQOSA-N -1 0 421.522 4.325 50 0 HIAARM CSCC[C@H](NC(=O)c1cc2c3ccccc3[nH]c2c(-c2ccccc2)n1)C(=O)[O-] ZINC000096901954 568765106 /nfs/dbraw/zinc/76/51/06/568765106.db2.gz AARDGDZREYXMCQ-SFHVURJKSA-N -1 0 419.506 4.319 50 0 HIAARM O=C(c1ccccc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl)N1CCCC1 ZINC000012536267 568845823 /nfs/dbraw/zinc/84/58/23/568845823.db2.gz QUPYUGYKAAPCBZ-UHFFFAOYSA-N -1 0 405.328 4.092 50 0 HIAARM COc1cc(NC(=O)COc2ccc(C3CCCCC3)cc2)c(C(=O)[O-])cc1OC ZINC000005915398 568829465 /nfs/dbraw/zinc/82/94/65/568829465.db2.gz PSHKMILPQKEUNA-UHFFFAOYSA-N -1 0 413.470 4.467 50 0 HIAARM CC(C)(C)c1ccc(S(=O)(=O)[N-]NC(=S)Nc2cccc3ccccc32)cc1 ZINC000005944485 568831527 /nfs/dbraw/zinc/83/15/27/568831527.db2.gz PQWKSNRRFSZTRP-UHFFFAOYSA-N -1 0 413.568 4.317 50 0 HIAARM C[C@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1ccccc1 ZINC000012508261 568840102 /nfs/dbraw/zinc/84/01/02/568840102.db2.gz RPRLBLJPDKGUFM-OAHLLOKOSA-N -1 0 400.525 4.082 50 0 HIAARM CCCn1c(=O)c2ccc(C(=O)NCc3ccc(Cl)c(Cl)c3)cc2[n-]c1=S ZINC000003043851 568848464 /nfs/dbraw/zinc/84/84/64/568848464.db2.gz KSFCLGPBTCMNRB-UHFFFAOYSA-N -1 0 422.337 4.332 50 0 HIAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccccc1F)c1cccs1 ZINC000003171063 568859579 /nfs/dbraw/zinc/85/95/79/568859579.db2.gz FRHUAKKBAAVBBP-UHFFFAOYSA-N -1 0 400.460 4.375 50 0 HIAARM Cc1ccc(OC(=O)c2ccc(N3C(=O)c4ccc(C(=O)[O-])cc4C3=O)cc2)cc1C ZINC000003196233 568860998 /nfs/dbraw/zinc/86/09/98/568860998.db2.gz XQYUCLBJLPHHRH-UHFFFAOYSA-N -1 0 415.401 4.021 50 0 HIAARM CCCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(Br)c2)cc1 ZINC000003623657 568864568 /nfs/dbraw/zinc/86/45/68/568864568.db2.gz XKPLIGRHTPRUEK-KRWDZBQOSA-N -1 0 406.276 4.184 50 0 HIAARM O=C([O-])c1ccc(-c2ccc([C@H]3CC(=O)Oc4c5ccccc5oc(=O)c43)o2)cc1 ZINC000217914180 568919621 /nfs/dbraw/zinc/91/96/21/568919621.db2.gz QJGOUNSNYCOLNY-OAHLLOKOSA-N -1 0 402.358 4.192 50 0 HIAARM O=C(Nc1ccccc1)Nc1cccc([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000012728305 568920952 /nfs/dbraw/zinc/92/09/52/568920952.db2.gz BVLAXEROOLOOGQ-UHFFFAOYSA-N -1 0 403.410 4.410 50 0 HIAARM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cccc(F)c2)c1 ZINC000012735384 568924721 /nfs/dbraw/zinc/92/47/21/568924721.db2.gz JDWMEWGRDZQBGR-UHFFFAOYSA-N -1 0 412.442 4.081 50 0 HIAARM O=S(=O)([N-]c1ccccc1)c1cccn1-c1ncc(C(F)(F)F)cc1Cl ZINC000001401707 568927361 /nfs/dbraw/zinc/92/73/61/568927361.db2.gz QZCPCZBRTLYQJZ-UHFFFAOYSA-N -1 0 401.797 4.345 50 0 HIAARM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)OC(C)(C)O4)s2)cs1 ZINC000084275104 568945595 /nfs/dbraw/zinc/94/55/95/568945595.db2.gz XBRCBCKLXAPRJX-UHFFFAOYSA-N -1 0 408.526 4.488 50 0 HIAARM Cc1csc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000012773713 568952957 /nfs/dbraw/zinc/95/29/57/568952957.db2.gz URTNDOPNLVPNJQ-UHFFFAOYSA-N -1 0 407.904 4.158 50 0 HIAARM O=c1[nH]c2ccccc2nc1-c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000004320294 568962915 /nfs/dbraw/zinc/96/29/15/568962915.db2.gz PFTIOKLJPJMHJY-UHFFFAOYSA-N -1 0 411.870 4.044 50 0 HIAARM COC(=O)c1c(=O)c2ccccc2[n-]c1SCC(=O)Nc1ccc(C)cc1Cl ZINC000015731493 568981897 /nfs/dbraw/zinc/98/18/97/568981897.db2.gz DMDZEOLKSNUVQN-UHFFFAOYSA-N -1 0 416.886 4.007 50 0 HIAARM O=C(NCc1ccccc1Cl)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006147080 569014676 /nfs/dbraw/zinc/01/46/76/569014676.db2.gz IKMJLUDPGMJRLG-UHFFFAOYSA-N -1 0 418.877 4.210 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)C4CC4)cc3C)s2)cc1 ZINC000015862019 569015752 /nfs/dbraw/zinc/01/57/52/569015752.db2.gz QIRVKOGOKJTOPN-UHFFFAOYSA-N -1 0 401.513 4.062 50 0 HIAARM Cc1cc(NC(=O)C2CCC2)cc2sc([N-]S(=O)(=O)c3ccccc3)nc21 ZINC000015862124 569015834 /nfs/dbraw/zinc/01/58/34/569015834.db2.gz PFLNZCRPWBRUEX-UHFFFAOYSA-N -1 0 401.513 4.144 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CC4)n3)cs2)cc1Cl ZINC000035557058 569044683 /nfs/dbraw/zinc/04/46/83/569044683.db2.gz JNZHDNOXCKRSKL-UHFFFAOYSA-N -1 0 411.892 4.138 50 0 HIAARM COC(=O)C[C@@H](c1cccnc1)c1c(O)ccc(C(=O)c2ccc(Cl)cc2)c1[O-] ZINC000524730268 569051643 /nfs/dbraw/zinc/05/16/43/569051643.db2.gz BWCLLWVXGFJMIO-KRWDZBQOSA-N -1 0 411.841 4.072 50 0 HIAARM O=c1cc(CN2CCN(c3cccc(Cl)c3)CC2)c2cc(Cl)c([O-])cc2o1 ZINC000054105907 569057524 /nfs/dbraw/zinc/05/75/24/569057524.db2.gz GTUOWMVGGKXAHN-UHFFFAOYSA-N -1 0 405.281 4.128 50 0 HIAARM Cc1c2ccc(OCc3ccccc3Br)cc2oc(=O)c1CC(=O)[O-] ZINC000002149604 569060501 /nfs/dbraw/zinc/06/05/01/569060501.db2.gz BTPKSQIUPVJHRR-UHFFFAOYSA-N -1 0 403.228 4.070 50 0 biogenic HIAARM CC(=O)Oc1ccc([C@@H]2Nc3c(C(=O)[O-])cccc3[C@@H]3C=CC[C@@H]32)c(OC(C)=O)c1 ZINC000252632400 569060869 /nfs/dbraw/zinc/06/08/69/569060869.db2.gz VSQAFEYWXIWCNY-VWKPWSFCSA-N -1 0 407.422 4.062 50 0 HIAARM CCNc1nc(C)cc(Nc2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2)n1 ZINC000064814505 569100511 /nfs/dbraw/zinc/10/05/11/569100511.db2.gz VLPLLMVNZBHNMO-UHFFFAOYSA-N -1 0 419.457 4.039 50 0 HIAARM CCn1nc(C)c(CCN(C)c2ccc(C(=O)[O-])cc2NC(=O)c2ccccc2)c1C ZINC000064820629 569102692 /nfs/dbraw/zinc/10/26/92/569102692.db2.gz KGHTUHPXUKEPPA-UHFFFAOYSA-N -1 0 420.513 4.149 50 0 HIAARM COc1cc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(C)cc3)n2)cc(OC)c1O ZINC000006733051 569103742 /nfs/dbraw/zinc/10/37/42/569103742.db2.gz CKZDHVUJNKIACX-UHFFFAOYSA-N -1 0 405.410 4.021 50 0 HIAARM CCc1nc(-c2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c(C)s2)no1 ZINC000064844613 569107836 /nfs/dbraw/zinc/10/78/36/569107836.db2.gz OINSGKYNKKLGAK-UHFFFAOYSA-N -1 0 417.434 4.489 50 0 HIAARM COc1ccc(OC)c([N-]S(=O)(=O)c2c(C)sc(C)c2-c2onc(C)c2C)c1 ZINC000064845798 569108257 /nfs/dbraw/zinc/10/82/57/569108257.db2.gz JFJUEOBJGFUCEB-UHFFFAOYSA-N -1 0 422.528 4.455 50 0 HIAARM COc1cc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(C)cc3)n2)cc(OC)c1OC ZINC000006748987 569108827 /nfs/dbraw/zinc/10/88/27/569108827.db2.gz BQJHMPIJQRSWII-UHFFFAOYSA-N -1 0 419.437 4.324 50 0 HIAARM COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1cccc(-c2ccno2)c1 ZINC000006887694 569171253 /nfs/dbraw/zinc/17/12/53/569171253.db2.gz IIXOXEVDCKJQEW-UHFFFAOYSA-N -1 0 411.439 4.114 50 0 HIAARM CCc1cc2c(=O)c(-c3nncn3-c3ccccc3)c(C(F)(F)F)oc2cc1[O-] ZINC000006910818 569180745 /nfs/dbraw/zinc/18/07/45/569180745.db2.gz RRYRPSXYCOMQCK-UHFFFAOYSA-N -1 0 401.344 4.328 50 0 HIAARM Cc1ccc(-n2ncc3c2[nH]c(=O)c(-c2nc(-c4ccc(Cl)cc4)no2)c3[O-])cc1 ZINC000065256960 569208515 /nfs/dbraw/zinc/20/85/15/569208515.db2.gz HEXAKEJQSUROKZ-UHFFFAOYSA-N -1 0 419.828 4.098 50 0 HIAARM COc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1COc1cccc(C(F)(F)F)c1 ZINC000036623955 569212661 /nfs/dbraw/zinc/21/26/61/569212661.db2.gz MRXWHGREHHBFCQ-DOTOQJQBSA-N -1 0 413.417 4.081 50 0 HIAARM C/C(=C/C(=O)Nc1ccc(S[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1)C(=O)[O-] ZINC000037019013 569235196 /nfs/dbraw/zinc/23/51/96/569235196.db2.gz AUVZEHZUSMARDI-KXXVWKPMSA-N -1 0 418.902 4.429 50 0 HIAARM COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc(Cl)cc3)ncn2)c(C)c1F ZINC000170609112 569244874 /nfs/dbraw/zinc/24/48/74/569244874.db2.gz ARPCGXTVANCJAA-UHFFFAOYSA-N -1 0 407.854 4.054 50 0 HIAARM CCOc1cc(/C=C2\CN(CC)Cc3c2nc2ccccc2c3C(=O)[O-])ccc1O ZINC000013339730 569255243 /nfs/dbraw/zinc/25/52/43/569255243.db2.gz SKECOGFWJPIZPG-LFIBNONCSA-N -1 0 404.466 4.413 50 0 HIAARM CCOc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000014005727 569258399 /nfs/dbraw/zinc/25/83/99/569258399.db2.gz VUVVLODZZWKPKV-UHFFFAOYSA-N -1 0 404.422 4.288 50 0 HIAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1NC(C)=O ZINC000089962794 569270092 /nfs/dbraw/zinc/27/00/92/569270092.db2.gz YJVOHLOENGNRAB-UHFFFAOYSA-N -1 0 412.467 4.247 50 0 HIAARM COc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000017208919 569276561 /nfs/dbraw/zinc/27/65/61/569276561.db2.gz FTPGFDKUGUKJBU-UHFFFAOYSA-N -1 0 420.494 4.491 50 0 HIAARM Cc1ccc(-c2cc(C(=O)N(CCC(=O)[O-])Cc3cccc(F)c3F)on2)cc1 ZINC000237701214 569281956 /nfs/dbraw/zinc/28/19/56/569281956.db2.gz JGQXDMSGZQWKMN-UHFFFAOYSA-N -1 0 400.381 4.045 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)CC2CCCCC2)c1 ZINC000007777052 569308618 /nfs/dbraw/zinc/30/86/18/569308618.db2.gz YJUZUKWNJJSURV-UHFFFAOYSA-N -1 0 402.516 4.405 50 0 HIAARM CCc1cccc([C@@H](C)CC)c1NC(=O)C(=O)c1c(C)[n-]n(-c2ccccc2)c1=O ZINC000198727070 569359631 /nfs/dbraw/zinc/35/96/31/569359631.db2.gz GCIGFHFLHNHJEA-MGPUTAFESA-N -1 0 405.498 4.309 50 0 HIAARM CC[C@@H](c1nnc(S[C@@H](C(=O)[O-])c2ccccc2)n1Cc1ccccc1)N(C)C ZINC000008748065 571111520 /nfs/dbraw/zinc/11/15/20/571111520.db2.gz JCWMCGPBKCOIPT-RBUKOAKNSA-N -1 0 410.543 4.257 50 0 HIAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2[nH]c(-c3ccccc3Cl)nc2c1 ZINC000040156324 571203371 /nfs/dbraw/zinc/20/33/71/571203371.db2.gz MVJCGUXADCZTFJ-UHFFFAOYSA-N -1 0 402.863 4.289 50 0 HIAARM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1cc(Cl)ccc1OC ZINC000009646363 571276366 /nfs/dbraw/zinc/27/63/66/571276366.db2.gz GNEHKDSIURVITJ-UHFFFAOYSA-N -1 0 411.888 4.151 50 0 HIAARM CCCCc1ccc(NC(=O)CSC2=Nc3ccc(F)cc3S(=O)(=O)[N-]2)cc1 ZINC000009761965 571284468 /nfs/dbraw/zinc/28/44/68/571284468.db2.gz ZVNUMSLDTOIWTA-UHFFFAOYSA-N -1 0 421.519 4.010 50 0 HIAARM O=C([O-])c1cc(N2CCN(c3ccc(Cl)cc3)CC2)ccc1NC(=O)C1CCC1 ZINC000035482701 571316805 /nfs/dbraw/zinc/31/68/05/571316805.db2.gz AAPORGMYVQUTFM-UHFFFAOYSA-N -1 0 413.905 4.103 50 0 HIAARM O=C(C[C@H]([N-]C(=O)C(F)(F)F)c1ccccc1)Nc1ccc(Br)cc1 ZINC000002462080 845006561 /nfs/dbraw/zinc/00/65/61/845006561.db2.gz MOIBCHQOTNEFFC-AWEZNQCLSA-N -1 0 415.209 4.198 50 0 HIAARM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc4cccnc4s3)c2)c(F)c1 ZINC000009278496 845565981 /nfs/dbraw/zinc/56/59/81/845565981.db2.gz IOCTYCZMOCKQDS-UHFFFAOYSA-N -1 0 415.471 4.307 50 0 HIAARM O=C([O-])c1ccc(/C=C(\Cl)c2nnc(C(=O)NCc3ccc(F)cc3)s2)cc1 ZINC000013011849 845903714 /nfs/dbraw/zinc/90/37/14/845903714.db2.gz HCAFCUBKXHILDO-DHDCSXOGSA-N -1 0 417.849 4.042 50 0 HIAARM O=[N+]([O-])c1cc(Cl)cc(C=NNC(=S)Nc2ccccc2C(F)(F)F)c1[O-] ZINC000254855773 854216213 /nfs/dbraw/zinc/21/62/13/854216213.db2.gz ZBUSFOHSRRJEFT-UHFFFAOYSA-N -1 0 418.784 4.293 50 0 HIAARM CN1C[C@]2(Cc3c4ccccc4ccc31)C(=O)[N-]C(=O)N(c1ccc(F)cc1)C2=O ZINC000009088300 132335724 /nfs/dbraw/zinc/33/57/24/132335724.db2.gz AEYGPZFPLXLCPC-HSZRJFAPSA-N -1 0 403.413 4.081 50 0 HIAARM O=S(=O)([N-]c1cccc(-c2ccc(N3CCCCC3)nn2)c1)c1ccccc1F ZINC000009529557 132340748 /nfs/dbraw/zinc/34/07/48/132340748.db2.gz LETJMFWGZLDJRT-UHFFFAOYSA-N -1 0 412.490 4.074 50 0 HIAARM CC(C)(C)O[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1C(=O)[O-] ZINC000044563901 518887704 /nfs/dbraw/zinc/88/77/04/518887704.db2.gz DTOQXZRPBAMOGM-SFTDATJTSA-N -1 0 409.482 4.278 50 0 HIAARM CCCN(CCC)c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1C(=O)[O-] ZINC000032962093 521651148 /nfs/dbraw/zinc/65/11/48/521651148.db2.gz LFKRITICWLQORL-UHFFFAOYSA-N -1 0 418.515 4.015 50 0 HIAARM COc1cc(C)c(Br)cc1S(=O)(=O)[N-]c1cnc2ccccc2c1 ZINC000072414255 522182860 /nfs/dbraw/zinc/18/28/60/522182860.db2.gz LBWWWBTWBWGOLE-UHFFFAOYSA-N -1 0 407.289 4.115 50 0 HIAARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@H](c2ccc(OC)cc2OC)CC(=O)N3)cc1 ZINC000040308913 523325950 /nfs/dbraw/zinc/32/59/50/523325950.db2.gz BSQGYTODXXZNJD-KRWDZBQOSA-N -1 0 422.437 4.325 50 0 HIAARM C[C@H](NC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1cccc(F)c1 ZINC000032779880 524987498 /nfs/dbraw/zinc/98/74/98/524987498.db2.gz LXEKNMCHOLZJAA-AWEZNQCLSA-N -1 0 418.515 4.108 50 0 HIAARM COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(F)c4)c32)c(OC)c1 ZINC000044892662 525238522 /nfs/dbraw/zinc/23/85/22/525238522.db2.gz JBWMVJZWCWQKOK-INIZCTEOSA-N -1 0 410.401 4.455 50 0 HIAARM Cc1[nH]c2ccccc2c1[C@H](C(=O)[O-])N1CCN(c2nsc3ccccc32)CC1 ZINC000032101817 525447691 /nfs/dbraw/zinc/44/76/91/525447691.db2.gz CUFGAERXPRSDSS-HXUWFJFHSA-N -1 0 406.511 4.034 50 0 HIAARM O=C([O-])c1ccccc1NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc(Cl)cc1F ZINC000040288188 526396495 /nfs/dbraw/zinc/39/64/95/526396495.db2.gz GOFZMFLIECIFBA-GOSISDBHSA-N -1 0 414.824 4.080 50 0 HIAARM O=C([O-])[C@H](Cc1ccc(F)c(F)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000000622069 557019458 /nfs/dbraw/zinc/01/94/58/557019458.db2.gz IHSYIDJNVXPQRM-QFIPXVFZSA-N -1 0 423.415 4.499 50 0 HIAARM CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@H]12 ZINC000000716236 557067931 /nfs/dbraw/zinc/06/79/31/557067931.db2.gz BRUIHGLXIKKXJN-PRSBGKBPSA-N -1 0 423.468 4.130 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(O)cc2)cc1 ZINC000000754642 557076238 /nfs/dbraw/zinc/07/62/38/557076238.db2.gz HAZUHRDUFRVPJU-UHFFFAOYSA-N -1 0 406.467 4.188 50 0 HIAARM Cc1csc(NC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)c1C(=O)c1ccccc1 ZINC000001027541 557145647 /nfs/dbraw/zinc/14/56/47/557145647.db2.gz BDMTVLWBDMDNRX-UHFFFAOYSA-N -1 0 414.508 4.106 50 0 HIAARM COc1ccccc1NC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCCCC2 ZINC000002294291 557335103 /nfs/dbraw/zinc/33/51/03/557335103.db2.gz DFGDSWGIYUFWQJ-UHFFFAOYSA-N -1 0 416.499 4.081 50 0 HIAARM Cc1c2c(cc(=O)n1Cc1ccccc1Cl)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000002400270 557344734 /nfs/dbraw/zinc/34/47/34/557344734.db2.gz QEYDEAQRNICPEP-UHFFFAOYSA-N -1 0 422.897 4.464 50 0 HIAARM COC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=S)[N-]c1ccccc1SC ZINC000002852771 557405505 /nfs/dbraw/zinc/40/55/05/557405505.db2.gz GCJJIHMBPYIWKE-UHFFFAOYSA-N -1 0 423.585 4.076 50 0 HIAARM COC(=O)c1sc(NC(=S)[N-]c2ccccc2SC)c(C(=O)OC)c1C ZINC000002858418 557408456 /nfs/dbraw/zinc/40/84/56/557408456.db2.gz OOHPELQKEVJHHV-UHFFFAOYSA-N -1 0 410.542 4.161 50 0 HIAARM O=C([O-])c1ccc(CNS(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)cc1 ZINC000002889453 557423217 /nfs/dbraw/zinc/42/32/17/557423217.db2.gz NSXMPQYOUHHCQB-UHFFFAOYSA-N -1 0 417.870 4.309 50 0 HIAARM O=C([O-])[C@H](Cc1ccccc1F)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000004208791 557528830 /nfs/dbraw/zinc/52/88/30/557528830.db2.gz ARHOAMSIDCQWEW-QFIPXVFZSA-N -1 0 405.425 4.360 50 0 HIAARM Cc1ccc(S(=O)(=O)Nc2cnc(N(CC(C)C)CC(C)C)c(C(=O)[O-])c2)cc1 ZINC000035397513 557544580 /nfs/dbraw/zinc/54/45/80/557544580.db2.gz FYONNBACNCBIID-UHFFFAOYSA-N -1 0 419.547 4.007 50 0 HIAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000004904632 557611743 /nfs/dbraw/zinc/61/17/43/557611743.db2.gz QNCMVEACMWAXDJ-OLZOCXBDSA-N -1 0 407.289 4.178 50 0 HIAARM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Br)c3ccccc32)cc1 ZINC000005234549 557640870 /nfs/dbraw/zinc/64/08/70/557640870.db2.gz RCJTYOSXJREXPQ-UHFFFAOYSA-N -1 0 406.257 4.101 50 0 HIAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(-c3cn4cccc(C)c4n3)c2)c1 ZINC000006142848 557690431 /nfs/dbraw/zinc/69/04/31/557690431.db2.gz GBIVMHRXKNMAIN-UHFFFAOYSA-N -1 0 423.494 4.128 50 0 HIAARM COc1ccc(S(=O)(=O)[N-]c2c(C)nn(Cc3c(F)cccc3Cl)c2C)cc1 ZINC000002764010 557756364 /nfs/dbraw/zinc/75/63/64/557756364.db2.gz WSEOMLZMACTAOC-UHFFFAOYSA-N -1 0 423.897 4.150 50 0 HIAARM Cc1nn(Cc2cccc3ccccc32)c(C)c1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000002764806 557756585 /nfs/dbraw/zinc/75/65/85/557756585.db2.gz GFPUPPMPKXZCLD-RTWAWAEBSA-N -1 0 403.482 4.307 50 0 HIAARM Cc1cc([N-]S(=O)(=O)c2ccc(Br)s2)ccc1Br ZINC000008442271 557789565 /nfs/dbraw/zinc/78/95/65/557789565.db2.gz JJEHFHQZEYRZLD-UHFFFAOYSA-N -1 0 411.140 4.382 50 0 HIAARM Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000008723362 557802582 /nfs/dbraw/zinc/80/25/82/557802582.db2.gz MIPCSLHFVVTMEA-UHFFFAOYSA-N -1 0 424.478 4.055 50 0 HIAARM Cc1cccc(-n2c3nc(-c4ccc(Cl)cc4)cc(C(=O)[O-])c3c(=O)[nH]c2=S)c1 ZINC000020605718 558387677 /nfs/dbraw/zinc/38/76/77/558387677.db2.gz OAGGGDRTYVPGGJ-UHFFFAOYSA-N -1 0 423.881 4.396 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc(O)c2)cc1C ZINC000012555710 558426985 /nfs/dbraw/zinc/42/69/85/558426985.db2.gz RZCNOBJVWUIDQB-UHFFFAOYSA-N -1 0 420.494 4.497 50 0 HIAARM CCOc1ccc(-c2[nH]nc3nc(-c4ccc(OC)c(OC)c4)cc(C(=O)[O-])c32)cc1 ZINC000013363512 558530605 /nfs/dbraw/zinc/53/06/05/558530605.db2.gz XBNBDBMNJDDIOR-UHFFFAOYSA-N -1 0 419.437 4.406 50 0 HIAARM CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)[O-] ZINC000034580002 558782246 /nfs/dbraw/zinc/78/22/46/558782246.db2.gz HPOOZLUZMYIOFF-FQEVSTJZSA-N -1 0 410.470 4.267 50 0 HIAARM CCn1nc([N-]S(=O)(=O)c2ccc(Cl)cc2)c2cc3ccc(C)cc3nc21 ZINC000017015947 558811854 /nfs/dbraw/zinc/81/18/54/558811854.db2.gz WLBUAJNKLLNVDX-UHFFFAOYSA-N -1 0 400.891 4.367 50 0 HIAARM CCc1c(C)sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1C(=O)NC1CCCC1 ZINC000017087435 558816334 /nfs/dbraw/zinc/81/63/34/558816334.db2.gz WDWNMLBIUGAYOR-HZPDHXFCSA-N -1 0 406.548 4.121 50 0 HIAARM CCOc1ccccc1NC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCCC2 ZINC000017090651 558819329 /nfs/dbraw/zinc/81/93/29/558819329.db2.gz ZBDZRZQGMZUSSZ-UHFFFAOYSA-N -1 0 416.499 4.081 50 0 HIAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CCC2 ZINC000017091527 558820089 /nfs/dbraw/zinc/82/00/89/558820089.db2.gz LMMIJIBZCJXJOF-GJZGRUSLSA-N -1 0 418.559 4.129 50 0 HIAARM CCc1ccc(S(=O)(=O)Nc2ccc(N3CCCCCC3)cc2C(=O)[O-])cc1 ZINC000033007334 558828059 /nfs/dbraw/zinc/82/80/59/558828059.db2.gz UDDFNSYRZVUZNX-UHFFFAOYSA-N -1 0 402.516 4.128 50 0 HIAARM CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(Cl)cc2Cl)cc1OC ZINC000004594615 558832472 /nfs/dbraw/zinc/83/24/72/558832472.db2.gz AZTUWDVOZCBTGW-OAHLLOKOSA-N -1 0 412.269 4.347 50 0 HIAARM CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000004616285 558860166 /nfs/dbraw/zinc/86/01/66/558860166.db2.gz JDKUKRXYKYOLJJ-UHFFFAOYSA-N -1 0 406.891 4.344 50 0 HIAARM CCCCC(=O)Nc1ccc(N2CCN(c3ccc(C(C)=O)cc3)CC2)c(C(=O)[O-])c1 ZINC000033078497 558867938 /nfs/dbraw/zinc/86/79/38/558867938.db2.gz KKPLOEXBQRAUII-UHFFFAOYSA-N -1 0 423.513 4.043 50 0 HIAARM Cc1ccccc1N1CCN(c2ccccc2NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000004661714 558874682 /nfs/dbraw/zinc/87/46/82/558874682.db2.gz XESHUQUOBXVRSV-PMACEKPBSA-N -1 0 421.541 4.151 50 0 HIAARM O=C([O-])c1cc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)ccc1Cl ZINC000004680464 558891382 /nfs/dbraw/zinc/89/13/82/558891382.db2.gz NPCYLLPWKWINPD-UHFFFAOYSA-N -1 0 403.674 4.472 50 0 HIAARM CCCCN(CC)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000033253571 558921786 /nfs/dbraw/zinc/92/17/86/558921786.db2.gz AECVDEPGLXZQQY-UHFFFAOYSA-N -1 0 412.458 4.090 50 0 HIAARM Cc1nc2sc([C@H](c3ccc(Br)cc3)N3CCC(C)CC3)c([O-])n2n1 ZINC000023157005 559022051 /nfs/dbraw/zinc/02/20/51/559022051.db2.gz RNXPGXLHEXHRNB-HNNXBMFYSA-N -1 0 421.364 4.389 50 0 HIAARM O=C(/C=C\c1cccc(Cl)c1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000033291035 559045610 /nfs/dbraw/zinc/04/56/10/559045610.db2.gz YGIGLYOXFNCFSO-WTKPLQERSA-N -1 0 419.915 4.249 50 0 HIAARM CCOC(=O)c1ccccc1NC(=O)c1c([O-])c2ccccc2n(CCC(C)C)c1=O ZINC000100543174 559136297 /nfs/dbraw/zinc/13/62/97/559136297.db2.gz XADBLGQAKQSIIW-UHFFFAOYSA-N -1 0 422.481 4.182 50 0 HIAARM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1-n1cncn1 ZINC000005403199 560583982 /nfs/dbraw/zinc/58/39/82/560583982.db2.gz YZPDPRVBAMDHMQ-UHFFFAOYSA-N -1 0 404.923 4.327 50 0 HIAARM COc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000017251949 560705093 /nfs/dbraw/zinc/70/50/93/560705093.db2.gz IMURWZQNWGLWES-UHFFFAOYSA-N -1 0 420.494 4.491 50 0 HIAARM Cn1cc(S(=O)(=O)[N-]c2ccccc2-c2csc(-c3ccccc3F)n2)cn1 ZINC000206909956 560749246 /nfs/dbraw/zinc/74/92/46/560749246.db2.gz JDCYICOQRBSHCX-UHFFFAOYSA-N -1 0 414.487 4.151 50 0 HIAARM O=C([O-])c1ccccc1NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000012854714 560787116 /nfs/dbraw/zinc/78/71/16/560787116.db2.gz QGUYVVWTRDUDNA-UHFFFAOYSA-N -1 0 406.463 4.091 50 0 HIAARM Cc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccc(Cl)cc2)cc1C ZINC000101298434 560791166 /nfs/dbraw/zinc/79/11/66/560791166.db2.gz UJYCZMAITRHQQU-LJQANCHMSA-N -1 0 422.872 4.389 50 0 HIAARM O=C(Nc1cccc(Cl)c1)c1c([O-])c2cccnc2n(Cc2ccccc2)c1=O ZINC000101722813 560799009 /nfs/dbraw/zinc/79/90/09/560799009.db2.gz FIRJJPPCMXEYMT-UHFFFAOYSA-N -1 0 405.841 4.056 50 0 HIAARM Cc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccc(F)cc2F)cc1C ZINC000101835594 560803367 /nfs/dbraw/zinc/80/33/67/560803367.db2.gz SJDKVAQDKIZBLL-LJQANCHMSA-N -1 0 424.407 4.014 50 0 HIAARM Cc1ccc([C@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4cc(C)cc(C)c4)cnn32)cc1 ZINC000102820955 560829666 /nfs/dbraw/zinc/82/96/66/560829666.db2.gz RYTQNVJPKIANFD-HXUWFJFHSA-N -1 0 402.454 4.044 50 0 HIAARM Cc1cc(C)c(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccncc4)[C@H]3C2=O)c(C)c1 ZINC000103561044 560843174 /nfs/dbraw/zinc/84/31/74/560843174.db2.gz JCBOXEYMRLXMJU-AKIFATBCSA-N -1 0 413.477 4.058 50 0 HIAARM CCn1nc(C)c(CCN(C)c2ccc(NC(=O)c3ccccc3)cc2C(=O)[O-])c1C ZINC000046053616 568425393 /nfs/dbraw/zinc/42/53/93/568425393.db2.gz LUWQCYRYFSSEBM-UHFFFAOYSA-N -1 0 420.513 4.149 50 0 HIAARM CCCCSc1nnc([N-]C(=O)c2cc(-c3ccc(OC)c(OC)c3)on2)s1 ZINC000046086983 568428218 /nfs/dbraw/zinc/42/82/18/568428218.db2.gz XMQZMQSWGVRFOE-UHFFFAOYSA-N -1 0 420.516 4.355 50 0 HIAARM COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(Cl)cc4)c32)cc1O ZINC000049545705 568451379 /nfs/dbraw/zinc/45/13/79/568451379.db2.gz JLVWWBVMMRINHF-AWEZNQCLSA-N -1 0 412.829 4.017 50 0 HIAARM O=C(c1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[n-]c1=O)N1CCCCC1 ZINC000215793213 568461888 /nfs/dbraw/zinc/46/18/88/568461888.db2.gz FVQIBLBJLRODOZ-UHFFFAOYSA-N -1 0 419.325 4.101 50 0 HIAARM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)Nc1ccc(F)cc1F ZINC000225662184 568661400 /nfs/dbraw/zinc/66/14/00/568661400.db2.gz IBOXIHDPAJIWKW-KRWDZBQOSA-N -1 0 414.456 4.209 50 0 HIAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(C)cc3)cc2)c1C ZINC000000852089 568712622 /nfs/dbraw/zinc/71/26/22/568712622.db2.gz YGPDTMWANKKGSY-MDWZMJQESA-N -1 0 411.483 4.053 50 0 HIAARM Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C(=O)[O-])cc3)ccc2C)cc1 ZINC000000888020 568740354 /nfs/dbraw/zinc/74/03/54/568740354.db2.gz XDZQZNVBDPDMBZ-UHFFFAOYSA-N -1 0 424.478 4.055 50 0 HIAARM CSc1cccc([N-]S(=O)(=O)c2c(C)[nH]c(-c3nnc(C4CC4)o3)c2C)c1 ZINC000096379481 568741035 /nfs/dbraw/zinc/74/10/35/568741035.db2.gz YIXRCWJQVMTQEQ-UHFFFAOYSA-N -1 0 404.517 4.082 50 0 HIAARM O=C([O-])c1ccc(CNCc2nn(Cc3ccccc3F)nc2-c2ccccc2)cc1 ZINC000247388536 568744914 /nfs/dbraw/zinc/74/49/14/568744914.db2.gz KULKBZBIWKIRCM-UHFFFAOYSA-N -1 0 416.456 4.121 50 0 HIAARM CCOc1cccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4C)[nH]c(=O)c32)c1 ZINC000086057076 568753798 /nfs/dbraw/zinc/75/37/98/568753798.db2.gz KCEPSWZSTSPESV-GOSISDBHSA-N -1 0 421.522 4.243 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C2=N[C@@H](Cc3ccccc3)CO2)cc1 ZINC000096581711 568762684 /nfs/dbraw/zinc/76/26/84/568762684.db2.gz GYFYLQAHTKFQCD-IBGZPJMESA-N -1 0 406.507 4.184 50 0 HIAARM O=S(=O)([N-]c1nc2ccccc2nc1N1CCCCC1)c1ccc(Cl)cc1 ZINC000001078712 568767253 /nfs/dbraw/zinc/76/72/53/568767253.db2.gz GZUNVFVTXKQEPB-UHFFFAOYSA-N -1 0 402.907 4.074 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccsc2)ccc1Cl ZINC000022593375 568771243 /nfs/dbraw/zinc/77/12/43/568771243.db2.gz WFGMRJKTIPNGFE-UHFFFAOYSA-N -1 0 422.915 4.463 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]C(=S)NCc2cccc(Oc3ccccc3)c2)cc1 ZINC000001147898 568773933 /nfs/dbraw/zinc/77/39/33/568773933.db2.gz QQGTZFXSSXOCOL-UHFFFAOYSA-N -1 0 412.536 4.140 50 0 HIAARM CCc1ccc(OCn2cc([N-]S(=O)(=O)c3ccc4ccccc4c3)cn2)cc1 ZINC000002804454 568811643 /nfs/dbraw/zinc/81/16/43/568811643.db2.gz TVVGXPLYYLULEI-UHFFFAOYSA-N -1 0 407.495 4.436 50 0 HIAARM O=C(CCCCn1c(=O)c2sccc2[n-]c1=S)NCc1ccccc1Cl ZINC000002925479 568817461 /nfs/dbraw/zinc/81/74/61/568817461.db2.gz RYUCVTDSGAFNKR-UHFFFAOYSA-N -1 0 407.948 4.261 50 0 HIAARM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000003135714 568857732 /nfs/dbraw/zinc/85/77/32/568857732.db2.gz KFLCZDSXISGZQI-NEPJUHHUSA-N -1 0 400.740 4.205 50 0 HIAARM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1-n1cccn1)c1ccc(Cl)cc1F ZINC000012560806 568858171 /nfs/dbraw/zinc/85/81/71/568858171.db2.gz IGWLWHQQWINJAI-UHFFFAOYSA-N -1 0 419.787 4.484 50 0 HIAARM COc1cc([C@H]2CC(=O)Oc3ccc(C(=O)c4ccc(Cl)cc4)c([O-])c32)ccc1O ZINC000263586511 568878839 /nfs/dbraw/zinc/87/88/39/568878839.db2.gz VDCSDYODFNAVQD-MRXNPFEDSA-N -1 0 424.836 4.432 50 0 HIAARM Cc1cnc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000012773718 568953049 /nfs/dbraw/zinc/95/30/49/568953049.db2.gz PHNWKUVVIVOQCB-UHFFFAOYSA-N -1 0 407.904 4.158 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)/C=C/c2cccs2)c1 ZINC000008289525 568987836 /nfs/dbraw/zinc/98/78/36/568987836.db2.gz AFKYYWFKHIBNIQ-VAWYXSNFSA-N -1 0 414.508 4.209 50 0 HIAARM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)cc1F ZINC000085664759 569006680 /nfs/dbraw/zinc/00/66/80/569006680.db2.gz UTNRQHOAHVAYDX-UHFFFAOYSA-N -1 0 405.398 4.405 50 0 HIAARM COc1ccc(N[C@@H]([N-]C(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)cc1 ZINC000003137456 569012502 /nfs/dbraw/zinc/01/25/02/569012502.db2.gz DDIRNQDNJGJOCQ-QMMMGPOBSA-N -1 0 414.931 4.290 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)CC(C)C)cc3s2)cc1 ZINC000015861930 569015688 /nfs/dbraw/zinc/01/56/88/569015688.db2.gz XUGRIFHFLMILNJ-UHFFFAOYSA-N -1 0 403.529 4.390 50 0 HIAARM COC(=O)c1c(-c2ccc(Cl)c(Cl)c2)csc1NC(=O)CCC(=O)[O-] ZINC000006179755 569019886 /nfs/dbraw/zinc/01/98/86/569019886.db2.gz UDPVQMQHSLSAEQ-UHFFFAOYSA-N -1 0 402.255 4.312 50 0 HIAARM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]c1cc(Cl)ccc1Oc1ccc(C)cc1 ZINC000012906432 569021319 /nfs/dbraw/zinc/02/13/19/569021319.db2.gz BTMRAPMCFDRTQN-UHFFFAOYSA-N -1 0 410.904 4.300 50 0 HIAARM CC(=NOCC(=O)N(Cc1ccccc1)c1ccccc1C(=O)[O-])c1cccs1 ZINC000004155044 569030388 /nfs/dbraw/zinc/03/03/88/569030388.db2.gz OWCXDWJGPLJSSE-UHFFFAOYSA-N -1 0 408.479 4.420 50 0 HIAARM Nc1nccn2c([C@H]3CC[C@@H](C(=O)[O-])CC3)nc(-c3cc4cccc(Cl)c4[nH]3)c12 ZINC000168805724 569037031 /nfs/dbraw/zinc/03/70/31/569037031.db2.gz UXCAKZGNKOZXBM-HAQNSBGRSA-N -1 0 409.877 4.472 50 0 in-vitro HIAARM COc1ccccc1-c1coc2c(c([O-])cc3c2[C@@H](c2cccnc2)CC(=O)O3)c1=O ZINC000524729552 569051655 /nfs/dbraw/zinc/05/16/55/569051655.db2.gz YFWDUJQHZZFDPS-OAHLLOKOSA-N -1 0 415.401 4.010 50 0 HIAARM C[C@]1(O)CC(=O)C(=C([O-])c2ccccc2)[C@@H](c2ccccc2)[C@H]1C(=O)c1ccccc1 ZINC000239173649 569054007 /nfs/dbraw/zinc/05/40/07/569054007.db2.gz OJSKBPPTQMCPPQ-HKQJZWTQSA-N -1 0 412.485 4.492 50 0 HIAARM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC[C@H](C)C2)cc1C ZINC000064580632 569068561 /nfs/dbraw/zinc/06/85/61/569068561.db2.gz KBGGDOWONHKVAQ-AWEZNQCLSA-N -1 0 402.516 4.039 50 0 HIAARM CCCC(=O)Nc1ccc(N2CCN(c3ccccc3Cl)CC2)cc1C(=O)[O-] ZINC000064589358 569068989 /nfs/dbraw/zinc/06/89/89/569068989.db2.gz AQTTYSBSQWDGAM-UHFFFAOYSA-N -1 0 401.894 4.103 50 0 HIAARM CC(C)CC(=O)Nc1ccc(N2CCN(c3ccc(Cl)cc3)CC2)cc1C(=O)[O-] ZINC000064589777 569069050 /nfs/dbraw/zinc/06/90/50/569069050.db2.gz UGLXAHCJHBUPMN-UHFFFAOYSA-N -1 0 415.921 4.349 50 0 HIAARM CC(C)(C)C(=O)Nc1ccc(N2CCN(c3ccccc3Cl)CC2)cc1C(=O)[O-] ZINC000064589969 569069132 /nfs/dbraw/zinc/06/91/32/569069132.db2.gz YJLDQNGEQIBEHN-UHFFFAOYSA-N -1 0 415.921 4.349 50 0 HIAARM COc1cc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)cc(OC)c1 ZINC000065004278 569152258 /nfs/dbraw/zinc/15/22/58/569152258.db2.gz MGCGFJMSONYUSN-UHFFFAOYSA-N -1 0 420.512 4.489 50 0 HIAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccccc3)c2oc1C(=O)N1CCCC1 ZINC000065010557 569153529 /nfs/dbraw/zinc/15/35/29/569153529.db2.gz SWOPECAZEHLJQB-UHFFFAOYSA-N -1 0 412.511 4.395 50 0 HIAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)CN2C(=O)C(C)C ZINC000065021113 569154222 /nfs/dbraw/zinc/15/42/22/569154222.db2.gz ATVDEFBHTKNUHK-UHFFFAOYSA-N -1 0 416.543 4.085 50 0 HIAARM CCn1c(C)c(-c2nc(C3CC3)no2)c(S(=O)(=O)[N-]c2cc(F)ccc2C)c1C ZINC000065194629 569192811 /nfs/dbraw/zinc/19/28/11/569192811.db2.gz YDVURKMOFPKNOJ-UHFFFAOYSA-N -1 0 418.494 4.301 50 0 HIAARM C[C@H](NC(=O)c1c([O-])c2sccc2n(Cc2ccccc2)c1=O)c1ccc(F)cc1 ZINC000065215727 569197720 /nfs/dbraw/zinc/19/77/20/569197720.db2.gz JRAXLKMXXZVHBM-AWEZNQCLSA-N -1 0 422.481 4.447 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccsc2)ccc1C ZINC000007230639 569229596 /nfs/dbraw/zinc/22/95/96/569229596.db2.gz WHEDRWZNBDVCOU-UHFFFAOYSA-N -1 0 402.497 4.118 50 0 HIAARM COc1ccc(-c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2)nn1 ZINC000007428254 569238506 /nfs/dbraw/zinc/23/85/06/569238506.db2.gz NWEGZIAWBZIRKG-UHFFFAOYSA-N -1 0 410.282 4.260 50 0 HIAARM Cc1ccc(NC(=O)c2c(NC(=O)CCC(=O)[O-])sc3c2CC[C@H](C)C3)cc1 ZINC000004590226 569255524 /nfs/dbraw/zinc/25/55/24/569255524.db2.gz ZLSPPEQDOMNSIA-ZDUSSCGKSA-N -1 0 400.500 4.237 50 0 HIAARM CC(=O)Oc1ccc([C@@H]2Nc3c(C(=O)[O-])cccc3[C@H]3C=CC[C@H]32)c(OC(C)=O)c1 ZINC000005726380 569255948 /nfs/dbraw/zinc/25/59/48/569255948.db2.gz VSQAFEYWXIWCNY-GCKMJXCFSA-N -1 0 407.422 4.062 50 0 HIAARM Cc1n[n-]c(=S)n1-c1cccc(NC(=O)c2ccc(N3CCCCCC3)nc2)c1 ZINC000089736190 569263170 /nfs/dbraw/zinc/26/31/70/569263170.db2.gz VJHFYUFQDJLBKO-UHFFFAOYSA-N -1 0 408.531 4.266 50 0 HIAARM O=C(NCc1ccccn1)c1ccc2c(c1)[n-]c(=S)n(CCC1=CCCCC1)c2=O ZINC000003043839 569278553 /nfs/dbraw/zinc/27/85/53/569278553.db2.gz RWPWCOJVFMXWIO-UHFFFAOYSA-N -1 0 420.538 4.275 50 0 HIAARM Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(C)c3cc2c1C ZINC000002104466 569281997 /nfs/dbraw/zinc/28/19/97/569281997.db2.gz LQANMTCDSIECLC-SFHVURJKSA-N -1 0 413.470 4.013 50 0 biogenic HIAARM COc1ccc(COc2cc(N)c(C(=O)[O-])cc2OCc2ccc(OC)cc2)cc1 ZINC000098181627 569284940 /nfs/dbraw/zinc/28/49/40/569284940.db2.gz PKDLSLPWUAYHIZ-UHFFFAOYSA-N -1 0 409.438 4.142 50 0 HIAARM Cc1c(OCc2cccc(Br)c2)ccc2c(C)c(CC(=O)[O-])c(=O)oc12 ZINC000002149905 569289912 /nfs/dbraw/zinc/28/99/12/569289912.db2.gz STHJGDCGBDTTHP-UHFFFAOYSA-N -1 0 417.255 4.378 50 0 biogenic HIAARM O=C([O-])Cc1coc2cc(OS(=O)(=O)c3cc(Cl)ccc3Cl)ccc12 ZINC000007783354 569310195 /nfs/dbraw/zinc/31/01/95/569310195.db2.gz HJBVKNKMPJCQBF-UHFFFAOYSA-N -1 0 401.223 4.134 50 0 HIAARM Cc1n[nH]c(SC(=Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)[O-])n1 ZINC000006588304 569333481 /nfs/dbraw/zinc/33/34/81/569333481.db2.gz KZPLKQATHMWMSX-AUWJEWJLSA-N -1 0 406.807 4.153 50 0 HIAARM CC(C)Cc1nc2sc3c(ncnc3SCC(=O)[O-])c2c2c1COC(C)(C)C2 ZINC000002425346 569398541 /nfs/dbraw/zinc/39/85/41/569398541.db2.gz WOPFWAWBLNALGW-UHFFFAOYSA-N -1 0 417.556 4.466 50 0 HIAARM CCOc1cccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3cccc(OC)c3)n2)c1O ZINC000013363592 569412117 /nfs/dbraw/zinc/41/21/17/569412117.db2.gz ZLCJKODDGAQGBL-UHFFFAOYSA-N -1 0 405.410 4.103 50 0 HIAARM C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccccc2)c3=O)[C@H]1C ZINC000334158718 571050365 /nfs/dbraw/zinc/05/03/65/571050365.db2.gz DLVNGUYTERDIKD-GUXCAODWSA-N -1 0 421.566 4.288 50 0 HIAARM COc1ccc(-c2cnc(C)o2)cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000008608261 571092980 /nfs/dbraw/zinc/09/29/80/571092980.db2.gz BZBFPBMSTHYHAY-UHFFFAOYSA-N -1 0 412.389 4.478 50 0 HIAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1OC ZINC000008750272 571112121 /nfs/dbraw/zinc/11/21/21/571112121.db2.gz ZFXFLVAULOEJCH-UHFFFAOYSA-N -1 0 420.712 4.311 50 0 HIAARM Cc1cc2c(nc3s/c(=C/c4ccc(-c5ccccc5C(=O)[O-])o4)c(=O)n32)c(C)c1 ZINC000008781107 571118897 /nfs/dbraw/zinc/11/88/97/571118897.db2.gz JFRYLPFKWKOMBZ-YBFXNURJSA-N -1 0 416.458 4.032 50 0 HIAARM Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCCCC(=O)[O-])cc1 ZINC000008867822 571129625 /nfs/dbraw/zinc/12/96/25/571129625.db2.gz ZZLDIDDFURJXAX-NRFANRHFSA-N -1 0 405.450 4.292 50 0 HIAARM CCn1c(C)cc(C([O-])=CS(=O)(=O)Cc2csc(-c3ccc(F)cc3)n2)c1C ZINC000040070142 571151192 /nfs/dbraw/zinc/15/11/92/571151192.db2.gz BOHCAPUHZFWUBV-UHFFFAOYSA-N -1 0 420.531 4.185 50 0 HIAARM O=C1Nc2ccccc2Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc21 ZINC000008961214 571189749 /nfs/dbraw/zinc/18/97/49/571189749.db2.gz OFSGTAYCKFTWFJ-UHFFFAOYSA-N -1 0 402.378 4.124 50 0 HIAARM CCOc1ccc(-c2[nH]nc3nc(-c4ccc(OC)cc4OC)cc(C(=O)[O-])c32)cc1 ZINC000009597478 571272543 /nfs/dbraw/zinc/27/25/43/571272543.db2.gz PBJXVDUWMUBRQE-UHFFFAOYSA-N -1 0 419.437 4.406 50 0 HIAARM COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1cc(C)ccc1OC ZINC000009645766 571276310 /nfs/dbraw/zinc/27/63/10/571276310.db2.gz NTHGMNXDHQHNHW-UHFFFAOYSA-N -1 0 417.508 4.320 50 0 HIAARM COCCCn1c(=O)c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2[n-]c1=S ZINC000010323159 571300289 /nfs/dbraw/zinc/30/02/89/571300289.db2.gz RUZZZJGKMXKIKI-UHFFFAOYSA-N -1 0 421.881 4.140 50 0 HIAARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc4ccccc4n3C(C)=O)C2=O)cc1 ZINC000033286205 571316122 /nfs/dbraw/zinc/31/61/22/571316122.db2.gz UCQWQEXUZJFJBT-UYRXBGFRSA-N -1 0 417.421 4.207 50 0 HIAARM O=C([O-])/C(=C\c1cccc(Cl)c1)c1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000007747518 845404339 /nfs/dbraw/zinc/40/43/39/845404339.db2.gz JMLXXRHORBSVTG-QINSGFPZSA-N -1 0 411.932 4.201 50 0 HIAARM O=C([O-])/C=C/c1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000012993156 845902194 /nfs/dbraw/zinc/90/21/94/845902194.db2.gz DSFMYGUBUDUBMT-FPYGCLRLSA-N -1 0 419.403 4.053 50 0 HIAARM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NCc2ccccc2)c(C)c1 ZINC000033786710 848138801 /nfs/dbraw/zinc/13/88/01/848138801.db2.gz ZJEQMZHEJHGASZ-UHFFFAOYSA-N -1 0 424.482 4.458 50 0 HIAARM O=C([O-])c1ccc([N-][NH+]=CC2=C(N3CCOCC3)C(=Cc3ccccc3)CC2)cc1 ZINC000254440026 854211181 /nfs/dbraw/zinc/21/11/81/854211181.db2.gz JKGHEBZJPBMGTF-ZVKMFBHQSA-N -1 0 403.482 4.246 50 0 HIAARM Cc1cc(SCC(=O)NN=Cc2ccccc2C(=O)[O-])c(C)cc1Br ZINC000254608584 854212588 /nfs/dbraw/zinc/21/25/88/854212588.db2.gz REOPWWIGNOYPQG-UHFFFAOYSA-N -1 0 421.316 4.007 50 0 HIAARM O=C([O-])c1ccccc1C=NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl ZINC000254713492 854213649 /nfs/dbraw/zinc/21/36/49/854213649.db2.gz NFZYQUOPBWPKQL-UHFFFAOYSA-N -1 0 401.797 4.378 50 0 HIAARM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)c2ccco2)s1 ZINC000005099603 132301080 /nfs/dbraw/zinc/30/10/80/132301080.db2.gz NHUKPOFOVMMVEK-UHFFFAOYSA-N -1 0 416.524 4.297 50 0 HIAARM CCC(Nc1ccc2c(c1)CCC2)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000005625227 132307147 /nfs/dbraw/zinc/30/71/47/132307147.db2.gz LODOVYDUNSWYJE-VHEBQXMUSA-N -1 0 409.873 4.188 50 0 HIAARM Cc1ccc(C(=O)Nc2ccc(N3CCN(c4ccccc4)CC3)c(C(=O)[O-])c2)cc1 ZINC000033078554 132776498 /nfs/dbraw/zinc/77/64/98/132776498.db2.gz BIQCPPRQEGXGJD-UHFFFAOYSA-N -1 0 415.493 4.272 50 0 HIAARM CN1c2ccccc2[C@@]2(CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)C1=O ZINC000032070609 524035814 /nfs/dbraw/zinc/03/58/14/524035814.db2.gz UHOFBVGKCHNUJZ-JOCHJYFZSA-N -1 0 404.447 4.368 50 0 HIAARM COc1cccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(F)c4)c32)c1OC ZINC000044890024 524175053 /nfs/dbraw/zinc/17/50/53/524175053.db2.gz DXCPBYNQUAUPNX-OAHLLOKOSA-N -1 0 410.401 4.455 50 0 HIAARM Cc1cccc(Oc2ccccc2[N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c1 ZINC000012541609 524788163 /nfs/dbraw/zinc/78/81/63/524788163.db2.gz QBMKLIGRCTUKNH-UHFFFAOYSA-N -1 0 408.479 4.107 50 0 HIAARM O=C([O-])c1cccc(-n2cccc2/C=C2/SC(=O)N(Cc3ccccc3)C2=O)c1 ZINC000032117128 526387517 /nfs/dbraw/zinc/38/75/17/526387517.db2.gz BZGOLYNMWMSFGX-CPNJWEJPSA-N -1 0 404.447 4.412 50 0 HIAARM O=C([O-])c1cccc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2ccc(Cl)cc2F)c1 ZINC000040288552 526392007 /nfs/dbraw/zinc/39/20/07/526392007.db2.gz UWVFASWIZXJIHG-SFHVURJKSA-N -1 0 414.824 4.080 50 0 HIAARM Cc1nc(-c2ccccc2F)sc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000040287750 526605637 /nfs/dbraw/zinc/60/56/37/526605637.db2.gz UOEBNBGKAVUXPJ-SFHVURJKSA-N -1 0 423.469 4.165 50 0 HIAARM O=C([O-])[C@@H](Cc1ccc(F)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000000621945 557019402 /nfs/dbraw/zinc/01/94/02/557019402.db2.gz IXUMACXMEZBPJG-JOCHJYFZSA-N -1 0 405.425 4.360 50 0 HIAARM COc1cc(-c2cc(C(=O)[O-])c3cc(Br)ccc3n2)cc(OC)c1OC ZINC000000652146 557038969 /nfs/dbraw/zinc/03/89/69/557038969.db2.gz LDZWGFSPNFMECV-UHFFFAOYSA-N -1 0 418.243 4.388 50 0 HIAARM COc1cc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)c(OC)cc1Cl ZINC000000784131 557079827 /nfs/dbraw/zinc/07/98/27/557079827.db2.gz FWEIHKKWDFQWEY-UHFFFAOYSA-N -1 0 418.902 4.144 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2Cl)cc1 ZINC000000827237 557094464 /nfs/dbraw/zinc/09/44/64/557094464.db2.gz IZCRGZGSLGJXGI-UHFFFAOYSA-N -1 0 416.886 4.402 50 0 HIAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)n1 ZINC000000898282 557113623 /nfs/dbraw/zinc/11/36/23/557113623.db2.gz RAFGADVQQYVCFJ-UHFFFAOYSA-N -1 0 424.526 4.136 50 0 HIAARM Cc1nn(-c2ccccc2)c2ncc(C(=O)c3cc(Br)ccc3[O-])cc12 ZINC000000984703 557131797 /nfs/dbraw/zinc/13/17/97/557131797.db2.gz BPTLYEQFOVWOHL-UHFFFAOYSA-N -1 0 408.255 4.428 50 0 HIAARM Cc1ccc(-c2[nH]nc3c2[C@@H](c2cccnc2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1 ZINC000002746410 557377545 /nfs/dbraw/zinc/37/75/45/557377545.db2.gz MQXHVSXRMFWVGZ-JOCHJYFZSA-N -1 0 410.433 4.228 50 0 HIAARM COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000002767150 557382716 /nfs/dbraw/zinc/38/27/16/557382716.db2.gz YSHCRIORPHRARX-CVEARBPZSA-N -1 0 413.495 4.424 50 0 HIAARM CCCOc1ccc(/C=C\C(=O)Nc2cc(OC)c(C(=O)[O-])cc2Cl)cc1OC ZINC000097333103 557448755 /nfs/dbraw/zinc/44/87/55/557448755.db2.gz VPAALYWFPXOJGW-VURMDHGXSA-N -1 0 419.861 4.496 50 0 HIAARM O=C([O-])c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1 ZINC000003269668 557465967 /nfs/dbraw/zinc/46/59/67/557465967.db2.gz MXTUBBUJFYQJBL-UHFFFAOYSA-N -1 0 401.871 4.434 50 0 HIAARM COc1cc(/C=C(/NC(=O)c2ccccc2)C(=O)[O-])ccc1OCc1ccccc1 ZINC000004526082 557563858 /nfs/dbraw/zinc/56/38/58/557563858.db2.gz VKCKMTWWZPJOES-XSFVSMFZSA-N -1 0 403.434 4.130 50 0 HIAARM CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000004614257 557572581 /nfs/dbraw/zinc/57/25/81/557572581.db2.gz GZMWRCRHFBWVNU-MJBXVCDLSA-N -1 0 420.575 4.218 50 0 HIAARM CCCC[C@@H](CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1 ZINC000004618355 557573109 /nfs/dbraw/zinc/57/31/09/557573109.db2.gz OXNITNRPCVMUNU-MRXNPFEDSA-N -1 0 404.536 4.049 50 0 HIAARM O=C(CSc1nc(-c2ccc(Cl)cc2)nc(=O)[n-]1)Nc1cccc(Cl)c1 ZINC000005176596 557638961 /nfs/dbraw/zinc/63/89/61/557638961.db2.gz VYNAMHOZGALHLW-UHFFFAOYSA-N -1 0 407.282 4.282 50 0 HIAARM O=S(=O)([N-]c1cnn(Cc2ccc(F)cc2Cl)c1)c1ccc(Cl)cc1 ZINC000002780284 557761657 /nfs/dbraw/zinc/76/16/57/557761657.db2.gz YBTULTRVJVUCBY-UHFFFAOYSA-N -1 0 400.262 4.178 50 0 HIAARM CCc1nc2sc([C@@H](c3ccccc3F)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000022855053 557842052 /nfs/dbraw/zinc/84/20/52/557842052.db2.gz OOHJNGVOUBMDKH-LJQANCHMSA-N -1 0 408.502 4.346 50 0 HIAARM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N(C)C)c2)c1Cl ZINC000022514512 558493705 /nfs/dbraw/zinc/49/37/05/558493705.db2.gz NUEPCXRQHBTPHS-UHFFFAOYSA-N -1 0 401.315 4.113 50 0 HIAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(OCc3ccccc3)cc2)c1 ZINC000024152815 558590834 /nfs/dbraw/zinc/59/08/34/558590834.db2.gz YJHYAKASXRZGPF-UHFFFAOYSA-N -1 0 411.479 4.017 50 0 HIAARM O=C([O-])c1ccc(NC(=O)c2cccc(NC(=O)COc3ccccc3Cl)c2)cc1 ZINC000013941646 558604454 /nfs/dbraw/zinc/60/44/54/558604454.db2.gz MSLPNJUYLKBAPD-UHFFFAOYSA-N -1 0 424.840 4.308 50 0 HIAARM O=C(Nc1ccc(F)cc1)C(=Cc1ccc(-c2ccccc2Cl)o1)c1nnn[n-]1 ZINC000027562032 558675050 /nfs/dbraw/zinc/67/50/50/558675050.db2.gz ADEBASHHOLJASZ-LFIBNONCSA-N -1 0 409.808 4.432 50 0 HIAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1nc2ccccc2nc1Nc1ccc(O)cc1 ZINC000015911232 558761737 /nfs/dbraw/zinc/76/17/37/558761737.db2.gz XTNNDTXOWQRXDL-UHFFFAOYSA-N -1 0 424.457 4.327 50 0 HIAARM CC(C)Oc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(Br)c2)cc1 ZINC000004580852 558766877 /nfs/dbraw/zinc/76/68/77/558766877.db2.gz HEIZTSRYYRBYDS-QGZVFWFLSA-N -1 0 406.276 4.182 50 0 HIAARM CCCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(OCC)c(OCC)c2)cc1 ZINC000004581231 558767182 /nfs/dbraw/zinc/76/71/82/558767182.db2.gz ONKMRAJUWHQGTH-IBGZPJMESA-N -1 0 415.486 4.219 50 0 HIAARM COc1ccccc1N1C(=O)S/C(=C\c2ccc(OCC(=O)[O-])c(Cl)c2)C1=O ZINC000016225225 558779432 /nfs/dbraw/zinc/77/94/32/558779432.db2.gz FBWJZAJXMSQWHN-SXGWCWSVSA-N -1 0 419.842 4.053 50 0 HIAARM Cc1cccc(NC(=O)c2c(NC(=O)CCCC(=O)[O-])sc3c2CCCC3)c1 ZINC000017081995 558813900 /nfs/dbraw/zinc/81/39/00/558813900.db2.gz CQCVOEDFUBEAMA-UHFFFAOYSA-N -1 0 400.500 4.381 50 0 HIAARM CC(C)NC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CC[C@H](C(C)(C)C)C2 ZINC000017088087 558816850 /nfs/dbraw/zinc/81/68/50/558816850.db2.gz QRVHHWSKWBRMHD-ZDUSSCGKSA-N -1 0 408.564 4.231 50 0 HIAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCC2 ZINC000017088519 558817315 /nfs/dbraw/zinc/81/73/15/558817315.db2.gz JNFMVOLNNHVKSW-GJZGRUSLSA-N -1 0 410.495 4.095 50 0 HIAARM CCc1c(C)sc(NC(=O)C[C@H](C)CC(=O)[O-])c1C(=O)Nc1ccccc1OC ZINC000017091461 558819978 /nfs/dbraw/zinc/81/99/78/558819978.db2.gz OMXRPYLUJIXBQX-LBPRGKRZSA-N -1 0 418.515 4.319 50 0 HIAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CCC2 ZINC000017091529 558820103 /nfs/dbraw/zinc/82/01/03/558820103.db2.gz LMMIJIBZCJXJOF-CABCVRRESA-N -1 0 418.559 4.129 50 0 HIAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CCC2 ZINC000017091526 558820106 /nfs/dbraw/zinc/82/01/06/558820106.db2.gz LMMIJIBZCJXJOF-LSDHHAIUSA-N -1 0 418.559 4.129 50 0 HIAARM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000039959783 558822897 /nfs/dbraw/zinc/82/28/97/558822897.db2.gz DCXXCVCUJUTXSF-SGTLLEGYSA-N -1 0 405.372 4.273 50 0 HIAARM CCC(=O)Nc1ccc(N2CCN(c3cc(Cl)ccc3C)CC2)c(C(=O)[O-])c1 ZINC000033078585 558868153 /nfs/dbraw/zinc/86/81/53/558868153.db2.gz FNRVKZOMKGFTPC-UHFFFAOYSA-N -1 0 401.894 4.022 50 0 HIAARM COc1ccc(-c2nc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3)no2)cc1 ZINC000033122911 558879572 /nfs/dbraw/zinc/87/95/72/558879572.db2.gz JGDFADTYMMVBAQ-UHFFFAOYSA-N -1 0 413.480 4.275 50 0 HIAARM Cc1ccc(S(=O)(=O)Nc2ccc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)c(C)c1 ZINC000033253463 558921430 /nfs/dbraw/zinc/92/14/30/558921430.db2.gz OUILEZYPAAFHMJ-UHFFFAOYSA-N -1 0 424.522 4.439 50 0 HIAARM Cc1cc(C)cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC(C)CC2)c1 ZINC000033253896 558921908 /nfs/dbraw/zinc/92/19/08/558921908.db2.gz VRXOLZTZYXWDRM-UHFFFAOYSA-N -1 0 402.516 4.039 50 0 HIAARM Cc1c2c(cc(=O)n1CCc1c[nH]c3ccccc13)[n-]n(-c1ccc(Cl)cc1)c2=O ZINC000059707489 558938317 /nfs/dbraw/zinc/93/83/17/558938317.db2.gz XNWGCADRQRXKFN-UHFFFAOYSA-N -1 0 418.884 4.166 50 0 HIAARM CCSc1nc2ccc([N-]S(=O)(=O)c3cc(C)ccc3NC(C)=O)cc2s1 ZINC000033298856 559048122 /nfs/dbraw/zinc/04/81/22/559048122.db2.gz APHFVDKDPIVWGC-UHFFFAOYSA-N -1 0 421.569 4.476 50 0 HIAARM COc1ccc(Cl)cc1NC(=O)c1c([O-])c2ccccc2n(CC(C)C)c1=O ZINC000100470426 559135539 /nfs/dbraw/zinc/13/55/39/559135539.db2.gz GHICBKVVIGSICW-UHFFFAOYSA-N -1 0 400.862 4.277 50 0 HIAARM COC(=O)c1cnc([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)c(Cl)c1 ZINC000328593990 559167100 /nfs/dbraw/zinc/16/71/00/559167100.db2.gz GKMMOVIXQIBCLJ-UHFFFAOYSA-N -1 0 417.295 4.191 50 0 HIAARM COc1cc(-c2cc(C(=O)[O-])c3nc(-c4ccccc4)[nH]c3n2)cc(OC)c1OC ZINC000011694700 559188356 /nfs/dbraw/zinc/18/83/56/559188356.db2.gz NXJCHTIFMWNINL-UHFFFAOYSA-N -1 0 405.410 4.016 50 0 HIAARM O=C([O-])CC[C@H](c1ncc(C(F)(F)F)cc1Cl)S(=O)(=O)c1ccccc1 ZINC000005279592 560561895 /nfs/dbraw/zinc/56/18/95/560561895.db2.gz RALWUSQHVNZHAW-CYBMUJFWSA-N -1 0 407.797 4.134 50 0 HIAARM Cc1cccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3/C=C/c2ccccc2)c1 ZINC000101298366 560791161 /nfs/dbraw/zinc/79/11/61/560791161.db2.gz KNAWVPGVPGFRGZ-DOJUMQAQSA-N -1 0 400.438 4.092 50 0 HIAARM O=C(Nc1ccccc1Cl)c1c([O-])c2cccnc2n(Cc2ccccc2)c1=O ZINC000101722816 560799011 /nfs/dbraw/zinc/79/90/11/560799011.db2.gz JGBHXCJSMAQEOL-UHFFFAOYSA-N -1 0 405.841 4.056 50 0 HIAARM Cn1c(=O)c(C2=Nc3ccccc3S[C@@H](c3cccc(O)c3)C2)c([O-])[nH]c1=S ZINC000101767074 560799820 /nfs/dbraw/zinc/79/98/20/560799820.db2.gz QEDCZJHXAQBNJR-MRXNPFEDSA-N -1 0 411.508 4.212 50 0 HIAARM Cn1c(=O)c(C2=Nc3ccccc3S[C@H](c3cccc(O)c3)C2)c([O-])[nH]c1=S ZINC000101767069 560799829 /nfs/dbraw/zinc/79/98/29/560799829.db2.gz QEDCZJHXAQBNJR-INIZCTEOSA-N -1 0 411.508 4.212 50 0 HIAARM Cn1c(=O)c(C2=Nc3ccccc3S[C@@H](c3ccc(O)cc3)C2)c([O-])[nH]c1=S ZINC000101767058 560799860 /nfs/dbraw/zinc/79/98/60/560799860.db2.gz BUQQTQJLYNAOFN-MRXNPFEDSA-N -1 0 411.508 4.212 50 0 HIAARM O=C(Nc1ccc(F)cc1)c1ccc2[n-]cc3c(=O)n(-c4ccc(F)cc4)nc-3c2c1 ZINC000101828842 560802748 /nfs/dbraw/zinc/80/27/48/560802748.db2.gz INUWDZZFBSBMNB-UHFFFAOYSA-N -1 0 416.387 4.349 50 0 HIAARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1CCC(=O)NC(C)C ZINC000101833126 560803022 /nfs/dbraw/zinc/80/30/22/560803022.db2.gz SNBBIKYSWBOJFW-UHFFFAOYSA-N -1 0 404.923 4.120 50 0 HIAARM Cc1csc(-n2[n-]c(C)c(CCC(=O)Nc3cccc(C(F)(F)F)c3)c2=O)n1 ZINC000101832664 560803053 /nfs/dbraw/zinc/80/30/53/560803053.db2.gz BIVLVDKKVODPKB-UHFFFAOYSA-N -1 0 410.421 4.241 50 0 HIAARM Cc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@@H]2c1ccccc1Cl ZINC000101835941 560803496 /nfs/dbraw/zinc/80/34/96/560803496.db2.gz LTAYBSWXQGLBJU-GOSISDBHSA-N -1 0 408.845 4.081 50 0 HIAARM Cc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccc(Cl)cc2)cc1 ZINC000101836301 560803541 /nfs/dbraw/zinc/80/35/41/560803541.db2.gz UTBOJBKAQRFYRH-SFHVURJKSA-N -1 0 408.845 4.081 50 0 HIAARM O=C([O-])C1(CC(=O)Nc2ccc(I)cc2)CCCCCC1 ZINC000013251925 560804199 /nfs/dbraw/zinc/80/41/99/560804199.db2.gz TWARUSUZUZGNDV-UHFFFAOYSA-N -1 0 401.244 4.045 50 0 HIAARM O=C([O-])C1=Nc2c(C(=O)Nc3cccc(Cl)c3)cnn2[C@H](/C=C/c2ccccc2)C1 ZINC000102901477 560835018 /nfs/dbraw/zinc/83/50/18/560835018.db2.gz XISRCOYOXBDCHW-OAGJVSPASA-N -1 0 420.856 4.437 50 0 HIAARM O=c1oc2ccccc2c(NC2CCCCC2)c1NS(=O)(=O)c1ccccc1F ZINC000045962003 568422852 /nfs/dbraw/zinc/42/28/52/568422852.db2.gz VWEJCMKLOYKBIH-UHFFFAOYSA-N -1 0 416.474 4.478 50 0 HIAARM COc1cc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4Cl)c32)ccc1O ZINC000049548266 568451678 /nfs/dbraw/zinc/45/16/78/568451678.db2.gz QWWZBALILJUXFO-LBPRGKRZSA-N -1 0 412.829 4.017 50 0 HIAARM Cc1cccc2cc([C@H]3CC(c4ccco4)=NN3C(=O)CCC(=O)[O-])c(Cl)nc12 ZINC000000798797 568483056 /nfs/dbraw/zinc/48/30/56/568483056.db2.gz XJDQDRIZVOCAOC-MRXNPFEDSA-N -1 0 411.845 4.332 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC(C)CC3)ccc2Cl)cc1 ZINC000008157082 568491135 /nfs/dbraw/zinc/49/11/35/568491135.db2.gz RBJJDVPQEFTFOP-UHFFFAOYSA-N -1 0 422.934 4.022 50 0 HIAARM O=C([O-])C1(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)CCCCC1 ZINC000095349570 568600734 /nfs/dbraw/zinc/60/07/34/568600734.db2.gz JCNXDKRZPDFKGK-UHFFFAOYSA-N -1 0 411.285 4.485 50 0 HIAARM CCOc1cc2c(cc1OCC)[C@H](CC(=O)[O-])N(C(=O)Nc1cccc(C)c1)CC2 ZINC000020515490 568622798 /nfs/dbraw/zinc/62/27/98/568622798.db2.gz KQZPRTWPUQLTFC-IBGZPJMESA-N -1 0 412.486 4.398 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000020977881 568653959 /nfs/dbraw/zinc/65/39/59/568653959.db2.gz XKBFEDUPPKOSLS-UHFFFAOYSA-N -1 0 404.391 4.231 50 0 HIAARM O=S(=O)([N-]c1ccccc1-c1cn[nH]c1)c1ccc(Br)c(Cl)c1 ZINC000096011300 568684007 /nfs/dbraw/zinc/68/40/07/568684007.db2.gz ZMRSZQGXSUESQL-UHFFFAOYSA-N -1 0 412.696 4.293 50 0 HIAARM O=C([O-])[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)Oc1ccccc1 ZINC000685939885 568722286 /nfs/dbraw/zinc/72/22/86/568722286.db2.gz VQLWJUHULQDQPH-JOCHJYFZSA-N -1 0 403.434 4.057 50 0 HIAARM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)c1C ZINC000096319970 568728310 /nfs/dbraw/zinc/72/83/10/568728310.db2.gz YUBCIMGIEXGRMM-UHFFFAOYSA-N -1 0 424.828 4.281 50 0 HIAARM Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2 ZINC000021661059 568735748 /nfs/dbraw/zinc/73/57/48/568735748.db2.gz NJGOAMIEPNIXQC-OAHLLOKOSA-N -1 0 418.478 4.271 50 0 HIAARM O=C([O-])[C@H]1CC(=O)N(Cc2ccccc2)C(=Nc2ccc(OC(F)(F)F)cc2)S1 ZINC000001066224 568766759 /nfs/dbraw/zinc/76/67/59/568766759.db2.gz WNDPOWHXYVZJNT-OAHLLOKOSA-N -1 0 424.400 4.192 50 0 HIAARM O=C(NC1CCCCC1)C1CCC(Cn2c(=O)c3sccc3[n-]c2=S)CC1 ZINC000002925576 568817406 /nfs/dbraw/zinc/81/74/06/568817406.db2.gz ANCIYLZHGSKINP-UHFFFAOYSA-N -1 0 405.589 4.376 50 0 HIAARM O=C(Nc1cccc2ncccc21)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000012508418 568840129 /nfs/dbraw/zinc/84/01/29/568840129.db2.gz MGPAOLQIPHHCDD-UHFFFAOYSA-N -1 0 409.492 4.349 50 0 HIAARM Cn1cnnc1Sc1ccccc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000012521013 568841549 /nfs/dbraw/zinc/84/15/49/568841549.db2.gz QBWBEMHAKCWHRO-UHFFFAOYSA-N -1 0 415.327 4.074 50 0 HIAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)ccc1Cl ZINC000012521168 568841728 /nfs/dbraw/zinc/84/17/28/568841728.db2.gz XYKVSKBTGJKEJY-UHFFFAOYSA-N -1 0 423.874 4.271 50 0 HIAARM O=C(Nc1ncc(C([O-])(C(F)(F)F)C(F)(F)F)s1)c1ccccc1Cl ZINC000003189941 568860570 /nfs/dbraw/zinc/86/05/70/568860570.db2.gz CEUNKRMFJLNFJN-UHFFFAOYSA-N -1 0 404.719 4.361 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2ccccc2)c1 ZINC000003229459 568864773 /nfs/dbraw/zinc/86/47/73/568864773.db2.gz TUUPCABAOWGVQD-UHFFFAOYSA-N -1 0 424.522 4.077 50 0 HIAARM O=C(NCCc1ccccc1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1)c2=O ZINC000003630428 568865192 /nfs/dbraw/zinc/86/51/92/568865192.db2.gz JQXUGJYZDZCUBX-UHFFFAOYSA-N -1 0 415.518 4.080 50 0 HIAARM CCc1c([N-]S(=O)(=O)c2cccs2)[nH]nc1-c1ccc(Br)cc1 ZINC000083817680 568917698 /nfs/dbraw/zinc/91/76/98/568917698.db2.gz QZVMDFLAUWMZKD-UHFFFAOYSA-N -1 0 412.334 4.264 50 0 HIAARM O=S(=O)([N-]c1ccccc1-c1nnc2n1CCCCC2)c1cccc(Cl)c1 ZINC000012741757 568929668 /nfs/dbraw/zinc/92/96/68/568929668.db2.gz XOMJQFYOLOOKBA-UHFFFAOYSA-N -1 0 402.907 4.126 50 0 HIAARM CCCCN(CC)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OCC)cc1 ZINC000012778603 568956180 /nfs/dbraw/zinc/95/61/80/568956180.db2.gz PPBNQTFWQOLURA-UHFFFAOYSA-N -1 0 404.532 4.148 50 0 HIAARM Cc1ccc2nc([N-]S(=O)(=O)c3ccc4c(c3)NC(=O)C[C@@H](C)S4)sc2c1 ZINC000015730501 568981148 /nfs/dbraw/zinc/98/11/48/568981148.db2.gz KVXODTCNPIVTGC-LLVKDONJSA-N -1 0 419.553 4.228 50 0 HIAARM CCCCCCOc1ccc(C(=O)Nc2cc(S(=O)(=O)CC)ccc2[O-])cc1 ZINC000008390969 568998335 /nfs/dbraw/zinc/99/83/35/568998335.db2.gz UKRMBWHZGZDUCA-UHFFFAOYSA-N -1 0 405.516 4.397 50 0 HIAARM COC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])sc(C)c1-c1ccc(C)cc1 ZINC000006214995 569033255 /nfs/dbraw/zinc/03/32/55/569033255.db2.gz NDDPVTRXVJYTHC-JKSUJKDBSA-N -1 0 413.495 4.424 50 0 HIAARM COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])sc(C)c1-c1ccc(C)cc1 ZINC000006214989 569033302 /nfs/dbraw/zinc/03/33/02/569033302.db2.gz NDDPVTRXVJYTHC-HZPDHXFCSA-N -1 0 413.495 4.424 50 0 HIAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3ccccc3Cl)C2)cc1 ZINC000006441512 569052808 /nfs/dbraw/zinc/05/28/08/569052808.db2.gz WKGOPAIGWHWWIC-LJQANCHMSA-N -1 0 400.862 4.281 50 0 HIAARM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)o2)c1 ZINC000006446979 569052980 /nfs/dbraw/zinc/05/29/80/569052980.db2.gz GPZCFDMVIYKQOP-ZDLGFXPLSA-N -1 0 422.849 4.069 50 0 HIAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccc(-c2ccccc2)cc1 ZINC000001792765 569053227 /nfs/dbraw/zinc/05/32/27/569053227.db2.gz ASCUVPMVRVOQHF-QHCPKHFHSA-N -1 0 414.461 4.026 50 0 HIAARM COc1cccc([C@H]2[C@@H](C(=O)[O-])c3ccccc3C(=O)N2Cc2ccc(F)cc2)c1 ZINC000006779237 569119375 /nfs/dbraw/zinc/11/93/75/569119375.db2.gz NENQJABXADYFQA-VXKWHMMOSA-N -1 0 405.425 4.400 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)c(OC)c1 ZINC000065004225 569152384 /nfs/dbraw/zinc/15/23/84/569152384.db2.gz VVUSWXKPAKGYSL-UHFFFAOYSA-N -1 0 420.512 4.489 50 0 HIAARM CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CSCC(=O)[O-] ZINC000006880619 569165450 /nfs/dbraw/zinc/16/54/50/569165450.db2.gz DHOBJTWHQRPWND-UHFFFAOYSA-N -1 0 413.904 4.002 50 0 HIAARM CCc1nnc(-c2c(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c(C)n2CC)o1 ZINC000065186597 569192208 /nfs/dbraw/zinc/19/22/08/569192208.db2.gz IXZLMLBKAXHKRZ-UHFFFAOYSA-N -1 0 402.520 4.155 50 0 HIAARM COc1ccccc1NC(=O)c1c([O-])c2sccc2n(Cc2ccccc2)c1=O ZINC000065215642 569197588 /nfs/dbraw/zinc/19/75/88/569197588.db2.gz OXKSSYOTTUZFCI-UHFFFAOYSA-N -1 0 406.463 4.078 50 0 HIAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000014371717 569259721 /nfs/dbraw/zinc/25/97/21/569259721.db2.gz BRKMXGXHHJAOLM-UHFFFAOYSA-N -1 0 403.507 4.165 50 0 HIAARM O=C([O-])[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]([C@@H]2CCCO2)C1 ZINC000675069168 569260484 /nfs/dbraw/zinc/26/04/84/569260484.db2.gz CMGFCALTFRYOFS-XARZLDAJSA-N -1 0 421.493 4.280 50 0 HIAARM O=C([O-])[C@H](CCOc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000226811512 569279507 /nfs/dbraw/zinc/27/95/07/569279507.db2.gz DFSBFNQOGULCOD-QHCPKHFHSA-N -1 0 417.461 4.447 50 0 HIAARM O=C([O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1CCOC2(CCC2)C1 ZINC000227174345 569279603 /nfs/dbraw/zinc/27/96/03/569279603.db2.gz KGDURSJCUICWCO-OPAMFIHVSA-N -1 0 421.493 4.328 50 0 HIAARM Cc1coc2c1cc1c(C)c(CCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(=O)oc1c2C ZINC000002102914 569281450 /nfs/dbraw/zinc/28/14/50/569281450.db2.gz HOOLKKGFRFYWHA-SFHVURJKSA-N -1 0 413.470 4.013 50 0 biogenic HIAARM CCCC[C@@H](NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)[O-] ZINC000002103552 569281672 /nfs/dbraw/zinc/28/16/72/569281672.db2.gz PLRVORZITXZFGM-GOSISDBHSA-N -1 0 413.470 4.157 50 0 biogenic HIAARM CC[C@@H](C)[C@H](NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)[O-] ZINC000002152373 569290137 /nfs/dbraw/zinc/29/01/37/569290137.db2.gz RTMWZVZZSDUVRP-FIKIJFGZSA-N -1 0 413.470 4.013 50 0 biogenic HIAARM Cc1ccc(-n2c(=O)c3c(nc2SCC(=O)[O-])sc2c3[C@H](C)CCC2)cc1 ZINC000002278993 569327956 /nfs/dbraw/zinc/32/79/56/569327956.db2.gz QUKHKRZCPZTMMZ-GFCCVEGCSA-N -1 0 400.525 4.372 50 0 HIAARM COc1cccc(-c2[nH]nc3nc(-c4ccc(OC)c(OC)c4)cc(C(=O)[O-])c32)c1 ZINC000013363548 569411990 /nfs/dbraw/zinc/41/19/90/569411990.db2.gz AEWTVTZFMKQOPZ-UHFFFAOYSA-N -1 0 405.410 4.016 50 0 HIAARM O=C(c1csc(-c2cccc(C(F)(F)F)c2)n1)N1CCCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000328592031 569415231 /nfs/dbraw/zinc/41/52/31/569415231.db2.gz PLFWZDIPRFOYOX-ZDUSSCGKSA-N -1 0 423.420 4.020 50 0 HIAARM O=S(=O)([N-]c1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1ccccc1Cl ZINC000008610194 571094529 /nfs/dbraw/zinc/09/45/29/571094529.db2.gz BIWGQCFVKLJTIF-UHFFFAOYSA-N -1 0 414.918 4.198 50 0 aggregator HIAARM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1OCc1cn2ccccc2n1 ZINC000008719988 571106682 /nfs/dbraw/zinc/10/66/82/571106682.db2.gz BCQARTPWCXPFSA-UHFFFAOYSA-N -1 0 401.422 4.172 50 0 HIAARM CCCn1nc([N-]S(=O)(=O)c2ccc(Cl)cc2)c2cc3ccccc3nc21 ZINC000009329695 571248615 /nfs/dbraw/zinc/24/86/15/571248615.db2.gz GXFXRYMWGMSJPS-UHFFFAOYSA-N -1 0 400.891 4.449 50 0 HIAARM COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009357089 571251341 /nfs/dbraw/zinc/25/13/41/571251341.db2.gz VTXQVQDOPSVSTO-UHFFFAOYSA-N -1 0 424.457 4.322 50 0 HIAARM CCOC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1ccc(C)c(F)c1 ZINC000009646483 571276407 /nfs/dbraw/zinc/27/64/07/571276407.db2.gz TZKXXMFYGUGOFT-UHFFFAOYSA-N -1 0 411.451 4.465 50 0 HIAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)Nc1ccccc1O2 ZINC000009827902 571286616 /nfs/dbraw/zinc/28/66/16/571286616.db2.gz OUMRCMDOTBVNLQ-UHFFFAOYSA-N -1 0 410.451 4.162 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3cccc(Cl)c3)cs2)cc1 ZINC000009828582 571286791 /nfs/dbraw/zinc/28/67/91/571286791.db2.gz FGLROUYGVHLNBJ-UHFFFAOYSA-N -1 0 421.931 4.087 50 0 HIAARM COc1ccc([C@H](CC(=O)Nc2ccc(Cl)cc2)[N-]C(=O)C(F)(F)F)cc1 ZINC000004005651 845045515 /nfs/dbraw/zinc/04/55/15/845045515.db2.gz AXEOIERBDRYNDA-HNNXBMFYSA-N -1 0 400.784 4.097 50 0 HIAARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2C(=O)OCC)c1=O ZINC000005826143 845144616 /nfs/dbraw/zinc/14/46/16/845144616.db2.gz DVQMBZIIODYLEM-UHFFFAOYSA-N -1 0 422.481 4.326 50 0 HIAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(C(=O)OCCC)cc2)c1=O ZINC000005898112 845151042 /nfs/dbraw/zinc/15/10/42/845151042.db2.gz LYIZUMXDNXTURC-UHFFFAOYSA-N -1 0 422.481 4.326 50 0 HIAARM Cc1cc(I)ccc1NCc1n[n-]c(=S)n1-c1ccccc1 ZINC000033678223 848137743 /nfs/dbraw/zinc/13/77/43/848137743.db2.gz UGIICGWLJSQMQQ-UHFFFAOYSA-N -1 0 422.295 4.455 50 0 HIAARM O=C([O-])/C(=C/c1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000096767433 852555329 /nfs/dbraw/zinc/55/53/29/852555329.db2.gz OBDIDXORYYESOY-NTCAYCPXSA-N -1 0 411.932 4.201 50 0 HIAARM Cc1ccc(CNC(=O)c2nnc(/C(Cl)=C\c3ccc(C(=O)[O-])cc3)s2)cc1 ZINC000097003009 852573197 /nfs/dbraw/zinc/57/31/97/852573197.db2.gz DPOZOCOMNSJVIE-MHWRWJLKSA-N -1 0 413.886 4.212 50 0 HIAARM O=C([O-])c1ccc(/C=C(/Cl)c2nnc(C(=O)NCc3ccc(F)cc3)s2)cc1 ZINC000097003025 852573269 /nfs/dbraw/zinc/57/32/69/852573269.db2.gz HCAFCUBKXHILDO-OQLLNIDSSA-N -1 0 417.849 4.042 50 0 HIAARM C=CCn1c(-c2ccccc2)csc1=Nc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000254573210 854212621 /nfs/dbraw/zinc/21/26/21/854212621.db2.gz PVCWXPUUSDFVKP-UHFFFAOYSA-N -1 0 407.495 4.438 50 0 HIAARM COc1cc(OC)c(C=Nn2c(=S)[n-]nc2-c2ccc(Cl)cc2)c(OC)c1 ZINC000254764596 854214420 /nfs/dbraw/zinc/21/44/20/854214420.db2.gz RGMKQINBCULEPZ-UHFFFAOYSA-N -1 0 404.879 4.169 50 0 HIAARM COc1c(Cl)cc(Cl)cc1CNc1ccc(N2CCOCC2)c(C(=O)[O-])c1 ZINC000004705130 132284257 /nfs/dbraw/zinc/28/42/57/132284257.db2.gz WPKTTZLNFWVDIJ-UHFFFAOYSA-N -1 0 411.285 4.149 50 0 HIAARM O=C([O-])c1cc(NC(=O)c2ccccc2)ccc1N1CCN(c2ccc(F)cc2)CC1 ZINC000033078627 132502861 /nfs/dbraw/zinc/50/28/61/132502861.db2.gz LGDODHCFKVJDDE-UHFFFAOYSA-N -1 0 419.456 4.103 50 0 HIAARM O=C([O-])c1cc(/C=C\c2cc3ccccc3nc2N2CCOCC2)nc2ccccc21 ZINC000033528204 132790380 /nfs/dbraw/zinc/79/03/80/132790380.db2.gz LZOPDKHYVGFUHN-KTKRTIGZSA-N -1 0 411.461 4.488 50 0 HIAARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@@H](c2ccc(O)c(OC)c2)CC(=O)N3)cc1 ZINC000040313209 523327569 /nfs/dbraw/zinc/32/75/69/523327569.db2.gz UDRJYNIENUEAHV-OAHLLOKOSA-N -1 0 408.410 4.022 50 0 HIAARM Cc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c(C(C)C)cc1Br ZINC000032602080 525423165 /nfs/dbraw/zinc/42/31/65/525423165.db2.gz DSHWQRPNYNSPAK-UHFFFAOYSA-N -1 0 412.305 4.380 50 0 HIAARM CCOc1ccc2ccccc2c1CNc1ccc(N2CCOCC2)c(C(=O)[O-])c1 ZINC000004703565 535441505 /nfs/dbraw/zinc/44/15/05/535441505.db2.gz KMPCCLMOCSFPBR-UHFFFAOYSA-N -1 0 406.482 4.385 50 0 HIAARM COc1ccc(CC(=O)[O-])cc1SCc1ccccc1I ZINC000000717546 557068755 /nfs/dbraw/zinc/06/87/55/557068755.db2.gz ZLAHDUXBNRBGLI-UHFFFAOYSA-N -1 0 414.264 4.219 50 0 HIAARM COC(=O)c1sc(-c2ccc(C(C)(C)C)cc2)cc1NC(=O)CSCC(=O)[O-] ZINC000001029731 557146528 /nfs/dbraw/zinc/14/65/28/557146528.db2.gz QZLMIUVUIJWPFI-UHFFFAOYSA-N -1 0 421.540 4.256 50 0 HIAARM COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001051785 557160006 /nfs/dbraw/zinc/16/00/06/557160006.db2.gz ZQVXAVHHHTYLCA-UHFFFAOYSA-N -1 0 420.494 4.491 50 0 HIAARM COC(=O)c1c2c(sc1[N-]S(=O)(=O)c1ccc3ccccc3c1)CCCC2 ZINC000001111261 557183772 /nfs/dbraw/zinc/18/37/72/557183772.db2.gz INIWHBZGABIAAS-UHFFFAOYSA-N -1 0 401.509 4.368 50 0 aggregator HIAARM Cc1nc2sc3c(c2c(N[C@@H](Cc2c[nH]c4ccccc24)C(=O)[O-])n1)CCCC3 ZINC000001138948 557202619 /nfs/dbraw/zinc/20/26/19/557202619.db2.gz GHPGQQCSHRWMSS-KRWDZBQOSA-N -1 0 406.511 4.468 50 0 HIAARM O=C([O-])c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1Cl ZINC000001159150 557216998 /nfs/dbraw/zinc/21/69/98/557216998.db2.gz XWRQNXPDZBPEEI-UHFFFAOYSA-N -1 0 403.674 4.472 50 0 HIAARM COc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1NC(=O)c1ccccc1C ZINC000001177930 557228744 /nfs/dbraw/zinc/22/87/44/557228744.db2.gz HTDGDHPTYHOCNK-UHFFFAOYSA-N -1 0 404.422 4.206 50 0 HIAARM Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C(=O)[O-])cc3)ccc2C)c1 ZINC000001196974 557238282 /nfs/dbraw/zinc/23/82/82/557238282.db2.gz FCRLQWTVZZTRKW-UHFFFAOYSA-N -1 0 424.478 4.055 50 0 HIAARM O=C([O-])C[C@@H](Cc1cccnc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002385873 557342816 /nfs/dbraw/zinc/34/28/16/557342816.db2.gz QBMDHZYUTBFELW-QGZVFWFLSA-N -1 0 402.450 4.006 50 0 HIAARM Cc1cc(C)nc([N-]c2n[nH]c(-c3ccc(NC(=O)Nc4ccccc4)cc3)n2)n1 ZINC000002419948 557346150 /nfs/dbraw/zinc/34/61/50/557346150.db2.gz GWRZTUZCLAVMRB-UHFFFAOYSA-N -1 0 400.446 4.266 50 0 HIAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)CCC3CCCCC3)cc2)c1C ZINC000002503084 557353176 /nfs/dbraw/zinc/35/31/76/557353176.db2.gz NLVKXOKOHKJINU-UHFFFAOYSA-N -1 0 405.520 4.391 50 0 HIAARM CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)[O-] ZINC000002583080 557358362 /nfs/dbraw/zinc/35/83/62/557358362.db2.gz HPOOZLUZMYIOFF-HXUWFJFHSA-N -1 0 410.470 4.267 50 0 HIAARM COC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CC[C@@H](c1ccccc1)C2 ZINC000003864262 557501596 /nfs/dbraw/zinc/50/15/96/557501596.db2.gz HSYPMXNKYQOIDA-CQSZACIVSA-N -1 0 401.484 4.001 50 0 HIAARM Cc1ccccc1S(=O)(=O)Nc1cnc(N(CC(C)C)CC(C)C)c(C(=O)[O-])c1 ZINC000035397523 557544833 /nfs/dbraw/zinc/54/48/33/557544833.db2.gz OVSYAXBGRYDVFL-UHFFFAOYSA-N -1 0 419.547 4.007 50 0 HIAARM O=C([O-])[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OCc1ccccc1 ZINC000004521931 557563383 /nfs/dbraw/zinc/56/33/83/557563383.db2.gz IPAODWFPTVIUSZ-QFIPXVFZSA-N -1 0 405.450 4.188 50 0 HIAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(NC(=O)C2CCCCC2)c(Cl)c1 ZINC000004810046 557600185 /nfs/dbraw/zinc/60/01/85/557600185.db2.gz MHZIAIITEAPSAO-HOTGVXAUSA-N -1 0 404.894 4.464 50 0 HIAARM O=C(CSc1nc(-c2ccc(Cl)cc2)nc(=O)[n-]1)Nc1ccc(Cl)cc1 ZINC000005176597 557638882 /nfs/dbraw/zinc/63/88/82/557638882.db2.gz RJZQDZAKEFJGGI-UHFFFAOYSA-N -1 0 407.282 4.282 50 0 HIAARM O=c1nc(SCc2n[n-]c(=S)n2-c2ccccc2)[nH]c2sc3c(c21)CCC3 ZINC000008579877 557795668 /nfs/dbraw/zinc/79/56/68/557795668.db2.gz DWWPXIBQOWEJSH-UHFFFAOYSA-N -1 0 413.553 4.009 50 0 HIAARM CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@H]12 ZINC000009425862 557842638 /nfs/dbraw/zinc/84/26/38/557842638.db2.gz GRYNUPJCHQDLHL-CFDLBASYSA-N -1 0 423.468 4.130 50 0 HIAARM O=C(Nc1ccccc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl)N1CCCC1 ZINC000071977358 558342130 /nfs/dbraw/zinc/34/21/30/558342130.db2.gz VDPANZUFEDEXNS-UHFFFAOYSA-N -1 0 420.343 4.483 50 0 HIAARM CCc1ccc(-c2nc3c(c(=O)[nH]2)CN(C(=O)c2cccc4ccccc42)CC3)cc1 ZINC000004383009 558484200 /nfs/dbraw/zinc/48/42/00/558484200.db2.gz MMLVBIRTKXZSQQ-UHFFFAOYSA-N -1 0 409.489 4.351 50 0 HIAARM O=S(=O)([N-]N=c1[nH]cc(C(F)(F)F)cc1Cl)c1c(Cl)cccc1Cl ZINC000013137225 558521516 /nfs/dbraw/zinc/52/15/16/558521516.db2.gz WZFDUCNUBSCDKY-UHFFFAOYSA-N -1 0 420.627 4.366 50 0 HIAARM CCOc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)ccc1OCc1c(F)cccc1Cl ZINC000004577340 558755913 /nfs/dbraw/zinc/75/59/13/558755913.db2.gz QIENHHMTFBRFLM-MAUKXSAKSA-N -1 0 411.882 4.245 50 0 HIAARM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)o1 ZINC000017017154 558811826 /nfs/dbraw/zinc/81/18/26/558811826.db2.gz NCWOVTYYTJWFLG-ODLFYWEKSA-N -1 0 420.396 4.185 50 0 HIAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)C(C)C)ccc2Cl)cc1 ZINC000017056246 558813378 /nfs/dbraw/zinc/81/33/78/558813378.db2.gz QOQVDXGEAWNRMR-AWEZNQCLSA-N -1 0 424.950 4.314 50 0 HIAARM CCc1ccc(NC(=O)c2c(NC(=O)CCC(=O)[O-])sc3c2CCCC3)cc1 ZINC000017081934 558813785 /nfs/dbraw/zinc/81/37/85/558813785.db2.gz AZHWACHBPZEGSA-UHFFFAOYSA-N -1 0 400.500 4.245 50 0 HIAARM Cc1ccccc1NC(=O)c1c(NC(=O)C[C@@H](C)CC(=O)[O-])sc2c1CCC2 ZINC000017081975 558813962 /nfs/dbraw/zinc/81/39/62/558813962.db2.gz SWWHSYPBNWFZHA-GFCCVEGCSA-N -1 0 400.500 4.237 50 0 HIAARM Cc1sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c(C(N)=O)c1-c1ccc(C)c(C)c1 ZINC000017089218 558817889 /nfs/dbraw/zinc/81/78/89/558817889.db2.gz FWSGCUNFSUMKHZ-HOTGVXAUSA-N -1 0 412.511 4.045 50 0 HIAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1sccc1C(=O)Nc1ccccc1F ZINC000017090609 558819322 /nfs/dbraw/zinc/81/93/22/558819322.db2.gz GWGQFHJNDBPADB-SEDVZULUSA-N -1 0 416.474 4.215 50 0 HIAARM Cc1ccc(NC(=O)c2c3c(sc2NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])CCC3)cc1 ZINC000017093991 558822328 /nfs/dbraw/zinc/82/23/28/558822328.db2.gz ADBCIAIEDYZEHA-HZPDHXFCSA-N -1 0 424.522 4.403 50 0 HIAARM O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccccc1OCc1ccccc1 ZINC000000842299 558835639 /nfs/dbraw/zinc/83/56/39/558835639.db2.gz FVXOJSQMTXOPJQ-DEDYPNTBSA-N -1 0 404.853 4.380 50 0 HIAARM COc1cc(SC)ccc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(C)C)cc1 ZINC000004619076 558865216 /nfs/dbraw/zinc/86/52/16/558865216.db2.gz TYQOXSWVLGDQOC-SFHVURJKSA-N -1 0 403.500 4.150 50 0 HIAARM CN(C(=O)C(=C([O-])c1cc(Cl)ccc1Cl)n1ccccc1=O)C1CCCCC1 ZINC000004682123 558894925 /nfs/dbraw/zinc/89/49/25/558894925.db2.gz QHRTWCDQYWWJQN-IBGZPJMESA-N -1 0 421.324 4.370 50 0 HIAARM COc1cccc([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)[nH]n3)sc2C)c1 ZINC000033173773 558901833 /nfs/dbraw/zinc/90/18/33/558901833.db2.gz FVEZRPJILCCEMG-UHFFFAOYSA-N -1 0 417.434 4.275 50 0 HIAARM Cc1cc(C)cc(S(=O)(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)[O-])c2)c1 ZINC000033253447 558921587 /nfs/dbraw/zinc/92/15/87/558921587.db2.gz ULBDZJVTJVZVFS-UHFFFAOYSA-N -1 0 402.516 4.039 50 0 HIAARM Cc1cc(C)cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N(C)Cc2ccccc2)c1 ZINC000033253918 558921889 /nfs/dbraw/zinc/92/18/89/558921889.db2.gz MFNAXEWCJRIBNY-UHFFFAOYSA-N -1 0 424.522 4.439 50 0 HIAARM CCCN(CCC)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C)c(C)c1 ZINC000033253926 558922245 /nfs/dbraw/zinc/92/22/45/558922245.db2.gz GRNUMCZGANZNQM-UHFFFAOYSA-N -1 0 404.532 4.429 50 0 HIAARM CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)s1 ZINC000033306470 559051699 /nfs/dbraw/zinc/05/16/99/559051699.db2.gz AKTQQBVNOFLGMX-CSKARUKUSA-N -1 0 417.512 4.283 50 0 HIAARM O=C([O-])[C@@H]1ON(c2ccccc2)[C@@H](c2ccccc2)[C@@H]1C(=O)Nc1ccc(F)cc1 ZINC000004770158 559055629 /nfs/dbraw/zinc/05/56/29/559055629.db2.gz ONDFJSDDIDXXQC-PCCBWWKXSA-N -1 0 406.413 4.027 50 0 HIAARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2C(=O)OCC)c1=O ZINC000100670023 559137590 /nfs/dbraw/zinc/13/75/90/559137590.db2.gz NWZBTXDUZFTWDU-UHFFFAOYSA-N -1 0 422.481 4.326 50 0 HIAARM CCOc1cccc(-c2cc(C(=O)[O-])c3nc(-c4ccc(OC)cc4)[nH]c3n2)c1O ZINC000011694753 559188342 /nfs/dbraw/zinc/18/83/42/559188342.db2.gz ZUKXKDUHOVBDGW-UHFFFAOYSA-N -1 0 405.410 4.103 50 0 HIAARM O=C([O-])c1cccc(NC(=S)NN=Cc2ccccc2OCc2ccccc2)c1 ZINC000005130245 559249310 /nfs/dbraw/zinc/24/93/10/559249310.db2.gz YHSVQEPQRYLFDZ-UHFFFAOYSA-N -1 0 405.479 4.284 50 0 HIAARM O=C(Nc1nc2c(cccc2Cl)s1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100752193 559263417 /nfs/dbraw/zinc/26/34/17/559263417.db2.gz MGRYHQRGXKBQTF-UHFFFAOYSA-N -1 0 411.870 4.169 50 0 HIAARM O=C([O-])Cc1ccc(CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC000309593821 560770680 /nfs/dbraw/zinc/77/06/80/560770680.db2.gz QZGHRFIGKSHSLO-UHFFFAOYSA-N -1 0 401.462 4.395 50 0 HIAARM Cc1ccc([C@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccc(C)c(C)c4)cnn32)cc1 ZINC000101298427 560791179 /nfs/dbraw/zinc/79/11/79/560791179.db2.gz ZEYJVFVFCQXMRO-HXUWFJFHSA-N -1 0 402.454 4.044 50 0 HIAARM CC(C)COc1ccc(-c2noc(-c3c([O-])c4ccc(F)cc4n(C)c3=O)n2)cc1 ZINC000101724870 560798643 /nfs/dbraw/zinc/79/86/43/560798643.db2.gz PJVXVWSONUKLQL-UHFFFAOYSA-N -1 0 409.417 4.135 50 0 HIAARM COC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000102634923 560818660 /nfs/dbraw/zinc/81/86/60/560818660.db2.gz RESDFTZCQSNLAP-FVQBIDKESA-N -1 0 413.495 4.292 50 0 HIAARM CCc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@H]2/C=C/c1ccccc1 ZINC000102810646 560829300 /nfs/dbraw/zinc/82/93/00/560829300.db2.gz NJSRQVAQFKKHFV-QFQMRYFISA-N -1 0 414.465 4.346 50 0 HIAARM Cc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@H]2c1ccc(Cl)cc1 ZINC000102901244 560834937 /nfs/dbraw/zinc/83/49/37/560834937.db2.gz WZMOAUFFVBVBDW-SFHVURJKSA-N -1 0 408.845 4.081 50 0 HIAARM Cc1ccc([C@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4cccc(Cl)c4)cnn32)cc1 ZINC000102901470 560834996 /nfs/dbraw/zinc/83/49/96/560834996.db2.gz AZKJXCMTYRGHRO-GOSISDBHSA-N -1 0 408.845 4.081 50 0 HIAARM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1c[nH]c(-c2nnc(-c3ccccc3)o2)c1 ZINC000046914100 560879020 /nfs/dbraw/zinc/87/90/20/560879020.db2.gz LSWVTMHWMCRUMQ-UHFFFAOYSA-N -1 0 414.874 4.494 50 0 HIAARM CCOc1cc(Nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc2)nc(C)n1 ZINC000012226374 560894716 /nfs/dbraw/zinc/89/47/16/560894716.db2.gz LALJOFQQKASSGX-UHFFFAOYSA-N -1 0 420.441 4.006 50 0 HIAARM CCOP(=O)(OCC)/C(=C(/NC(=O)c1ccccc1)C(=O)[O-])c1ccccc1 ZINC000021487026 568463524 /nfs/dbraw/zinc/46/35/24/568463524.db2.gz OMOHSPVJJFWGDX-ISLYRVAYSA-N -1 0 403.371 4.136 50 0 HIAARM CCOc1ccc(NC(=O)[C@H](CC(=O)[O-])Cc2ccc(Br)cc2)cc1 ZINC000000753506 568471630 /nfs/dbraw/zinc/47/16/30/568471630.db2.gz CIWLJFIKROSRJT-AWEZNQCLSA-N -1 0 406.276 4.120 50 0 HIAARM C[C@@]12C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]1C1c3ccccc3C2c2ccccc21 ZINC000000828229 568500224 /nfs/dbraw/zinc/50/02/24/568500224.db2.gz GMZGRRUOIYIHFS-HNFJXWQSSA-N -1 0 409.441 4.172 50 0 HIAARM O=C([O-])c1ccc(N2CCN=C2Sc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000020365392 568601216 /nfs/dbraw/zinc/60/12/16/568601216.db2.gz WMKAPDOXOMFXDG-UHFFFAOYSA-N -1 0 401.797 4.420 50 0 HIAARM Cc1oc(CN(C)C(=O)Cc2csc(-c3ccccc3Cl)n2)cc1C(=O)[O-] ZINC000095425060 568607718 /nfs/dbraw/zinc/60/77/18/568607718.db2.gz JYLWPIBMMZYVDC-UHFFFAOYSA-N -1 0 404.875 4.264 50 0 HIAARM CCCCc1ccc(NS(=O)(=O)c2ccc(Br)cc2C(=O)[O-])cc1 ZINC000095953128 568668050 /nfs/dbraw/zinc/66/80/50/568668050.db2.gz KVXVEQHPKMICRM-UHFFFAOYSA-N -1 0 412.305 4.291 50 0 HIAARM CC(C)(C)c1nnc([N-]S(=O)(=O)c2c(Cl)cccc2Br)s1 ZINC000225753306 568671284 /nfs/dbraw/zinc/67/12/84/568671284.db2.gz WKFQLRASGJOBKY-UHFFFAOYSA-N -1 0 410.746 4.052 50 0 HIAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(-c3onc(C)c3C)sc2C)c1 ZINC000096323540 568732137 /nfs/dbraw/zinc/73/21/37/568732137.db2.gz PZHLIBGLMMRQAT-UHFFFAOYSA-N -1 0 408.501 4.146 50 0 HIAARM CCCOc1ccccc1[C@H]1CC(=O)Nc2nc(SCc3ccccc3)[nH]c(=O)c21 ZINC000086056905 568753787 /nfs/dbraw/zinc/75/37/87/568753787.db2.gz CKZOEFKFRSGLKJ-QGZVFWFLSA-N -1 0 421.522 4.325 50 0 HIAARM CCCCN(CC)c1ccc(NS(=O)(=O)c2cc(F)ccc2C)cc1C(=O)[O-] ZINC000021883415 568758035 /nfs/dbraw/zinc/75/80/35/568758035.db2.gz FFUICHOOMNPWNH-UHFFFAOYSA-N -1 0 408.495 4.260 50 0 HIAARM COc1cc(NC(=O)c2ccc(Cl)cc2)c(Cl)cc1N=Nc1c(C)[n-][nH]c1=O ZINC000096576782 568761310 /nfs/dbraw/zinc/76/13/10/568761310.db2.gz IKGGPBFHAVBSRJ-UHFFFAOYSA-N -1 0 420.256 4.368 50 0 HIAARM O=C([O-])CCC(=O)Nc1ccc(Br)cc1C(=O)c1ccc(Cl)cc1 ZINC000001198798 568823038 /nfs/dbraw/zinc/82/30/38/568823038.db2.gz SKTKFRDMFZDFPH-UHFFFAOYSA-N -1 0 410.651 4.137 50 0 HIAARM O=C([O-])CCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cc2ccccc2nc1Cl ZINC000005904459 568829050 /nfs/dbraw/zinc/82/90/50/568829050.db2.gz RTBLURVBTIUEJX-MRXNPFEDSA-N -1 0 413.886 4.492 50 0 HIAARM CC(C)(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000003204251 568861665 /nfs/dbraw/zinc/86/16/65/568861665.db2.gz NGBCHQLKSYBJES-UHFFFAOYSA-N -1 0 401.315 4.323 50 0 HIAARM COc1cc([N-]S(=O)(=O)c2ccc(Br)c(C)c2)c(OC)cc1Cl ZINC000003388744 568893921 /nfs/dbraw/zinc/89/39/21/568893921.db2.gz HDHNOLIRJZWRGU-UHFFFAOYSA-N -1 0 420.712 4.229 50 0 HIAARM Cc1cc(=O)c(C(=O)[O-])c2n1-c1ccccc1S[C@@H](c1ccc3nccnc3c1)C2 ZINC000299759291 568873070 /nfs/dbraw/zinc/87/30/70/568873070.db2.gz PZHCZSOMZNVDDJ-OAQYLSRUSA-N -1 0 415.474 4.177 50 0 HIAARM CCn1c(=O)c(C(=O)Nc2ccc(C)cc2Br)c([O-])c2ccccc21 ZINC000001253635 568908883 /nfs/dbraw/zinc/90/88/83/568908883.db2.gz QROBLYLPHWPFKT-UHFFFAOYSA-N -1 0 401.260 4.050 50 0 HIAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1cccc(Cl)c1Cl ZINC000012746576 568932754 /nfs/dbraw/zinc/93/27/54/568932754.db2.gz KXXPXGNJZQNVRG-UHFFFAOYSA-N -1 0 408.260 4.491 50 0 HIAARM O=C(Nc1ccccn1)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000012755560 568942952 /nfs/dbraw/zinc/94/29/52/568942952.db2.gz SNSXKKPAUHHUOO-UHFFFAOYSA-N -1 0 421.400 4.154 50 0 HIAARM COc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1COc1cc(C)c(Cl)c(C)c1 ZINC000004204814 568951537 /nfs/dbraw/zinc/95/15/37/568951537.db2.gz WNNKUHGYJPBLCS-QFBILLFUSA-N -1 0 407.919 4.333 50 0 HIAARM CCCc1nnc(SCc2cc3ccc(C)c(C)c3nc2Cl)n1CC(=O)[O-] ZINC000012778967 568956494 /nfs/dbraw/zinc/95/64/94/568956494.db2.gz ZKFVSQXWYPZPNN-UHFFFAOYSA-N -1 0 404.923 4.426 50 0 HIAARM CCc1ccc([C@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)CCCC(=O)[O-])cc1 ZINC000004278781 568958329 /nfs/dbraw/zinc/95/83/29/568958329.db2.gz CTPOOAPQQRFPKX-HXUWFJFHSA-N -1 0 424.497 4.199 50 0 HIAARM CCc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)CCCC(=O)[O-])cc1 ZINC000004278780 568958425 /nfs/dbraw/zinc/95/84/25/568958425.db2.gz CTPOOAPQQRFPKX-FQEVSTJZSA-N -1 0 424.497 4.199 50 0 HIAARM COC(=O)c1c(=O)c2cc(Cl)ccc2[n-]c1SCC(=O)Nc1ccc(F)cc1 ZINC000015731459 568981817 /nfs/dbraw/zinc/98/18/17/568981817.db2.gz SAAAXORZSBSLLA-UHFFFAOYSA-N -1 0 420.849 4.250 50 0 HIAARM CC(=O)c1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000006056236 568989145 /nfs/dbraw/zinc/98/91/45/568989145.db2.gz NMGCWJUWJVCSNJ-UHFFFAOYSA-N -1 0 412.442 4.081 50 0 HIAARM Cc1ccc(-c2csc3[nH]c(Cc4ccc(OCC(=O)[O-])cc4)nc(=O)c23)s1 ZINC000063579426 568990460 /nfs/dbraw/zinc/99/04/60/568990460.db2.gz CQPWOOWAXXPRCE-UHFFFAOYSA-N -1 0 412.492 4.076 50 0 HIAARM Nc1ccc(S(=O)(=O)[N-]c2nccc(/C=C/c3ccc(Cl)cc3Cl)n2)cc1 ZINC000008455763 569004073 /nfs/dbraw/zinc/00/40/73/569004073.db2.gz QXZFOHNXEWEZHY-QHHAFSJGSA-N -1 0 421.309 4.337 50 0 HIAARM NC(=O)c1ccccc1NC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-] ZINC000000641833 569012359 /nfs/dbraw/zinc/01/23/59/569012359.db2.gz OHYWXTGFPCIMMO-UHFFFAOYSA-N -1 0 422.051 4.350 50 0 HIAARM COc1ccc(NC(=O)CC2CCCC2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006178390 569017542 /nfs/dbraw/zinc/01/75/42/569017542.db2.gz YZHBWNQEFOYJIG-UHFFFAOYSA-N -1 0 406.479 4.154 50 0 HIAARM Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000001190370 569034932 /nfs/dbraw/zinc/03/49/32/569034932.db2.gz LHOTVQRZDVRJME-WOJGMQOQSA-N -1 0 403.413 4.477 50 0 HIAARM C=CCN1C(=O)[C@H](Cc2ccccc2Cl)SC1=Nc1ccc(C(=O)[O-])cc1 ZINC000001801319 569053385 /nfs/dbraw/zinc/05/33/85/569053385.db2.gz JAMBIMPRQMBAGU-KRWDZBQOSA-N -1 0 400.887 4.398 50 0 HIAARM C[C@]1(O)CC(=O)C(=C([O-])c2ccccc2)[C@H](c2ccccc2)[C@H]1C(=O)c1ccccc1 ZINC000239173650 569053993 /nfs/dbraw/zinc/05/39/93/569053993.db2.gz OJSKBPPTQMCPPQ-TTZMFTMZSA-N -1 0 412.485 4.492 50 0 HIAARM CCCCOc1ccc(S(=O)(=O)[N-]C(=O)N(C)Cc2cc3ccccc3o2)cc1 ZINC000001887141 569056986 /nfs/dbraw/zinc/05/69/86/569056986.db2.gz DNCXUQKQWPLLFK-UHFFFAOYSA-N -1 0 416.499 4.142 50 0 HIAARM Cc1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000064557735 569066827 /nfs/dbraw/zinc/06/68/27/569066827.db2.gz NTSBYINEGODSKI-FQEVSTJZSA-N -1 0 423.465 4.466 50 0 HIAARM Cc1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(F)cc2)cc1 ZINC000064557790 569066883 /nfs/dbraw/zinc/06/68/83/569066883.db2.gz DYAXEBRHYIKOPD-HXUWFJFHSA-N -1 0 423.465 4.466 50 0 HIAARM CCc1ccc([N-]S(=O)(=O)c2cccnc2Nc2cc(OC)cc(OC)c2)cc1 ZINC000064757587 569091121 /nfs/dbraw/zinc/09/11/21/569091121.db2.gz IYIOSLBUTWSJSX-UHFFFAOYSA-N -1 0 413.499 4.206 50 0 HIAARM COc1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)ccc1O ZINC000064797385 569096561 /nfs/dbraw/zinc/09/65/61/569096561.db2.gz DWNUMWJXCNBFOB-ZDUSSCGKSA-N -1 0 413.426 4.441 50 0 HIAARM COc1cc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)ccc1O ZINC000064797388 569096563 /nfs/dbraw/zinc/09/65/63/569096563.db2.gz DWNUMWJXCNBFOB-CYBMUJFWSA-N -1 0 413.426 4.441 50 0 HIAARM CCCn1nc(C)cc1CN(C)c1ccc(C(=O)[O-])cc1NC(=O)c1ccccc1 ZINC000064820631 569102693 /nfs/dbraw/zinc/10/26/93/569102693.db2.gz JXUNHCUXKKFAJO-UHFFFAOYSA-N -1 0 406.486 4.188 50 0 HIAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2cc(C)no2)cc1 ZINC000064845473 569108111 /nfs/dbraw/zinc/10/81/11/569108111.db2.gz FJFNNIBMKRBHHS-UHFFFAOYSA-N -1 0 420.512 4.306 50 0 HIAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(-c3onc(C)c3C)o2)cc1Cl ZINC000064958506 569135090 /nfs/dbraw/zinc/13/50/90/569135090.db2.gz BRKPDGZCZBHMOV-UHFFFAOYSA-N -1 0 412.851 4.023 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)cc2OC)cc1Cl ZINC000064979479 569140884 /nfs/dbraw/zinc/14/08/84/569140884.db2.gz ANBNUAHADVCVFR-UHFFFAOYSA-N -1 0 408.863 4.121 50 0 HIAARM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(-c3ccno3)cc2OC)c(C)c1 ZINC000064979595 569140955 /nfs/dbraw/zinc/14/09/55/569140955.db2.gz SZWDBFANOCQLFK-UHFFFAOYSA-N -1 0 415.515 4.306 50 0 HIAARM O=C([O-])c1ccc(CNC(=O)Cn2ccc3cc(OCc4ccccc4)ccc32)cc1 ZINC000036353132 569147548 /nfs/dbraw/zinc/14/75/48/569147548.db2.gz KOLNHAWVKBOBQD-UHFFFAOYSA-N -1 0 414.461 4.235 50 0 HIAARM Cc1ncc(-c2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3F)s2)o1 ZINC000065003824 569152126 /nfs/dbraw/zinc/15/21/26/569152126.db2.gz LMPMZJITXWALJO-UHFFFAOYSA-N -1 0 417.281 4.414 50 0 HIAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2onc(C)c2C)ccc1OC ZINC000006887730 569171340 /nfs/dbraw/zinc/17/13/40/569171340.db2.gz HFXOWCOBPLUQFS-UHFFFAOYSA-N -1 0 402.472 4.167 50 0 HIAARM Cc1cccc([N-]S(=O)(=O)c2cc(Br)ccc2Br)c1 ZINC000007052644 569214239 /nfs/dbraw/zinc/21/42/39/569214239.db2.gz BRGYMWKWFNZDDF-UHFFFAOYSA-N -1 0 405.111 4.321 50 0 HIAARM COCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000007505406 569243542 /nfs/dbraw/zinc/24/35/42/569243542.db2.gz PZKXHUWRZZZMRD-UHFFFAOYSA-N -1 0 415.433 4.020 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2C)c1 ZINC000089589226 569261009 /nfs/dbraw/zinc/26/10/09/569261009.db2.gz WINNPGNRTNWUSP-UHFFFAOYSA-N -1 0 414.458 4.196 50 0 HIAARM O=S(=O)([N-]c1nc2ccccc2nc1NC1CCCCC1)c1ccc(F)cc1 ZINC000017252290 569276986 /nfs/dbraw/zinc/27/69/86/569276986.db2.gz ROZSQGHRAZTGLD-UHFFFAOYSA-N -1 0 400.479 4.314 50 0 HIAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccco3)ccc2Cl)c(C)c1 ZINC000006690905 569280006 /nfs/dbraw/zinc/28/00/06/569280006.db2.gz JIOQTHASXXJRMG-UHFFFAOYSA-N -1 0 418.902 4.281 50 0 HIAARM Cc1c(OCc2ccc(Br)cc2)ccc2c(C)c(CC(=O)[O-])c(=O)oc12 ZINC000002092110 569280566 /nfs/dbraw/zinc/28/05/66/569280566.db2.gz QPDQAPCOCPZJEL-UHFFFAOYSA-N -1 0 417.255 4.378 50 0 biogenic HIAARM Cc1c2ccc(OCc3cccc(Br)c3)cc2oc(=O)c1CC(=O)[O-] ZINC000002152206 569290126 /nfs/dbraw/zinc/29/01/26/569290126.db2.gz WCVHCDUYYUSLKK-UHFFFAOYSA-N -1 0 403.228 4.070 50 0 biogenic HIAARM COc1ccc([C@@H](CC(=O)Nc2ccc(F)cc2F)c2c([O-])cc(C)oc2=O)cc1 ZINC000253471251 569381163 /nfs/dbraw/zinc/38/11/63/569381163.db2.gz OLMQMYMMURJBQB-MRXNPFEDSA-N -1 0 415.392 4.101 50 0 HIAARM COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000008699164 569390140 /nfs/dbraw/zinc/39/01/40/569390140.db2.gz BJKZYLDYXMQFKW-JOCHJYFZSA-N -1 0 403.434 4.360 50 0 HIAARM O=c1[nH]c2ccccc2nc1-c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000079068576 569426717 /nfs/dbraw/zinc/42/67/17/569426717.db2.gz AHJOZLDCLABPRV-UHFFFAOYSA-N -1 0 411.870 4.044 50 0 HIAARM CCOc1ccc(CNc2ncccc2S(=O)(=O)[N-]c2ccc(CC)cc2)cc1 ZINC000067244841 571053652 /nfs/dbraw/zinc/05/36/52/571053652.db2.gz OGCHOSNRNIIMAB-UHFFFAOYSA-N -1 0 411.527 4.456 50 0 HIAARM COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000008825234 571122039 /nfs/dbraw/zinc/12/20/39/571122039.db2.gz KQHVYQPDAWUQAS-OLZOCXBDSA-N -1 0 419.886 4.461 50 0 HIAARM O=S(=O)([N-]c1cccc(OCCn2cccn2)c1)c1cc(Cl)ccc1Cl ZINC000040135038 571188094 /nfs/dbraw/zinc/18/80/94/571188094.db2.gz ITXDJKCTTFPRNE-UHFFFAOYSA-N -1 0 412.298 4.070 50 0 HIAARM Cc1ccc2c(c1)N(C)C(=O)c1cc([N-]S(=O)(=O)c3cccs3)ccc1O2 ZINC000008961450 571189776 /nfs/dbraw/zinc/18/97/76/571189776.db2.gz JXGPMEKFNAGTFY-UHFFFAOYSA-N -1 0 400.481 4.240 50 0 HIAARM O=C(Nc1ccc2ccccc2n1)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000040143865 571194469 /nfs/dbraw/zinc/19/44/69/571194469.db2.gz YXQGBDUFNADKJK-UHFFFAOYSA-N -1 0 409.492 4.349 50 0 HIAARM CC(C)CCN1c2cc([N-]S(=O)(=O)c3cccs3)ccc2OCC(C)(C)C1=O ZINC000009174009 571234340 /nfs/dbraw/zinc/23/43/40/571234340.db2.gz MSNKGRLOXFFKJN-UHFFFAOYSA-N -1 0 422.572 4.347 50 0 HIAARM Cc1ccc(CN2C(=O)N/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)C2=O)cc1 ZINC000009320090 571247952 /nfs/dbraw/zinc/24/79/52/571247952.db2.gz VZZWYLZHWJEGPZ-XDHOZWIPSA-N -1 0 402.406 4.046 50 0 HIAARM COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000009646435 571276359 /nfs/dbraw/zinc/27/63/59/571276359.db2.gz IYGZXHNHLFMVQL-UHFFFAOYSA-N -1 0 417.842 4.420 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCCCCCC2)ccc1C ZINC000009903132 571289895 /nfs/dbraw/zinc/28/98/95/571289895.db2.gz XPWPTZRGFLWIJQ-UHFFFAOYSA-N -1 0 416.543 4.211 50 0 HIAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2ccc(NC(C)=O)cc2)C1 ZINC000006561184 845210370 /nfs/dbraw/zinc/21/03/70/845210370.db2.gz XWZVQBHZDRQHMD-SFQUDFHCSA-N -1 0 401.466 4.268 50 0 HIAARM Cn1nccc1/C=C1\CN(Cc2ccccc2)Cc2c1nc1ccccc1c2C(=O)[O-] ZINC000031823922 847956723 /nfs/dbraw/zinc/95/67/23/847956723.db2.gz XDHDJCMFNPAOOD-QGOAFFKASA-N -1 0 410.477 4.223 50 0 HIAARM O=C([O-])c1ccc2c(=O)[nH]c(C(Cl)=Cc3ccc(Cl)c([N+](=O)[O-])c3)nc2c1 ZINC000096759348 852555035 /nfs/dbraw/zinc/55/50/35/852555035.db2.gz OQOYOSSSZYITAX-LFYBBSHMSA-N -1 0 406.181 4.332 50 0 HIAARM COc1ccc(Br)cc1/C=C\C(=O)c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000096765675 852555325 /nfs/dbraw/zinc/55/53/25/852555325.db2.gz YJKNVGADFDILFT-DJTUGOFGSA-N -1 0 405.244 4.206 50 0 HIAARM O=C([O-])c1cc(NCc2cccc(OCc3ccccc3)c2)ccc1N1CCOCC1 ZINC000004703560 132283868 /nfs/dbraw/zinc/28/38/68/132283868.db2.gz AWRUFHRAKRORRT-UHFFFAOYSA-N -1 0 418.493 4.413 50 0 HIAARM O=C(c1cccs1)N1CCCc2cc([N-]S(=O)(=O)c3ccccc3F)ccc21 ZINC000005099623 132301093 /nfs/dbraw/zinc/30/10/93/132301093.db2.gz ZFQZYXCKOSLTPN-UHFFFAOYSA-N -1 0 416.499 4.281 50 0 HIAARM O=C(c1ccco1)N1CCCc2cc([N-]S(=O)(=O)c3ccccc3Cl)ccc21 ZINC000005099606 132301198 /nfs/dbraw/zinc/30/11/98/132301198.db2.gz PVSXGVLADNFILM-UHFFFAOYSA-N -1 0 416.886 4.327 50 0 HIAARM CCCCC(=O)Nc1ccc(N2CCN(c3ccc(C(C)=O)cc3)CC2)cc1C(=O)[O-] ZINC000045967687 519915000 /nfs/dbraw/zinc/91/50/00/519915000.db2.gz YJGCIPIUBPKQMY-UHFFFAOYSA-N -1 0 423.513 4.043 50 0 HIAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc3c(c2)C(=C(C)C)C(=O)N3)c1 ZINC000020577968 521170192 /nfs/dbraw/zinc/17/01/92/521170192.db2.gz LDTVMWCREOJJGF-UHFFFAOYSA-N -1 0 416.499 4.030 50 0 HIAARM Cc1cc(F)ccc1NC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000031906657 524988848 /nfs/dbraw/zinc/98/88/48/524988848.db2.gz GBEBNZKTGTWJAQ-UHFFFAOYSA-N -1 0 404.488 4.178 50 0 HIAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@]21C(=O)Nc2ccccc21 ZINC000032088734 526411946 /nfs/dbraw/zinc/41/19/46/526411946.db2.gz CVKXLOLGJVEONY-OAQYLSRUSA-N -1 0 408.410 4.482 50 0 HIAARM O=C([O-])c1sc2c(c1-c1ccc(F)cc1)NC(=O)C[C@@]21C(=O)Nc2ccccc21 ZINC000032088731 526411976 /nfs/dbraw/zinc/41/19/76/526411976.db2.gz CVKXLOLGJVEONY-NRFANRHFSA-N -1 0 408.410 4.482 50 0 HIAARM O=C(c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1F)N1CCCC1 ZINC000032932337 526610915 /nfs/dbraw/zinc/61/09/15/526610915.db2.gz WSBXFPBHLUUZMH-UHFFFAOYSA-N -1 0 417.289 4.169 50 0 HIAARM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C(=O)c3cccs3)cc2)c1 ZINC000000645824 557035605 /nfs/dbraw/zinc/03/56/05/557035605.db2.gz MFDDBQMTPPONPY-UHFFFAOYSA-N -1 0 401.509 4.351 50 0 HIAARM CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]12 ZINC000000716238 557067901 /nfs/dbraw/zinc/06/79/01/557067901.db2.gz BRUIHGLXIKKXJN-AZZUFQGZSA-N -1 0 423.468 4.130 50 0 HIAARM O=C([O-])CCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCC2 ZINC000000722401 557071184 /nfs/dbraw/zinc/07/11/84/557071184.db2.gz XKYNGZKYHVTNSW-UHFFFAOYSA-N -1 0 406.891 4.336 50 0 HIAARM CCOc1ccc(NC(=O)c2c(NC(=O)CCC(=O)[O-])sc3c2CCCC3)cc1 ZINC000000722398 557071195 /nfs/dbraw/zinc/07/11/95/557071195.db2.gz DQPZHGZXGGXYHU-UHFFFAOYSA-N -1 0 416.499 4.081 50 0 HIAARM O=C([O-])c1cccc(NC2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000000726261 557073334 /nfs/dbraw/zinc/07/33/34/557073334.db2.gz JKUVSDOMBNXCBH-UHFFFAOYSA-N -1 0 411.628 4.127 50 0 HIAARM Cc1nc2sc([C@@H](c3cccc(C)c3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000022626873 557107955 /nfs/dbraw/zinc/10/79/55/557107955.db2.gz LNMVDRXATFWHLD-HXUWFJFHSA-N -1 0 419.554 4.025 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2C)ccc1C ZINC000000888067 557111633 /nfs/dbraw/zinc/11/16/33/557111633.db2.gz ZAWLWMSBOICRTE-UHFFFAOYSA-N -1 0 410.495 4.365 50 0 HIAARM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)ccc1Cl ZINC000001118321 557189041 /nfs/dbraw/zinc/18/90/41/557189041.db2.gz VPOJAPFDUWQEGH-UHFFFAOYSA-N -1 0 424.689 4.243 50 0 HIAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)OCC2c3ccccc3-c3ccccc32)cn1 ZINC000002529280 557354654 /nfs/dbraw/zinc/35/46/54/557354654.db2.gz XSOWGPXMQMVHDC-NRFANRHFSA-N -1 0 418.449 4.145 50 0 HIAARM C[C@H](Sc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)C(=O)[O-] ZINC000002860941 557410050 /nfs/dbraw/zinc/41/00/50/557410050.db2.gz MVGORGSLALRDDL-NSHDSACASA-N -1 0 404.289 4.262 50 0 HIAARM O=C([O-])CSc1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1 ZINC000003256215 557465097 /nfs/dbraw/zinc/46/50/97/557465097.db2.gz KQXGIPUHEMMTQT-UHFFFAOYSA-N -1 0 414.537 4.346 50 0 HIAARM COC(=O)c1c(-c2cc(C)ccc2C)csc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000003864131 557501545 /nfs/dbraw/zinc/50/15/45/557501545.db2.gz JZLQLDFYODLNLD-HUUCEWRRSA-N -1 0 413.495 4.424 50 0 HIAARM CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccccc1 ZINC000003991747 557504267 /nfs/dbraw/zinc/50/42/67/557504267.db2.gz KPAXKGPTBFIOJF-QGZVFWFLSA-N -1 0 401.513 4.076 50 0 HIAARM O=C([O-])[C@@H]1Cc2ccc(O)cc2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000004202612 557528656 /nfs/dbraw/zinc/52/86/56/557528656.db2.gz ZBLZSUJEVZOPJV-QHCPKHFHSA-N -1 0 415.445 4.153 50 0 HIAARM O=C([O-])c1cc(Br)ccc1NC(=O)COc1cccc2ccccc21 ZINC000004825719 557603565 /nfs/dbraw/zinc/60/35/65/557603565.db2.gz YDHNKDJEBXSSDH-UHFFFAOYSA-N -1 0 400.228 4.318 50 0 HIAARM CC(C)N(CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])C(=O)OCc1ccccc1 ZINC000004899649 557611200 /nfs/dbraw/zinc/61/12/00/557611200.db2.gz SCMKUYJJYHUAJP-SFHVURJKSA-N -1 0 422.522 4.182 50 0 HIAARM Cc1cccc(C)c1OCC(=O)Nc1ccccc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000004913514 557613258 /nfs/dbraw/zinc/61/32/58/557613258.db2.gz CRLRJFMZRYHFDN-UHFFFAOYSA-N -1 0 418.449 4.271 50 0 HIAARM CCOC(=O)c1c(-c2ccc(OCC)cc2)csc1NC(=O)CCCC(=O)[O-] ZINC000002759028 557758227 /nfs/dbraw/zinc/75/82/27/557758227.db2.gz CQMGLTULVGZZIY-UHFFFAOYSA-N -1 0 405.472 4.184 50 0 HIAARM CC(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(/C=C/c3ccccc3)n2)cc1 ZINC000008683459 557799937 /nfs/dbraw/zinc/79/99/37/557799937.db2.gz GLMUXGPQQKCQOQ-CMDGGOBGSA-N -1 0 422.510 4.042 50 0 HIAARM O=C1[N-]C(=O)/C(=C/c2ccc(OCc3cccc4ccccc43)c(Br)c2)N1 ZINC000009311700 557836393 /nfs/dbraw/zinc/83/63/93/557836393.db2.gz PQDQINKXJZENLB-WQRHYEAKSA-N -1 0 423.266 4.362 50 0 HIAARM O=C([O-])c1cc(-c2cccc(O)c2)nc2n[nH]c(-c3ccc(Br)cc3)c21 ZINC000020492231 558378445 /nfs/dbraw/zinc/37/84/45/558378445.db2.gz SFJRDJPMMFDVPY-UHFFFAOYSA-N -1 0 410.227 4.458 50 0 HIAARM O=C1NC(c2ccccc2)=N[C@]1([N-]c1ncc(C(F)(F)F)cc1Cl)C(F)(F)F ZINC000012376074 558391829 /nfs/dbraw/zinc/39/18/29/558391829.db2.gz ICUAIUACARGJDZ-CQSZACIVSA-N -1 0 422.716 4.001 50 0 HIAARM CC[C@@H](NC(=O)CCn1c(=O)c2ccc(Cl)cc2[n-]c1=S)c1ccc(C)cc1 ZINC000012793282 558466881 /nfs/dbraw/zinc/46/68/81/558466881.db2.gz YWZWIERIQCEQES-QGZVFWFLSA-N -1 0 415.946 4.305 50 0 HIAARM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)o1 ZINC000013546657 558538128 /nfs/dbraw/zinc/53/81/28/558538128.db2.gz ZCLCEOWKKQHMNP-YBFXNURJSA-N -1 0 420.396 4.185 50 0 HIAARM CCCCc1c([O-])nc(SCC(=O)c2ccccc2)n(-c2ccccc2OC)c1=O ZINC000013635567 558553826 /nfs/dbraw/zinc/55/38/26/558553826.db2.gz KWMWXCPLFHNEQT-UHFFFAOYSA-N -1 0 424.522 4.264 50 0 HIAARM COc1cc(F)c(S(=O)(=O)[N-]c2cccc(C3SCCS3)c2)cc1OC ZINC000026535061 558662694 /nfs/dbraw/zinc/66/26/94/558662694.db2.gz OFFSLTJBDMLFDN-UHFFFAOYSA-N -1 0 415.533 4.122 50 0 HIAARM CCNc1ccc(C(=O)OCC)cc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000029433666 558715202 /nfs/dbraw/zinc/71/52/02/558715202.db2.gz DNWRDIQDEUBQOM-UHFFFAOYSA-N -1 0 423.343 4.464 50 0 HIAARM O=C([N-][C@]1(C(F)(F)F)c2cccc3c2N(C1=O)c1ccccc1S3)C(F)(F)F ZINC000003103060 558749842 /nfs/dbraw/zinc/74/98/42/558749842.db2.gz FKRFVPTXTDXRNE-OAHLLOKOSA-N -1 0 418.318 4.266 50 0 HIAARM O=C([O-])c1ccc(NC(=O)/C(=C\C=C\c2ccccc2)NC(=O)c2ccccc2)cc1 ZINC000015746759 558751636 /nfs/dbraw/zinc/75/16/36/558751636.db2.gz XYOSRJOOONDNKR-QNUVFLEMSA-N -1 0 412.445 4.351 50 0 HIAARM COc1cc(OC)c([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1Cl ZINC000022958106 558753295 /nfs/dbraw/zinc/75/32/95/558753295.db2.gz ABRBVDBWEVSGNP-UHFFFAOYSA-N -1 0 411.785 4.057 50 0 HIAARM O=C(NC1CCCCC1)C1(c2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)CC1 ZINC000033274817 558764597 /nfs/dbraw/zinc/76/45/97/558764597.db2.gz NBWXIHUQHMCITL-UHFFFAOYSA-N -1 0 416.518 4.107 50 0 HIAARM Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(N)cc2)cc1 ZINC000000754361 558774286 /nfs/dbraw/zinc/77/42/86/558774286.db2.gz WHUVAJFXXFPQAJ-UHFFFAOYSA-N -1 0 405.483 4.065 50 0 HIAARM Cc1sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c(C(=O)NC2CCCCC2)c1C ZINC000017082915 558815376 /nfs/dbraw/zinc/81/53/76/558815376.db2.gz FWNTWITZXKBSSG-HOTGVXAUSA-N -1 0 404.532 4.033 50 0 HIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccccc3Cl)cc2)no1 ZINC000017087523 558816501 /nfs/dbraw/zinc/81/65/01/558816501.db2.gz HZZIBVXNDGCVNB-UHFFFAOYSA-N -1 0 406.851 4.081 50 0 HIAARM Cc1sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c(C(N)=O)c1-c1ccc(C)c(C)c1 ZINC000017089219 558817891 /nfs/dbraw/zinc/81/78/91/558817891.db2.gz FWSGCUNFSUMKHZ-HZPDHXFCSA-N -1 0 412.511 4.045 50 0 HIAARM O=S(=O)([N-]c1cnn(Cc2ccc(Cl)cc2Cl)c1)c1ccc(F)c(F)c1 ZINC000017091320 558819852 /nfs/dbraw/zinc/81/98/52/558819852.db2.gz TVIMVZZQYYKZOE-UHFFFAOYSA-N -1 0 418.252 4.317 50 0 HIAARM CCc1c(C)sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1C(=O)NC1CCCCC1 ZINC000017091517 558820095 /nfs/dbraw/zinc/82/00/95/558820095.db2.gz GWDYEEJGOODYMP-DLBZAZTESA-N -1 0 418.559 4.287 50 0 HIAARM Cc1n[n-]c2nc3nc4c(c(-c5ccc(Cl)cc5)c3c(=O)n12)CCc1ccccc1-4 ZINC000017117752 558822942 /nfs/dbraw/zinc/82/29/42/558822942.db2.gz SPUQGXMSKFISDJ-UHFFFAOYSA-N -1 0 413.868 4.360 50 0 HIAARM Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCCCCC3)cc2C(=O)[O-])cc1C ZINC000033007408 558827974 /nfs/dbraw/zinc/82/79/74/558827974.db2.gz FGIGDIMELNCVFN-UHFFFAOYSA-N -1 0 416.543 4.491 50 0 HIAARM CC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2C)s1 ZINC000033007775 558828709 /nfs/dbraw/zinc/82/87/09/558828709.db2.gz AXCDSXXZCZMPBK-UHFFFAOYSA-N -1 0 401.922 4.079 50 0 HIAARM CC(C)C(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc(Cl)s3)ccc2s1 ZINC000033116469 558877694 /nfs/dbraw/zinc/87/76/94/558877694.db2.gz HTGHSBOCXXFIKY-UHFFFAOYSA-N -1 0 415.949 4.407 50 0 HIAARM CCCOC(c1ccccc1)(c1ccccc1)[C@@H](Oc1nc(C)cc(C)n1)C(=O)[O-] ZINC000004675136 558886794 /nfs/dbraw/zinc/88/67/94/558886794.db2.gz LMSCMWYTEZPVOK-NRFANRHFSA-N -1 0 406.482 4.296 50 0 HIAARM COc1cccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c1 ZINC000095748940 560558558 /nfs/dbraw/zinc/55/85/58/560558558.db2.gz IFSIJILABHCANV-JOCHJYFZSA-N -1 0 403.434 4.360 50 0 HIAARM CCOC(=O)C1=C(C)N(c2ccc(C(=O)[O-])cc2)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000003418669 560594373 /nfs/dbraw/zinc/59/43/73/560594373.db2.gz XQRMKFFFMUVHFC-GOSISDBHSA-N -1 0 414.845 4.146 50 0 HIAARM CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCCC3)ccc2OC)cc1 ZINC000005602334 560629126 /nfs/dbraw/zinc/62/91/26/560629126.db2.gz WPCLVDBSILSBFH-UHFFFAOYSA-N -1 0 416.543 4.075 50 0 HIAARM Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCc2ccccc2)c1 ZINC000017249106 560704994 /nfs/dbraw/zinc/70/49/94/560704994.db2.gz WCXOVHLMKNRSCU-UHFFFAOYSA-N -1 0 404.495 4.351 50 0 HIAARM O=C([O-])CCN(Cc1cccnc1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000309574848 560770479 /nfs/dbraw/zinc/77/04/79/560770479.db2.gz IJHOKTPTSOQINA-UHFFFAOYSA-N -1 0 402.450 4.307 50 0 HIAARM CN(Cc1ccc2ccccc2c1)C(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000018123828 560778256 /nfs/dbraw/zinc/77/82/56/560778256.db2.gz JAQLREXINBHUBX-UHFFFAOYSA-N -1 0 403.507 4.261 50 0 HIAARM Cc1ccc(Sc2[n-]n3c(nc(C)cc3=O)c2NC(=O)c2ccc(C)cc2)cc1 ZINC000101411593 560794419 /nfs/dbraw/zinc/79/44/19/560794419.db2.gz JHMFCVXQOURQLE-UHFFFAOYSA-N -1 0 404.495 4.351 50 0 HIAARM COc1cccc(NC(=O)Cc2c(C)[n-]n(-c3nc(-c4ccccc4)cs3)c2=O)c1 ZINC000101505427 560796687 /nfs/dbraw/zinc/79/66/87/560796687.db2.gz RUVIORLJZFRRKZ-UHFFFAOYSA-N -1 0 420.494 4.200 50 0 HIAARM CCCNC(=O)c1sc(-n2[n-]c(C)c(Cc3ccc(Cl)cc3)c2=O)nc1C ZINC000101832475 560802963 /nfs/dbraw/zinc/80/29/63/560802963.db2.gz ZWSMXYMALRCSCH-UHFFFAOYSA-N -1 0 404.923 4.035 50 0 HIAARM Cc1nc(-n2[n-]c(C)c(Cc3ccc(Cl)cc3)c2=O)sc1C(=O)NC(C)C ZINC000101832481 560803013 /nfs/dbraw/zinc/80/30/13/560803013.db2.gz ZGWMEOZMFXRREF-UHFFFAOYSA-N -1 0 404.923 4.034 50 0 HIAARM O=C([O-])c1cc(Br)cc(Br)c1NC(=O)c1ccc(F)cc1 ZINC000016401053 560860500 /nfs/dbraw/zinc/86/05/00/560860500.db2.gz KHPGWSLSLQPXHZ-UHFFFAOYSA-N -1 0 417.028 4.301 50 0 HIAARM COc1ccc(C2C(=O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(C(=O)[O-])cc2)cc1 ZINC000045941925 568422198 /nfs/dbraw/zinc/42/21/98/568422198.db2.gz RPOZMKGAFFBBEP-QFIPXVFZSA-N -1 0 415.445 4.446 50 0 HIAARM CCOc1ccccc1NC(=O)c1c([O-])c2sccc2n(Cc2ccccc2)c1=O ZINC000049409600 568449700 /nfs/dbraw/zinc/44/97/00/568449700.db2.gz KOVJKLFRVHSCCS-UHFFFAOYSA-N -1 0 420.490 4.468 50 0 HIAARM COc1cc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(Cl)cc4)c32)ccc1O ZINC000049543853 568451179 /nfs/dbraw/zinc/45/11/79/568451179.db2.gz UOMOSEHGLOLNCP-CQSZACIVSA-N -1 0 412.829 4.017 50 0 HIAARM CCOc1cc2c(cc1OCC)[C@H](CC(=O)[O-])N(C(=O)Nc1ccc(C)cc1)CC2 ZINC000020515425 568622879 /nfs/dbraw/zinc/62/28/79/568622879.db2.gz PZXKSHGLUANCBY-IBGZPJMESA-N -1 0 412.486 4.398 50 0 HIAARM Cc1[nH]nc(-c2ccc(S(=O)(=O)[N-]c3cccc(-c4ccno4)c3)s2)c1C ZINC000020991988 568656076 /nfs/dbraw/zinc/65/60/76/568656076.db2.gz SPPGNBNVVAXJQQ-UHFFFAOYSA-N -1 0 400.485 4.211 50 0 HIAARM O=S(=O)([N-]c1ncc(-c2cncc(F)c2)cn1)c1ccc(Cl)c2ccccc21 ZINC000225743895 568670511 /nfs/dbraw/zinc/67/05/11/568670511.db2.gz DYCVQXGZTLBFFG-UHFFFAOYSA-N -1 0 414.849 4.285 50 0 HIAARM CCOc1ccccc1NC(=O)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O ZINC000012416046 568718026 /nfs/dbraw/zinc/71/80/26/568718026.db2.gz DIUFTIFRDOYKRA-UHFFFAOYSA-N -1 0 400.434 4.347 50 0 HIAARM O=C(C=Cc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000096291740 568720851 /nfs/dbraw/zinc/72/08/51/568720851.db2.gz XZQUQTDOWFBSAK-WAPJZHGLSA-N -1 0 409.751 4.354 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3onc(C)c3C)sc2C)c(OC)c1 ZINC000096323506 568732213 /nfs/dbraw/zinc/73/22/13/568732213.db2.gz XJWIEHLPLLQBBL-UHFFFAOYSA-N -1 0 408.501 4.146 50 0 HIAARM O=C(CN1C(=O)S/C(=C/c2cc(Cl)c([O-])c(Cl)c2)C1=O)Nc1ccccc1 ZINC000015008513 568736063 /nfs/dbraw/zinc/73/60/63/568736063.db2.gz QYFMEUHOMMYRBU-RIYZIHGNSA-N -1 0 423.277 4.374 50 0 HIAARM Cc1[nH]c(-c2nnc(C3CCC3)o2)c(C)c1S(=O)(=O)[N-]c1cccc(C)c1C ZINC000096379514 568741011 /nfs/dbraw/zinc/74/10/11/568741011.db2.gz AUPGGNKXNQECKG-UHFFFAOYSA-N -1 0 400.504 4.367 50 0 HIAARM CSc1cccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2-c2nnc(C3CC3)o2)c1 ZINC000096379648 568741250 /nfs/dbraw/zinc/74/12/50/568741250.db2.gz QAELOSRLNSBAFB-UHFFFAOYSA-N -1 0 404.517 4.082 50 0 HIAARM CSc1ccccc1[N-]S(=O)(=O)c1c(C)[nH]c(C)c1-c1nnc(C2CCC2)o1 ZINC000096379730 568741336 /nfs/dbraw/zinc/74/13/36/568741336.db2.gz JJMHNRKHNIPNDJ-UHFFFAOYSA-N -1 0 418.544 4.472 50 0 HIAARM CCOc1ccc2nc([N-]C(NC(=O)CC)(C(F)(F)F)C(F)(F)F)sc2c1 ZINC000001066232 568766589 /nfs/dbraw/zinc/76/65/89/568766589.db2.gz KIYDRGAZBJZMJI-UHFFFAOYSA-N -1 0 415.359 4.454 50 0 HIAARM O=C([O-])[C@@H]1CC(=O)N(Cc2ccccc2)C(=Nc2ccc(OC(F)(F)F)cc2)S1 ZINC000001066222 568766610 /nfs/dbraw/zinc/76/66/10/568766610.db2.gz WNDPOWHXYVZJNT-HNNXBMFYSA-N -1 0 424.400 4.192 50 0 HIAARM CCCC[C@@H](CC)CNC(=O)C(=C([O-])c1ccc(F)cc1)n1cc(Cl)ccc1=O ZINC000012468755 568838319 /nfs/dbraw/zinc/83/83/19/568838319.db2.gz SRECJNSQUAANKU-QRWLVFNGSA-N -1 0 420.912 4.397 50 0 HIAARM COCCCn1c(=O)c2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2[n-]c1=S ZINC000012514172 568840448 /nfs/dbraw/zinc/84/04/48/568840448.db2.gz UYPXXAXOLUGRLI-UHFFFAOYSA-N -1 0 411.527 4.471 50 0 HIAARM O=C(c1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCCCC1 ZINC000012557220 568856108 /nfs/dbraw/zinc/85/61/08/568856108.db2.gz OGPGELRYPVTGEK-UHFFFAOYSA-N -1 0 413.326 4.420 50 0 HIAARM CC(C)(C)O[C@H]1C[C@@H](C(=O)[O-])N(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000000621980 568929976 /nfs/dbraw/zinc/92/99/76/568929976.db2.gz WPBXBYOKQUEIDW-BTYIYWSLSA-N -1 0 409.482 4.278 50 0 HIAARM O=C([O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc2c(c1)OCO2 ZINC000095748992 568936243 /nfs/dbraw/zinc/93/62/43/568936243.db2.gz RRMFGUXVVCDQAE-JOCHJYFZSA-N -1 0 417.417 4.080 50 0 HIAARM Cc1nc(-n2[n-]c(C)c(Cc3ccccc3)c2=O)sc1C(=O)Nc1ccccc1 ZINC000015671496 568962083 /nfs/dbraw/zinc/96/20/83/568962083.db2.gz YXPKNFULLLRXHW-UHFFFAOYSA-N -1 0 404.495 4.494 50 0 HIAARM CC(C)Cn1c(SCc2nc(=O)c3sccc3[n-]2)nnc1-c1ccccc1F ZINC000007986062 568964647 /nfs/dbraw/zinc/96/46/47/568964647.db2.gz HOLZDSDOMFHOPM-UHFFFAOYSA-N -1 0 415.519 4.331 50 0 HIAARM CCOc1cc2c(cc1OCC)[C@@H](CC(=O)[O-])N(C(=O)Nc1ccccc1F)CC2 ZINC000015781896 569002847 /nfs/dbraw/zinc/00/28/47/569002847.db2.gz TZWITLNJRJGFTH-GOSISDBHSA-N -1 0 416.449 4.229 50 0 HIAARM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)c1 ZINC000085664720 569006647 /nfs/dbraw/zinc/00/66/47/569006647.db2.gz NOIINUZOIZULQU-UHFFFAOYSA-N -1 0 415.418 4.160 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2-n2cnc3ccccc32)cc1 ZINC000006146733 569014513 /nfs/dbraw/zinc/01/45/13/569014513.db2.gz UWFIHGUJDRNCAN-UHFFFAOYSA-N -1 0 415.478 4.078 50 0 HIAARM CCC(CC)C(=O)Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000015862096 569015676 /nfs/dbraw/zinc/01/56/76/569015676.db2.gz KHGMNQJVFYJQNE-UHFFFAOYSA-N -1 0 403.529 4.472 50 0 HIAARM O=S(=O)([N-]c1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)c1ccccc1F ZINC000012910400 569021486 /nfs/dbraw/zinc/02/14/86/569021486.db2.gz OZWGCRUCALXOTF-UHFFFAOYSA-N -1 0 420.897 4.265 50 0 HIAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCc3ccccc32)cc1 ZINC000006267849 569036253 /nfs/dbraw/zinc/03/62/53/569036253.db2.gz XCXNZVGBEKNMLC-UHFFFAOYSA-N -1 0 422.506 4.089 50 0 HIAARM CCOc1ccc(-c2nc(CSc3nc(C(F)(F)F)cc(=O)[nH]3)c(C)o2)cc1 ZINC000035480775 569039348 /nfs/dbraw/zinc/03/93/48/569039348.db2.gz YUKZOJLDURFJBG-UHFFFAOYSA-N -1 0 411.405 4.443 50 0 HIAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccc(-c2ccccc2)cc1 ZINC000001792767 569053212 /nfs/dbraw/zinc/05/32/12/569053212.db2.gz ASCUVPMVRVOQHF-HSZRJFAPSA-N -1 0 414.461 4.026 50 0 HIAARM CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000239308838 569054133 /nfs/dbraw/zinc/05/41/33/569054133.db2.gz GZMWRCRHFBWVNU-HZSPNIEDSA-N -1 0 420.575 4.218 50 0 HIAARM C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3C(=O)C[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@@]21C ZINC000253497490 569058261 /nfs/dbraw/zinc/05/82/61/569058261.db2.gz OHXPGWPVLFPUSM-ILGBNLCKSA-N -1 0 402.531 4.073 50 0 in-vitro HIAARM COc1ccc(NC(=O)Nc2ccccc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006507393 569061791 /nfs/dbraw/zinc/06/17/91/569061791.db2.gz UGSBWNBMBAGCSI-UHFFFAOYSA-N -1 0 415.446 4.279 50 0 HIAARM O=C([O-])c1cc(N2CCCCC2)ccc1NC(=O)c1ccc(Br)cc1 ZINC000064589042 569068971 /nfs/dbraw/zinc/06/89/71/569068971.db2.gz DJOLCHKEVIKBOO-UHFFFAOYSA-N -1 0 403.276 4.390 50 0 HIAARM CC(C)CC(=O)Nc1ccc(N2CCN(c3ccccc3Cl)CC2)cc1C(=O)[O-] ZINC000064589805 569069024 /nfs/dbraw/zinc/06/90/24/569069024.db2.gz PEMWEEHLJXWAKT-UHFFFAOYSA-N -1 0 415.921 4.349 50 0 HIAARM Cc1cccc(N2CCN(c3ccc(NC(=O)C(C)(C)C)c(C(=O)[O-])c3)CC2)c1C ZINC000064589952 569069121 /nfs/dbraw/zinc/06/91/21/569069121.db2.gz ZSJUVADRCZXZLN-UHFFFAOYSA-N -1 0 409.530 4.313 50 0 HIAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2ccc4c(c2)OCO4)CC(=O)N3)cc1 ZINC000064797092 569096901 /nfs/dbraw/zinc/09/69/01/569096901.db2.gz VHFKJOFWLQRUPC-CQSZACIVSA-N -1 0 423.446 4.325 50 0 HIAARM Cc1ncc(-c2ccc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)s2)o1 ZINC000065003939 569152328 /nfs/dbraw/zinc/15/23/28/569152328.db2.gz KLGASWBXFOCOEU-UHFFFAOYSA-N -1 0 404.391 4.411 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)s2)c(OC)c1 ZINC000065003994 569152269 /nfs/dbraw/zinc/15/22/69/569152269.db2.gz OIJKRSIZFFZDNR-UHFFFAOYSA-N -1 0 406.485 4.099 50 0 HIAARM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)cc1 ZINC000065009751 569153416 /nfs/dbraw/zinc/15/34/16/569153416.db2.gz SYECUUYFNOLPJQ-UHFFFAOYSA-N -1 0 403.485 4.069 50 0 HIAARM COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)[N-]c1cccc(SC)c1 ZINC000006887723 569171347 /nfs/dbraw/zinc/17/13/47/569171347.db2.gz CKPADVCTADPLMW-UHFFFAOYSA-N -1 0 404.513 4.490 50 0 HIAARM C[C@H]1CCc2c(sc3[nH]c(=O)c(C(=O)Nc4cccc(Cl)c4F)c([O-])c23)C1 ZINC000065150527 569184966 /nfs/dbraw/zinc/18/49/66/569184966.db2.gz UTZQLVZZNRWRTB-QMMMGPOBSA-N -1 0 406.866 4.465 50 0 HIAARM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000065478668 569231601 /nfs/dbraw/zinc/23/16/01/569231601.db2.gz XQBBJBYAHJTVCT-SECBINFHSA-N -1 0 408.310 4.352 50 0 HIAARM Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@@H](NC(=O)[C@@H]1CC=CCC1)C(=O)[O-] ZINC000170592080 569240995 /nfs/dbraw/zinc/24/09/95/569240995.db2.gz QIQHFQJDZDQVRG-RDTXWAMCSA-N -1 0 421.419 4.106 50 0 HIAARM COc1cc(F)c(S(=O)(=O)[N-]c2nc(C)sc2-c2ccccc2)cc1OC ZINC000170595639 569241683 /nfs/dbraw/zinc/24/16/83/569241683.db2.gz MTQUZIXCCGWTGZ-UHFFFAOYSA-N -1 0 408.476 4.076 50 0 HIAARM Cc1ccc(NC(=O)c2c(NC(=O)CCC(=O)[O-])sc3c2CC[C@@H](C)C3)cc1 ZINC000004590223 569255536 /nfs/dbraw/zinc/25/55/36/569255536.db2.gz ZLSPPEQDOMNSIA-CYBMUJFWSA-N -1 0 400.500 4.237 50 0 HIAARM O=C(c1cccs1)N1CCc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc21 ZINC000013696231 569257099 /nfs/dbraw/zinc/25/70/99/569257099.db2.gz GICDUMDGRRYABO-UHFFFAOYSA-N -1 0 424.956 4.467 50 0 HIAARM CC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccccc1)C(=O)[O-] ZINC000002098434 569281172 /nfs/dbraw/zinc/28/11/72/569281172.db2.gz IIGBMBFMCKGEBU-LJQANCHMSA-N -1 0 419.433 4.037 50 0 biogenic HIAARM O=C([O-])[C@@H](Cc1ccc(F)cc1F)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000016082881 569284841 /nfs/dbraw/zinc/28/48/41/569284841.db2.gz QFBGJWYZYONGDV-JOCHJYFZSA-N -1 0 423.415 4.499 50 0 HIAARM CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000005556036 569356883 /nfs/dbraw/zinc/35/68/83/569356883.db2.gz GZMWRCRHFBWVNU-MGPQQGTHSA-N -1 0 420.575 4.218 50 0 HIAARM COc1ccc([C@H](CC(=O)Nc2ccc(F)cc2F)c2c([O-])cc(C)oc2=O)cc1 ZINC000253471248 569381166 /nfs/dbraw/zinc/38/11/66/569381166.db2.gz OLMQMYMMURJBQB-INIZCTEOSA-N -1 0 415.392 4.101 50 0 HIAARM O=C(c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)N1CCCCC1 ZINC000013040060 569407815 /nfs/dbraw/zinc/40/78/15/569407815.db2.gz SUNQEWYDYGTFCT-UHFFFAOYSA-N -1 0 412.433 4.132 50 0 HIAARM CSc1cccc(NC(=O)Nc2ccc3nc([N-]S(C)(=O)=O)sc3c2)c1 ZINC000013348862 569411099 /nfs/dbraw/zinc/41/10/99/569411099.db2.gz UOFIIZVIGWMMFQ-UHFFFAOYSA-N -1 0 408.530 4.034 50 0 HIAARM CC[C@H](c1nnc(S[C@H](C(=O)[O-])c2ccccc2)n1Cc1ccccc1)N(C)C ZINC000008748062 571111564 /nfs/dbraw/zinc/11/15/64/571111564.db2.gz JCWMCGPBKCOIPT-MOPGFXCFSA-N -1 0 410.543 4.257 50 0 HIAARM Cc1nc2cc(NC(=O)c3cccc([N-]S(=O)(=O)c4cccs4)c3)ccc2o1 ZINC000040145146 571195206 /nfs/dbraw/zinc/19/52/06/571195206.db2.gz RBHJPFGNMHPOLP-UHFFFAOYSA-N -1 0 413.480 4.251 50 0 HIAARM COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)c(C(=O)[O-])c1OC ZINC000009216573 571237417 /nfs/dbraw/zinc/23/74/17/571237417.db2.gz XKMJHIOICMXXFD-AOMKIAJQSA-N -1 0 420.421 4.237 50 0 HIAARM O=C(NCc1ccco1)c1ccccc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000009468845 571261441 /nfs/dbraw/zinc/26/14/41/571261441.db2.gz MAZXMUSAGDIRLO-UHFFFAOYSA-N -1 0 424.400 4.029 50 0 HIAARM Cc1sc2nc(SCc3nc(=O)c4sccc4[n-]3)n(C(C)C)c(=O)c2c1C ZINC000009513311 571264553 /nfs/dbraw/zinc/26/45/53/571264553.db2.gz XNHZXIJFLIEVSM-UHFFFAOYSA-N -1 0 418.569 4.246 50 0 HIAARM COc1ccc(NC(=S)NNc2c(Cl)c(Cl)nc(C(=O)[O-])c2Cl)cc1 ZINC000009540665 571267446 /nfs/dbraw/zinc/26/74/46/571267446.db2.gz HBOIBIUSUZQXHI-UHFFFAOYSA-N -1 0 421.693 4.062 50 0 HIAARM Cc1nc2ccc([N-]S(=O)(=O)c3c(F)cc(F)cc3Br)cc2s1 ZINC000009963823 571293072 /nfs/dbraw/zinc/29/30/72/571293072.db2.gz FDQZAPRSLLXMPP-UHFFFAOYSA-N -1 0 419.272 4.446 50 0 HIAARM O=C([O-])c1cc(/C=C/c2ccccc2OCC(=O)N2CCCC2)nc2ccccc21 ZINC000012620170 845879435 /nfs/dbraw/zinc/87/94/35/845879435.db2.gz PURQKDKUPUJYBF-VAWYXSNFSA-N -1 0 402.450 4.105 50 0 HIAARM COc1cc(C=Cc2nc(=O)c3c4c(sc3[nH]2)CCCCC4)cc([N+](=O)[O-])c1[O-] ZINC000096021548 852547338 /nfs/dbraw/zinc/54/73/38/852547338.db2.gz KZAWJVUXWKDXAN-FPLPWBNLSA-N -1 0 413.455 4.046 50 0 HIAARM CCOc1cc2c(cc1OCC)[C@@H](CC(=O)[O-])N(C(=O)Nc1ccc(C)cc1)CC2 ZINC000020515429 520797499 /nfs/dbraw/zinc/79/74/99/520797499.db2.gz PZXKSHGLUANCBY-LJQANCHMSA-N -1 0 412.486 4.398 50 0 HIAARM COc1cc(OC)c([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4)c32)cc1OC ZINC000040312931 522833629 /nfs/dbraw/zinc/83/36/29/522833629.db2.gz XEDZQHSVPPIVKM-OAHLLOKOSA-N -1 0 422.437 4.325 50 0 HIAARM CN1c2ccccc2[C@]2(CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)C1=O ZINC000032070607 524036881 /nfs/dbraw/zinc/03/68/81/524036881.db2.gz UHOFBVGKCHNUJZ-QFIPXVFZSA-N -1 0 404.447 4.368 50 0 HIAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)c1 ZINC000020580556 524870636 /nfs/dbraw/zinc/87/06/36/524870636.db2.gz SDIVAOCTTYHGLZ-UHFFFAOYSA-N -1 0 402.472 4.085 50 0 HIAARM COc1ccc(OC)c([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(F)cc4)c32)c1 ZINC000040286642 524912112 /nfs/dbraw/zinc/91/21/12/524912112.db2.gz IFQODDZNLJECDK-MRXNPFEDSA-N -1 0 410.401 4.455 50 0 HIAARM C[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000032194757 525240076 /nfs/dbraw/zinc/24/00/76/525240076.db2.gz XMFIHZBLAYWPSO-AWEZNQCLSA-N -1 0 416.449 4.257 50 0 HIAARM O=C([O-])c1cccc(NC(=O)N2CCc3[nH]cnc3[C@H]2c2ccc(Cl)cc2F)c1 ZINC000040288553 526392413 /nfs/dbraw/zinc/39/24/13/526392413.db2.gz UWVFASWIZXJIHG-GOSISDBHSA-N -1 0 414.824 4.080 50 0 HIAARM Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000040287219 526578981 /nfs/dbraw/zinc/57/89/81/526578981.db2.gz VBFACRANJNYXDI-CYBMUJFWSA-N -1 0 416.421 4.246 50 0 HIAARM O=C(c1csc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c1)N1CCCCC1 ZINC000045961651 526907772 /nfs/dbraw/zinc/90/77/72/526907772.db2.gz GHRVPIHBQYTUON-UHFFFAOYSA-N -1 0 418.462 4.194 50 0 HIAARM O=S(=O)([N-]c1cccc(OC[C@H]2CCCO2)c1)c1cc(Cl)ccc1Cl ZINC000032776758 527253612 /nfs/dbraw/zinc/25/36/12/527253612.db2.gz CSPOMRUEUFDPGC-OAHLLOKOSA-N -1 0 402.299 4.352 50 0 HIAARM O=C([O-])[C@@H](Cc1cccc(F)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000000622079 557019495 /nfs/dbraw/zinc/01/94/95/557019495.db2.gz DWSDVARCJDOADL-JOCHJYFZSA-N -1 0 405.425 4.360 50 0 HIAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)Nc1cccc(Cl)c1 ZINC000000656411 557041163 /nfs/dbraw/zinc/04/11/63/557041163.db2.gz BTJOKAUCIZJCEB-UHFFFAOYSA-N -1 0 408.892 4.241 50 0 HIAARM COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000000687818 557059714 /nfs/dbraw/zinc/05/97/14/557059714.db2.gz QALFYKRUZXCXFE-UHFFFAOYSA-N -1 0 416.886 4.402 50 0 HIAARM CCOc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCc3ccccc3C2)cc1 ZINC000022627427 557112621 /nfs/dbraw/zinc/11/26/21/557112621.db2.gz MSIYCRRASKHRJT-HXUWFJFHSA-N -1 0 420.538 4.351 50 0 HIAARM CCOc1ccccc1Oc1c(=O)c2ccc(OCC(=O)[O-])cc2oc1C(F)(F)F ZINC000000941384 557121642 /nfs/dbraw/zinc/12/16/42/557121642.db2.gz RFGLQRVBSOYGLK-UHFFFAOYSA-N -1 0 424.327 4.466 50 0 HIAARM COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000001044298 557155472 /nfs/dbraw/zinc/15/54/72/557155472.db2.gz YYTJXYCRMDRZEH-UHFFFAOYSA-N -1 0 406.467 4.183 50 0 HIAARM O=S(=O)([N-]c1nc2ccccc2nc1NCc1ccccc1)c1ccc(F)cc1 ZINC000002381830 557342316 /nfs/dbraw/zinc/34/23/16/557342316.db2.gz COUMMSCYICFFSH-UHFFFAOYSA-N -1 0 408.458 4.182 50 0 HIAARM O=C([O-])c1ccccc1NC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000002836774 557399266 /nfs/dbraw/zinc/39/92/66/557399266.db2.gz TVRWSBVMNJXOOG-UHFFFAOYSA-N -1 0 408.841 4.472 50 0 HIAARM CCOC(=O)[C@@]([N-]c1ccccc1F)(NC(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000003138074 557450506 /nfs/dbraw/zinc/45/05/06/557450506.db2.gz KUZOUUPVFWCEKG-QGZVFWFLSA-N -1 0 418.774 4.143 50 0 HIAARM O=C([O-])c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 ZINC000003324632 557473432 /nfs/dbraw/zinc/47/34/32/557473432.db2.gz ZSPOVVBXTNJMRN-UHFFFAOYSA-N -1 0 401.871 4.434 50 0 HIAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000004611839 557572241 /nfs/dbraw/zinc/57/22/41/557572241.db2.gz SYWWUPQNVCJRLZ-OLZOCXBDSA-N -1 0 409.305 4.402 50 0 HIAARM O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1c1nnc(-c2ccco2)[n-]1 ZINC000007000077 557733100 /nfs/dbraw/zinc/73/31/00/557733100.db2.gz TXVJYQDQRBJBAU-UHFFFAOYSA-N -1 0 418.023 4.479 50 0 HIAARM Cc1cc(C)n(CCc2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)n1 ZINC000002731641 557754531 /nfs/dbraw/zinc/75/45/31/557754531.db2.gz KALDHPBKHIVNHC-UHFFFAOYSA-N -1 0 413.938 4.236 50 0 HIAARM Cc1cc(C)n([N-]C(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)c(=O)c1 ZINC000002791333 557764038 /nfs/dbraw/zinc/76/40/38/557764038.db2.gz LFKCUBXBJIWMLD-UHFFFAOYSA-N -1 0 407.253 4.328 50 0 HIAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2cnn(Cc3cccc(C(F)(F)F)c3)c2)c1 ZINC000002791908 557764297 /nfs/dbraw/zinc/76/42/97/557764297.db2.gz XQQOGJYIVXNJFR-UHFFFAOYSA-N -1 0 409.433 4.368 50 0 HIAARM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)o1 ZINC000009324494 557837215 /nfs/dbraw/zinc/83/72/15/557837215.db2.gz NCWOVTYYTJWFLG-YBFXNURJSA-N -1 0 420.396 4.185 50 0 HIAARM CCc1nc2sc([C@H](c3ccc(Br)cc3)N3CCCC3)c([O-])n2n1 ZINC000022852946 557839947 /nfs/dbraw/zinc/83/99/47/557839947.db2.gz XNVZNLJWJXWMKJ-AWEZNQCLSA-N -1 0 407.337 4.007 50 0 HIAARM Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000011844220 558289004 /nfs/dbraw/zinc/28/90/04/558289004.db2.gz ZYENUVYXOBOIAD-HXUWFJFHSA-N -1 0 401.470 4.066 50 0 HIAARM COc1ccccc1[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000012351540 558386556 /nfs/dbraw/zinc/38/65/56/558386556.db2.gz LZAACEXURLBYEU-JOCHJYFZSA-N -1 0 403.434 4.360 50 0 HIAARM O=C([O-])[C@H](c1c[nH]c2ccc(Cl)cc21)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000020721442 558402940 /nfs/dbraw/zinc/40/29/40/558402940.db2.gz ZKPNBNIRXZBOCX-FQEVSTJZSA-N -1 0 418.324 4.418 50 0 HIAARM CC(C)c1ccc(-c2nc(CC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])cs2)cc1 ZINC000020744711 558409462 /nfs/dbraw/zinc/40/94/62/558409462.db2.gz MDNYWYNEAFPQAP-FQEVSTJZSA-N -1 0 408.523 4.288 50 0 HIAARM CCCSc1nnc([N-]C(=O)c2cc(-c3ccc4c(c3)C[C@@H](C)O4)on2)s1 ZINC000021786120 558448684 /nfs/dbraw/zinc/44/86/84/558448684.db2.gz TZVIFVUHJRKIJL-SNVBAGLBSA-N -1 0 402.501 4.271 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccsc3)ccc2Cl)cc1 ZINC000022593425 558500200 /nfs/dbraw/zinc/50/02/00/558500200.db2.gz ZDLNCEKNKMUEEZ-UHFFFAOYSA-N -1 0 422.915 4.463 50 0 HIAARM CCc1cccc(CC)c1-n1c(=O)cc([O-])nc1SCC(=O)Nc1ccc(C)cc1 ZINC000013128998 558519581 /nfs/dbraw/zinc/51/95/81/558519581.db2.gz FUSXINSDEUOTHC-UHFFFAOYSA-N -1 0 423.538 4.102 50 0 HIAARM CCOc1ccc(-c2[nH]nc3nc(-c4ccc(O)c(OC)c4)cc(C(=O)[O-])c32)cc1 ZINC000013363474 558530575 /nfs/dbraw/zinc/53/05/75/558530575.db2.gz WYTBHWIDDHZBGD-UHFFFAOYSA-N -1 0 405.410 4.103 50 0 HIAARM CCC[C@H](C)n1c(SCC(=O)Nc2c(C)cccc2C)nc([O-])c(CC)c1=O ZINC000013957247 558607855 /nfs/dbraw/zinc/60/78/55/558607855.db2.gz FUHUUVFRQWFYTF-HNNXBMFYSA-N -1 0 403.548 4.220 50 0 HIAARM O=S(=O)([N-]c1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)c1cccs1 ZINC000024777528 558612728 /nfs/dbraw/zinc/61/27/28/558612728.db2.gz FLVRZDFCTYTGNG-UHFFFAOYSA-N -1 0 408.936 4.187 50 0 HIAARM O=C(Nc1ccc(Cl)cn1)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000072254936 558652866 /nfs/dbraw/zinc/65/28/66/558652866.db2.gz TURJCQXFYXBFTP-UHFFFAOYSA-N -1 0 422.293 4.442 50 0 HIAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)c1 ZINC000028813705 558705116 /nfs/dbraw/zinc/70/51/16/558705116.db2.gz HZMUYNOYAVMULW-UHFFFAOYSA-N -1 0 422.915 4.215 50 0 HIAARM O=C(Nc1cccnc1)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000015436220 558739984 /nfs/dbraw/zinc/73/99/84/558739984.db2.gz XAZPSJSOXSPNSI-UHFFFAOYSA-N -1 0 422.293 4.442 50 0 HIAARM O=C([O-])c1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 ZINC000034864536 558785916 /nfs/dbraw/zinc/78/59/16/558785916.db2.gz CNKADLQVFXHYSE-DHDCSXOGSA-N -1 0 418.268 4.384 50 0 HIAARM CC(C)c1ccc([C@@H]2CC(=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)NN2)cc1 ZINC000017015610 558811834 /nfs/dbraw/zinc/81/18/34/558811834.db2.gz XVGDAKOMSHARJJ-NSURYPBFSA-N -1 0 424.888 4.380 50 0 HIAARM Cc1sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c(C(=O)NC2CCCCC2)c1C ZINC000017087438 558816349 /nfs/dbraw/zinc/81/63/49/558816349.db2.gz RGNYMTBVKNUQQO-HOTGVXAUSA-N -1 0 406.548 4.257 50 0 HIAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)Nc1sccc1C(=O)Nc1ccccc1F ZINC000017090611 558819309 /nfs/dbraw/zinc/81/93/09/558819309.db2.gz GWGQFHJNDBPADB-FIMMUYGNSA-N -1 0 416.474 4.215 50 0 HIAARM CCC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC(C)=C(C)C[C@@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000017091518 558820097 /nfs/dbraw/zinc/82/00/97/558820097.db2.gz NBIXLGMEHJODLK-BMFZPTHFSA-N -1 0 418.559 4.138 50 0 HIAARM Cc1sc(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)[O-])c(C(=O)NC2CCCC2)c1C ZINC000017091524 558820116 /nfs/dbraw/zinc/82/01/16/558820116.db2.gz AFNZTKVOARLELF-VKYMVXLJSA-N -1 0 418.559 4.113 50 0 HIAARM COCc1cccc(S(=O)(=O)[N-]c2nc3ccc(Br)cc3s2)c1 ZINC000071195367 558857754 /nfs/dbraw/zinc/85/77/54/558857754.db2.gz HDZOEWIMMMLEDU-UHFFFAOYSA-N -1 0 413.318 4.006 50 0 HIAARM O=C(Nc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccccn1 ZINC000058232461 558914081 /nfs/dbraw/zinc/91/40/81/558914081.db2.gz IRTOMCFRFVIMDZ-UHFFFAOYSA-N -1 0 423.828 4.066 50 0 HIAARM Cc1ccc(S(=O)(=O)Nc2ccc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)cc1C ZINC000033253464 558921516 /nfs/dbraw/zinc/92/15/16/558921516.db2.gz RPMBIIZXBBVFLJ-UHFFFAOYSA-N -1 0 424.522 4.439 50 0 HIAARM CCCN(CCC)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C)ccc1C ZINC000033253924 558922307 /nfs/dbraw/zinc/92/23/07/558922307.db2.gz DBKRMETVKRZNKJ-UHFFFAOYSA-N -1 0 404.532 4.429 50 0 HIAARM Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C)cc2)c1C(=O)Nc1cccc(C(C)C)c1 ZINC000033279656 559043404 /nfs/dbraw/zinc/04/34/04/559043404.db2.gz AAABJCJFIBVVEF-UHFFFAOYSA-N -1 0 412.515 4.203 50 0 HIAARM COCCCn1c(=O)c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2[n-]c1=S ZINC000011427565 559075776 /nfs/dbraw/zinc/07/57/76/559075776.db2.gz PUALIYSDXHHQJC-UHFFFAOYSA-N -1 0 417.918 4.310 50 0 HIAARM Cc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccco2)c3=O)cc1F ZINC000011497817 559078635 /nfs/dbraw/zinc/07/86/35/559078635.db2.gz XCCOJCNIHHOBEY-UHFFFAOYSA-N -1 0 409.442 4.400 50 0 HIAARM CCCn1c(=O)c(C(=O)Nc2ccccc2Br)c([O-])c2ccccc21 ZINC000100448182 559135335 /nfs/dbraw/zinc/13/53/35/559135335.db2.gz XDXRATZXRWBYAG-UHFFFAOYSA-N -1 0 401.260 4.132 50 0 HIAARM Cc1cccc(-n2c(S[C@H](C)C(=O)[O-])nc3sc4c(c3c2=O)CCCC4)c1 ZINC000004871839 559194442 /nfs/dbraw/zinc/19/44/42/559194442.db2.gz FFUCJHMHQWLLAX-GFCCVEGCSA-N -1 0 400.525 4.200 50 0 HIAARM Cn1c(=O)c(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c([O-])c2ccccc21 ZINC000100331710 559195476 /nfs/dbraw/zinc/19/54/76/559195476.db2.gz ZCOFCQBIVXSCPU-UHFFFAOYSA-N -1 0 411.870 4.273 50 0 HIAARM COc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)NC3CCCCC3)c2)cc1 ZINC000005557795 560614160 /nfs/dbraw/zinc/61/41/60/560614160.db2.gz FCJXUCNLYBVYPN-UHFFFAOYSA-N -1 0 417.531 4.259 50 0 HIAARM CCOc1cc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])ccc1OCc1ccccc1 ZINC000005644915 560636197 /nfs/dbraw/zinc/63/61/97/560636197.db2.gz MMMPPIQTOZIUHI-UNOMPAQXSA-N -1 0 411.483 4.309 50 0 HIAARM Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000002998865 560732730 /nfs/dbraw/zinc/73/27/30/560732730.db2.gz VLDWGCXFGSTSMO-UHFFFAOYSA-N -1 0 404.491 4.338 50 0 HIAARM Cn1cnc(S(=O)(=O)[N-]c2ccccc2-c2csc(-c3ccccc3F)n2)c1 ZINC000206909895 560749202 /nfs/dbraw/zinc/74/92/02/560749202.db2.gz HTYYGPSIVPGEFA-UHFFFAOYSA-N -1 0 414.487 4.151 50 0 HIAARM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccccc3)C2)c(=O)[nH]c1=O ZINC000101495281 560796306 /nfs/dbraw/zinc/79/63/06/560796306.db2.gz KYVDGAQHQTXTEC-IBGZPJMESA-N -1 0 421.522 4.400 50 0 HIAARM Cc1cccc(NC(=O)c2c([O-])c3cccnc3n(-c3ccc(F)cc3)c2=O)c1C ZINC000101723197 560799132 /nfs/dbraw/zinc/79/91/32/560799132.db2.gz LORGCFZRTQGSNQ-UHFFFAOYSA-N -1 0 403.413 4.100 50 0 HIAARM CCc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@H]2c1ccc(Cl)cc1 ZINC000101835397 560803315 /nfs/dbraw/zinc/80/33/15/560803315.db2.gz XUSIRUPNWCNNPH-IBGZPJMESA-N -1 0 422.872 4.335 50 0 HIAARM CCc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2cccc(Cl)c2)cc1 ZINC000101836643 560803689 /nfs/dbraw/zinc/80/36/89/560803689.db2.gz UKMYJKPYKRJTJW-IBGZPJMESA-N -1 0 422.872 4.335 50 0 HIAARM CCc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccc(Cl)cc2)cc1 ZINC000102820942 560829672 /nfs/dbraw/zinc/82/96/72/560829672.db2.gz YRVQKLHLBATQLI-IBGZPJMESA-N -1 0 422.872 4.335 50 0 HIAARM Cc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@@H]2c1ccc(Cl)cc1 ZINC000102901242 560834949 /nfs/dbraw/zinc/83/49/49/560834949.db2.gz WZMOAUFFVBVBDW-GOSISDBHSA-N -1 0 408.845 4.081 50 0 HIAARM COc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4C)[C@@H](c4cccs4)[C@@H]3C2=O)c1 ZINC000102910350 560835183 /nfs/dbraw/zinc/83/51/83/560835183.db2.gz OQMSVMBTGWOPNJ-PCCBWWKXSA-N -1 0 420.490 4.116 50 0 HIAARM COc1ccc(-n2nc(C)c3c2NC(=O)CC3=C([O-])c2cc3ccccc3o2)cc1 ZINC000046057849 568426321 /nfs/dbraw/zinc/42/63/21/568426321.db2.gz PQQLJBSXWFNFIR-KRWDZBQOSA-N -1 0 401.422 4.244 50 0 HIAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1ccc(Cl)cc1Cl ZINC000000790819 568478897 /nfs/dbraw/zinc/47/88/97/568478897.db2.gz SXDWQZCRILDHPD-UHFFFAOYSA-N -1 0 422.293 4.442 50 0 HIAARM C[C@@]12C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@H]1C1c3ccccc3C2c2ccccc21 ZINC000000828207 568500209 /nfs/dbraw/zinc/50/02/09/568500209.db2.gz AMDPEQKHSLHQMI-PKPIXHQUSA-N -1 0 409.441 4.172 50 0 HIAARM Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCC[C@@H](C)C3)cc2C(=O)[O-])cc1C ZINC000033007416 568510289 /nfs/dbraw/zinc/51/02/89/568510289.db2.gz HOPYUYIRMVKDPX-CQSZACIVSA-N -1 0 416.543 4.347 50 0 HIAARM O=C(/C=C/c1ccccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000833662 568511828 /nfs/dbraw/zinc/51/18/28/568511828.db2.gz UMWKHNBTANBHCS-BJMVGYQFSA-N -1 0 419.915 4.249 50 0 HIAARM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC(C)CC2)c(C)c1 ZINC000033253886 568512073 /nfs/dbraw/zinc/51/20/73/568512073.db2.gz LOLCQZOEEFHYOR-UHFFFAOYSA-N -1 0 402.516 4.039 50 0 HIAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)c1 ZINC000021033668 568659422 /nfs/dbraw/zinc/65/94/22/568659422.db2.gz RGJGQTUJYNMWFL-UHFFFAOYSA-N -1 0 400.456 4.037 50 0 HIAARM O=S(=O)([N-]c1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccc(F)cc1F ZINC000021358879 568689863 /nfs/dbraw/zinc/68/98/63/568689863.db2.gz WTEWJGIFOJDCKF-UHFFFAOYSA-N -1 0 413.405 4.483 50 0 HIAARM CC(C)c1ccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000096361215 568739172 /nfs/dbraw/zinc/73/91/72/568739172.db2.gz QUTXAOIPGPCIEY-UHFFFAOYSA-N -1 0 418.906 4.240 50 0 HIAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1c(C)[nH]c(C)c1-c1nnc(C2CCC2)o1 ZINC000096379718 568741358 /nfs/dbraw/zinc/74/13/58/568741358.db2.gz VOBYMCQBCAHTOY-UHFFFAOYSA-N -1 0 416.503 4.067 50 0 HIAARM CSc1ccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2-c2nnc(C3CCC3)o2)cc1 ZINC000096379726 568741455 /nfs/dbraw/zinc/74/14/55/568741455.db2.gz MGAACFXYSGXRGK-UHFFFAOYSA-N -1 0 418.544 4.472 50 0 HIAARM COc1ccc(-n2c(COc3cccc4ccccc43)nnc2SCC(=O)[O-])cc1 ZINC000000924682 568750753 /nfs/dbraw/zinc/75/07/53/568750753.db2.gz DLVREIWNKGSACZ-UHFFFAOYSA-N -1 0 421.478 4.185 50 0 HIAARM Cc1nn(Cc2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)cc1Cl ZINC000002730750 568804548 /nfs/dbraw/zinc/80/45/48/568804548.db2.gz MRLOXQGOZRSDQU-UHFFFAOYSA-N -1 0 420.329 4.387 50 0 HIAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nnc(C)o2)c2ccccc12 ZINC000057118215 568824109 /nfs/dbraw/zinc/82/41/09/568824109.db2.gz JBVLEHXPGBBCCG-UHFFFAOYSA-N -1 0 409.467 4.398 50 0 HIAARM COc1ccc(S(=O)(=O)[N-]c2nc3c(ccc4ccccc34)s2)c(OC)c1 ZINC000012552322 568854189 /nfs/dbraw/zinc/85/41/89/568854189.db2.gz LLGJHXFWGPBGTD-UHFFFAOYSA-N -1 0 400.481 4.268 50 0 HIAARM CCOc1ccc(OCCSc2ncc(C(=O)[O-])n2-c2ccc(F)cc2)cc1 ZINC000012577755 568862795 /nfs/dbraw/zinc/86/27/95/568862795.db2.gz FKGUOSJKFKFDDR-UHFFFAOYSA-N -1 0 402.447 4.279 50 0 HIAARM CC(=O)c1ccc(N2CCN(c3nc(-c4cc(C)cs4)ccc3C(=O)[O-])CC2)cc1 ZINC000299798830 568876431 /nfs/dbraw/zinc/87/64/31/568876431.db2.gz WADLMTGTDMELEM-UHFFFAOYSA-N -1 0 421.522 4.346 50 0 HIAARM O=C(c1ccc(Cl)cc1)c1ccc2c(c1[O-])[C@H](c1ccc3c(c1)OCO3)CC(=O)O2 ZINC000263586794 568879271 /nfs/dbraw/zinc/87/92/71/568879271.db2.gz YBRNHGRVYWWGQT-INIZCTEOSA-N -1 0 422.820 4.446 50 0 HIAARM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000078450657 568884715 /nfs/dbraw/zinc/88/47/15/568884715.db2.gz FFHYPNHCDFXQMT-UHFFFAOYSA-N -1 0 422.872 4.266 50 0 HIAARM Cc1sc2nc(-c3cccnc3)nc([N-]S(=O)(=O)c3ccc(C)cc3)c2c1C ZINC000003407305 568897513 /nfs/dbraw/zinc/89/75/13/568897513.db2.gz RBWLFOFALSVQDL-UHFFFAOYSA-N -1 0 410.524 4.479 50 0 HIAARM COc1ccccc1NC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1)c2=O ZINC000003630430 568921221 /nfs/dbraw/zinc/92/12/21/568921221.db2.gz WTSMUFJTKMSVDB-UHFFFAOYSA-N -1 0 417.490 4.368 50 0 HIAARM O=S(=O)([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1ccc(Cl)c(Cl)c1 ZINC000015671377 568961976 /nfs/dbraw/zinc/96/19/76/568961976.db2.gz CKQYRQXEBDBTLR-UHFFFAOYSA-N -1 0 417.705 4.087 50 0 HIAARM COC(=O)c1c(=O)c2ccccc2[n-]c1SCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000015731487 568981880 /nfs/dbraw/zinc/98/18/80/568981880.db2.gz DLYLXWHGAFLGOM-UHFFFAOYSA-N -1 0 416.886 4.007 50 0 HIAARM CCOc1ccc(NC(=O)C[C@H](Cc2ccc(Br)cc2)C(=O)[O-])cc1 ZINC000035142370 568999925 /nfs/dbraw/zinc/99/99/25/568999925.db2.gz ZLPRDMRXEHOCBX-AWEZNQCLSA-N -1 0 406.276 4.120 50 0 HIAARM O=C(Nc1cccc2cnccc21)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006147009 569014589 /nfs/dbraw/zinc/01/45/89/569014589.db2.gz XTEMXSJUQZEEAD-UHFFFAOYSA-N -1 0 421.453 4.427 50 0 HIAARM Cc1cc(NC(=O)CC(C)C)cc2sc([N-]S(=O)(=O)c3ccccc3)nc21 ZINC000015862131 569015854 /nfs/dbraw/zinc/01/58/54/569015854.db2.gz AOCYMTLLBUAZKT-UHFFFAOYSA-N -1 0 403.529 4.390 50 0 HIAARM Cn1c(=O)c(C(=O)N[C@H]2CCCc3c4cccc(Cl)c4[nH]c32)c([O-])c2ccccc21 ZINC000575443162 569028350 /nfs/dbraw/zinc/02/83/50/569028350.db2.gz KGXKWZYLWAMHFV-INIZCTEOSA-N -1 0 421.884 4.186 50 0 HIAARM COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])sc(C)c1-c1ccccc1 ZINC000006184259 569029070 /nfs/dbraw/zinc/02/90/70/569029070.db2.gz NVTOXEGRFFRKOU-CABCVRRESA-N -1 0 401.484 4.340 50 0 HIAARM COc1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2Br)cc1Cl ZINC000016147627 569029487 /nfs/dbraw/zinc/02/94/87/569029487.db2.gz SCWATCQEZJDARB-UHFFFAOYSA-N -1 0 412.639 4.190 50 0 HIAARM CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000006362010 569045911 /nfs/dbraw/zinc/04/59/11/569045911.db2.gz IDJNLTBYDBMHDF-LLVKDONJSA-N -1 0 401.315 4.323 50 0 HIAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000006404304 569046518 /nfs/dbraw/zinc/04/65/18/569046518.db2.gz WVDCHGCGSPYTKZ-GJZGRUSLSA-N -1 0 404.507 4.053 50 0 HIAARM Cc1cccc(C(=O)Nc2ccc(N3CCN(c4ccccc4)CC3)cc2C(=O)[O-])c1 ZINC000064589621 569069048 /nfs/dbraw/zinc/06/90/48/569069048.db2.gz HROIHKPTNXCPJJ-UHFFFAOYSA-N -1 0 415.493 4.272 50 0 HIAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3cccc(C)c3)cc2)c1C ZINC000006623351 569075079 /nfs/dbraw/zinc/07/50/79/569075079.db2.gz DTOAFCCMUXLODC-UHFFFAOYSA-N -1 0 400.460 4.045 50 0 HIAARM COc1ccc(-c2coc3c2cc2c(C)c(CC(=O)[O-])c(=O)oc2c3C)cc1OC ZINC000006624268 569075554 /nfs/dbraw/zinc/07/55/54/569075554.db2.gz WRPRMQQFFURNEL-UHFFFAOYSA-N -1 0 408.406 4.467 50 0 biogenic HIAARM O=C(NCC1CCCCC1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1)c2=O ZINC000006653409 569082646 /nfs/dbraw/zinc/08/26/46/569082646.db2.gz SCORFEZARKTXJC-UHFFFAOYSA-N -1 0 407.539 4.417 50 0 HIAARM CCc1ccc([N-]S(=O)(=O)c2cccnc2Nc2ccc(OC)cc2F)cc1 ZINC000064757592 569091092 /nfs/dbraw/zinc/09/10/92/569091092.db2.gz OPFKIODDHXZKKH-UHFFFAOYSA-N -1 0 401.463 4.336 50 0 HIAARM Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c1C ZINC000064845850 569108194 /nfs/dbraw/zinc/10/81/94/569108194.db2.gz ZHOCFIVAMUGHDG-UHFFFAOYSA-N -1 0 420.512 4.209 50 0 HIAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)s2)c1 ZINC000065004098 569152319 /nfs/dbraw/zinc/15/23/19/569152319.db2.gz VFWYPDSQSVVPHU-UHFFFAOYSA-N -1 0 406.485 4.099 50 0 HIAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)c1 ZINC000006887632 569170776 /nfs/dbraw/zinc/17/07/76/569170776.db2.gz XUUKDAYLQDZVJZ-UHFFFAOYSA-N -1 0 400.500 4.255 50 0 HIAARM CSc1cccc(NC(=O)c2c(=O)[nH]c3sc4c(c3c2[O-])CC[C@@H](C)C4)c1 ZINC000065150480 569184868 /nfs/dbraw/zinc/18/48/68/569184868.db2.gz CWQOMSFHAIOMGE-SNVBAGLBSA-N -1 0 400.525 4.394 50 0 HIAARM Cc1c(-c2nnc(C3CC3)o2)n(C)c(C)c1S(=O)(=O)[N-]c1ccc(C)c(Cl)c1 ZINC000065186549 569192163 /nfs/dbraw/zinc/19/21/63/569192163.db2.gz SXYIUVLVBKVBRY-UHFFFAOYSA-N -1 0 420.922 4.332 50 0 HIAARM CCc1noc(-c2c(C)n(C)c(C)c2S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)n1 ZINC000065194566 569192750 /nfs/dbraw/zinc/19/27/50/569192750.db2.gz WYOZLRDVEQYWHC-UHFFFAOYSA-N -1 0 408.911 4.017 50 0 HIAARM COc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1COc1cccc(C(F)(F)F)c1 ZINC000036623957 569212709 /nfs/dbraw/zinc/21/27/09/569212709.db2.gz MRXWHGREHHBFCQ-RDJZCZTQSA-N -1 0 413.417 4.081 50 0 HIAARM CC(C)c1ccc(-c2nc(CC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)cs2)cc1 ZINC000238899445 569227620 /nfs/dbraw/zinc/22/76/20/569227620.db2.gz GKVMZZYFGVVYOS-RZDIXWSQSA-N -1 0 400.544 4.483 50 0 HIAARM CCOC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1cccc(OC)c1 ZINC000007428265 569238386 /nfs/dbraw/zinc/23/83/86/569238386.db2.gz QOZWEBKEOVXJNL-UHFFFAOYSA-N -1 0 409.460 4.027 50 0 HIAARM Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@H](NC(=O)[C@H]1CC=CCC1)C(=O)[O-] ZINC000170592077 569240911 /nfs/dbraw/zinc/24/09/11/569240911.db2.gz QIQHFQJDZDQVRG-KSSFIOAISA-N -1 0 421.419 4.106 50 0 HIAARM O=C([O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc2c(c1)CCO2 ZINC000226772606 569279411 /nfs/dbraw/zinc/27/94/11/569279411.db2.gz APKKHGYKJQFKLD-HSZRJFAPSA-N -1 0 415.445 4.286 50 0 HIAARM Cc1oc2cc(OCC(=O)[O-])ccc2c(=O)c1Oc1ccccc1Br ZINC000011764794 569398932 /nfs/dbraw/zinc/39/89/32/569398932.db2.gz ZFWZRISJERPULT-UHFFFAOYSA-N -1 0 405.200 4.120 50 0 HIAARM O=C(c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1)N1CCCC1 ZINC000040134998 571187925 /nfs/dbraw/zinc/18/79/25/571187925.db2.gz HNPKRRUMKHJPSR-UHFFFAOYSA-N -1 0 417.289 4.169 50 0 HIAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N(C)c1ccccc1O2 ZINC000008961040 571189356 /nfs/dbraw/zinc/18/93/56/571189356.db2.gz QFSCACUKECAKHS-UHFFFAOYSA-N -1 0 424.478 4.187 50 0 HIAARM Cc1cc(Br)c([O-])c(C(=O)N(C)Cc2ccc(Br)cc2)c1 ZINC000040151800 571199582 /nfs/dbraw/zinc/19/95/82/571199582.db2.gz RWTCFIHJPPAPGF-UHFFFAOYSA-N -1 0 413.109 4.498 50 0 HIAARM O=S(=O)([N-]c1nc2ccccc2nc1N1CCCC1)c1ccccc1C(F)(F)F ZINC000009126175 571226454 /nfs/dbraw/zinc/22/64/54/571226454.db2.gz IELBGGPMTGQMPK-UHFFFAOYSA-N -1 0 422.432 4.050 50 0 HIAARM O=C([O-])c1ccc(C=C(C(=O)Nc2ccccc2F)C(=O)Nc2ccccc2F)cc1 ZINC000009633381 571275002 /nfs/dbraw/zinc/27/50/02/571275002.db2.gz GVPZBYGDARSWFN-UHFFFAOYSA-N -1 0 422.387 4.324 50 0 HIAARM COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1ccccc1OC ZINC000009645807 571276326 /nfs/dbraw/zinc/27/63/26/571276326.db2.gz WCNBISQWSNKZBU-UHFFFAOYSA-N -1 0 403.481 4.011 50 0 HIAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3cccc(SC)c3)s2)on1 ZINC000009688885 571280132 /nfs/dbraw/zinc/28/01/32/571280132.db2.gz MUYGTVJQQXLJLH-UHFFFAOYSA-N -1 0 424.525 4.103 50 0 HIAARM CCCC[C@H](CC)CNC(=O)C(=C([O-])c1ccc(F)cc1)n1cc(Cl)ccc1=O ZINC000009763322 571284795 /nfs/dbraw/zinc/28/47/95/571284795.db2.gz SRECJNSQUAANKU-YWZLYKJASA-N -1 0 420.912 4.397 50 0 HIAARM O=C([O-])[C@@H]1CS[C@@H](c2ccc(COc3ccc(Br)cc3Cl)o2)N1 ZINC000020606331 846384896 /nfs/dbraw/zinc/38/48/96/846384896.db2.gz XMFFZWRLXCIXGS-FZMZJTMJSA-N -1 0 418.696 4.063 50 0 HIAARM CC1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)COc4ccccc4)ccc3n2)CC1 ZINC000033260507 848133312 /nfs/dbraw/zinc/13/33/12/848133312.db2.gz FVAXGCDMHYZWCS-UHFFFAOYSA-N -1 0 419.481 4.187 50 0 HIAARM C/C=C/C=C\C(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000097987688 852646977 /nfs/dbraw/zinc/64/69/77/852646977.db2.gz LNEWBLSKVWNTOH-ICWBMWKASA-N -1 0 406.891 4.220 50 0 HIAARM O=C([O-])c1cccc(-c2ccc(C=NNC(=O)c3ccc(Br)cc3)o2)c1 ZINC000254513201 854211661 /nfs/dbraw/zinc/21/16/61/854211661.db2.gz IUMGFJCRLWWBJZ-UHFFFAOYSA-N -1 0 413.227 4.171 50 0 HIAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 ZINC000004811082 132289203 /nfs/dbraw/zinc/28/92/03/132289203.db2.gz DLWHFPQKKGBCSX-UXHICEINSA-N -1 0 406.482 4.109 50 0 HIAARM CCCCN1c2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3OC)cc2CCC1=O ZINC000008840756 132333701 /nfs/dbraw/zinc/33/37/01/132333701.db2.gz WGKVRPWPJWTJKM-UHFFFAOYSA-N -1 0 416.543 4.192 50 0 HIAARM CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C/c2cc3ccccc3[nH]c2=O)C1 ZINC000044574935 521730194 /nfs/dbraw/zinc/73/01/94/521730194.db2.gz AZOGSSXZPDWCKN-SFQUDFHCSA-N -1 0 411.461 4.151 50 0 HIAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(Nc2ccccc2)cc1OC ZINC000043277624 522452867 /nfs/dbraw/zinc/45/28/67/522452867.db2.gz NDFKBGWLUHKMFY-UHFFFAOYSA-N -1 0 418.496 4.088 50 0 in-vivo HIAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@]2(CC(=O)N3)C(=O)Nc3ccccc32)cc1 ZINC000032072753 523080994 /nfs/dbraw/zinc/08/09/94/523080994.db2.gz YVHYZAPXRUNXTB-JOCHJYFZSA-N -1 0 420.446 4.352 50 0 HIAARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@@H](c2ccc(OC)c(OC)c2)CC(=O)N3)cc1 ZINC000040312523 523326270 /nfs/dbraw/zinc/32/62/70/523326270.db2.gz DTZXPIVKJPYNML-MRXNPFEDSA-N -1 0 422.437 4.325 50 0 HIAARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@H](c2ccc(O)c(OC)c2)CC(=O)N3)cc1 ZINC000040313206 523326847 /nfs/dbraw/zinc/32/68/47/523326847.db2.gz UDRJYNIENUEAHV-HNNXBMFYSA-N -1 0 408.410 4.022 50 0 HIAARM Cc1cc(C)cc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3cccs3)cc2)c1 ZINC000032059766 524422638 /nfs/dbraw/zinc/42/26/38/524422638.db2.gz FJQHUMFDMPDQRE-UHFFFAOYSA-N -1 0 400.525 4.347 50 0 HIAARM O=S(=O)([N-]c1ccc(Br)c2cccnc12)c1cccc2cccnc21 ZINC000000754648 557076590 /nfs/dbraw/zinc/07/65/90/557076590.db2.gz YQWCFUIRLQSCCV-UHFFFAOYSA-N -1 0 414.284 4.346 50 0 HIAARM Cc1ccc(Sc2ccncc2S(=O)(=O)[N-]C(=O)c2ccc(Cl)cc2)cc1 ZINC000000987777 557133191 /nfs/dbraw/zinc/13/31/91/557133191.db2.gz XJHGOPIXUAUOCI-UHFFFAOYSA-N -1 0 418.927 4.313 50 0 HIAARM O=S(=O)([N-]c1cccc(-c2nnco2)c1)c1cc(Cl)c(Cl)cc1Cl ZINC000001035084 557150016 /nfs/dbraw/zinc/15/00/16/557150016.db2.gz ISAQBMVJFWOJCX-UHFFFAOYSA-N -1 0 404.662 4.498 50 0 HIAARM Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc(S(C)(=O)=O)cc1 ZINC000001040626 557153167 /nfs/dbraw/zinc/15/31/67/557153167.db2.gz JEBYHNNNWXALDA-UHFFFAOYSA-N -1 0 415.945 4.067 50 0 HIAARM O=C([O-])c1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O ZINC000001214980 557245489 /nfs/dbraw/zinc/24/54/89/557245489.db2.gz LPFLAELGEBVDJO-UHFFFAOYSA-N -1 0 420.808 4.091 50 0 HIAARM O=C([O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1Cc2ccccc2C1 ZINC000002569522 557357149 /nfs/dbraw/zinc/35/71/49/557357149.db2.gz PLYYQWWELYJSEB-XMMPIXPASA-N -1 0 413.473 4.393 50 0 HIAARM COC(=O)c1c(-c2cc(C)ccc2C)csc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000003864130 557501548 /nfs/dbraw/zinc/50/15/48/557501548.db2.gz JZLQLDFYODLNLD-LSDHHAIUSA-N -1 0 413.495 4.424 50 0 HIAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000004611840 557572186 /nfs/dbraw/zinc/57/21/86/557572186.db2.gz SYWWUPQNVCJRLZ-STQMWFEESA-N -1 0 409.305 4.402 50 0 HIAARM O=C([O-])c1cccc(NC(=O)/C(=C\c2ccccc2Cl)NC(=O)c2ccco2)c1 ZINC000005014158 557625799 /nfs/dbraw/zinc/62/57/99/557625799.db2.gz JODPLYLPLZKLQX-SFQUDFHCSA-N -1 0 410.813 4.041 50 0 HIAARM O=C([O-])c1cccc(NC(=O)CSc2nnc(-c3ccc4ccccc4n3)s2)c1 ZINC000002242365 557670228 /nfs/dbraw/zinc/67/02/28/557670228.db2.gz CCNNOOUQTAQGMM-UHFFFAOYSA-N -1 0 422.491 4.182 50 0 HIAARM Cn1ccc(-c2nnc([N-]c3ccn(Cc4c(Cl)cccc4Cl)n3)s2)n1 ZINC000002731513 557754509 /nfs/dbraw/zinc/75/45/09/557754509.db2.gz GQLFIMVNJZGBKU-UHFFFAOYSA-N -1 0 406.302 4.234 50 0 HIAARM COc1ccc(S(=O)(=O)[N-]c2ccn(Cc3c(Cl)cccc3Cl)n2)cc1 ZINC000002804809 557763604 /nfs/dbraw/zinc/76/36/04/557763604.db2.gz RHABGUAMUSEVBJ-UHFFFAOYSA-N -1 0 412.298 4.048 50 0 HIAARM COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000008444998 557790123 /nfs/dbraw/zinc/79/01/23/557790123.db2.gz CPOHMIYNVZTGNN-KBPBESRZSA-N -1 0 419.886 4.461 50 0 HIAARM CCOC(=O)c1cnc([N-]c2nc3ccccc3s2)nc1CSc1ncccn1 ZINC000009111132 557824320 /nfs/dbraw/zinc/82/43/20/557824320.db2.gz OEFMECUPFRMIBV-UHFFFAOYSA-N -1 0 424.511 4.089 50 0 HIAARM CCc1nc2sc([C@@H](c3ccc(Br)cc3)N3CCCCC3)c([O-])n2n1 ZINC000022853047 557840011 /nfs/dbraw/zinc/84/00/11/557840011.db2.gz JDWCFYFYEDCZKZ-OAHLLOKOSA-N -1 0 421.364 4.397 50 0 HIAARM Cc1nc([N-]S(=O)(=O)c2ccccc2)sc1C(=O)NC1CCCCCCC1 ZINC000020427085 558362464 /nfs/dbraw/zinc/36/24/64/558362464.db2.gz AAUGJLCZOARNFN-UHFFFAOYSA-N -1 0 407.561 4.095 50 0 HIAARM COc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1COc1c(Cl)cccc1Cl ZINC000020606365 558387972 /nfs/dbraw/zinc/38/79/72/558387972.db2.gz PKAQOXLVBYJPIF-YOEHRIQHSA-N -1 0 414.310 4.369 50 0 HIAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)cc1)C1CCCCC1 ZINC000012377094 558392254 /nfs/dbraw/zinc/39/22/54/558392254.db2.gz KXNYAUDPSIRGQA-UHFFFAOYSA-N -1 0 424.526 4.192 50 0 HIAARM COc1cc(C=C2SC(=S)NC2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000013809837 558595247 /nfs/dbraw/zinc/59/52/47/558595247.db2.gz NLOLDCJAJMMYCK-SXGWCWSVSA-N -1 0 401.465 4.302 50 0 HIAARM Cc1cc(-c2csc(NC(=O)c3ccccc3[N-]S(C)(=O)=O)n2)c(C)s1 ZINC000024968999 558622943 /nfs/dbraw/zinc/62/29/43/558622943.db2.gz DIXFMNNYMJQWIV-UHFFFAOYSA-N -1 0 407.542 4.112 50 0 HIAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(-c2cn3cccc(C)c3n2)cc1 ZINC000027530745 558674335 /nfs/dbraw/zinc/67/43/35/558674335.db2.gz OUPUAHHFNUWPFE-UHFFFAOYSA-N -1 0 411.458 4.258 50 0 HIAARM O=C(NCCCOC1CCCCC1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000015177238 558726923 /nfs/dbraw/zinc/72/69/23/558726923.db2.gz JXZMKVBPMMJICF-UHFFFAOYSA-N -1 0 422.572 4.018 50 0 HIAARM CC(C)Oc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(Br)c2)cc1 ZINC000004580854 558766956 /nfs/dbraw/zinc/76/69/56/558766956.db2.gz HEIZTSRYYRBYDS-KRWDZBQOSA-N -1 0 406.276 4.182 50 0 HIAARM CCCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(OCC)c(OCC)c2)cc1 ZINC000004581230 558767146 /nfs/dbraw/zinc/76/71/46/558767146.db2.gz ONKMRAJUWHQGTH-LJQANCHMSA-N -1 0 415.486 4.219 50 0 HIAARM O=S(=O)([N-]c1ccc2c(c1)OC1(CCCC1)O2)c1ccc(Br)s1 ZINC000016126824 558773157 /nfs/dbraw/zinc/77/31/57/558773157.db2.gz MDBWDUBVGCKMHZ-UHFFFAOYSA-N -1 0 416.318 4.353 50 0 HIAARM Cc1ccc(NC(=O)c2c(NC(=O)C[C@H](C)CC(=O)[O-])sc3c2CCC3)cc1 ZINC000017081987 558813957 /nfs/dbraw/zinc/81/39/57/558813957.db2.gz MKVYFXWXLVRSGA-ZDUSSCGKSA-N -1 0 400.500 4.237 50 0 HIAARM CCc1c(C)sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1C(=O)Nc1ccccc1 ZINC000017089198 558817714 /nfs/dbraw/zinc/81/77/14/558817714.db2.gz IKEGSCASKFINEB-IRXDYDNUSA-N -1 0 412.511 4.477 50 0 HIAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCC2 ZINC000017089216 558817906 /nfs/dbraw/zinc/81/79/06/558817906.db2.gz BBRBLTWAGVHCFH-CABCVRRESA-N -1 0 412.511 4.319 50 0 HIAARM CCc1sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c(C(=O)OC)c1-c1ccccc1 ZINC000017089573 558818167 /nfs/dbraw/zinc/81/81/67/558818167.db2.gz AZXXACRFODKSTR-GJZGRUSLSA-N -1 0 413.495 4.370 50 0 HIAARM CCc1c(C)sc(NC(=O)C[C@@H](C)CC(=O)[O-])c1C(=O)Nc1ccccc1OC ZINC000017091460 558819995 /nfs/dbraw/zinc/81/99/95/558819995.db2.gz OMXRPYLUJIXBQX-GFCCVEGCSA-N -1 0 418.515 4.319 50 0 HIAARM C[C@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CC[C@@H](C)C2 ZINC000017092416 558820934 /nfs/dbraw/zinc/82/09/34/558820934.db2.gz SXYOMHWURAZQGK-KGLIPLIRSA-N -1 0 420.575 4.375 50 0 HIAARM O=S(=O)([N-]c1ccc(-c2noc(Cc3ccc(F)cc3)n2)cc1)c1cccs1 ZINC000033122891 558879568 /nfs/dbraw/zinc/87/95/68/558879568.db2.gz QNVBCEUDTBLIQM-UHFFFAOYSA-N -1 0 415.471 4.329 50 0 HIAARM O=S(=O)([N-]c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1)c1cccs1 ZINC000033122913 558879607 /nfs/dbraw/zinc/87/96/07/558879607.db2.gz UYAMIPATMRHIEE-UHFFFAOYSA-N -1 0 401.444 4.405 50 0 HIAARM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4c(C)noc4C)cc3)sc2c1 ZINC000033169212 558898991 /nfs/dbraw/zinc/89/89/91/558898991.db2.gz CEAOMQXTXOJSBL-UHFFFAOYSA-N -1 0 415.496 4.378 50 0 HIAARM CCS(=O)(=O)Nc1ccc(N(Cc2ccccc2)Cc2ccccc2)c(C(=O)[O-])c1 ZINC000033253484 558921558 /nfs/dbraw/zinc/92/15/58/558921558.db2.gz DUQGSCVXKDZTBN-UHFFFAOYSA-N -1 0 424.522 4.353 50 0 HIAARM CCCN(CCC)c1ccc(NS(=O)(=O)c2cc(C)cc(C)c2)cc1C(=O)[O-] ZINC000033253511 558921662 /nfs/dbraw/zinc/92/16/62/558921662.db2.gz CHPRZOUILQPIAQ-UHFFFAOYSA-N -1 0 404.532 4.429 50 0 HIAARM CCCCN(CC)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C)cc1C ZINC000033254002 558922402 /nfs/dbraw/zinc/92/24/02/558922402.db2.gz IEARIESLJNIHST-UHFFFAOYSA-N -1 0 404.532 4.429 50 0 HIAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1c(C)sc(C)c1-c1n[nH]c(C)c1C ZINC000033306748 559051795 /nfs/dbraw/zinc/05/17/95/559051795.db2.gz ASGGDMGOVUISID-UHFFFAOYSA-N -1 0 405.545 4.490 50 0 HIAARM COc1ccc2[nH]cc(CCNc3nnc(Cc4ccc(C(C)C)cc4)c(=O)[n-]3)c2c1 ZINC000004818446 559115954 /nfs/dbraw/zinc/11/59/54/559115954.db2.gz ZPMFNEYMQKKUFS-UHFFFAOYSA-N -1 0 417.513 4.024 50 0 HIAARM O=C([O-])c1ccc(Cl)c(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000004549696 560545284 /nfs/dbraw/zinc/54/52/84/560545284.db2.gz SOXYOJSSAMSOKR-UHFFFAOYSA-N -1 0 403.674 4.472 50 0 HIAARM Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc(O)c2)c1 ZINC000006373282 560724605 /nfs/dbraw/zinc/72/46/05/560724605.db2.gz ZUJPWCCXXXWOHL-UHFFFAOYSA-N -1 0 406.467 4.188 50 0 HIAARM Cc1c(NC(=S)NC(=O)c2ccc(COc3ccccc3)cc2)cccc1C(=O)[O-] ZINC000001131378 560727231 /nfs/dbraw/zinc/72/72/31/560727231.db2.gz SKYVEFZUKHSTLR-UHFFFAOYSA-N -1 0 420.490 4.399 50 0 HIAARM Cc1nc2[n-]c(C(c3ccccc3)c3ccccc3)nn2c(=O)c1Cc1ccccc1 ZINC000101823650 560802513 /nfs/dbraw/zinc/80/25/13/560802513.db2.gz KQBLGJBDEKHVFD-UHFFFAOYSA-N -1 0 406.489 4.497 50 0 HIAARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1CC(=O)Nc1ccccc1 ZINC000101831247 560802908 /nfs/dbraw/zinc/80/29/08/560802908.db2.gz HGFRENXIXKQMKV-UHFFFAOYSA-N -1 0 404.495 4.499 50 0 HIAARM Cc1nc(-n2[n-]c(C)c(CCC(=O)Nc3ccc(C)c(Cl)c3)c2=O)sc1C ZINC000101833329 560803153 /nfs/dbraw/zinc/80/31/53/560803153.db2.gz TVXOILOSBPHNDU-UHFFFAOYSA-N -1 0 404.923 4.493 50 0 HIAARM Cc1cccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccccc2Cl)c1 ZINC000101835962 560803486 /nfs/dbraw/zinc/80/34/86/560803486.db2.gz CIOYJEPBAXIWMZ-SFHVURJKSA-N -1 0 408.845 4.081 50 0 HIAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2[C@H](/C=C/c2ccccc2)C1 ZINC000101835923 560803498 /nfs/dbraw/zinc/80/34/98/560803498.db2.gz SFOKACUBAXMYFV-SCBHQAGPSA-N -1 0 420.856 4.437 50 0 HIAARM Cc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000101836296 560803526 /nfs/dbraw/zinc/80/35/26/560803526.db2.gz UTBOJBKAQRFYRH-GOSISDBHSA-N -1 0 408.845 4.081 50 0 HIAARM CCCCc1c(C)nc2[nH]c(N(Cc3cccc(Cl)c3)C(=O)CCC)nn2c1=O ZINC000101878483 560804262 /nfs/dbraw/zinc/80/42/62/560804262.db2.gz SATDJYVYRDHTHR-UHFFFAOYSA-N -1 0 415.925 4.055 50 0 HIAARM COc1ccc(-n2nc(C)c3c2NC(=O)CC3=C([O-])c2ccc(Cl)s2)cc1 ZINC000046057846 568426322 /nfs/dbraw/zinc/42/63/22/568426322.db2.gz WOGCABSFEXZRTD-CYBMUJFWSA-N -1 0 401.875 4.213 50 0 HIAARM COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(Cl)c4)c32)cc1O ZINC000049548400 568451725 /nfs/dbraw/zinc/45/17/25/568451725.db2.gz YBXJUDADTKSNKI-AWEZNQCLSA-N -1 0 412.829 4.017 50 0 HIAARM CC[C@@H](C)[C@H](NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1)C(=O)[O-] ZINC000020721470 568457956 /nfs/dbraw/zinc/45/79/56/568457956.db2.gz XGASKITWIRTBEA-PSLIRLAXSA-N -1 0 401.315 4.275 50 0 HIAARM Cc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000000710975 568465172 /nfs/dbraw/zinc/46/51/72/568465172.db2.gz HKOJLXXZRHTEOX-UHFFFAOYSA-N -1 0 424.478 4.055 50 0 HIAARM CCOc1cc2c(cc1OCC)[C@@H](CC(=O)[O-])N(C(=O)Nc1cccc(C)c1)CC2 ZINC000020515493 568622882 /nfs/dbraw/zinc/62/28/82/568622882.db2.gz KQZPRTWPUQLTFC-LJQANCHMSA-N -1 0 412.486 4.398 50 0 HIAARM O=C([O-])[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)Oc1ccccc1 ZINC000685939886 568722353 /nfs/dbraw/zinc/72/23/53/568722353.db2.gz VQLWJUHULQDQPH-QFIPXVFZSA-N -1 0 403.434 4.057 50 0 HIAARM Cc1cc(C)cc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2cccc(C(C)C)c2)c1 ZINC000096361109 568739001 /nfs/dbraw/zinc/73/90/01/568739001.db2.gz QSLVYDWQAVGZCE-UHFFFAOYSA-N -1 0 412.515 4.203 50 0 HIAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1-c1nnc(C2CC2)o1 ZINC000096379653 568741260 /nfs/dbraw/zinc/74/12/60/568741260.db2.gz LHQTZBVQCANUMN-UHFFFAOYSA-N -1 0 410.858 4.152 50 0 HIAARM CCSc1nc2sc3c(c2n2c(=S)[n-]nc12)CN(Cc1ccccc1)CC3 ZINC000096592126 568763142 /nfs/dbraw/zinc/76/31/42/568763142.db2.gz CXLYRYZNBCCBIW-UHFFFAOYSA-N -1 0 413.597 4.298 50 0 HIAARM C[C@@H]1CCc2sc3c(c2C1)c(=O)n(-c1ccc(Cl)cc1)c1nnc([S-])n31 ZINC000005898323 568828622 /nfs/dbraw/zinc/82/86/22/568828622.db2.gz CHEZOGNWIQJSHO-SECBINFHSA-N -1 0 402.932 4.162 50 0 HIAARM Cc1cc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)ccc1Br ZINC000012507895 568839942 /nfs/dbraw/zinc/83/99/42/568839942.db2.gz NYZDMAZRPRHRIU-UHFFFAOYSA-N -1 0 404.289 4.015 50 0 HIAARM Cn1cnnc1Sc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000012508599 568840120 /nfs/dbraw/zinc/84/01/20/568840120.db2.gz BMVKLRNUIDFGBD-UHFFFAOYSA-N -1 0 415.327 4.074 50 0 HIAARM O=C(NCc1ccco1)c1cc2ccccc2cc1[N-]S(=O)(=O)c1cccs1 ZINC000012583422 568865655 /nfs/dbraw/zinc/86/56/55/568865655.db2.gz MCBJHNYCCBOJJD-UHFFFAOYSA-N -1 0 412.492 4.225 50 0 HIAARM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccccc3SCc3ccsc3)cc2[nH]1 ZINC000012583915 568865674 /nfs/dbraw/zinc/86/56/74/568865674.db2.gz QBDGATXQAVDMLX-UHFFFAOYSA-N -1 0 417.537 4.011 50 0 HIAARM COC(=O)c1ccccc1S(=O)(=O)[N-]c1cc2oc3ccccc3c2cc1OC ZINC000003340580 568883728 /nfs/dbraw/zinc/88/37/28/568883728.db2.gz OWNDYLKMFIYJQA-UHFFFAOYSA-N -1 0 411.435 4.182 50 0 HIAARM O=C([O-])C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1Cl ZINC000007990190 568966860 /nfs/dbraw/zinc/96/68/60/568966860.db2.gz AQEISUSABGLCOU-CYBMUJFWSA-N -1 0 408.690 4.141 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)c4ccco4)cc3s2)cc1 ZINC000015729296 568979632 /nfs/dbraw/zinc/97/96/32/568979632.db2.gz NQUUBJFRUGVYDK-UHFFFAOYSA-N -1 0 413.480 4.251 50 0 HIAARM COC(=O)c1c(=O)c2cc(Cl)ccc2[n-]c1SCC(=O)Nc1ccccc1 ZINC000015731452 568981859 /nfs/dbraw/zinc/98/18/59/568981859.db2.gz OHFMHRHATFTRQG-UHFFFAOYSA-N -1 0 402.859 4.111 50 0 HIAARM CCCOc1ccc(-c2cccc([N-]S(=O)(=O)c3cc(F)ccc3F)c2)nn1 ZINC000015785234 569005369 /nfs/dbraw/zinc/00/53/69/569005369.db2.gz PNFFKVVEOYIIJC-UHFFFAOYSA-N -1 0 405.426 4.011 50 0 HIAARM O=C1OC(c2ccccc2)=N/C1=C/c1cc(Br)cc(Br)c1[O-] ZINC000001232694 569012578 /nfs/dbraw/zinc/01/25/78/569012578.db2.gz SRPURPRVWVIXRU-NTUHNPAUSA-N -1 0 423.060 4.262 50 0 HIAARM O=C(NCc1cccc(Cl)c1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006146923 569014548 /nfs/dbraw/zinc/01/45/48/569014548.db2.gz KWZCOEMBWCCSKB-UHFFFAOYSA-N -1 0 418.877 4.210 50 0 HIAARM CC[C@H](C)[C@@H](NC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000016043068 569028206 /nfs/dbraw/zinc/02/82/06/569028206.db2.gz XRGJSCAGGOPVAT-JEOXALJRSA-N -1 0 413.470 4.013 50 0 HIAARM Nc1ccc(S(=O)(=O)[N-]c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 ZINC000001040940 569030258 /nfs/dbraw/zinc/03/02/58/569030258.db2.gz HNURLKUWUBDXMD-UHFFFAOYSA-N -1 0 402.479 4.194 50 0 HIAARM COc1ccccc1-c1coc2c(c([O-])cc3c2[C@@H](c2ccco2)CC(=O)O3)c1=O ZINC000524729272 569051572 /nfs/dbraw/zinc/05/15/72/569051572.db2.gz LTNITONDPHZIHX-CYBMUJFWSA-N -1 0 404.374 4.208 50 0 HIAARM CCOc1ccc(S(=O)(=O)[N-]c2c[nH]nc2-c2ccccn2)cc1-c1ccccc1 ZINC000089269751 569053834 /nfs/dbraw/zinc/05/38/34/569053834.db2.gz YGMRFGSVORTOMB-UHFFFAOYSA-N -1 0 420.494 4.338 50 0 HIAARM Cc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(F)cc2)cc1 ZINC000064557791 569066890 /nfs/dbraw/zinc/06/68/90/569066890.db2.gz DYAXEBRHYIKOPD-FQEVSTJZSA-N -1 0 423.465 4.466 50 0 HIAARM C/C(=C/C(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2cc(C)ccc2C)cc1)C(=O)[O-] ZINC000035958443 569068321 /nfs/dbraw/zinc/06/83/21/569068321.db2.gz YJJKRWMDGNYJLZ-IRVMHKCDSA-N -1 0 412.511 4.392 50 0 HIAARM COC(=O)c1ccc(Nc2ncccc2S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000064757562 569091156 /nfs/dbraw/zinc/09/11/56/569091156.db2.gz ATVULZQJEPLIIF-UHFFFAOYSA-N -1 0 411.483 4.029 50 0 HIAARM Cc1nc([N-]S(=O)(=O)c2ccc(C)cc2)sc1NC(=O)Nc1ccccc1 ZINC000006720894 569098903 /nfs/dbraw/zinc/09/89/03/569098903.db2.gz UHIUJJKCJBERDE-UHFFFAOYSA-N -1 0 402.501 4.205 50 0 HIAARM COc1ccc(OC)c([N-]S(=O)(=O)c2c(C)sc(C)c2-c2cc(C)no2)c1 ZINC000064845476 569108030 /nfs/dbraw/zinc/10/80/30/569108030.db2.gz BOCGRPWGSLQTGI-UHFFFAOYSA-N -1 0 408.501 4.146 50 0 HIAARM Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)[N-]c1cccc(Br)c1 ZINC000064947357 569129334 /nfs/dbraw/zinc/12/93/34/569129334.db2.gz OXOXFOMHIJPSMK-UHFFFAOYSA-N -1 0 420.332 4.361 50 0 HIAARM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3noc(C4CCCC4)n3)cs2)c1 ZINC000065009802 569153422 /nfs/dbraw/zinc/15/34/22/569153422.db2.gz YGBYMIYDAXMGGK-UHFFFAOYSA-N -1 0 417.512 4.459 50 0 HIAARM CCOc1ccc([N-]S(=O)(=O)c2cc(-c3csc(C)n3)ccc2OC)cc1 ZINC000065060189 569163856 /nfs/dbraw/zinc/16/38/56/569163856.db2.gz BEQJIAMXVRTQCB-UHFFFAOYSA-N -1 0 404.513 4.327 50 0 HIAARM COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)[N-]c1ccc(C)c(N(C)C)c1 ZINC000006887743 569171324 /nfs/dbraw/zinc/17/13/24/569171324.db2.gz SIDBNPPOSWVPAV-UHFFFAOYSA-N -1 0 415.515 4.142 50 0 HIAARM C[C@@H]1CCc2c(sc3[nH]c(=O)c(C(=O)Nc4cccc(Cl)c4F)c([O-])c23)C1 ZINC000065150525 569185000 /nfs/dbraw/zinc/18/50/00/569185000.db2.gz UTZQLVZZNRWRTB-MRVPVSSYSA-N -1 0 406.866 4.465 50 0 HIAARM Cc1ccc(C)c(-n2c(=O)c3c(nc2SCC(=O)[O-])sc2c3CCCC2)c1 ZINC000006935766 569186403 /nfs/dbraw/zinc/18/64/03/569186403.db2.gz MKDHZCCPXBLFHL-UHFFFAOYSA-N -1 0 400.525 4.120 50 0 HIAARM C[C@@H](NC(=O)c1c([O-])c2sccc2n(Cc2ccccc2)c1=O)c1ccccc1 ZINC000065215674 569197563 /nfs/dbraw/zinc/19/75/63/569197563.db2.gz UXZMGTMBUFKAGO-OAHLLOKOSA-N -1 0 404.491 4.308 50 0 HIAARM Cc1nc(-c2ccccc2)sc1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000036580029 569202999 /nfs/dbraw/zinc/20/29/99/569202999.db2.gz KDXNUTYVXWILAE-GOSISDBHSA-N -1 0 405.479 4.026 50 0 HIAARM Cc1ccc(-n2ncc3c2[nH]c(=O)c(-c2nc(-c4ccc(C)c(C)c4)no2)c3[O-])cc1 ZINC000065256952 569208595 /nfs/dbraw/zinc/20/85/95/569208595.db2.gz YUYTWROGUHHYAB-UHFFFAOYSA-N -1 0 413.437 4.062 50 0 HIAARM Cc1ccc(Nc2nc(Nc3ccc(C)cc3C)nc(N[C@H](C)C(=O)[O-])n2)c(C)c1 ZINC000007498928 569242720 /nfs/dbraw/zinc/24/27/20/569242720.db2.gz HKXYKYCXTPTWCC-MRXNPFEDSA-N -1 0 406.490 4.477 50 0 HIAARM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C2CCCC2)CC3)s1 ZINC000013696323 569257086 /nfs/dbraw/zinc/25/70/86/569257086.db2.gz JKLUUQPJCPPFNJ-UHFFFAOYSA-N -1 0 404.557 4.191 50 0 HIAARM Cc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000017144197 569275486 /nfs/dbraw/zinc/27/54/86/569275486.db2.gz MDPYDADVMBZYRK-IYOUNJFTSA-N -1 0 400.548 4.127 50 0 HIAARM CC[C@@H](NC(=O)CCc1c(C)c2cc3c(cc2oc1=O)occ3C(C)(C)C)C(=O)[O-] ZINC000002160063 569290605 /nfs/dbraw/zinc/29/06/05/569290605.db2.gz LMLDZFXUEMYLPN-QGZVFWFLSA-N -1 0 413.470 4.057 50 0 biogenic HIAARM O=C([N-]c1nc(-c2ccccc2)c2cc(Cl)ccc2nc1=O)OCc1ccccc1 ZINC000328578670 569294158 /nfs/dbraw/zinc/29/41/58/569294158.db2.gz RZNDAGLMEVEFAI-UHFFFAOYSA-N -1 0 417.852 4.481 50 0 HIAARM O=C([O-])C1CCN(C(=O)c2ccccc2Oc2cccc(Br)c2)CC1 ZINC000170671105 569297688 /nfs/dbraw/zinc/29/76/88/569297688.db2.gz CCAGNQNMWVNOPC-UHFFFAOYSA-N -1 0 404.260 4.178 50 0 HIAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(F)cc1F)c1ccccc1 ZINC000002274545 569327664 /nfs/dbraw/zinc/32/76/64/569327664.db2.gz OASJSEBFIOYJOY-UHFFFAOYSA-N -1 0 412.421 4.452 50 0 HIAARM O=C(c1ccccc1)c1ccc2c(c1[O-])[C@@H](c1coc3ccccc3c1=O)CC(=O)O2 ZINC000253396267 569365251 /nfs/dbraw/zinc/36/52/51/569365251.db2.gz AYGIFSFTVJUCOI-QGZVFWFLSA-N -1 0 412.397 4.171 50 0 HIAARM O=C([O-])c1cccc(NC2=C(Cl)C(=O)N(c3cc(Cl)ccc3Cl)C2=O)c1 ZINC000000706911 569384246 /nfs/dbraw/zinc/38/42/46/569384246.db2.gz UWGAEKVCSXAIFC-UHFFFAOYSA-N -1 0 411.628 4.127 50 0 HIAARM COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000008699163 569390127 /nfs/dbraw/zinc/39/01/27/569390127.db2.gz BJKZYLDYXMQFKW-QFIPXVFZSA-N -1 0 403.434 4.360 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)CC2CCCC2)c1 ZINC000013099001 569409182 /nfs/dbraw/zinc/40/91/82/569409182.db2.gz HQYAWDBAFAJHKO-UHFFFAOYSA-N -1 0 418.515 4.023 50 0 HIAARM COc1ccc(Nc2nc(CN3CCCCC3)nc3sc(C(=O)[O-])c(C)c32)cc1 ZINC000008718255 571105746 /nfs/dbraw/zinc/10/57/46/571105746.db2.gz ISTPGPSQGAXPFS-UHFFFAOYSA-N -1 0 412.515 4.436 50 0 HIAARM CC(C)CCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccccc3Cl)ccc21 ZINC000008840919 571124024 /nfs/dbraw/zinc/12/40/24/571124024.db2.gz ISWZSXQQQKUATI-UHFFFAOYSA-N -1 0 406.935 4.466 50 0 HIAARM Cc1ccc2c(nc3s/c(=C/c4ccc(-c5ccc(C(=O)[O-])cc5)o4)c(=O)n32)c1C ZINC000008854944 571127619 /nfs/dbraw/zinc/12/76/19/571127619.db2.gz HNJODXULZZVSEA-YBFXNURJSA-N -1 0 416.458 4.032 50 0 HIAARM CN1c2ccccc2Oc2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2C1=O ZINC000008961021 571189346 /nfs/dbraw/zinc/18/93/46/571189346.db2.gz DWOLPZHALQUJKN-UHFFFAOYSA-N -1 0 416.405 4.148 50 0 HIAARM O=C1Nc2ccccc2Oc2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc21 ZINC000008961190 571189383 /nfs/dbraw/zinc/18/93/83/571189383.db2.gz IGRRGBDRWFJXJV-UHFFFAOYSA-N -1 0 402.378 4.124 50 0 HIAARM O=C(N[C@H]1CCCc2ccccc21)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000040142942 571193520 /nfs/dbraw/zinc/19/35/20/571193520.db2.gz BMBIVCRSJNPCPB-IBGZPJMESA-N -1 0 412.536 4.356 50 0 HIAARM O=S(=O)([N-]c1ccc(Cn2cccn2)cc1)c1cc(C(F)(F)F)ccc1Cl ZINC000040146653 571196435 /nfs/dbraw/zinc/19/64/35/571196435.db2.gz MVSWLPSGSUEHBW-UHFFFAOYSA-N -1 0 415.824 4.404 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)c2ccccc2)CC3)s1 ZINC000008977485 571198126 /nfs/dbraw/zinc/19/81/26/571198126.db2.gz XCAINXNFDLIPGT-UHFFFAOYSA-N -1 0 412.536 4.056 50 0 HIAARM O=C([O-])c1cc(N2C(=S)N=NC2c2ccc(Br)cc2)ccc1Cl ZINC000009061206 571217702 /nfs/dbraw/zinc/21/77/02/571217702.db2.gz PMDPORHDPISPPO-UHFFFAOYSA-N -1 0 410.680 4.337 50 0 HIAARM CCCN1c2ccc([N-]S(=O)(=O)c3ccc(C)s3)cc2OCC(C)(C)C1=O ZINC000009167668 571233125 /nfs/dbraw/zinc/23/31/25/571233125.db2.gz IMSWGJMKLPQBMH-UHFFFAOYSA-N -1 0 408.545 4.019 50 0 HIAARM O=C(C=Cc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000069815802 571245553 /nfs/dbraw/zinc/24/55/53/571245553.db2.gz XZQUQTDOWFBSAK-KRXBUXKQSA-N -1 0 409.751 4.354 50 0 HIAARM COc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000009442683 571259296 /nfs/dbraw/zinc/25/92/96/571259296.db2.gz SFZPIXOAYIBEJC-UHFFFAOYSA-N -1 0 422.915 4.463 50 0 HIAARM CCOc1ccc([N-]S(=O)(=O)c2c(-c3ccccc3)csc2C(=O)OC)cc1 ZINC000009645780 571276347 /nfs/dbraw/zinc/27/63/47/571276347.db2.gz HPYBSCYKDMIKLP-UHFFFAOYSA-N -1 0 417.508 4.401 50 0 HIAARM CCOC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000009646516 571276392 /nfs/dbraw/zinc/27/63/92/571276392.db2.gz ANGZUGYVNCRBJO-UHFFFAOYSA-N -1 0 409.460 4.027 50 0 HIAARM Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c(C)n1C ZINC000009685344 571279823 /nfs/dbraw/zinc/27/98/23/571279823.db2.gz URTJLDNFJYKMAW-UHFFFAOYSA-N -1 0 417.575 4.076 50 0 HIAARM O=C(CCc1ccccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000010010912 571294034 /nfs/dbraw/zinc/29/40/34/571294034.db2.gz IXLRJAJMBKKBBW-UHFFFAOYSA-N -1 0 421.931 4.169 50 0 HIAARM O=C([O-])C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(O)c1 ZINC000002387016 571315703 /nfs/dbraw/zinc/31/57/03/571315703.db2.gz LZJDAHKCUYUTCN-JOCHJYFZSA-N -1 0 403.434 4.447 50 0 HIAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1cccc(C(=O)Nc3cccc(Cl)c3)c1)C2=O ZINC000022064146 846526778 /nfs/dbraw/zinc/52/67/78/846526778.db2.gz PIUWZPZFSWATKP-UHFFFAOYSA-N -1 0 420.808 4.091 50 0 HIAARM O=S(=O)(/C=C/c1ccccc1Cl)[N-]c1cc2ccc(Br)cn2n1 ZINC000170617376 853667565 /nfs/dbraw/zinc/66/75/65/853667565.db2.gz RYOIHPSCZJPUKV-BQYQJAHWSA-N -1 0 412.696 4.163 50 0 HIAARM C=C(C)CN=c1scc(-c2ccco2)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000254874163 854216265 /nfs/dbraw/zinc/21/62/65/854216265.db2.gz KCHUHLHMSCPPON-UHFFFAOYSA-N -1 0 418.862 4.436 50 0 HIAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2ccco2)CCC3)s1 ZINC000005136526 132302765 /nfs/dbraw/zinc/30/27/65/132302765.db2.gz SYUAIAPBOMSVKY-UHFFFAOYSA-N -1 0 402.497 4.043 50 0 HIAARM Cc1ccccc1N1C(=O)c2ccccc2/C(=C/c2ccc(OCC(=O)[O-])cc2)C1=O ZINC000006279638 132310133 /nfs/dbraw/zinc/31/01/33/132310133.db2.gz HHFGBASWBPGKKK-STZFKDTASA-N -1 0 413.429 4.186 50 0 HIAARM CC[C@@H](C)[C@H](NC(=O)c1sc(-c2ccc(OC(F)(F)F)cc2)nc1C)C(=O)[O-] ZINC000040284698 522382466 /nfs/dbraw/zinc/38/24/66/522382466.db2.gz JZLHKHOFDIIOIH-RNCFNFMXSA-N -1 0 416.421 4.246 50 0 HIAARM COc1ccc(OC(=O)[C@H](C(=O)[O-])c2ccc(Oc3ccc(OC)cc3)cc2)cc1 ZINC000021982878 524781447 /nfs/dbraw/zinc/78/14/47/524781447.db2.gz MBSQAPDFHUYSPC-NRFANRHFSA-N -1 0 408.406 4.270 50 0 HIAARM Cc1ccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1C ZINC000032032438 525095893 /nfs/dbraw/zinc/09/58/93/525095893.db2.gz SROJVZKINAMNNZ-UHFFFAOYSA-N -1 0 400.525 4.347 50 0 HIAARM COc1ccc2[nH]cc(-c3csc(NC(=O)Cc4ccccc4C(=O)[O-])n3)c2c1 ZINC000072400583 525485650 /nfs/dbraw/zinc/48/56/50/525485650.db2.gz JRPOEWQTRYNYFJ-UHFFFAOYSA-N -1 0 407.451 4.179 50 0 HIAARM O=C([O-])c1cc(-c2ccccc2O)nc2n[nH]c(-c3ccc(Br)cc3)c21 ZINC000020492180 526342135 /nfs/dbraw/zinc/34/21/35/526342135.db2.gz XTKNIBZWTYHVOR-UHFFFAOYSA-N -1 0 410.227 4.458 50 0 HIAARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(N2CCCCC2)cc1 ZINC000000977376 526941160 /nfs/dbraw/zinc/94/11/60/526941160.db2.gz QYOAQOMFRLRVLZ-SAPNQHFASA-N -1 0 409.486 4.488 50 0 HIAARM O=C(Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)Nc1cccc(Cl)c1 ZINC000032032583 527237251 /nfs/dbraw/zinc/23/72/51/527237251.db2.gz MZRUPOOPIPBHBR-UHFFFAOYSA-N -1 0 406.916 4.384 50 0 HIAARM O=S(=O)([N-]c1ccc(OCc2cccnc2)c(Cl)c1)c1ccc(F)cc1F ZINC000032833754 527249559 /nfs/dbraw/zinc/24/95/59/527249559.db2.gz GJMZTAUDLWNBJS-UHFFFAOYSA-N -1 0 410.829 4.393 50 0 HIAARM O=S(=O)([N-]c1ncccc1OCc1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC000000643587 557033927 /nfs/dbraw/zinc/03/39/27/557033927.db2.gz VAXPYHOANLCSRD-UHFFFAOYSA-N -1 0 424.400 4.360 50 0 HIAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3cc(C)cc(C)c3)cc2)no1 ZINC000001027679 557145591 /nfs/dbraw/zinc/14/55/91/557145591.db2.gz ZADFOSUSJQDMIF-UHFFFAOYSA-N -1 0 400.460 4.045 50 0 HIAARM COc1ccc(NC(=O)c2c(C)scc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001028649 557145947 /nfs/dbraw/zinc/14/59/47/557145947.db2.gz FZZONPIDEJBNQV-UHFFFAOYSA-N -1 0 416.524 4.427 50 0 HIAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(Br)c3ccccc32)c1 ZINC000001113904 557185689 /nfs/dbraw/zinc/18/56/89/557185689.db2.gz VGHWQPDSLVBHGG-UHFFFAOYSA-N -1 0 422.300 4.420 50 0 HIAARM O=C([O-])[C@H](CCc1ccc(O)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002560019 557356243 /nfs/dbraw/zinc/35/62/43/557356243.db2.gz FZGWIJTZHIPMMG-QHCPKHFHSA-N -1 0 417.461 4.317 50 0 HIAARM COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000002767147 557382670 /nfs/dbraw/zinc/38/26/70/557382670.db2.gz YSHCRIORPHRARX-JKSUJKDBSA-N -1 0 413.495 4.424 50 0 HIAARM O=C([O-])c1ccccc1NC(=O)c1cc(NC(=O)Cc2ccccc2)ccc1Cl ZINC000002826559 557397174 /nfs/dbraw/zinc/39/71/74/557397174.db2.gz IJCKHPMUJJYZSH-UHFFFAOYSA-N -1 0 408.841 4.472 50 0 HIAARM O=C([O-])c1cc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)ccc1Cl ZINC000003273267 557466398 /nfs/dbraw/zinc/46/63/98/557466398.db2.gz GOSFAOHTFPQBIV-UHFFFAOYSA-N -1 0 401.871 4.434 50 0 HIAARM O=C([O-])CCCC(=O)Nc1ccccc1SCc1noc(-c2cccs2)n1 ZINC000004390598 557550944 /nfs/dbraw/zinc/55/09/44/557550944.db2.gz PBRXCNNXGDAABY-UHFFFAOYSA-N -1 0 403.485 4.284 50 0 HIAARM CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000004614258 557572550 /nfs/dbraw/zinc/57/25/50/557572550.db2.gz GZMWRCRHFBWVNU-RDBSUJKOSA-N -1 0 420.575 4.218 50 0 HIAARM CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000004614259 557572611 /nfs/dbraw/zinc/57/26/11/557572611.db2.gz GZMWRCRHFBWVNU-IHRRRGAJSA-N -1 0 420.575 4.218 50 0 HIAARM O=C([O-])CC12C[C@H]3C[C@@H](C1)CC(n1ncc(Nc4ccccc4)c(Cl)c1=O)(C3)C2 ZINC000004909703 557612282 /nfs/dbraw/zinc/61/22/82/557612282.db2.gz ILZPHDJNNMINHR-BXBLUCELSA-N -1 0 413.905 4.411 50 0 HIAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(Br)ccc1OCC ZINC000006328273 557699300 /nfs/dbraw/zinc/69/93/00/557699300.db2.gz UPOTVNIHBNBUJE-UHFFFAOYSA-N -1 0 400.294 4.047 50 0 HIAARM Cn1cc(-c2nnc([N-]c3ccn(Cc4c(Cl)cccc4Cl)n3)s2)cn1 ZINC000002730993 557754320 /nfs/dbraw/zinc/75/43/20/557754320.db2.gz KLAHTLTUJPCNIN-UHFFFAOYSA-N -1 0 406.302 4.234 50 0 HIAARM Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000002804794 557763606 /nfs/dbraw/zinc/76/36/06/557763606.db2.gz LSMGENBMFHIOKC-UHFFFAOYSA-N -1 0 411.861 4.281 50 0 HIAARM CCOc1cc(S(=O)(=O)[N-]c2ccccc2OCC)ccc1Br ZINC000008132584 557773118 /nfs/dbraw/zinc/77/31/18/557773118.db2.gz JYTHLKYSTHCRAW-UHFFFAOYSA-N -1 0 400.294 4.047 50 0 HIAARM CCOc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)[O-])c2)cc1 ZINC000008190317 557774888 /nfs/dbraw/zinc/77/48/88/557774888.db2.gz BKYFFMKEZCFBIB-UHFFFAOYSA-N -1 0 404.422 4.288 50 0 HIAARM O=C(CCCCCn1c(=O)c2sccc2[n-]c1=S)NCCc1ccccc1 ZINC000003059180 557790809 /nfs/dbraw/zinc/79/08/09/557790809.db2.gz DFAIALAJBUSVLN-UHFFFAOYSA-N -1 0 401.557 4.040 50 0 HIAARM COc1cccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CC(=O)[O-])c1 ZINC000009196181 557827729 /nfs/dbraw/zinc/82/77/29/557827729.db2.gz CTNRDFOTOJCFMD-XMMPIXPASA-N -1 0 412.445 4.473 50 0 HIAARM COc1ccc([C@H]2CC(=O)c3cnc([N-]c4nc(C)c5ccccc5n4)nc3C2)cc1 ZINC000009245633 557832705 /nfs/dbraw/zinc/83/27/05/557832705.db2.gz ARMHXEKGJSSWKB-MRXNPFEDSA-N -1 0 411.465 4.393 50 0 HIAARM CCc1nc2sc([C@@H](c3cccc(Br)c3)N3CCCCC3)c([O-])n2n1 ZINC000022853042 557840020 /nfs/dbraw/zinc/84/00/20/557840020.db2.gz OROLCLMOPWBBSV-OAHLLOKOSA-N -1 0 421.364 4.397 50 0 HIAARM CCCSc1nnc([N-]C(=O)c2cc(-c3ccc4c(c3)C[C@H](C)O4)on2)s1 ZINC000021786117 558448569 /nfs/dbraw/zinc/44/85/69/558448569.db2.gz TZVIFVUHJRKIJL-JTQLQIEISA-N -1 0 402.501 4.271 50 0 HIAARM COc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1Br ZINC000004407911 558501837 /nfs/dbraw/zinc/50/18/37/558501837.db2.gz RYEQMICTJAAFTQ-AWEZNQCLSA-N -1 0 412.667 4.057 50 0 HIAARM CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3cc(Cl)ccc3[O-])sc2C1 ZINC000022761880 558508263 /nfs/dbraw/zinc/50/82/63/558508263.db2.gz YUDDPLBVZDZZFW-UHFFFAOYSA-N -1 0 409.895 4.048 50 0 HIAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccc(Cl)c2ccccc12 ZINC000013260061 558527980 /nfs/dbraw/zinc/52/79/80/558527980.db2.gz CYIBXLIIIHJDLP-FQEVSTJZSA-N -1 0 422.868 4.165 50 0 HIAARM CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2SCC(F)(F)F)c1 ZINC000023054809 558532110 /nfs/dbraw/zinc/53/21/10/558532110.db2.gz VBSWHIMORTWYIU-UHFFFAOYSA-N -1 0 418.462 4.409 50 0 HIAARM O=C([O-])c1ccc(-c2ccc(/C=C3/NC(=O)N(Cc4ccc(Cl)cc4)C3=O)o2)cc1 ZINC000013546659 558538125 /nfs/dbraw/zinc/53/81/25/558538125.db2.gz INDRGGHPWDPGTQ-WOJGMQOQSA-N -1 0 422.824 4.391 50 0 HIAARM Cc1ccc2nc(-c3ccc(N4C(=O)[C@H]5CC=CC[C@@H]5C4=O)cc3)cc(C(=O)[O-])c2c1 ZINC000013856129 558598211 /nfs/dbraw/zinc/59/82/11/558598211.db2.gz CSTSPRRBUNBSEX-ROUUACIJSA-N -1 0 412.445 4.364 50 0 HIAARM Cc1c2c(cc(=O)n1Cc1ccc(Cl)cc1)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000015107306 558723228 /nfs/dbraw/zinc/72/32/28/558723228.db2.gz VRBUOTNQQMMGTM-UHFFFAOYSA-N -1 0 422.897 4.100 50 0 HIAARM O=C([O-])c1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2Cl)cc1 ZINC000015746728 558751654 /nfs/dbraw/zinc/75/16/54/558751654.db2.gz YDAUORWJRAIGDR-XSFVSMFZSA-N -1 0 420.852 4.448 50 0 HIAARM Cc1cc([O-])c(CC(Cc2c(O)cc(C)oc2=O)c2ccc(C(C)C)cc2)c(=O)o1 ZINC000016756410 558805832 /nfs/dbraw/zinc/80/58/32/558805832.db2.gz HKBNBEVFQIPOJH-UHFFFAOYSA-N -1 0 410.466 4.313 50 0 HIAARM Cc1ccc2cc3c([N-]S(=O)(=O)c4ccc(F)cc4)nn(CC(C)C)c3nc2c1 ZINC000016994926 558811345 /nfs/dbraw/zinc/81/13/45/558811345.db2.gz XKEWXFGQEFDRFO-UHFFFAOYSA-N -1 0 412.490 4.489 50 0 HIAARM COc1ccccc1NC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)CC(=O)[O-] ZINC000017082875 558815219 /nfs/dbraw/zinc/81/52/19/558815219.db2.gz HMMHQOJOPDCATR-NSHDSACASA-N -1 0 404.488 4.065 50 0 HIAARM O=C([O-])CCCC(=O)Nc1scc(-c2ccccc2)c1C(=O)NCc1ccco1 ZINC000017089153 558817719 /nfs/dbraw/zinc/81/77/19/558817719.db2.gz SJAJBASEOQGJCO-UHFFFAOYSA-N -1 0 412.467 4.132 50 0 HIAARM CC(=O)c1cccc(NC(=O)c2ccsc2NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC000017089851 558818411 /nfs/dbraw/zinc/81/84/11/558818411.db2.gz KPKVUUNAYPISBG-HZPDHXFCSA-N -1 0 414.483 4.033 50 0 HIAARM C[C@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(=O)NC1CC1)CC[C@@H](C(C)(C)C)C2 ZINC000017092404 558820849 /nfs/dbraw/zinc/82/08/49/558820849.db2.gz BGBSVOSLTMPLKU-QWHCGFSZSA-N -1 0 420.575 4.231 50 0 HIAARM COC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)CSCC(=O)[O-] ZINC000017092759 558821211 /nfs/dbraw/zinc/82/12/11/558821211.db2.gz FXXUMQXTCMLQHQ-UHFFFAOYSA-N -1 0 421.540 4.256 50 0 HIAARM COc1cc(/C=C2\C(=O)[N-]N(c3ccc(C)cc3)C2=O)ccc1OCc1ccccc1 ZINC000001192322 558837113 /nfs/dbraw/zinc/83/71/13/558837113.db2.gz XDHRBFWYOKHGOR-KGENOOAVSA-N -1 0 414.461 4.044 50 0 HIAARM CCN(CC)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1C(=O)[O-] ZINC000033253658 558921987 /nfs/dbraw/zinc/92/19/87/558921987.db2.gz VLIXGUNYVGNYLZ-UHFFFAOYSA-N -1 0 404.532 4.329 50 0 HIAARM Cc1ccc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N(C)Cc2ccccc2)c1 ZINC000033253905 558922006 /nfs/dbraw/zinc/92/20/06/558922006.db2.gz TXCJOFSOCMDHNG-UHFFFAOYSA-N -1 0 424.522 4.439 50 0 HIAARM CCCCN(CC)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(CC)cc1 ZINC000033254008 558922375 /nfs/dbraw/zinc/92/23/75/558922375.db2.gz DXSYSTPAJCWYID-UHFFFAOYSA-N -1 0 404.532 4.374 50 0 HIAARM CCCCN(CC)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C)ccc1C ZINC000033254001 558922388 /nfs/dbraw/zinc/92/23/88/558922388.db2.gz WSWQGBRKYCUIRT-UHFFFAOYSA-N -1 0 404.532 4.429 50 0 HIAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(-c3ccc4ccccc4c3)[nH]n2)c1 ZINC000097117230 558996106 /nfs/dbraw/zinc/99/61/06/558996106.db2.gz PAWNGOSLPVQJJL-UHFFFAOYSA-N -1 0 409.467 4.048 50 0 HIAARM O=C(N[C@H]1CCCc2ccccc21)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000004732608 559033322 /nfs/dbraw/zinc/03/33/22/559033322.db2.gz TZCFFCQOVUXQTO-IBGZPJMESA-N -1 0 412.536 4.356 50 0 HIAARM O=C([O-])[C@@H]1ON(c2ccccc2)[C@@H](c2ccccc2)[C@H]1C(=O)Nc1ccc(F)cc1 ZINC000004770160 559055647 /nfs/dbraw/zinc/05/56/47/559055647.db2.gz ONDFJSDDIDXXQC-QHAWAJNXSA-N -1 0 406.413 4.027 50 0 HIAARM CCCn1c(=O)c(C(=O)Nc2cccc(Br)c2)c([O-])c2ccccc21 ZINC000100658269 559137397 /nfs/dbraw/zinc/13/73/97/559137397.db2.gz ASKLBIJDPSABNE-UHFFFAOYSA-N -1 0 401.260 4.132 50 0 HIAARM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2Br)c1)c1ccco1 ZINC000023397314 559173758 /nfs/dbraw/zinc/17/37/58/559173758.db2.gz IILRURFLLZCQJL-UHFFFAOYSA-N -1 0 421.272 4.095 50 0 HIAARM O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1Cl)c1ccncc1 ZINC000033676886 559227993 /nfs/dbraw/zinc/22/79/93/559227993.db2.gz MSNPSHZWVZCSIY-UHFFFAOYSA-N -1 0 422.293 4.442 50 0 HIAARM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3c(C)nn(C)c3Cl)ccc21 ZINC000033761596 559242520 /nfs/dbraw/zinc/24/25/20/559242520.db2.gz KNIOSNXPCVERGS-UHFFFAOYSA-N -1 0 402.907 4.311 50 0 HIAARM CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000005121361 559247866 /nfs/dbraw/zinc/24/78/66/559247866.db2.gz MYDNPWVSXJRKLB-UHFFFAOYSA-N -1 0 400.294 4.047 50 0 HIAARM CC[C@H](C)[C@@H](NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)[O-] ZINC000011867579 559264558 /nfs/dbraw/zinc/26/45/58/559264558.db2.gz RTMWZVZZSDUVRP-WIUDPPPLSA-N -1 0 413.470 4.013 50 0 HIAARM COc1ccccc1[C@@H]1c2c(O)n(-c3cccc(C)c3)c(O)c2ON1c1ccccc1 ZINC000136045496 559276524 /nfs/dbraw/zinc/27/65/24/559276524.db2.gz RMNAEOOPLMGPFF-YTFSRNRJSA-N -1 0 414.461 4.055 50 0 HIAARM Cc1nc(CCNC(=O)OCC2c3ccccc3-c3ccccc32)sc1C(=O)[O-] ZINC000309581734 560770560 /nfs/dbraw/zinc/77/05/60/560770560.db2.gz ZMAYXELJHIDUHU-UHFFFAOYSA-N -1 0 408.479 4.231 50 0 HIAARM COc1ccc(C)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000018211828 560784686 /nfs/dbraw/zinc/78/46/86/560784686.db2.gz DKFOEOCQRDBVKV-UHFFFAOYSA-N -1 0 402.497 4.118 50 0 HIAARM Cc1ccc(-n2nc3c4cc(C(=O)N5CCCCC5)ccc4[nH]cc-3c2=O)cc1C ZINC000101282141 560790518 /nfs/dbraw/zinc/79/05/18/560790518.db2.gz XPIBVRATVWATOW-UHFFFAOYSA-N -1 0 400.482 4.062 50 0 HIAARM Cc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@H]2/C=C/c1ccccc1 ZINC000101299796 560791164 /nfs/dbraw/zinc/79/11/64/560791164.db2.gz HFDMKZZTLNASFJ-FMQWLBJXSA-N -1 0 400.438 4.092 50 0 HIAARM CCn1c(=O)c(-c2nc(-c3ccccc3Br)no2)c([O-])c2ccccc21 ZINC000101725444 560799850 /nfs/dbraw/zinc/79/98/50/560799850.db2.gz IOLYLPWBBGDACA-UHFFFAOYSA-N -1 0 412.243 4.207 50 0 HIAARM CCCNC(=O)CCc1c(C)[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O ZINC000101833120 560803009 /nfs/dbraw/zinc/80/30/09/560803009.db2.gz RHTYKLHZECMGBG-UHFFFAOYSA-N -1 0 404.923 4.122 50 0 HIAARM CCc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3/C=C/c2ccccc2)cc1 ZINC000101835889 560803487 /nfs/dbraw/zinc/80/34/87/560803487.db2.gz YHXWOGJFMCSFIP-YFPIXMDGSA-N -1 0 414.465 4.346 50 0 HIAARM Cc1cc(C)cc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3/C=C/c2ccccc2)c1 ZINC000102820661 560829586 /nfs/dbraw/zinc/82/95/86/560829586.db2.gz XYQRIYXFOZXMGP-CSHXORCISA-N -1 0 414.465 4.401 50 0 HIAARM CCCCn1nc([N-]S(=O)(=O)c2ccc(OC)cc2)c2cc3ccccc3nc21 ZINC000005323046 560852049 /nfs/dbraw/zinc/85/20/49/560852049.db2.gz BMIOVYCMBFGQOH-UHFFFAOYSA-N -1 0 410.499 4.194 50 0 HIAARM C[C@@H]1C[C@H](C)[C@@H]2N(C1)c1c(F)cccc1C[C@@]21C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000025185316 560891362 /nfs/dbraw/zinc/89/13/62/560891362.db2.gz ONVIKMVYVZZACB-DOVCQFDRSA-N -1 0 421.472 4.342 50 0 HIAARM COc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(Cl)cc4)c32)cc1O ZINC000049545707 568451330 /nfs/dbraw/zinc/45/13/30/568451330.db2.gz JLVWWBVMMRINHF-CQSZACIVSA-N -1 0 412.829 4.017 50 0 HIAARM COc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(Cl)c4)c32)cc1O ZINC000049548402 568451673 /nfs/dbraw/zinc/45/16/73/568451673.db2.gz YBXJUDADTKSNKI-CQSZACIVSA-N -1 0 412.829 4.017 50 0 HIAARM O=C([O-])c1cccc(NC2=N[C@H]3C=CC(Br)=C[C@H]3C(c3ccccc3)=N2)c1 ZINC000049688567 568453200 /nfs/dbraw/zinc/45/32/00/568453200.db2.gz LHOBALDGMQFXPX-MSOLQXFVSA-N -1 0 422.282 4.489 50 0 HIAARM CCOc1cc(C(=O)[O-])cc(I)c1OCc1ccc(F)cc1 ZINC000216833937 568468113 /nfs/dbraw/zinc/46/81/13/568468113.db2.gz PIAIHRSZWRVOCN-UHFFFAOYSA-N -1 0 416.186 4.106 50 0 HIAARM Cc1cccc2cc([C@@H]3CC(c4ccco4)=NN3C(=O)CCC(=O)[O-])c(Cl)nc12 ZINC000000798798 568483077 /nfs/dbraw/zinc/48/30/77/568483077.db2.gz XJDQDRIZVOCAOC-INIZCTEOSA-N -1 0 411.845 4.332 50 0 HIAARM C[Si](C)(C)c1c(Cl)c(C(=O)[O-])c(Cl)c([Si](C)(C)C)c1[Si](C)(C)C ZINC000219790514 568498558 /nfs/dbraw/zinc/49/85/58/568498558.db2.gz YNAAOKONGRDYMS-UHFFFAOYSA-N -1 0 407.562 4.327 50 0 HIAARM C[C@@]12C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@@H]1C1c3ccccc3C2c2ccccc21 ZINC000000828205 568500202 /nfs/dbraw/zinc/50/02/02/568500202.db2.gz AMDPEQKHSLHQMI-HNFJXWQSSA-N -1 0 409.441 4.172 50 0 HIAARM O=S(=O)([N-]c1cccc(-c2nnc(-c3ccccc3)o2)c1)c1cc(F)ccc1F ZINC000021358874 568689949 /nfs/dbraw/zinc/68/99/49/568689949.db2.gz UETJJAGXIIKFAD-UHFFFAOYSA-N -1 0 413.405 4.483 50 0 HIAARM Cc1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(O)cc5)coc4c32)o1 ZINC000096114414 568693868 /nfs/dbraw/zinc/69/38/68/568693868.db2.gz LOCDWFDMOXEKNU-CQSZACIVSA-N -1 0 404.374 4.214 50 0 HIAARM CC1(C)CCc2cc(CC3N=NC(=S)N3Cc3cccc(C(=O)[O-])c3)ccc2O1 ZINC000012390715 568695161 /nfs/dbraw/zinc/69/51/61/568695161.db2.gz JMUQQALRDMZMLJ-UHFFFAOYSA-N -1 0 409.511 4.008 50 0 HIAARM O=C([O-])C[C@@H](NC(=O)c1ncoc1-c1cccs1)c1cccc(Br)c1 ZINC000238169630 568726146 /nfs/dbraw/zinc/72/61/46/568726146.db2.gz SVYHEAMMWQKHMO-GFCCVEGCSA-N -1 0 421.272 4.111 50 0 HIAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3n[nH]c(C)c3C)sc2C)c1 ZINC000096341475 568736881 /nfs/dbraw/zinc/73/68/81/568736881.db2.gz FKOOBOPSNWFOEZ-UHFFFAOYSA-N -1 0 419.528 4.041 50 0 HIAARM Cc1[nH]c(-c2nnc(C3CC3)o2)c(C)c1S(=O)(=O)[N-]c1ccc(Cl)cc1C ZINC000096379469 568740931 /nfs/dbraw/zinc/74/09/31/568740931.db2.gz PKEWKVJKJDBXSH-UHFFFAOYSA-N -1 0 406.895 4.322 50 0 HIAARM CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3cccc(C(=O)[O-])c3)c2c1 ZINC000000952881 568756723 /nfs/dbraw/zinc/75/67/23/568756723.db2.gz KTGJBYDUKRXPFG-UHFFFAOYSA-N -1 0 408.410 4.030 50 0 HIAARM FC(F)n1nccc1-c1nnc([N-]c2ccn(Cc3ccccc3Cl)n2)s1 ZINC000002731096 568804884 /nfs/dbraw/zinc/80/48/84/568804884.db2.gz DZDCYBRNSQGNGZ-UHFFFAOYSA-N -1 0 407.837 4.439 50 0 HIAARM CCOC(=O)/C=C/c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000028781746 568807530 /nfs/dbraw/zinc/80/75/30/568807530.db2.gz MJGSXROUJZMELS-BJMVGYQFSA-N -1 0 400.283 4.371 50 0 HIAARM O=S(=O)([N-]c1ncn(Cc2ccc(F)cc2Cl)n1)c1ccc2ccccc2c1 ZINC000002778041 568808210 /nfs/dbraw/zinc/80/82/10/568808210.db2.gz BJYTXVIXVIBPDS-UHFFFAOYSA-N -1 0 416.865 4.073 50 0 HIAARM C[C@@H](CNC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1ccccc1 ZINC000012508259 568840058 /nfs/dbraw/zinc/84/00/58/568840058.db2.gz RPRLBLJPDKGUFM-HNNXBMFYSA-N -1 0 400.525 4.082 50 0 HIAARM COc1ccccc1Nc1nc(CN2CCCCC2)nc2sc(C(=O)[O-])c(C)c21 ZINC000012549247 568852152 /nfs/dbraw/zinc/85/21/52/568852152.db2.gz MFRKDGXIKDHLLT-UHFFFAOYSA-N -1 0 412.515 4.436 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2cc(F)cc(F)c2)c1 ZINC000012552275 568854160 /nfs/dbraw/zinc/85/41/60/568854160.db2.gz IEMIACDLMWUUNZ-UHFFFAOYSA-N -1 0 418.421 4.027 50 0 HIAARM CCOC(=O)[C@@H]1CCCN(c2nc(-c3csc4ccccc34)ccc2C(=O)[O-])C1 ZINC000299772321 568874433 /nfs/dbraw/zinc/87/44/33/568874433.db2.gz YIAFRVPYQOWPOG-CQSZACIVSA-N -1 0 410.495 4.441 50 0 HIAARM COc1cc2c(cc1OC)CN(c1nc(-c3ccc(F)cc3)ccc1C(=O)[O-])CC2 ZINC000299783779 568875465 /nfs/dbraw/zinc/87/54/65/568875465.db2.gz YRFLWTGSYPQKPD-UHFFFAOYSA-N -1 0 408.429 4.166 50 0 HIAARM COc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccccc2)c3=O)cc1 ZINC000003630432 568921145 /nfs/dbraw/zinc/92/11/45/568921145.db2.gz BCQCIVHMQPYOOY-UHFFFAOYSA-N -1 0 417.490 4.368 50 0 HIAARM O=S(=O)([N-]c1ccc(-c2nc3cccnc3s2)cc1)c1cc(F)ccc1F ZINC000004036329 568935540 /nfs/dbraw/zinc/93/55/40/568935540.db2.gz IWYIWEUNCZKSDU-UHFFFAOYSA-N -1 0 403.435 4.437 50 0 HIAARM C[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccco2)c3=O)[C@@H]1C ZINC000004192319 568950424 /nfs/dbraw/zinc/95/04/24/568950424.db2.gz BMKOENPMJIDQAP-HBUWYVDXSA-N -1 0 411.527 4.255 50 0 HIAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC2CCCCCC2)ccc1F ZINC000008033392 568969440 /nfs/dbraw/zinc/96/94/40/568969440.db2.gz LJTOGFUQBPAAAR-UHFFFAOYSA-N -1 0 420.506 4.088 50 0 HIAARM O=C([O-])COc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1 ZINC000038204626 568978921 /nfs/dbraw/zinc/97/89/21/568978921.db2.gz UPJVIQBWZBYLQC-APSNUPSMSA-N -1 0 421.833 4.179 50 0 HIAARM O=C(/C=C/c1cccc(Cl)c1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000006102143 569002479 /nfs/dbraw/zinc/00/24/79/569002479.db2.gz YGIGLYOXFNCFSO-RUDMXATFSA-N -1 0 419.915 4.249 50 0 HIAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(=O)Nc1ccc(C)c(Cl)c1)CC2 ZINC000015781948 569002896 /nfs/dbraw/zinc/00/28/96/569002896.db2.gz GZZXUMBLBDRWKX-QGZVFWFLSA-N -1 0 418.877 4.272 50 0 HIAARM CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)[nH]n3)s2)cc1 ZINC000085664659 569006593 /nfs/dbraw/zinc/00/65/93/569006593.db2.gz MFQRTMIEHLNAOQ-UHFFFAOYSA-N -1 0 417.434 4.357 50 0 HIAARM CCCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc(F)cc3F)ccc2s1 ZINC000015870437 569017227 /nfs/dbraw/zinc/01/72/27/569017227.db2.gz IIGBVDHVPDUXIN-UHFFFAOYSA-N -1 0 411.455 4.114 50 0 HIAARM Cn1c2ccccc2nc1CCc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000015870664 569017416 /nfs/dbraw/zinc/01/74/16/569017416.db2.gz GAVPQWJXLJHRTJ-UHFFFAOYSA-N -1 0 409.486 4.298 50 0 HIAARM COC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])sc(C)c1-c1ccc(F)cc1 ZINC000006184278 569029044 /nfs/dbraw/zinc/02/90/44/569029044.db2.gz RUWHKNGGYSLPRX-LSDHHAIUSA-N -1 0 419.474 4.479 50 0 HIAARM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(Cl)c(C(F)(F)F)c1 ZINC000016147523 569029441 /nfs/dbraw/zinc/02/94/41/569029441.db2.gz KGBMXVLEIQFRLG-UHFFFAOYSA-N -1 0 422.812 4.127 50 0 HIAARM O=C([O-])c1sc2c(c1-c1cccc(F)c1)NC(=O)C[C@@H]2c1ccc2c(c1)OCO2 ZINC000064797655 569096608 /nfs/dbraw/zinc/09/66/08/569096608.db2.gz RCDSQCJOWQANNG-CYBMUJFWSA-N -1 0 411.410 4.455 50 0 HIAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2ccc4c(c2)OCO4)CC(=O)N3)cc1 ZINC000064797089 569096740 /nfs/dbraw/zinc/09/67/40/569096740.db2.gz VHFKJOFWLQRUPC-AWEZNQCLSA-N -1 0 423.446 4.325 50 0 HIAARM O=S(=O)([N-]c1cccnc1)c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1 ZINC000064988023 569145579 /nfs/dbraw/zinc/14/55/79/569145579.db2.gz HAYGBUOQPAWMLN-UHFFFAOYSA-N -1 0 412.858 4.253 50 0 HIAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000036359745 569151592 /nfs/dbraw/zinc/15/15/92/569151592.db2.gz VTOMFCGUGZMQQS-OAQYLSRUSA-N -1 0 424.865 4.347 50 0 HIAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(C)c(C)s2)n(C)c1C ZINC000065009108 569153329 /nfs/dbraw/zinc/15/33/29/569153329.db2.gz JCFDHQWDHDYCCQ-UHFFFAOYSA-N -1 0 405.545 4.273 50 0 HIAARM COc1ccc(-c2cc([N-]S(=O)(=O)c3cc(F)ccc3F)ccc2OC)cc1 ZINC000007423393 569237828 /nfs/dbraw/zinc/23/78/28/569237828.db2.gz FKDASFFJUZSWPW-UHFFFAOYSA-N -1 0 405.422 4.450 50 0 HIAARM O=C(c1cccs1)N1CCc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc21 ZINC000013696232 569257129 /nfs/dbraw/zinc/25/71/29/569257129.db2.gz XASUVYWFJBMYRZ-UHFFFAOYSA-N -1 0 420.462 4.030 50 0 HIAARM CCc1cccc(C)c1NC(=O)[C@H](C)Sc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000017089980 569274735 /nfs/dbraw/zinc/27/47/35/569274735.db2.gz NVWOHZPKDSMRDK-HNNXBMFYSA-N -1 0 414.527 4.480 50 0 HIAARM Cc1nc2sc([C@@H](c3ccc(C(C)C)cc3)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000017144199 569275407 /nfs/dbraw/zinc/27/54/07/569275407.db2.gz MDPYDADVMBZYRK-QWQRMKEZSA-N -1 0 400.548 4.127 50 0 HIAARM CC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccccc1)C(=O)[O-] ZINC000002098433 569281156 /nfs/dbraw/zinc/28/11/56/569281156.db2.gz IIGBMBFMCKGEBU-IBGZPJMESA-N -1 0 419.433 4.037 50 0 biogenic HIAARM CCCCCCn1c2ccccc2c([O-])c(C(=O)Nc2nc3ccccc3[nH]2)c1=O ZINC000002319751 569374536 /nfs/dbraw/zinc/37/45/36/569374536.db2.gz JXADYQKGZGAHIS-UHFFFAOYSA-N -1 0 404.470 4.416 50 0 HIAARM Cc1ccc(CNc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccs2)cc1 ZINC000002421411 569397937 /nfs/dbraw/zinc/39/79/37/569397937.db2.gz LCKZINSSPFJYGK-UHFFFAOYSA-N -1 0 410.524 4.413 50 0 HIAARM CCOc1ccc(-c2[nH]nc3nc(-c4ccc(O)c(OCC)c4)cc(C(=O)[O-])c32)cc1 ZINC000013363542 569411977 /nfs/dbraw/zinc/41/19/77/569411977.db2.gz KLBUURYPWURMLE-UHFFFAOYSA-N -1 0 419.437 4.493 50 0 HIAARM Cc1c2occ(CCNC(=O)c3ccccc3C(=O)[O-])c2cc2c(C)c(C)c(=O)oc12 ZINC000008765274 571115415 /nfs/dbraw/zinc/11/54/15/571115415.db2.gz XZFOQLZOXKMNKQ-UHFFFAOYSA-N -1 0 419.433 4.135 50 0 HIAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)N[C@@H](C)Cc1c[nH]c2ccccc12 ZINC000009184011 571234542 /nfs/dbraw/zinc/23/45/42/571234542.db2.gz UFGYPVXPTDGMBL-LBPRGKRZSA-N -1 0 424.884 4.232 50 0 HIAARM COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1cccc(OC)c1 ZINC000009645802 571276237 /nfs/dbraw/zinc/27/62/37/571276237.db2.gz ICIWCRAXZHWGOG-UHFFFAOYSA-N -1 0 403.481 4.011 50 0 HIAARM COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1ccc(N(C)C)cc1 ZINC000009645812 571276321 /nfs/dbraw/zinc/27/63/21/571276321.db2.gz JVNNARZTSJGAPK-UHFFFAOYSA-N -1 0 416.524 4.069 50 0 HIAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2C)c1C(=O)N1CCCCC1 ZINC000009684469 571279434 /nfs/dbraw/zinc/27/94/34/571279434.db2.gz ZCWOZXVBFHRWDX-UHFFFAOYSA-N -1 0 409.939 4.020 50 0 HIAARM Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)[N-]c2c(C)cccc2C)c(C)n1C ZINC000009685288 571279869 /nfs/dbraw/zinc/27/98/69/571279869.db2.gz WECYRRTVSVNMCP-UHFFFAOYSA-N -1 0 417.575 4.076 50 0 HIAARM