smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])C(=O)/C(=C/c1ccc(OC(F)F)cc1)c1ccc2ccccc2n1 ZINC000032642024 1119076703 /nfs/dbraw/zinc/07/67/03/1119076703.db2.gz JLKAWADELWEAGT-RVDMUPIBSA-N -1 0 369.323 4.031 50 30 FIEARM Cc1c(/C=C(/CCC(=O)[O-])c2nc3ccccc3s2)cc(C#N)n1C ZINC000033578965 1122699201 /nfs/dbraw/zinc/69/92/01/1122699201.db2.gz DYQDKIQGBGXWRS-LCYFTJDESA-N -1 0 351.431 4.220 50 30 FIEARM CS(=O)(=O)[N-]c1ccccc1N=C(c1ccccc1)c1ccccc1 ZINC000000624495 203934122 /nfs/dbraw/zinc/93/41/22/203934122.db2.gz QFYZYIMYPGOFQL-UHFFFAOYSA-N -1 0 350.443 4.227 50 30 FIEARM COc1ccc(/N=C/c2c(C)c(Cl)c(C)c([N+](=O)[O-])c2[O-])cc1OC ZINC000002490177 204041059 /nfs/dbraw/zinc/04/10/59/204041059.db2.gz HJGKAHSFITYKTP-UFWORHAWSA-N -1 0 364.785 4.338 50 30 FIEARM O=[N+]([O-])c1cc2oc3c(c2c(/C=N/c2ccccc2O)c1[O-])CCCC3 ZINC000002267146 204030964 /nfs/dbraw/zinc/03/09/64/204030964.db2.gz ZJXCWMDYXCDCNB-KEBDBYFISA-N -1 0 352.346 4.382 50 30 FIEARM O=[N+]([O-])c1cc(/C=N/c2ccc(Br)cn2)c([O-])c2ccccc21 ZINC000002270028 204031383 /nfs/dbraw/zinc/03/13/83/204031383.db2.gz ZKYVIQPYXMVAHE-QGMBQPNBSA-N -1 0 372.178 4.362 50 30 FIEARM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)c(C)n1-c1ccccc1 ZINC000003186079 204080344 /nfs/dbraw/zinc/08/03/44/204080344.db2.gz RUKYMPCMKAYSNY-UHFFFAOYSA-N -1 0 368.458 4.096 50 30 FIEARM COc1cc(/C=N\[O-])ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004996303 204183886 /nfs/dbraw/zinc/18/38/86/204183886.db2.gz KSFLLRVHKXQDNF-UWVJOHFNSA-N -1 0 356.256 4.223 50 30 FIEARM CCC(=O)[N-]S(=O)(=O)c1ccc(-c2c(C)onc2-c2ccccc2)cc1 ZINC000005761797 204224320 /nfs/dbraw/zinc/22/43/20/204224320.db2.gz TZRHLKRLEZJVIJ-UHFFFAOYSA-N -1 0 370.430 4.372 50 30 world FIEARM CN(C)c1ccc(C=Nn2c(=S)[n-]nc2-c2cccc(Cl)c2)cc1 ZINC000005809983 204225824 /nfs/dbraw/zinc/22/58/24/204225824.db2.gz VLTAXXKEMIVQDN-YBFXNURJSA-N -1 0 357.870 4.209 50 30 FIEARM COc1ccc(-c2c(C)sc(NC(=O)C[C@@H](C)CC(=O)[O-])c2C#N)cc1 ZINC000017076275 204651318 /nfs/dbraw/zinc/65/13/18/204651318.db2.gz BAYROJBPDKUBPZ-LLVKDONJSA-N -1 0 372.446 4.043 50 30 FIEARM Cc1cccc2c1N(CCCOc1ccc(C(C)(C)C)cc1)C(=O)/C2=N\[O-] ZINC000039853998 205048292 /nfs/dbraw/zinc/04/82/92/205048292.db2.gz GGXQNVMVSQXNOH-NMWGTECJSA-N -1 0 366.461 4.287 50 30 FIEARM O=C([O-])C(C(=O)/C=C/c1ccc(Cl)cc1Cl)=C1SCCS1 ZINC000051329878 205182486 /nfs/dbraw/zinc/18/24/86/205182486.db2.gz HOJZRUGBEMKWRF-DUXPYHPUSA-N -1 0 361.271 4.352 50 30 FIEARM COc1cccc(/C=C2\CCc3cc(OC(C)(C)C(=O)[O-])ccc3C2=O)c1 ZINC000098055717 205932160 /nfs/dbraw/zinc/93/21/60/205932160.db2.gz SENBRHDPHHFOAJ-LFIBNONCSA-N -1 0 366.413 4.150 50 30 FIEARM CC(C)(CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N)C(=O)[O-] ZINC000170627460 206276795 /nfs/dbraw/zinc/27/67/95/206276795.db2.gz MMKOTUZOQXEQDG-UHFFFAOYSA-N -1 0 374.384 4.151 50 30 FIEARM CCCCCCCCCCNC(=O)Cc1c([O-])c2ccccc2[nH]c1=O ZINC000002288816 520019157 /nfs/dbraw/zinc/01/91/57/520019157.db2.gz KKUUHEBHNFRXDL-UHFFFAOYSA-N -1 0 358.482 4.033 50 30 FIEARM COc1cc(O)c(CC=C(C)C)c([O-])c1C(=O)/C=C/c1ccc(O)cc1 ZINC000005158937 522769295 /nfs/dbraw/zinc/76/92/95/522769295.db2.gz ORXQGKIUCDPEAJ-YRNVUSSQSA-N -1 0 354.402 4.217 50 30 endogenous,in-man FIEARM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C)n1Cc1ccco1 ZINC000054734628 524198619 /nfs/dbraw/zinc/19/86/19/524198619.db2.gz PBFMMQDMEZUTQD-KRWDZBQOSA-N -1 0 359.385 4.378 50 30 FIEARM Cc1ccc(-c2csc(N=NCc3cc([N+](=O)[O-])ccc3[O-])n2)cc1 ZINC000036075256 525781573 /nfs/dbraw/zinc/78/15/73/525781573.db2.gz QLORLJMYMJEWNW-GIJQJNRQSA-N -1 0 354.391 4.178 50 30 FIEARM C[C@H](Oc1ccc(C(=O)/C=C/c2ccccc2OC(F)F)cc1)C(=O)[O-] ZINC000016390643 525929052 /nfs/dbraw/zinc/92/90/52/525929052.db2.gz SQPFRYCKQNXFEA-OBIHZWKSSA-N -1 0 362.328 4.036 50 30 FIEARM CCCCCCCc1c(C)[n-]n(S(=O)(=O)c2ccc(Cl)cc2)c1=O ZINC000100397203 570503801 /nfs/dbraw/zinc/50/38/01/570503801.db2.gz HKVNOVAMCSGDOO-INIZCTEOSA-N -1 0 370.902 4.224 50 30 FIEARM O=C([O-])COc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O ZINC000005306602 570646511 /nfs/dbraw/zinc/64/65/11/570646511.db2.gz IEAMNWJCPUEKFL-UUASQNMZSA-N -1 0 365.168 4.073 50 30 FIEARM [O-]/N=C1/c2ccccc2-c2nnc(-c3ccc(Br)cc3)cc21 ZINC000100912295 570800288 /nfs/dbraw/zinc/80/02/88/570800288.db2.gz CCZHGEIXGDDLPX-FXBPSFAMSA-N -1 0 352.191 4.113 50 30 FIEARM O=[N+]([O-])c1ccc(Cl)c(C=Nn2c(=S)[n-]nc2-c2ccccc2)c1 ZINC000017159532 570869778 /nfs/dbraw/zinc/86/97/78/570869778.db2.gz YWGVZRGVOKBRJO-RQZCQDPDSA-N -1 0 359.798 4.051 50 30 FIEARM Cc1cccc(N=Nc2c(=O)n(-c3ccccc3)[n-]c2-c2ccccc2)c1 ZINC000252462069 571279089 /nfs/dbraw/zinc/27/90/89/571279089.db2.gz PMZCSHPPTJJKSP-UHFFFAOYSA-N -1 0 354.413 4.214 50 30 FIEARM CN1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)SC1=Nc1ccc(Cl)cc1 ZINC000252626177 571288998 /nfs/dbraw/zinc/28/89/98/571288998.db2.gz QXXWMRGRQYHKTG-ADRPSFFTSA-N -1 0 372.833 4.272 50 30 FIEARM CN1C(=O)/C(=C\c2ccccc2)SC1=Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000252636947 571291468 /nfs/dbraw/zinc/29/14/68/571291468.db2.gz XODVTPHXNRREAL-VPDARHJXSA-N -1 0 372.833 4.272 50 30 FIEARM N#Cc1ccc(CSCC(=O)Nc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000095983103 571333358 /nfs/dbraw/zinc/33/33/58/571333358.db2.gz VKKYUFXQKIZAKJ-UHFFFAOYSA-N -1 0 367.257 4.443 50 30 FIEARM CCNc1c2ccccc2oc(=O)c1N/C([O-])=N/c1ccc(F)cc1F ZINC000028048722 571337759 /nfs/dbraw/zinc/33/77/59/571337759.db2.gz SWMYZKQPCOWLLU-UHFFFAOYSA-N -1 0 359.332 4.161 50 30 FIEARM CCC[C@H]1CCc2nc(NC(=O)c3s[n-]c(=O)c3Cl)sc2C1 ZINC000328792826 1089918192 /nfs/dbraw/zinc/91/81/92/1089918192.db2.gz RPNNZQJJYNDMOZ-ZETCQYMHSA-N -1 0 357.888 4.500 50 30 FIEARM O=C(/C=C/c1ccc(O)c(Cl)c1)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000170612954 1115738418 /nfs/dbraw/zinc/73/84/18/1115738418.db2.gz VEBSYKTVMMNJIM-LREOWRDNSA-N -1 0 369.726 4.443 50 30 FIEARM [O-]c1c(Br)cc(Br)cc1/C=N/c1nccs1 ZINC000001107572 219370030 /nfs/dbraw/zinc/37/00/30/219370030.db2.gz CACIMWISSBWLGE-LHHJGKSTSA-N -1 0 362.046 4.124 50 30 FIEARM C=CCn1c2ccccc2c([O-])c(C(=O)Nc2cc(Cl)ccc2C)c1=O ZINC000012414640 203853569 /nfs/dbraw/zinc/85/35/69/203853569.db2.gz BESWVFAPESPSRG-UHFFFAOYSA-N -1 0 368.820 4.107 50 30 FIEARM C=CCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(C)c(Cl)c2)c1=O ZINC000012414637 203854031 /nfs/dbraw/zinc/85/40/31/203854031.db2.gz SGFDRUNXYQPMDO-UHFFFAOYSA-N -1 0 368.820 4.107 50 30 FIEARM CC(=O)[N-]C(Nc1ccc(C(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F ZINC000002257396 204030218 /nfs/dbraw/zinc/03/02/18/204030218.db2.gz UUEDZLFEACICJK-UHFFFAOYSA-N -1 0 368.199 4.074 50 30 FIEARM N#Cc1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])sc2c1CCCCCC2 ZINC000002747583 204053985 /nfs/dbraw/zinc/05/39/85/204053985.db2.gz QSFQDICYVNWTAA-UONOGXRCSA-N -1 0 360.479 4.108 50 30 FIEARM COc1ccc2nc(Cl)c(C=NNc3ccc(C(=O)[O-])cc3)cc2c1 ZINC000005560873 204215637 /nfs/dbraw/zinc/21/56/37/204215637.db2.gz HOAHFSKOADITLI-KEBDBYFISA-N -1 0 355.781 4.041 50 30 FIEARM Cc1sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c(C#N)c1-c1ccccc1 ZINC000006184270 204239281 /nfs/dbraw/zinc/23/92/81/204239281.db2.gz MWRWKYCNJYRWIB-GJZGRUSLSA-N -1 0 368.458 4.425 50 30 FIEARM Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(C#N)cc2)on1 ZINC000064845505 205307041 /nfs/dbraw/zinc/30/70/41/205307041.db2.gz DKYAHDRIZLETBL-UHFFFAOYSA-N -1 0 373.459 4.001 50 30 FIEARM C=CCc1cccc(C=Nn2c(-c3ccccc3C)n[n-]c2=S)c1O ZINC000001321891 519140361 /nfs/dbraw/zinc/14/03/61/519140361.db2.gz GVUOLJVWPLYKCI-UDWIEESQSA-N -1 0 350.447 4.232 50 30 FIEARM CCC[C@@H]1CCc2c(C#N)c(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])sc2C1 ZINC000239025469 520829586 /nfs/dbraw/zinc/82/95/86/520829586.db2.gz BRINQOKNWFCARM-VHDGCEQUSA-N -1 0 374.506 4.354 50 30 FIEARM O=[N+]([O-])c1cccc(/C=N/c2ccc(OCC(F)(F)C(F)F)cc2)c1[O-] ZINC000003092229 527384635 /nfs/dbraw/zinc/38/46/35/527384635.db2.gz CGSDZNJQWWASPD-ODCIPOBUSA-N -1 0 372.274 4.330 50 30 FIEARM N#Cc1c(SCC(=O)[O-])nc(-c2ccc(Cl)cc2)cc1C(F)(F)F ZINC000000798967 568248261 /nfs/dbraw/zinc/24/82/61/568248261.db2.gz RAAQFQAWKVLAMI-UHFFFAOYSA-N -1 0 372.755 4.469 50 30 FIEARM C[C@@H](C(=O)[O-])n1cc(-c2cc(-c3ccco3)c(C#N)c(N)n2)c2ccccc21 ZINC000072143492 570525932 /nfs/dbraw/zinc/52/59/32/570525932.db2.gz JDORJADVLJLXRI-LBPRGKRZSA-N -1 0 372.384 4.063 50 30 FIEARM O=C1/C(=N\[O-])c2cc(Cl)ccc2N1Cc1cccc(C(F)(F)F)c1 ZINC000100467812 570558933 /nfs/dbraw/zinc/55/89/33/570558933.db2.gz PMRVYJJTBWWPCD-STZFKDTASA-N -1 0 354.715 4.084 50 30 FIEARM O=C(/C(=C\c1ccc(O)cc1)c1nc2ccccc2[nH]c1=O)c1ccccc1 ZINC000229984045 570767491 /nfs/dbraw/zinc/76/74/91/570767491.db2.gz IQUWPYXNOUJIPV-JXAWBTAJSA-N -1 0 368.392 4.052 50 30 FIEARM CN1C(=O)C(=O)C(=C([O-])c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000102932982 570841697 /nfs/dbraw/zinc/84/16/97/570841697.db2.gz IIZRIARZNVAOQM-IDTYTIONSA-N -1 0 362.212 4.045 50 30 FIEARM CCCOc1ccccc1C=NNc1nnc2c3cccc(C)c3nc-2[n-]1 ZINC000033154929 571062820 /nfs/dbraw/zinc/06/28/20/571062820.db2.gz DQYDPINUCTWYGV-MTJSOVHGSA-N -1 0 360.421 4.049 50 30 FIEARM Cc1ccc(C(=O)[O-])cc1-c1ccc(C=C2C(=O)c3ccccc3C2=O)o1 ZINC000001053369 571143973 /nfs/dbraw/zinc/14/39/73/571143973.db2.gz DYKVNHBLLHDFTK-UHFFFAOYSA-N -1 0 358.349 4.416 50 30 FIEARM N#Cc1c(=O)[n-]c(Nc2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1 ZINC000001041072 571144322 /nfs/dbraw/zinc/14/43/22/571144322.db2.gz GFJJCPWDOHQBNC-UHFFFAOYSA-N -1 0 357.200 4.359 50 30 FIEARM O=S(=O)([O-])CCCN1c2ccccc2S/C1=C/C=Nc1ccccc1 ZINC000254288702 571200484 /nfs/dbraw/zinc/20/04/84/571200484.db2.gz BBNSCFVDGDDQRS-ZXHDCMKESA-N -1 0 374.487 4.121 50 30 FIEARM CCCN1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)SC1=Nc1ccccc1 ZINC000252602393 571284704 /nfs/dbraw/zinc/28/47/04/571284704.db2.gz FHCVEQJULLWZMS-AVZIYLOQSA-N -1 0 366.442 4.399 50 30 FIEARM C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2[n-]c1=S ZINC000003631275 571351810 /nfs/dbraw/zinc/35/18/10/571351810.db2.gz LGJCADYWBFGLFJ-UHFFFAOYSA-N -1 0 365.458 4.114 50 30 FIEARM Cn1c2ccccc2c2c1-c1cc(C#N)c(=O)[n-]c1C[C@@H]2c1ccccc1 ZINC000022341755 1082258031 /nfs/dbraw/zinc/25/80/31/1082258031.db2.gz JEOFSEFKOSPTOZ-QGZVFWFLSA-N -1 0 351.409 4.093 50 30 FIEARM Cc1ccc(OC(F)F)c(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)c1 ZINC000427511675 1103617148 /nfs/dbraw/zinc/61/71/48/1103617148.db2.gz MGGZKBNTACBQQL-UHFFFAOYSA-N -1 0 363.408 4.301 50 30 FIEARM COc1ccc(-c2nc([N-]c3nc4ccccc4s3)ncc2C#N)cc1 ZINC000004994083 204182793 /nfs/dbraw/zinc/18/27/93/204182793.db2.gz CYBILQQFWYEKTR-UHFFFAOYSA-N -1 0 359.414 4.377 50 30 FIEARM O=C(C(N=Nc1ccc(F)cc1)=C([O-])c1ccc(Cl)cc1)C(F)(F)F ZINC000005672293 204220694 /nfs/dbraw/zinc/22/06/94/204220694.db2.gz HZOMNQYAYAKEPB-QRVIBDJDSA-N -1 0 372.705 4.261 50 30 FIEARM O=[N+]([O-])c1cccc(C=Nn2c(=S)[n-]nc2-c2cccc(Cl)c2)c1 ZINC000005763163 204224800 /nfs/dbraw/zinc/22/48/00/204224800.db2.gz QYYXZHZUQIXFAP-RQZCQDPDSA-N -1 0 359.798 4.051 50 30 FIEARM CCN1Cc2c(C(=O)[O-])c3ccccc3nc2/C(=C\c2ccc(C#N)cc2)C1 ZINC000035341130 204239342 /nfs/dbraw/zinc/23/93/42/204239342.db2.gz MDSKYJCEKRCWKQ-BOPFTXTBSA-N -1 0 369.424 4.181 50 30 FIEARM CC(C)[C@@H]1CC[C@@H](C)/C(=C/c2ccc(NC(=O)CCC(=O)[O-])cc2)C1=O ZINC000032603849 204931438 /nfs/dbraw/zinc/93/14/38/204931438.db2.gz PBMVZXBUWLFUMN-UIAIXCAPSA-N -1 0 357.450 4.145 50 30 FIEARM O=C([O-])C(=O)/C(=C/c1ccccc1C(F)(F)F)c1ccc2ccccc2n1 ZINC000032642028 204932679 /nfs/dbraw/zinc/93/26/79/204932679.db2.gz WAWISSQZPGUGIC-SDNWHVSQSA-N -1 0 371.314 4.448 50 30 FIEARM CCCOc1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc1OC ZINC000030759605 263391252 /nfs/dbraw/zinc/39/12/52/263391252.db2.gz URMMKFDZEOZYLC-JAIQZWGSSA-N -1 0 362.813 4.282 50 30 FIEARM C=CCn1c(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[n-]c1=S ZINC000238937184 519197500 /nfs/dbraw/zinc/19/75/00/519197500.db2.gz TZLOIJDAVMPFJA-UHFFFAOYSA-N -1 0 360.460 4.403 50 30 FIEARM O=c1c(N=Nc2ccc(F)cc2)c(-c2ccccc2)[n-]n1-c1ccccc1 ZINC000100507773 570505077 /nfs/dbraw/zinc/50/50/77/570505077.db2.gz TUJFRZARPRKWLS-GFMRDNFCSA-N -1 0 358.376 4.045 50 30 FIEARM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccc(-c2cnco2)cc1 ZINC000102125996 570827210 /nfs/dbraw/zinc/82/72/10/570827210.db2.gz FLLJXRLSQOZFPO-KRWDZBQOSA-N -1 0 369.380 4.337 50 30 FIEARM C=C(C)C(=O)N(CCCCCCCCCCCC)CCS(=O)(=O)[O-] ZINC000102564863 570833594 /nfs/dbraw/zinc/83/35/94/570833594.db2.gz JDEFBUPTWFYSDD-UHFFFAOYSA-N -1 0 361.548 4.200 50 30 FIEARM CN(C)C=CC(=O)C(Cc1c(F)cccc1Cl)=C([O-])c1ccccc1 ZINC000020218987 570913920 /nfs/dbraw/zinc/91/39/20/570913920.db2.gz BFIJEZTVDIBSKM-LPQFERQCSA-N -1 0 359.828 4.165 50 30 FIEARM C=CCN1C(=O)/C(=C/c2ccc(-c3ccccc3C(=O)[O-])o2)SC1=S ZINC000002971286 571012970 /nfs/dbraw/zinc/01/29/70/571012970.db2.gz NQELQHGZDXYMJE-GDNBJRDFSA-N -1 0 371.439 4.032 50 30 FIEARM CC1(C)CC(=NNC([S-])=Nc2ccccc2F)c2cc(O)ccc2O1 ZINC000013520719 571103907 /nfs/dbraw/zinc/10/39/07/571103907.db2.gz LMXOPEWHMYTGKG-RCCKNPSSSA-N -1 0 359.426 4.194 50 30 FIEARM [O-]c1c(Cl)cc(Cl)cc1[C@@H](C#Cc1ccccc1)N1CCOCC1 ZINC000019770717 571141027 /nfs/dbraw/zinc/14/10/27/571141027.db2.gz QGHJGOPNFRNBTB-GOSISDBHSA-N -1 0 362.256 4.124 50 30 aggregator FIEARM COc1cc(OC)cc(-c2cc(-c3ccc(Cl)cc3)[n-]c(=O)c2C#N)c1 ZINC000001046125 571144406 /nfs/dbraw/zinc/14/44/06/571144406.db2.gz LBEFNQNMBYLSMK-UHFFFAOYSA-N -1 0 366.804 4.251 50 30 FIEARM CCOC(=O)[C@@](O)(c1ccc(N=Cc2ccccc2)c(C)c1)C(F)(F)F ZINC000252626973 571289044 /nfs/dbraw/zinc/28/90/44/571289044.db2.gz RJKYDMFXSUINFQ-SFHVURJKSA-N -1 0 365.351 4.059 50 30 FIEARM C=CCn1c(=O)c2ccc(C(=O)Nc3cccc(Cl)c3)cc2[n-]c1=S ZINC000003630103 571351782 /nfs/dbraw/zinc/35/17/82/571351782.db2.gz LUHGIZWGWWBBJS-UHFFFAOYSA-N -1 0 371.849 4.151 50 30 FIEARM COc1cc(C(=O)/C=C/c2ccc(F)c(Br)c2)ccc1O ZINC000013137341 1083721442 /nfs/dbraw/zinc/72/14/42/1083721442.db2.gz ANMMTZTWFDABJM-ZZXKWVIFSA-N -1 0 351.171 4.199 50 30 FIEARM Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)[O-])n2)cc1 ZINC000000799002 203951331 /nfs/dbraw/zinc/95/13/31/203951331.db2.gz IPXSVYLPDCRNEI-UHFFFAOYSA-N -1 0 352.337 4.124 50 30 FIEARM Cc1ccc(N=Nc2c(=O)n(-c3ccccc3)[n-]c2-c2ccccc2)cc1 ZINC000004578357 204148622 /nfs/dbraw/zinc/14/86/22/204148622.db2.gz OFLIORIYPJMGBP-FLFQWRMESA-N -1 0 354.413 4.214 50 30 FIEARM Cc1cccc(N=Nc2c(=O)n(-c3ccccc3)[n-]c2-c2ccccc2)c1 ZINC000004675280 204153681 /nfs/dbraw/zinc/15/36/81/204153681.db2.gz PMZCSHPPTJJKSP-DARPEHSRSA-N -1 0 354.413 4.214 50 30 FIEARM CC(C)(C)C(=O)Cc1nc2ccc(C(=O)[O-])cc2nc1CC(=O)C(C)(C)C ZINC000005408092 204206804 /nfs/dbraw/zinc/20/68/04/204206804.db2.gz UMQMRLIEQQDBLU-XCMCHEKJSA-N -1 0 370.449 4.220 50 30 FIEARM CCOc1ccc(C=Nn2c(=S)[n-]nc2-c2cccc(OCC)c2)cc1 ZINC000005408547 204207152 /nfs/dbraw/zinc/20/71/52/204207152.db2.gz DIUPFBUMNAKJGS-DEDYPNTBSA-N -1 0 368.462 4.287 50 30 FIEARM Cc1sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c(C#N)c1-c1ccccc1 ZINC000006184275 204239374 /nfs/dbraw/zinc/23/93/74/204239374.db2.gz MWRWKYCNJYRWIB-LSDHHAIUSA-N -1 0 368.458 4.425 50 30 FIEARM N#CC(=C([O-])c1csc(-c2ccco2)n1)c1ccc(C(F)(F)F)cn1 ZINC000041552893 205091238 /nfs/dbraw/zinc/09/12/38/205091238.db2.gz PZAOAJOZQHZUHF-SNVBAGLBSA-N -1 0 363.320 4.307 50 30 FIEARM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)c(C(F)(F)F)c1 ZINC000000953488 206224427 /nfs/dbraw/zinc/22/44/27/206224427.db2.gz NXTJHMNVCAGNRK-UHFFFAOYSA-N -1 0 360.744 4.031 50 30 FIEARM C=CCN1C(=O)/C(=C/c2ccccc2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000100872293 206224936 /nfs/dbraw/zinc/22/49/36/206224936.db2.gz APQMEMOEHKHWHO-VYHRCCAKSA-N -1 0 364.426 4.175 50 30 FIEARM CC(C)Oc1cccc(-c2n[n-]c(=S)n2N=Cc2ccccc2F)c1 ZINC000005690103 519782252 /nfs/dbraw/zinc/78/22/52/519782252.db2.gz YTOKFKWMRLKBCK-RGVLZGJSSA-N -1 0 356.426 4.416 50 30 FIEARM CCCCC(=O)[N-]S(=O)(=O)c1ccc(N=NN2CCCCC2)cc1 ZINC000017991410 519887160 /nfs/dbraw/zinc/88/71/60/519887160.db2.gz NUYUCDWEWQFJIV-HTXNQAPBSA-N -1 0 352.460 4.007 50 30 FIEARM CCC[C@@H]1CCc2c(C#N)c(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])sc2C1 ZINC000239025580 520829623 /nfs/dbraw/zinc/82/96/23/520829623.db2.gz BUXWHIOIEROXSL-BPLDGKMQSA-N -1 0 372.490 4.130 50 30 FIEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2c(C)c(C)c(C)c(C)c2C)n1 ZINC000008395166 526400952 /nfs/dbraw/zinc/40/09/52/526400952.db2.gz HMNVIQLPXWPDSZ-INIZCTEOSA-N -1 0 370.474 4.027 50 30 FIEARM Cc1ccc(/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1NS(C)(=O)=O ZINC000001026853 570472048 /nfs/dbraw/zinc/47/20/48/570472048.db2.gz DKVDONWOMRDPCT-QGMBQPNBSA-N -1 0 373.261 4.130 50 30 FIEARM COc1ccc(/N=C2/S/C(=C\c3cc(Cl)ccc3O)C(=O)N2C)cc1 ZINC000097466875 570488018 /nfs/dbraw/zinc/48/80/18/570488018.db2.gz XOFNEIDZUISPHY-NIQTYAIASA-N -1 0 374.849 4.288 50 30 FIEARM C[C@H]1CCc2c(C#N)c(NC(=O)CC3(CC(=O)[O-])CCCCC3)sc2C1 ZINC000024151092 570612674 /nfs/dbraw/zinc/61/26/74/570612674.db2.gz JQJQZNZEVVGVDL-ZDUSSCGKSA-N -1 0 374.506 4.498 50 30 FIEARM C=CCOc1c(Cl)cc(C=NNc2cccc(C(=O)[O-])c2)cc1OCC ZINC000032706853 570775166 /nfs/dbraw/zinc/77/51/66/570775166.db2.gz LKIQYZGXMMALJV-MTJSOVHGSA-N -1 0 374.824 4.448 50 30 FIEARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1sc2c(c1C#N)CCCC2 ZINC000018084202 570875328 /nfs/dbraw/zinc/87/53/28/570875328.db2.gz XVXRYUBZNQKTKK-ORWNMUSCSA-N -1 0 362.458 4.240 50 30 FIEARM C=CCSc1nc(-c2ccccc2)[n-]c1S(=O)(=O)c1ccc(C)cc1 ZINC000012650193 571118420 /nfs/dbraw/zinc/11/84/20/571118420.db2.gz XMCXGOXGFGPZAR-UHFFFAOYSA-N -1 0 370.499 4.496 50 30 FIEARM CC(C)N1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)SC1=Nc1ccccc1 ZINC000252597767 571284521 /nfs/dbraw/zinc/28/45/21/571284521.db2.gz CVGFQPNVJZOWJN-DBOKLQOQSA-N -1 0 366.442 4.397 50 30 FIEARM CCOC(=O)[C@](O)(c1ccc(N=Cc2ccccc2)c(C)c1)C(F)(F)F ZINC000252626972 571289077 /nfs/dbraw/zinc/28/90/77/571289077.db2.gz RJKYDMFXSUINFQ-GOSISDBHSA-N -1 0 365.351 4.059 50 30 FIEARM C=C1C[C@H](O)[C@H](C/C=C\CCCC(=O)[O-])[C@H]1/C=C/[C@@H](O)CCCCC ZINC000027639347 571319313 /nfs/dbraw/zinc/31/93/13/571319313.db2.gz ROZAFJXVUNORLT-SFIVEXQWSA-N -1 0 350.499 4.238 50 30 in-vitro FIEARM Cc1ccc(-c2cc(-c3cccc(Br)c3)c(C#N)c(=O)[n-]2)o1 ZINC000055104069 571319972 /nfs/dbraw/zinc/31/99/72/571319972.db2.gz CXNFNPQHNVZCQX-UHFFFAOYSA-N -1 0 355.191 4.245 50 30 FIEARM COc1cc(/C=C2\CCc3c(C)cc(C)cc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000013137622 1083725287 /nfs/dbraw/zinc/72/52/87/1083725287.db2.gz LWWZKJGOZRZLPT-RIYZIHGNSA-N -1 0 353.374 4.138 50 30 FIEARM CC(C)(C)c1[n-]n(Cc2cc(F)ccc2OC(F)F)c(=O)c1CCC#N ZINC000596260356 1095950679 /nfs/dbraw/zinc/95/06/79/1095950679.db2.gz KCFDNQNIOCULHZ-UHFFFAOYSA-N -1 0 367.371 4.131 50 30 FIEARM O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc3ncccc3c2)c1[O-] ZINC000004834526 204167706 /nfs/dbraw/zinc/16/77/06/204167706.db2.gz CAQMSBGGPNASJW-DJKKODMXSA-N -1 0 372.178 4.362 50 30 FIEARM O=C1Nc2ccccc2C1=N[N-]c1nc(-c2ccc(Cl)cc2)cs1 ZINC000004334440 204134465 /nfs/dbraw/zinc/13/44/65/204134465.db2.gz WWSNGYQKCSGBIT-UHFFFAOYSA-N -1 0 354.822 4.232 50 30 FIEARM O=C([N-]C(=O)c1c(Cl)cccc1Cl)O/N=C1/CCCc2occc21 ZINC000004366253 204136216 /nfs/dbraw/zinc/13/62/16/204136216.db2.gz LNFTUCQCVSPOBM-NDENLUEZSA-N -1 0 367.188 4.193 50 30 FIEARM CC(C)n1cc(C=NNc2nnc3c4ccccc4nc-3[n-]2)c2ccccc21 ZINC000005451818 204209369 /nfs/dbraw/zinc/20/93/69/204209369.db2.gz FPBHRCRNSXKAPB-SSDVNMTOSA-N -1 0 369.432 4.488 50 30 FIEARM Cc1sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c(C#N)c1-c1ccccc1 ZINC000005175470 204195788 /nfs/dbraw/zinc/19/57/88/204195788.db2.gz JEISVYDKXAUSCZ-CABCVRRESA-N -1 0 366.442 4.201 50 30 FIEARM Cc1ccccc1N=Nc1c(=O)n(-c2ccccc2)[n-]c1-c1ccccc1 ZINC000100532515 570505060 /nfs/dbraw/zinc/50/50/60/570505060.db2.gz KRDCBUYIKGGSLK-FLFQWRMESA-N -1 0 354.413 4.214 50 30 FIEARM COc1ccc(Cl)cc1NC(=O)C(=O)C=C([O-])c1ccc(Cl)cc1 ZINC000101355171 570818987 /nfs/dbraw/zinc/81/89/87/570818987.db2.gz PEYBTHBLGVGDJK-DHDCSXOGSA-N -1 0 366.200 4.265 50 30 FIEARM Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccnc2)cc1 ZINC000102525218 570833890 /nfs/dbraw/zinc/83/38/90/570833890.db2.gz ZCAPIJFGABDPPQ-NHFXJNLRSA-N -1 0 370.408 4.016 50 30 FIEARM Cc1cc(N2CCCC2)ccc1C=[NH+][N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000004677999 204154015 /nfs/dbraw/zinc/15/40/15/204154015.db2.gz UJAWNATWPPYNIY-CIAFOILYSA-N -1 0 357.841 4.393 50 30 FIEARM Cc1sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c(C#N)c1-c1ccccc1 ZINC000005175476 204195417 /nfs/dbraw/zinc/19/54/17/204195417.db2.gz JEISVYDKXAUSCZ-LSDHHAIUSA-N -1 0 366.442 4.201 50 30 FIEARM O=[N+]([O-])c1ccccc1C=Nn1c(=S)[n-]nc1-c1cccc(Cl)c1 ZINC000005764088 204225005 /nfs/dbraw/zinc/22/50/05/204225005.db2.gz HHLULPCTQXNVNU-RQZCQDPDSA-N -1 0 359.798 4.051 50 30 FIEARM CC(C=Nn1c(=S)[n-]nc1COc1ccccc1)=Cc1ccccc1 ZINC000005828306 204227391 /nfs/dbraw/zinc/22/73/91/204227391.db2.gz VDGBZRCQDJMNNV-HIBZGYDWSA-N -1 0 350.447 4.457 50 30 FIEARM CCN(CC)c1ccc(C=[NH+][N-]c2nnc3c4cc(C)ccc4nc-3[n-]2)cc1 ZINC000006078479 204235784 /nfs/dbraw/zinc/23/57/84/204235784.db2.gz JFCFWEKYEGKRPB-LPYMAVHISA-N -1 0 373.464 4.107 50 30 FIEARM N#Cc1c(=O)[n-]c(SCc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000013111431 204521700 /nfs/dbraw/zinc/52/17/00/204521700.db2.gz RCKYQSFSKNIZKH-UHFFFAOYSA-N -1 0 353.834 4.254 50 30 FIEARM N#Cc1c(=O)[n-]c(-c2ccc3ccccc3c2)cc1-c1ccc2c(c1)OCO2 ZINC000013920359 205102645 /nfs/dbraw/zinc/10/26/45/205102645.db2.gz IIHFJWYRMVYAKK-UHFFFAOYSA-N -1 0 366.376 4.462 50 30 FIEARM N#Cc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)cc1 ZINC000064795442 205305672 /nfs/dbraw/zinc/30/56/72/205305672.db2.gz DRKICEINPUXWLW-HNNXBMFYSA-N -1 0 374.421 4.459 50 30 FIEARM C=CCN1C(=O)C(=O)C(=C([O-])c2ccc(C)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000101231680 206227179 /nfs/dbraw/zinc/22/71/79/206227179.db2.gz KWLLTUFNXXDMDR-GHNGSUTGSA-N -1 0 367.832 4.256 50 30 FIEARM CCCCC(=O)NC([N-]c1ccccc1F)(C(F)(F)F)C(F)(F)F ZINC000003145721 519910581 /nfs/dbraw/zinc/91/05/81/519910581.db2.gz FVENRVHVFZZNIS-UHFFFAOYSA-N -1 0 360.273 4.365 50 30 FIEARM Cc1ccc(NC(=O)C(=O)C=C([O-])c2ccccc2)cc1Br ZINC000100126696 570521328 /nfs/dbraw/zinc/52/13/28/570521328.db2.gz CXMSVQCZDNRAHM-YBEGLDIGSA-N -1 0 360.207 4.021 50 30 FIEARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@H](c1ccc(Cl)cc1)C(C#N)C#N ZINC000100698119 570593995 /nfs/dbraw/zinc/59/39/95/570593995.db2.gz KNBMPINOJDUUSL-LJQANCHMSA-N -1 0 362.820 4.335 50 30 FIEARM CCc1ccc2c(c1)C(=N[N-]c1nc(-c3ccccc3)c(C)s1)C(=O)N2 ZINC000013857162 570793336 /nfs/dbraw/zinc/79/33/36/570793336.db2.gz OIJORKFCPIZURE-UHFFFAOYSA-N -1 0 362.458 4.449 50 30 FIEARM CCc1ccc2c(c1)C(=N[N-]c1nc(-c3ccc(C)cc3)cs1)C(=O)N2 ZINC000013857159 570793469 /nfs/dbraw/zinc/79/34/69/570793469.db2.gz PZFMVMPNPYXUSA-UHFFFAOYSA-N -1 0 362.458 4.449 50 30 FIEARM COc1cc(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCCO3)ccc1O ZINC000018064281 570806931 /nfs/dbraw/zinc/80/69/31/570806931.db2.gz YPYPNPQFGWYDIX-HWKANZROSA-N -1 0 360.793 4.112 50 30 FIEARM O=C(C=CNc1cc([N+](=O)[O-])ccc1O)c1ccc(Cl)c(Cl)c1 ZINC000101406817 570819992 /nfs/dbraw/zinc/81/99/92/570819992.db2.gz PPLNHBJAIHQYCZ-AATRIKPKSA-N -1 0 353.161 4.416 50 30 FIEARM Cc1[n-]n(Cc2ccccc2)c(=O)c1N=Nc1ccc(Cl)c(Cl)c1 ZINC000102032997 570826595 /nfs/dbraw/zinc/82/65/95/570826595.db2.gz HVIRHWUVSFQBTI-LTGZKZEYSA-N -1 0 361.232 4.180 50 30 FIEARM CC(C)(C)c1ccc(OCC[N+]2C(=O)C(=N[O-])c3cc(Cl)ccc32)cc1 ZINC000343516967 571142112 /nfs/dbraw/zinc/14/21/12/571142112.db2.gz RQGYIUNZTGWNGW-UHFFFAOYSA-N -1 0 372.852 4.207 50 30 FIEARM C#Cc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000012541897 571177707 /nfs/dbraw/zinc/17/77/07/571177707.db2.gz MMIDDVUDSJISRS-UHFFFAOYSA-N -1 0 359.756 4.141 50 30 FIEARM Cc1ccccc1N=Nc1c(=O)n(-c2ccccc2)[n-]c1-c1ccccc1 ZINC000252461118 571279016 /nfs/dbraw/zinc/27/90/16/571279016.db2.gz KRDCBUYIKGGSLK-UHFFFAOYSA-N -1 0 354.413 4.214 50 30 FIEARM O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc(-c3nc4ncccc4o3)cc2)c1 ZINC000252639261 571291693 /nfs/dbraw/zinc/29/16/93/571291693.db2.gz YIUBJYNXUGNASZ-UHFFFAOYSA-N -1 0 360.329 4.254 50 30 FIEARM N#Cc1c(=O)[n-]c(SCc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000013111430 571323019 /nfs/dbraw/zinc/32/30/19/571323019.db2.gz FYYOCPYBBVXDCB-UHFFFAOYSA-N -1 0 353.834 4.254 50 30 FIEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc(-c3ccc(Cl)cc3)s2)C(=O)O1 ZINC000101006956 1102224192 /nfs/dbraw/zinc/22/41/92/1102224192.db2.gz DMXONLDRYUZPGO-IWHGQQBYSA-N -1 0 372.829 4.297 50 30 FIEARM COc1ccc(C)cc1C(=O)/C(=C\c1ccc(SC)cc1)CC(=O)[O-] ZINC000033674423 1122875880 /nfs/dbraw/zinc/87/58/80/1122875880.db2.gz XZZBWXZMMAYWKE-PTNGSMBKSA-N -1 0 356.443 4.467 50 30 FIEARM Cc1cccnc1/N=C/c1cc(Br)cc(Br)c1[O-] ZINC000001435582 204006941 /nfs/dbraw/zinc/00/69/41/204006941.db2.gz SCXGESZQSQBPFN-REZTVBANSA-N -1 0 370.044 4.371 50 30 FIEARM CC(C)(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(O)cc2O)cc1 ZINC000001473664 204009356 /nfs/dbraw/zinc/00/93/56/204009356.db2.gz FDHREDWHQNDUKI-RGVLZGJSSA-N -1 0 368.462 4.199 50 30 FIEARM CC(=O)[N-]C(Nc1cccc(C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F ZINC000002345523 204035546 /nfs/dbraw/zinc/03/55/46/204035546.db2.gz WALUTKVGURTCKF-UHFFFAOYSA-N -1 0 368.199 4.074 50 30 FIEARM Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000004758608 204161868 /nfs/dbraw/zinc/16/18/68/204161868.db2.gz AYWOBRMNACLWLN-UHFFFAOYSA-N -1 0 371.392 4.255 50 30 FIEARM O=C([O-])C[C@@H]1S/C(=N\N=C2CCCCCCC2)N(c2ccccc2)C1=O ZINC000004492375 204141108 /nfs/dbraw/zinc/14/11/08/204141108.db2.gz SUNHNCOUVBVRPZ-XOMICKMZSA-N -1 0 373.478 4.066 50 30 FIEARM COc1ccc2cc(C=NNc3ccc(C(=O)[O-])cc3)c(Cl)nc2c1 ZINC000005576884 204216115 /nfs/dbraw/zinc/21/61/15/204216115.db2.gz FEKOPHXXCYYVCB-KEBDBYFISA-N -1 0 355.781 4.041 50 30 FIEARM O=C([O-])c1ccc(C/N=C2\c3ccccc3C(=O)[C@@H]2c2ccccc2)cc1 ZINC000005942272 204231821 /nfs/dbraw/zinc/23/18/21/204231821.db2.gz HLDLOYGUYMHNOP-LWGCSBEDSA-N -1 0 355.393 4.354 50 30 FIEARM N#Cc1c(=O)[n-]c(SCc2ccccc2Cl)nc1-c1ccccc1 ZINC000008762228 204344837 /nfs/dbraw/zinc/34/48/37/204344837.db2.gz XHGLXNUIRLXTQE-UHFFFAOYSA-N -1 0 353.834 4.254 50 30 FIEARM CC(C)[C@H]1CC[C@H](C)/C(=C/c2ccc(NC(=O)CCC(=O)[O-])cc2)C1=O ZINC000032603854 204931552 /nfs/dbraw/zinc/93/15/52/204931552.db2.gz PBMVZXBUWLFUMN-QPMKFSPVSA-N -1 0 357.450 4.145 50 30 FIEARM N#Cc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4)c32)cc1 ZINC000040287608 205065970 /nfs/dbraw/zinc/06/59/70/205065970.db2.gz MIORHTWWPIWGEE-INIZCTEOSA-N -1 0 357.369 4.171 50 30 FIEARM CC1=Nc2ccccc2[N-]C(=NC(=O)CN2CCCCC2)[C@H]1c1ccccc1 ZINC000050043876 205178540 /nfs/dbraw/zinc/17/85/40/205178540.db2.gz IYGZTCMEQLLOMR-JOCHJYFZSA-N -1 0 374.488 4.399 50 30 FIEARM [O-]c1c(Br)cc(Br)cc1/C=N/c1ccccn1 ZINC000100389189 205942888 /nfs/dbraw/zinc/94/28/88/205942888.db2.gz DMKCSXSPFSKZOB-FRKPEAEDSA-N -1 0 356.017 4.063 50 30 FIEARM C[P@@](=O)([O-])O[C@H](c1ccccc1)C(F)(F)C(F)(F)OC(F)(F)F ZINC000004936200 206184092 /nfs/dbraw/zinc/18/40/92/206184092.db2.gz YOLCKSNGFPXNQE-MRVPVSSYSA-N -1 0 370.157 4.324 50 30 FIEARM CCc1ccc(/C=C/C(=O)c2ccc(OC)c(CSCC(=O)[O-])c2)cc1 ZINC000007785473 206209801 /nfs/dbraw/zinc/20/98/01/206209801.db2.gz VSWLRDTWTVRNSR-CSKARUKUSA-N -1 0 370.470 4.472 50 30 FIEARM O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000104130202 206236153 /nfs/dbraw/zinc/23/61/53/206236153.db2.gz BBAYGBXOSDVSBC-YDJIHCHBSA-N -1 0 373.383 4.452 50 30 FIEARM COc1ccc(/C=C/C(=O)c2ccc(-c3ccc(C(=O)[O-])o3)cc2)cc1O ZINC000007910820 523400146 /nfs/dbraw/zinc/40/01/46/523400146.db2.gz BUHVMOACESUMGF-KRXBUXKQSA-N -1 0 364.353 4.255 50 30 FIEARM COc1ccc(C(=O)/C=C\c2ccc(C)cc2)cc1CSCC(=O)[O-] ZINC000098053968 523544087 /nfs/dbraw/zinc/54/40/87/523544087.db2.gz HJJGDHWDRFXNMV-CLFYSBASSA-N -1 0 356.443 4.218 50 30 FIEARM O=C([O-])CCC/C=C\C[C@H]1C(=O)C=C[C@@H]1CC[C@@H](O)CCc1ccccc1 ZINC000027639153 527573160 /nfs/dbraw/zinc/57/31/60/527573160.db2.gz ZHCXQFHXZFWVRT-BRQXMNQMSA-N -1 0 370.489 4.333 50 30 in-vitro FIEARM CSc1ccc(-c2cc(-c3ccc4c(c3)OCO4)[n-]c(=O)c2C#N)cc1 ZINC000012371910 568516500 /nfs/dbraw/zinc/51/65/00/568516500.db2.gz UQLLMTNEKDIRHJ-UHFFFAOYSA-N -1 0 362.410 4.031 50 30 FIEARM [O-]c1c(Br)cc(Br)cc1/C=N/c1ccccc1O ZINC000100456603 570504250 /nfs/dbraw/zinc/50/42/50/570504250.db2.gz GOIOELRBKMZABG-FRKPEAEDSA-N -1 0 371.028 4.373 50 30 FIEARM CN1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)S/C1=N/c1ccc(Cl)cc1 ZINC000100988415 570509654 /nfs/dbraw/zinc/50/96/54/570509654.db2.gz QXXWMRGRQYHKTG-DOOOOMTHSA-N -1 0 372.833 4.272 50 30 FIEARM N#Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000016147452 570851078 /nfs/dbraw/zinc/85/10/78/570851078.db2.gz JKVTVNGWTRKXKJ-UHFFFAOYSA-N -1 0 360.744 4.031 50 30 FIEARM Cc1ccc(-c2n[n-]c(=S)n2N=Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000017138962 570869191 /nfs/dbraw/zinc/86/91/91/570869191.db2.gz CIULBBMAMMCPQW-GIJQJNRQSA-N -1 0 373.825 4.360 50 30 FIEARM C=CCN1C(=O)S/C(=C/c2cc(Cl)cc(Br)c2[O-])C1=O ZINC000013881334 571120397 /nfs/dbraw/zinc/12/03/97/571120397.db2.gz WBNMSFWEXJRDEV-BJMVGYQFSA-N -1 0 374.643 4.030 50 30 FIEARM Cc1ccc(C(=O)[O-])c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1 ZINC000001017805 571143496 /nfs/dbraw/zinc/14/34/96/571143496.db2.gz JUMPOXQAJQLBHD-LLVKDONJSA-N -1 0 354.431 4.004 50 30 FIEARM CN1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)SC1=Nc1ccc(Cl)cc1 ZINC000252626178 571289065 /nfs/dbraw/zinc/28/90/65/571289065.db2.gz QXXWMRGRQYHKTG-RBVMOECKSA-N -1 0 372.833 4.272 50 30 FIEARM CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1ccccc1C(=O)[O-] ZINC000033888306 1123323314 /nfs/dbraw/zinc/32/33/14/1123323314.db2.gz YWIJTIGKAKYMJY-XDHOZWIPSA-N -1 0 367.470 4.358 50 30 FIEARM O=C(Nc1ccccc1)c1ccccc1/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000002891318 204065733 /nfs/dbraw/zinc/06/57/33/204065733.db2.gz DZOYKSXPGHEGRD-FYJGNVAPSA-N -1 0 361.357 4.303 50 30 FIEARM O=S(=O)([O-])CCCN1c2ccccc2S/C1=C/C=N/c1ccccc1 ZINC000003110493 204078864 /nfs/dbraw/zinc/07/88/64/204078864.db2.gz BBNSCFVDGDDQRS-GDAWTGGTSA-N -1 0 374.487 4.121 50 30 FIEARM O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2cc(Cl)ccc2O)c1 ZINC000003153252 204078952 /nfs/dbraw/zinc/07/89/52/204078952.db2.gz LAXWNKLEDYITSL-OMCISZLKSA-N -1 0 371.574 4.173 50 30 FIEARM Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1ccc(OCC#N)cc1)[C@@H]1CC=C[C@@H]21 ZINC000004608566 204150722 /nfs/dbraw/zinc/15/07/22/204150722.db2.gz NIVDEQFZMCZBLY-OPYAIIAOSA-N -1 0 360.413 4.422 50 30 FIEARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@H](c1cccc(Cl)c1)C(C#N)C#N ZINC000004535391 204143866 /nfs/dbraw/zinc/14/38/66/204143866.db2.gz JWGRSBYMWCYBHG-MOPGFXCFSA-N -1 0 362.820 4.126 50 30 FIEARM CC(C)(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2cccc(O)c2)cc1 ZINC000005669439 204219817 /nfs/dbraw/zinc/21/98/17/204219817.db2.gz BQRIMHPZQFEGSA-UDWIEESQSA-N -1 0 352.463 4.493 50 30 FIEARM CCCCCCCc1c(C)[n-]n(S(=O)(=O)c2ccc(Cl)cc2)c1=O ZINC000095719307 205793675 /nfs/dbraw/zinc/79/36/75/205793675.db2.gz HKVNOVAMCSGDOO-MRXNPFEDSA-N -1 0 370.902 4.224 50 30 FIEARM C=CCC[C@@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095100350 518709929 /nfs/dbraw/zinc/70/99/29/518709929.db2.gz MZIFEJDIBMKKTE-HNNXBMFYSA-N -1 0 365.429 4.335 50 30 FIEARM CCCCCOc1ccccc1C=Nn1c(=S)[n-]nc1C(F)(F)F ZINC000006067198 520259802 /nfs/dbraw/zinc/25/98/02/520259802.db2.gz JODGBBHFCCXAHH-VXLYETTFSA-N -1 0 358.389 4.037 50 30 FIEARM CCCCOC(=O)N=c1[n-]nc(SCCOc2ccc(C)cc2)s1 ZINC000002845145 520700041 /nfs/dbraw/zinc/70/00/41/520700041.db2.gz ZUPIRRBDLYTOKF-UHFFFAOYSA-N -1 0 367.496 4.380 50 30 aggregator FIEARM COc1ccc(C(=O)/C=C\c2ccccc2C)cc1CSCC(=O)[O-] ZINC000096867698 523544572 /nfs/dbraw/zinc/54/45/72/523544572.db2.gz NCEUDLDFCQRTIL-CLFYSBASSA-N -1 0 356.443 4.218 50 30 FIEARM [O-]c1c(Br)cc(C=NNc2ccccc2)cc1Br ZINC000254312384 526323858 /nfs/dbraw/zinc/32/38/58/526323858.db2.gz KTYPVLPVTXIKSO-UHFFFAOYSA-N -1 0 370.044 4.363 50 30 FIEARM [O-]c1c(Cl)cc(Cl)cc1/C=N/NC(=S)Nc1ccc(F)cc1 ZINC000001041713 570475362 /nfs/dbraw/zinc/47/53/62/570475362.db2.gz BKIALOYMTXYSPK-CNHKJKLMSA-N -1 0 358.225 4.159 50 30 FIEARM CN1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N/c1cccc(C(=O)[O-])c1 ZINC000100260761 570501985 /nfs/dbraw/zinc/50/19/85/570501985.db2.gz JMTPMAALMKCZGK-LBVWADOBSA-N -1 0 372.833 4.272 50 30 FIEARM CCCNc1c2ccccc2oc(=O)c1/N=C(\[O-])Nc1ccccc1F ZINC000045896308 570913997 /nfs/dbraw/zinc/91/39/97/570913997.db2.gz WOLPJHVONBEQJS-UHFFFAOYSA-N -1 0 355.369 4.412 50 30 FIEARM CNc1c2ccccc2oc(=O)c1/N=C(\[O-])COc1ccc(Cl)cc1 ZINC000015942076 571146448 /nfs/dbraw/zinc/14/64/48/571146448.db2.gz WBUNYZSOMXTSAO-UHFFFAOYSA-N -1 0 358.781 4.155 50 30 FIEARM O=C([O-])c1ccc(NC=CC(=O)c2ccc(Cl)cc2Cl)cc1O ZINC000004677966 571158259 /nfs/dbraw/zinc/15/82/59/571158259.db2.gz PTTWDSSBPITIKG-AATRIKPKSA-N -1 0 352.173 4.206 50 30 FIEARM N#Cc1c2c(sc1NC(=O)CC1(C(=O)[O-])CCCCCC1)CCCC2 ZINC000016481956 571195268 /nfs/dbraw/zinc/19/52/68/571195268.db2.gz AMNNEONPGNJWEN-UHFFFAOYSA-N -1 0 360.479 4.252 50 30 FIEARM CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000082067502 571227659 /nfs/dbraw/zinc/22/76/59/571227659.db2.gz CBPJQFCAFFNICX-LJQANCHMSA-N -1 0 353.418 4.229 50 30 in-vitro FIEARM Cc1ccc(C)c(N=C2S/C(=C/c3ccc(C(=O)[O-])cc3)C(=O)N2C)c1 ZINC000252611497 571285656 /nfs/dbraw/zinc/28/56/56/571285656.db2.gz IJXFZTGEUODQMA-UQZIKHPZSA-N -1 0 366.442 4.235 50 30 FIEARM COc1ccc(/C=C/C(=O)c2cc(Br)ccc2[O-])cc1OC ZINC000004252502 571357281 /nfs/dbraw/zinc/35/72/81/571357281.db2.gz XMPJKJCKDAWUCH-ZZXKWVIFSA-N -1 0 363.207 4.068 50 30 FIEARM CC(C)(C)c1[n-]n(Cc2cccc(F)c2OC(F)F)c(=O)c1CCC#N ZINC000596260049 1095950229 /nfs/dbraw/zinc/95/02/29/1095950229.db2.gz GJUHIDMHLSMBGN-UHFFFAOYSA-N -1 0 367.371 4.131 50 30 FIEARM C=CCN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3C)o2)C1=O ZINC000000981813 206740697 /nfs/dbraw/zinc/74/06/97/206740697.db2.gz XPXJZUFMARJBBV-MHWRWJLKSA-N -1 0 369.398 4.176 50 30 FIEARM COc1ccc(/C=C/C(=O)c2c([O-])c(OC)c3occc3c2OC)cc1 ZINC000004996305 207070472 /nfs/dbraw/zinc/07/04/72/207070472.db2.gz KMSLPPGLPWHDIL-RMKNXTFCSA-N -1 0 354.358 4.060 50 30 FIEARM CCc1nc(S[C@@H](C(=O)[O-])c2ccccc2)c(C#N)c2c1CCCC2 ZINC000012249729 207350973 /nfs/dbraw/zinc/35/09/73/207350973.db2.gz XXHFXBXEQXQGOI-GOSISDBHSA-N -1 0 352.459 4.312 50 30 FIEARM Cc1[n-]n(-c2ccccc2C)c(=O)c1N=Nc1ccc(Cl)c(Cl)c1 ZINC000018192738 207629560 /nfs/dbraw/zinc/62/95/60/207629560.db2.gz DALQIMAUOUADGW-LTGZKZEYSA-N -1 0 361.232 4.492 50 30 FIEARM CC(C)[C@H]1CC[C@@H](C)/C(=C/c2ccc(NC(=O)CCC(=O)[O-])cc2)C1=O ZINC000032603851 208031116 /nfs/dbraw/zinc/03/11/16/208031116.db2.gz PBMVZXBUWLFUMN-SSPMVUGISA-N -1 0 357.450 4.145 50 30 FIEARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=NN=c1cc(C)c2ccccc2[nH]1 ZINC000095351712 209023280 /nfs/dbraw/zinc/02/32/80/209023280.db2.gz QNCMHDFFYHWLDE-LPYMAVHISA-N -1 0 357.417 4.189 50 30 FIEARM COC(=O)N=c1[n-]nc(CCCOc2ccc(Cl)cc2Cl)s1 ZINC000002589222 263325898 /nfs/dbraw/zinc/32/58/98/263325898.db2.gz NNQSDWQTCDBTBZ-UHFFFAOYSA-N -1 0 362.238 4.048 50 30 FIEARM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000040162367 525484245 /nfs/dbraw/zinc/48/42/45/525484245.db2.gz ILUVLOJFBMFSRD-UHFFFAOYSA-N -1 0 358.246 4.190 50 30 FIEARM Cc1ccc(S(=O)([O-])=NC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000001234465 570495802 /nfs/dbraw/zinc/49/58/02/570495802.db2.gz JLILJPFSTIOLGJ-UHFFFAOYSA-N -1 0 359.234 4.017 50 30 FIEARM Cc1ccc(NC(=O)C([O-])=C(C#N)c2c(Cl)cccc2Cl)c(C)c1 ZINC000001613691 570502870 /nfs/dbraw/zinc/50/28/70/570502870.db2.gz XTBAOOGGELANLD-LBPRGKRZSA-N -1 0 361.228 4.425 50 30 FIEARM O=C1C(=O)N(Cc2ccccc2)[C@@H](c2ccccc2)C1=C([O-])c1ccccc1 ZINC000104100319 570856761 /nfs/dbraw/zinc/85/67/61/570856761.db2.gz GRIXWAPABYNXIF-MRJHHRETSA-N -1 0 369.420 4.309 50 30 FIEARM CCCCCOc1ccccc1C[N+]1c2ccc(C)cc2C(=N[O-])C1=O ZINC000343516896 571142056 /nfs/dbraw/zinc/14/20/56/571142056.db2.gz IHAHMZHFPPQVQG-UHFFFAOYSA-N -1 0 352.434 4.254 50 30 FIEARM CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CCCC(=O)[O-])sc2C1 ZINC000005950855 571169363 /nfs/dbraw/zinc/16/93/63/571169363.db2.gz MFEDSQMALVBNER-GFCCVEGCSA-N -1 0 362.495 4.354 50 30 FIEARM C[C@H](Oc1ccc(C(=O)/C=C/c2ccccc2C(F)(F)F)cc1)C(=O)[O-] ZINC000006628305 571237812 /nfs/dbraw/zinc/23/78/12/571237812.db2.gz FKXUXHFGMHGAJZ-OBIHZWKSSA-N -1 0 364.319 4.453 50 30 FIEARM N#Cc1c(=O)[n-]c(-c2ccc(Br)cc2)cc1-c1cccs1 ZINC000000642620 571319080 /nfs/dbraw/zinc/31/90/80/571319080.db2.gz BYYLAVWFYQGAQT-UHFFFAOYSA-N -1 0 357.232 4.405 50 30 FIEARM N#Cc1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])sc2c1CCCCCC2 ZINC000002747584 571340704 /nfs/dbraw/zinc/34/07/04/571340704.db2.gz QSFQDICYVNWTAA-ZIAGYGMSSA-N -1 0 360.479 4.108 50 30 FIEARM O=c1c(N=Nc2ccc(F)cc2)c(-c2ccccc2)[n-]n1-c1ccccc1 ZINC000101499891 209226781 /nfs/dbraw/zinc/22/67/81/209226781.db2.gz TUJFRZARPRKWLS-HIXSDJFHSA-N -1 0 358.376 4.045 50 30 FIEARM COc1cccc(-c2n[n-]c(=S)n2N=Cc2c(F)cccc2Cl)c1 ZINC000005932602 207122700 /nfs/dbraw/zinc/12/27/00/207122700.db2.gz RTVMTPHUACPNLF-DJKKODMXSA-N -1 0 362.817 4.291 50 30 FIEARM CCc1nc(S[C@H](C(=O)[O-])c2ccccc2)c(C#N)c2c1CCCC2 ZINC000012249730 207351634 /nfs/dbraw/zinc/35/16/34/207351634.db2.gz XXHFXBXEQXQGOI-SFHVURJKSA-N -1 0 352.459 4.312 50 30 FIEARM Cc1ccc(C(=O)C[C@@H](C(=O)[O-])c2cn(CCC#N)c3ccccc23)cc1 ZINC000003644716 263330635 /nfs/dbraw/zinc/33/06/35/263330635.db2.gz RXWXVZSTVVTZKV-GOSISDBHSA-N -1 0 360.413 4.305 50 30 FIEARM CCCOc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2OC)cc1 ZINC000005892789 520323491 /nfs/dbraw/zinc/32/34/91/520323491.db2.gz FYJGIMIIENRKDL-DEDYPNTBSA-N -1 0 368.462 4.287 50 30 FIEARM COc1cc(/C=C/C(=O)c2ccc3ccccc3c2)ccc1OCC(=O)[O-] ZINC000007740951 521941662 /nfs/dbraw/zinc/94/16/62/521941662.db2.gz SVVFYTOGCWNNOC-UXBLZVDNSA-N -1 0 362.381 4.208 50 30 FIEARM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C)n1-c1cccnc1 ZINC000059590464 524197961 /nfs/dbraw/zinc/19/79/61/524197961.db2.gz VDEMAWVKXQWTRW-KRWDZBQOSA-N -1 0 356.385 4.120 50 30 FIEARM O=[N+]([O-])c1cc(C=Nc2ccc(Br)cn2)c([O-])c2ccccc21 ZINC000252680347 527329003 /nfs/dbraw/zinc/32/90/03/527329003.db2.gz ZKYVIQPYXMVAHE-UHFFFAOYSA-N -1 0 372.178 4.362 50 30 FIEARM Cc1ccc(S(=O)([O-])=NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000001231743 570495698 /nfs/dbraw/zinc/49/56/98/570495698.db2.gz MXILLRCGSZKZNF-UHFFFAOYSA-N -1 0 359.234 4.017 50 30 FIEARM C=CCn1c2ccccc2c([O-])c(-c2nc(-c3ccc(C)c(C)c3)no2)c1=O ZINC000101725285 570822937 /nfs/dbraw/zinc/82/29/37/570822937.db2.gz CHBNGVQACZFBNM-UHFFFAOYSA-N -1 0 373.412 4.227 50 30 FIEARM O=[N+]([O-])c1ccc(Cl)c(C=Nn2c(=S)[n-]nc2C2CCCCC2)c1 ZINC000015987991 570849067 /nfs/dbraw/zinc/84/90/67/570849067.db2.gz NBBDKPIFSBNFRC-RQZCQDPDSA-N -1 0 365.846 4.432 50 30 FIEARM O=C([N-]S(=O)(=O)c1ccc(Cl)s1)C1(c2ccccc2)CCC1 ZINC000048461043 570955824 /nfs/dbraw/zinc/95/58/24/570955824.db2.gz LWOBUWSWQNBTNL-UHFFFAOYSA-N -1 0 355.868 4.169 50 30 FIEARM N#Cc1cccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)c1 ZINC000007057614 571259683 /nfs/dbraw/zinc/25/96/83/571259683.db2.gz LNYMPVDRZVIKHI-UHFFFAOYSA-N -1 0 350.399 4.151 50 30 FIEARM NC(=O)c1c(N=Cc2cc(Cl)cc(Cl)c2[O-])sc2c1CCCC2 ZINC000252460649 571279012 /nfs/dbraw/zinc/27/90/12/571279012.db2.gz HCGGKKKPEDTXAG-UHFFFAOYSA-N -1 0 369.273 4.489 50 30 FIEARM Cc1ccc(N=C2S/C(=C\c3ccc(C(=O)[O-])cc3)C(=O)N2C)cc1C ZINC000252594084 571284358 /nfs/dbraw/zinc/28/43/58/571284358.db2.gz BPIGTWSXVILZIK-GIKHVEQZSA-N -1 0 366.442 4.235 50 30 FIEARM CCN(CC)c1ccc(C=[NH+][N-]c2nnc3c4cc(C)ccc4nc-3[n-]2)cc1 ZINC000252613937 571285979 /nfs/dbraw/zinc/28/59/79/571285979.db2.gz JFCFWEKYEGKRPB-UHFFFAOYSA-N -1 0 373.464 4.107 50 30 FIEARM CCN1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)SC1=Nc1ccccc1 ZINC000252618909 571286520 /nfs/dbraw/zinc/28/65/20/571286520.db2.gz LKRTYQYRYYIYAJ-PQUVRPEGSA-N -1 0 352.415 4.009 50 30 FIEARM CCc1ccc(N=C2S/C(=C/c3ccc(C(=O)[O-])cc3)C(=O)N2C)cc1 ZINC000252620678 571287528 /nfs/dbraw/zinc/28/75/28/571287528.db2.gz MJOBUCCHOSZYLY-DBOKLQOQSA-N -1 0 366.442 4.181 50 30 FIEARM CC[C@@H](C)c1ccc(O)c(N=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])c1 ZINC000252623087 571288535 /nfs/dbraw/zinc/28/85/35/571288535.db2.gz OJTCACJXAPKWJW-SNVBAGLBSA-N -1 0 359.338 4.178 50 30 FIEARM O=[N+]([O-])c1cccc(/C=N/c2ccc(-c3nc4ncccc4o3)cc2)c1[O-] ZINC000002490155 571337334 /nfs/dbraw/zinc/33/73/34/571337334.db2.gz HPWMSAKKLYWOBH-SRZZPIQSSA-N -1 0 360.329 4.254 50 30 FIEARM O=C([O-])COc1cccc(C(=O)/C=C/c2c(Cl)cccc2Cl)c1 ZINC000008322907 209472194 /nfs/dbraw/zinc/47/21/94/209472194.db2.gz IVLXPCXHUCTSAE-BQYQJAHWSA-N -1 0 351.185 4.353 50 30 FIEARM C=CCN1C(=O)S/C(=C\c2cc(Cl)cc(Br)c2[O-])C1=O ZINC000000981873 209385055 /nfs/dbraw/zinc/38/50/55/209385055.db2.gz WBNMSFWEXJRDEV-YHYXMXQVSA-N -1 0 374.643 4.030 50 30 FIEARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccccc1 ZINC000100005505 209207311 /nfs/dbraw/zinc/20/73/11/209207311.db2.gz RNFONTXZJTVXKM-OQKWZONESA-N -1 0 361.430 4.001 50 30 FIEARM Cc1ccc(N=C(CC(=O)c2ccc(Br)cc2)C(=O)[O-])cc1 ZINC000004499357 207022399 /nfs/dbraw/zinc/02/23/99/207022399.db2.gz AKJIVUFOVCGXCK-GDNBJRDFSA-N -1 0 360.207 4.021 50 30 FIEARM Cc1sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c(C#N)c1-c1ccccc1 ZINC000005175474 207086737 /nfs/dbraw/zinc/08/67/37/207086737.db2.gz JEISVYDKXAUSCZ-HUUCEWRRSA-N -1 0 366.442 4.201 50 30 FIEARM S=c1[n-]nc(-c2ccccn2)n1N=Cc1c(Cl)cccc1Cl ZINC000005450703 207101113 /nfs/dbraw/zinc/10/11/13/207101113.db2.gz XVZGGBMIHMNKKL-QGMBQPNBSA-N -1 0 350.234 4.192 50 30 FIEARM COc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccc(SC)cc1 ZINC000006007491 207125299 /nfs/dbraw/zinc/12/52/99/207125299.db2.gz YONAWSHMCYTPNU-WOJGMQOQSA-N -1 0 356.476 4.220 50 30 FIEARM N#Cc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000007057223 207186335 /nfs/dbraw/zinc/18/63/35/207186335.db2.gz HUUOHODEWVFWEP-UHFFFAOYSA-N -1 0 360.744 4.031 50 30 FIEARM CCOc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2C)cc1OC ZINC000001475948 520853622 /nfs/dbraw/zinc/85/36/22/520853622.db2.gz AEPNIBDWKSJSHL-UDWIEESQSA-N -1 0 368.462 4.206 50 30 FIEARM Cc1ccc(/C=C\C(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)o1 ZINC000096134002 525962460 /nfs/dbraw/zinc/96/24/60/525962460.db2.gz STVKOWJWIDMXRQ-YPKPFQOOSA-N -1 0 367.426 4.285 50 30 FIEARM O=C1c2c(c(Cl)ccc2Cl)O/C1=C\c1cccc([O-])c1[N+](=O)[O-] ZINC000299738236 527119772 /nfs/dbraw/zinc/11/97/72/527119772.db2.gz LWDGUAVWGIVHBF-WDZFZDKYSA-N -1 0 352.129 4.223 50 30 FIEARM COc1ccc(CC/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1OC ZINC000003157658 570553138 /nfs/dbraw/zinc/55/31/38/570553138.db2.gz HAVZBWLBOBVGOB-KEBDBYFISA-N -1 0 354.233 4.378 50 30 FIEARM N#Cc1c(NC(=O)CC2(CC(=O)[O-])CCCCC2)sc2c1CCCC2 ZINC000024151064 570612712 /nfs/dbraw/zinc/61/27/12/570612712.db2.gz PRUUILOBIGVVLP-UHFFFAOYSA-N -1 0 360.479 4.252 50 30 FIEARM FC(F)c1n[n-]c(=S)n1N=Cc1ccc(Cc2ccccc2)s1 ZINC000002790340 570672063 /nfs/dbraw/zinc/67/20/63/570672063.db2.gz MULVCASGDXVJBI-GIJQJNRQSA-N -1 0 350.419 4.039 50 30 FIEARM CC(=Nc1ccc(C)cc1)c1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000104092814 570856772 /nfs/dbraw/zinc/85/67/72/570856772.db2.gz ZZITUKUMJMCRMN-DEDYPNTBSA-N -1 0 350.378 4.244 50 30 FIEARM C=CCSc1n[n-]c2nc3c(c(=O)n12)C1(CCCC1)Cc1ccccc1-3 ZINC000008656161 571054055 /nfs/dbraw/zinc/05/40/55/571054055.db2.gz VPXKJXAXPXTMDV-UHFFFAOYSA-N -1 0 364.474 4.143 50 30 FIEARM [O-]C(=[NH+]c1nc(C2CCCCC2)n[n-]1)N1CCc2c(Cl)cccc2C1 ZINC000055253931 571118825 /nfs/dbraw/zinc/11/88/25/571118825.db2.gz SYTHTAGXXIJJTH-UHFFFAOYSA-N -1 0 359.861 4.110 50 30 FIEARM CCCOc1ccccc1C=NNc1nnc2c3cc(C)ccc3nc-2[n-]1 ZINC000252594521 571284350 /nfs/dbraw/zinc/28/43/50/571284350.db2.gz BSZLAAXPNVCRBU-UHFFFAOYSA-N -1 0 360.421 4.049 50 30 FIEARM N#Cc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)cc1 ZINC000064795446 571320881 /nfs/dbraw/zinc/32/08/81/571320881.db2.gz DRKICEINPUXWLW-OAHLLOKOSA-N -1 0 374.421 4.459 50 30 FIEARM C[C@@H]1CCC[N@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cccs2)O3)C1 ZINC000020504033 571330159 /nfs/dbraw/zinc/33/01/59/571330159.db2.gz QSIQANCMADLMDY-CCOVPTLTSA-N -1 0 355.459 4.302 50 30 biogenic FIEARM Cc1cccc(N=Nc2c(=O)n(-c3ccccc3)[n-]c2-c2ccccc2)c1 ZINC000100532511 209215272 /nfs/dbraw/zinc/21/52/72/209215272.db2.gz PMZCSHPPTJJKSP-FLFQWRMESA-N -1 0 354.413 4.214 50 30 FIEARM CCN1C(=O)/C(=C/c2ccccc2)S/C1=N/c1cccc(C(=O)[O-])c1 ZINC000100310083 209211797 /nfs/dbraw/zinc/21/17/97/209211797.db2.gz OIUGRIXNIFLTPJ-NIPZQEADSA-N -1 0 352.415 4.009 50 30 FIEARM Cc1ccc(C(=O)C(/C=N/[O-])=NNc2cc(Cl)cc(Cl)c2)cc1 ZINC000100134054 209208456 /nfs/dbraw/zinc/20/84/56/209208456.db2.gz ABZZAINUSUOQJQ-DBZXCDMESA-N -1 0 350.205 4.413 50 30 FIEARM O=S(=O)([O-])c1cccc2c(/N=C/c3cc(Cl)ccc3O)cccc21 ZINC000005009675 207070350 /nfs/dbraw/zinc/07/03/50/207070350.db2.gz INASKSXQHVYRSY-VXLYETTFSA-N -1 0 361.806 4.196 50 30 FIEARM Cc1ccc(-c2nc(SCc3ccc(F)cc3)[n-]c(=O)c2C#N)cc1 ZINC000005238279 207088730 /nfs/dbraw/zinc/08/87/30/207088730.db2.gz RTZHRUUJHFRQTI-UHFFFAOYSA-N -1 0 351.406 4.048 50 30 FIEARM CC(C)(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(O)cc2)cc1 ZINC000005669429 207110677 /nfs/dbraw/zinc/11/06/77/207110677.db2.gz FXRMEWQEXBZFLT-UDWIEESQSA-N -1 0 352.463 4.493 50 30 FIEARM COc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(SC)cc2)c1 ZINC000006007349 207124926 /nfs/dbraw/zinc/12/49/26/207124926.db2.gz MMNMISLEBXDVML-WOJGMQOQSA-N -1 0 356.476 4.220 50 30 FIEARM COc1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc(Cl)c1OC ZINC000030755628 208004240 /nfs/dbraw/zinc/00/42/40/208004240.db2.gz XQBBTYCKDXTERC-UWVJOHFNSA-N -1 0 369.204 4.155 50 30 FIEARM CCc1ccc(O)c(/N=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])c1 ZINC000033922843 208100384 /nfs/dbraw/zinc/10/03/84/208100384.db2.gz CFHRCCFDYQCNHW-CAOOACKPSA-N -1 0 365.183 4.082 50 30 FIEARM N#CC(=C([O-])c1csc(-c2ccco2)n1)c1ccc(C(F)(F)F)cn1 ZINC000041552891 208284966 /nfs/dbraw/zinc/28/49/66/208284966.db2.gz PZAOAJOZQHZUHF-JTQLQIEISA-N -1 0 363.320 4.307 50 30 FIEARM CCC[C@@H]1CCc2c(C#N)c(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])sc2C1 ZINC000239025581 520828688 /nfs/dbraw/zinc/82/86/88/520828688.db2.gz BUXWHIOIEROXSL-VHDGCEQUSA-N -1 0 372.490 4.130 50 30 FIEARM COc1ccc(C(=O)/C=C\c2cccc(F)c2)cc1CSCC(=O)[O-] ZINC000096867702 523544748 /nfs/dbraw/zinc/54/47/48/523544748.db2.gz UZROSCRZZYGSNI-ALCCZGGFSA-N -1 0 360.406 4.048 50 30 FIEARM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C)n1Cc1ccco1 ZINC000054734627 524199824 /nfs/dbraw/zinc/19/98/24/524199824.db2.gz PBFMMQDMEZUTQD-QGZVFWFLSA-N -1 0 359.385 4.378 50 30 FIEARM Cc1ccc(/C=C/C(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)o1 ZINC000060101653 525952950 /nfs/dbraw/zinc/95/29/50/525952950.db2.gz STVKOWJWIDMXRQ-BUHFOSPRSA-N -1 0 367.426 4.285 50 30 FIEARM COc1cc(/N=C/c2cc(Cl)cc(Cl)c2[O-])cc(OC)c1OC ZINC000001026651 570472029 /nfs/dbraw/zinc/47/20/29/570472029.db2.gz BLPVEYJYZQHFNB-UFWORHAWSA-N -1 0 356.205 4.475 50 30 FIEARM Cc1nn(-c2ccccc2)cc1C=Nn1c(=S)[n-]nc1-c1cccs1 ZINC000001034605 570473264 /nfs/dbraw/zinc/47/32/64/570473264.db2.gz WHIPBRMXUDTUDU-VCHYOVAHSA-N -1 0 366.475 4.046 50 30 FIEARM CN(C)/C=C/C(=O)c1ccc(OCc2cccc(C(F)(F)F)c2)cc1[O-] ZINC000001402210 570498815 /nfs/dbraw/zinc/49/88/15/570498815.db2.gz CGVLSKSLRAMKKK-CMDGGOBGSA-N -1 0 365.351 4.248 50 30 FIEARM C[C@H](C(=O)[O-])n1cc(-c2cc(-c3ccco3)c(C#N)c(N)n2)c2ccccc21 ZINC000072143493 570525761 /nfs/dbraw/zinc/52/57/61/570525761.db2.gz JDORJADVLJLXRI-GFCCVEGCSA-N -1 0 372.384 4.063 50 30 FIEARM O=C1C(=O)N(c2nccs2)[C@H](c2cccs2)C1=C([O-])c1cccs1 ZINC000002601159 570526049 /nfs/dbraw/zinc/52/60/49/570526049.db2.gz HKHXNMGLXSNQJA-GFCCVEGCSA-N -1 0 374.468 4.049 50 30 FIEARM CC[C@H](C)c1ccc(O)c(N=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])c1 ZINC000252623086 570624647 /nfs/dbraw/zinc/62/46/47/570624647.db2.gz OJTCACJXAPKWJW-JTQLQIEISA-N -1 0 359.338 4.178 50 30 FIEARM C=CCn1c(=O)c2ccc(C(=O)Nc3cccc(CC)c3)cc2[n-]c1=S ZINC000016640073 570713512 /nfs/dbraw/zinc/71/35/12/570713512.db2.gz DWVYLWRMUFZSCH-UHFFFAOYSA-N -1 0 365.458 4.060 50 30 FIEARM O=C(Nc1cccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1)c1ccccc1 ZINC000003140484 570769795 /nfs/dbraw/zinc/76/97/95/570769795.db2.gz LUWGQBJXCRHUPK-FYJGNVAPSA-N -1 0 361.357 4.303 50 30 FIEARM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccc(-n2cccc2)cc1 ZINC000102147011 570827743 /nfs/dbraw/zinc/82/77/43/570827743.db2.gz QSUSONLONIGRQR-IBGZPJMESA-N -1 0 367.408 4.472 50 30 FIEARM COC(=O)c1ccc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cc1 ZINC000083895734 571057658 /nfs/dbraw/zinc/05/76/58/571057658.db2.gz WQIDANQSMYZEBR-ZDUSSCGKSA-N -1 0 370.817 4.226 50 30 FIEARM Cc1ccc(S(=O)([O-])=NC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000001234464 571069790 /nfs/dbraw/zinc/06/97/90/571069790.db2.gz LKSCULOZUNZBRB-UHFFFAOYSA-N -1 0 359.234 4.017 50 30 FIEARM N#CC(=C([O-])c1cccc2n[nH]cc21)c1nc2cc(Cl)ccc2s1 ZINC000071810551 571126116 /nfs/dbraw/zinc/12/61/16/571126116.db2.gz KZWDULUXZICKHP-LLVKDONJSA-N -1 0 352.806 4.316 50 30 FIEARM Cc1ccc(N=C(CC(=O)c2ccccc2)C(=O)[O-])cc1Br ZINC000001070532 571144876 /nfs/dbraw/zinc/14/48/76/571144876.db2.gz GFGAGWFQMWVVMU-XNTDXEJSSA-N -1 0 360.207 4.021 50 30 FIEARM CCOC(=O)c1c(/N=C/c2cccc([N+](=O)[O-])c2[O-])sc2c1CCCC2 ZINC000002205825 571284477 /nfs/dbraw/zinc/28/44/77/571284477.db2.gz FKCJFWZOOOIQJM-VXLYETTFSA-N -1 0 374.418 4.168 50 30 FIEARM Cc1ccc(C)c(N=C2S/C(=C\c3ccc(C(=O)[O-])cc3)C(=O)N2C)c1 ZINC000252611496 571285654 /nfs/dbraw/zinc/28/56/54/571285654.db2.gz IJXFZTGEUODQMA-GIKHVEQZSA-N -1 0 366.442 4.235 50 30 FIEARM O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc(-c3cn4ccccc4n3)cc2)c1 ZINC000252626045 571289051 /nfs/dbraw/zinc/28/90/51/571289051.db2.gz QVAMTURDTBCAAN-UHFFFAOYSA-N -1 0 358.357 4.366 50 30 FIEARM C=C1C[C@@H](O)[C@H](/C=C/[C@@H](O)CCCCC)[C@H]1C/C=C\CCCC(=O)[O-] ZINC000027640078 571319302 /nfs/dbraw/zinc/31/93/02/571319302.db2.gz VKEJXDXJUFQESA-DLMPNJEASA-N -1 0 350.499 4.238 50 30 in-vitro FIEARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000002793061 571341033 /nfs/dbraw/zinc/34/10/33/571341033.db2.gz NKTRLUSSRPFGFM-CABCVRRESA-N -1 0 372.490 4.274 50 30 FIEARM COc1ccc(/C=C\C(=O)c2cnc3sc(C(=O)[O-])c(C)c3c2)cc1 ZINC000097112649 209171175 /nfs/dbraw/zinc/17/11/75/209171175.db2.gz KMAPDXFPYWORLP-YVMONPNESA-N -1 0 353.399 4.208 50 30 FIEARM O=C([O-])c1ccc(NN=Cc2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000004725927 207042420 /nfs/dbraw/zinc/04/24/20/207042420.db2.gz XXMUGLFDRVLZQX-OEAKJJBVSA-N -1 0 370.412 4.229 50 30 FIEARM O=C([O-])c1cc(NN=Cc2ccccc2Br)ccc1Cl ZINC000004919769 207062656 /nfs/dbraw/zinc/06/26/56/207062656.db2.gz MWDPDWXZPIBRTI-CAOOACKPSA-N -1 0 353.603 4.247 50 30 FIEARM CN(C)c1ccc(C(N=Nc2ccccc2C(=O)[O-])c2ccccc2)cc1 ZINC000005248092 207090636 /nfs/dbraw/zinc/09/06/36/207090636.db2.gz FPSCYOFLEQGVMT-DARPEHSRSA-N -1 0 359.429 4.315 50 30 FIEARM COc1cccc(C=Nn2c(=S)[n-]nc2-c2cccc(Cl)c2)c1OC ZINC000006007374 207125661 /nfs/dbraw/zinc/12/56/61/207125661.db2.gz GABDBCRCQBATBI-VXLYETTFSA-N -1 0 374.853 4.160 50 30 FIEARM O=[N+]([O-])c1cc(C=Nn2c(=S)[n-]nc2-c2ccccc2)ccc1Cl ZINC000006062201 207127465 /nfs/dbraw/zinc/12/74/65/207127465.db2.gz YAQJTZQUJGVZTK-RQZCQDPDSA-N -1 0 359.798 4.051 50 30 FIEARM O=[N+]([O-])c1ccc(C=Nn2c(=S)[n-]nc2-c2cccc(Cl)c2)cc1 ZINC000006057892 207128324 /nfs/dbraw/zinc/12/83/24/207128324.db2.gz TYBBQCKGRJOPFE-RQZCQDPDSA-N -1 0 359.798 4.051 50 30 FIEARM CCOc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)c(OCC)c1 ZINC000009295968 207264007 /nfs/dbraw/zinc/26/40/07/207264007.db2.gz XQUAVKRADWNIPR-DEDYPNTBSA-N -1 0 368.462 4.287 50 30 FIEARM C=CCSc1ccccc1NC(=O)c1nn(-c2ccccc2)nc1C ZINC000023299879 570451333 /nfs/dbraw/zinc/45/13/33/570451333.db2.gz YIWOOQVCZAZCAN-UHFFFAOYSA-N -1 0 350.447 4.106 50 30 FIEARM CCc1ccc(-n2c(O)c(C=Nc3ccc(F)cc3)c(=O)[n-]c2=S)cc1 ZINC000101583474 570821578 /nfs/dbraw/zinc/82/15/78/570821578.db2.gz DYGXOUIBYYEWCR-SRZZPIQSSA-N -1 0 369.421 4.053 50 30 FIEARM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccc(-c2cnco2)cc1 ZINC000102126000 570827274 /nfs/dbraw/zinc/82/72/74/570827274.db2.gz FLLJXRLSQOZFPO-QGZVFWFLSA-N -1 0 369.380 4.337 50 30 FIEARM O=C1C(=O)N(Cc2ccccc2)[C@H](c2ccccc2)C1=C([O-])c1ccccc1 ZINC000104100316 570856742 /nfs/dbraw/zinc/85/67/42/570856742.db2.gz GRIXWAPABYNXIF-JBCNATCCSA-N -1 0 369.420 4.309 50 30 FIEARM O=C1C[C@@H](c2cccs2)CC2=Nc3nonc3N[C@@H](c3ccccc3)C12 ZINC000012409232 571093505 /nfs/dbraw/zinc/09/35/05/571093505.db2.gz ALRHUGTWLUJUSP-SJCJKPOMSA-N -1 0 364.430 4.111 50 30 FIEARM Cc1cccc(-c2nnc([NH+]=C([O-])N3CCc4c(Cl)cccc4C3)[n-]2)c1 ZINC000063868450 571140305 /nfs/dbraw/zinc/14/03/05/571140305.db2.gz KWXKXMCUBGFKCA-UHFFFAOYSA-N -1 0 367.840 4.037 50 30 FIEARM N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000001158528 571148084 /nfs/dbraw/zinc/14/80/84/571148084.db2.gz QCELPGGYCCCZSL-UHFFFAOYSA-N -1 0 350.399 4.151 50 30 FIEARM CCC[C@@H]1CCc2c(C#N)c(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])sc2C1 ZINC000005952187 571169290 /nfs/dbraw/zinc/16/92/90/571169290.db2.gz BRINQOKNWFCARM-SNPRPXQTSA-N -1 0 374.506 4.354 50 30 FIEARM C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(CC)cc3)cc2[n-]c1=S ZINC000012527483 571174559 /nfs/dbraw/zinc/17/45/59/571174559.db2.gz ZLWCUMCIHZQZOQ-UHFFFAOYSA-N -1 0 365.458 4.060 50 30 FIEARM O=C(/C=C/c1cc(Cl)cc2c1COCO2)c1cc(Cl)ccc1[O-] ZINC000004771660 571233953 /nfs/dbraw/zinc/23/39/53/571233953.db2.gz RZLKOFUCVXQTGI-HNQUOIGGSA-N -1 0 351.185 4.462 50 30 FIEARM C[C@@H](Oc1ccc(C(=O)/C=C/c2ccccc2C(F)(F)F)cc1)C(=O)[O-] ZINC000006628306 571237794 /nfs/dbraw/zinc/23/77/94/571237794.db2.gz FKXUXHFGMHGAJZ-JATZPVMKSA-N -1 0 364.319 4.453 50 30 FIEARM CC(C)Cc1ccc(-c2csc(NC(=O)CCC(=O)[O-])c2C#N)cc1 ZINC000017073623 571274907 /nfs/dbraw/zinc/27/49/07/571274907.db2.gz DAHXYKJNYWUWSK-UHFFFAOYSA-N -1 0 356.447 4.289 50 30 FIEARM O=[N+]([O-])c1cccc(C=Nc2ccc3c(c2)ncn3-c2ccccc2)c1[O-] ZINC000252632001 571290043 /nfs/dbraw/zinc/29/00/43/571290043.db2.gz VNWZUWZGTYYILC-UHFFFAOYSA-N -1 0 358.357 4.390 50 30 FIEARM N#Cc1c(OCc2ccccc2)[n-]sc1=NC(=O)Oc1ccccc1 ZINC000022006808 571336383 /nfs/dbraw/zinc/33/63/83/571336383.db2.gz LMBGZNPXUVCPKZ-UHFFFAOYSA-N -1 0 351.387 4.205 50 30 FIEARM FC(F)(F)c1n[n-]c(=S)n1N=Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000002808623 571341243 /nfs/dbraw/zinc/34/12/43/571341243.db2.gz FOQYJELUGUSLJC-FBCYGCLPSA-N -1 0 372.759 4.381 50 30 FIEARM C=CCn1c(-c2ccccc2)csc1=Nc1ccc(O)c(C(=O)[O-])c1 ZINC000000728074 209374632 /nfs/dbraw/zinc/37/46/32/209374632.db2.gz BZDPOFDBCNMGRB-UHFFFAOYSA-O -1 0 353.423 4.036 50 30 FIEARM CN1CCc2ccc(C([O-])=C(C#N)c3nc4cc(Cl)ccc4s3)cc21 ZINC000097117150 209171845 /nfs/dbraw/zinc/17/18/45/209171845.db2.gz SCQMRWMRKMYEEN-CQSZACIVSA-N -1 0 367.861 4.432 50 30 FIEARM N#Cc1ccccc1S(=O)(=O)[N-]c1ccccc1Oc1ccccc1 ZINC000016148071 220180234 /nfs/dbraw/zinc/18/02/34/220180234.db2.gz SVMRHWNSNBANDZ-UHFFFAOYSA-N -1 0 350.399 4.151 50 30 FIEARM CCCC(=O)Nc1ccc(/N=C/c2cc([N+](=O)[O-])cc(OCC)c2[O-])cc1 ZINC000004591261 207030286 /nfs/dbraw/zinc/03/02/86/207030286.db2.gz BOWAVYCGTNTPKR-UDWIEESQSA-N -1 0 371.393 4.188 50 30 FIEARM O=C([O-])C(=O)/C(=C\c1ccccc1OC(F)F)c1ccc2ccccc2n1 ZINC000004882635 207058390 /nfs/dbraw/zinc/05/83/90/207058390.db2.gz ZNXNATUOKXCRGX-KAMYIIQDSA-N -1 0 369.323 4.031 50 30 FIEARM O=[N+]([O-])c1ccccc1C=CC=Nn1c(=S)[n-]nc1-c1ccccc1 ZINC000006230952 207134770 /nfs/dbraw/zinc/13/47/70/207134770.db2.gz GTLZQVGIRQXKBP-VDUTWIJRSA-N -1 0 351.391 4.063 50 30 FIEARM CCN1Cc2c(C(=O)[O-])c3ccccc3nc2/C(=C/c2ccc(C#N)cc2)C1 ZINC000006496951 207142435 /nfs/dbraw/zinc/14/24/35/207142435.db2.gz MDSKYJCEKRCWKQ-GZTJUZNOSA-N -1 0 369.424 4.181 50 30 FIEARM CCCNc1c2ccccc2oc(=O)c1/N=C(\[O-])Nc1ccc(F)cc1 ZINC000028048843 207946558 /nfs/dbraw/zinc/94/65/58/207946558.db2.gz MGTTYCBKVQHFFE-UHFFFAOYSA-N -1 0 355.369 4.412 50 30 FIEARM Cc1ccc(N=NC(C(=O)C(F)(F)F)=C([O-])c2ccc(Cl)cc2)cc1 ZINC000027015728 207925914 /nfs/dbraw/zinc/92/59/14/207925914.db2.gz CQRMGKKVHPUGDX-UCQKPKSFSA-N -1 0 368.742 4.431 50 30 FIEARM CCCCCCCc1c(C)[n-]n(S(=O)(=O)c2ccccc2Cl)c1=O ZINC000095719306 209085249 /nfs/dbraw/zinc/08/52/49/209085249.db2.gz SQOFIZQRWLWCEC-CQSZACIVSA-N -1 0 370.902 4.224 50 30 FIEARM CC1=NN(c2ccc(C([O-])=C(C#N)c3nc4ccccc4s3)cc2)CC1 ZINC000048824473 520893473 /nfs/dbraw/zinc/89/34/73/520893473.db2.gz WPXBHIIYPPAGEP-INIZCTEOSA-N -1 0 360.442 4.372 50 30 FIEARM COc1ccc(C(=O)/C=C\c2ccccc2F)cc1CSCC(=O)[O-] ZINC000096891489 523544990 /nfs/dbraw/zinc/54/49/90/523544990.db2.gz IWSMJDZVBPOHJF-VURMDHGXSA-N -1 0 360.406 4.048 50 30 FIEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2c(C)c(C)c(C)c(C)c2C)n1 ZINC000008395167 526426992 /nfs/dbraw/zinc/42/69/92/526426992.db2.gz HMNVIQLPXWPDSZ-MRXNPFEDSA-N -1 0 370.474 4.027 50 30 FIEARM O=C([O-])COc1ccc(/C=C\C(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000033393459 527617497 /nfs/dbraw/zinc/61/74/97/527617497.db2.gz FOQYGUONWULVMU-TWGQIWQCSA-N -1 0 350.292 4.065 50 30 FIEARM S=c1[n-]nc(-c2ccccc2)n1N=Cc1ccccc1Br ZINC000001473754 570501277 /nfs/dbraw/zinc/50/12/77/570501277.db2.gz GAANKWCOVACVSR-LICLKQGHSA-N -1 0 359.252 4.252 50 30 FIEARM N#CC(=C([O-])C(=O)Nc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1 ZINC000001613693 570503023 /nfs/dbraw/zinc/50/30/23/570503023.db2.gz HWRWLUYLFXQSSP-CQSZACIVSA-N -1 0 366.726 4.174 50 30 FIEARM CCOC(=O)c1c(C)c(C)sc1/N=C/c1cc([N+](=O)[O-])cc(C)c1[O-] ZINC000035396485 570585360 /nfs/dbraw/zinc/58/53/60/570585360.db2.gz JYBVFEHRBUFCDY-QGMBQPNBSA-N -1 0 362.407 4.214 50 30 FIEARM Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C(=O)[O-])c2ccccc2)n1 ZINC000022866725 570695405 /nfs/dbraw/zinc/69/54/05/570695405.db2.gz RPOJBRMBSZCPCZ-ZDUSSCGKSA-N -1 0 352.337 4.199 50 30 FIEARM Cc1cc(C)cc(OCCC(=O)[N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000048495978 570956659 /nfs/dbraw/zinc/95/66/59/570956659.db2.gz QHCBPDMLNILZQM-UHFFFAOYSA-N -1 0 367.854 4.071 50 30 FIEARM O=C(CCCC1CCCCC1)[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000071808809 571126094 /nfs/dbraw/zinc/12/60/94/571126094.db2.gz LQVOJDCVGLVQMS-UHFFFAOYSA-N -1 0 367.496 4.087 50 30 FIEARM CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CCCC(=O)[O-])sc2C1 ZINC000005950867 571169370 /nfs/dbraw/zinc/16/93/70/571169370.db2.gz MFEDSQMALVBNER-LBPRGKRZSA-N -1 0 362.495 4.354 50 30 FIEARM O=C1c2ccccc2C(=O)C1=C([O-])C=Cc1ccc(Br)cc1 ZINC000002271770 571294369 /nfs/dbraw/zinc/29/43/69/571294369.db2.gz MRMBVOJGMKTRLY-JXMROGBWSA-N -1 0 355.187 4.197 50 30 FIEARM N#Cc1c2c(sc1[N-]S(=O)(=O)c1ccc(Cl)cc1)CCCCC2 ZINC000002752411 571340839 /nfs/dbraw/zinc/34/08/39/571340839.db2.gz IFCRNAYYIPFKCN-UHFFFAOYSA-N -1 0 366.895 4.343 50 30 FIEARM COc1ccc([C@@H]2CC(=O)C=C(Nc3ccc(CC(=O)[O-])cc3)C2)cc1 ZINC000104087991 209499621 /nfs/dbraw/zinc/49/96/21/209499621.db2.gz AKYGANLDALJVNW-NLFAIWHDSA-N -1 0 351.402 4.414 50 30 FIEARM N#CC(=C([O-])c1c(F)c(F)c(F)c(F)c1F)c1cc2ccccc2cn1 ZINC000002373052 209395611 /nfs/dbraw/zinc/39/56/11/209395611.db2.gz DHEUACRQWMDONW-SNVBAGLBSA-N -1 0 362.257 4.420 50 30 FIEARM [O-]c1c(Cl)cc(Cl)cc1/C=N/c1ccc(CN2CCOCC2)cc1 ZINC000096586278 209155875 /nfs/dbraw/zinc/15/58/75/209155875.db2.gz MWIVILUICSFWDU-SRZZPIQSSA-N -1 0 365.260 4.282 50 30 FIEARM COc1cc([O-])c(C(=O)/C=C/c2cccc(Br)c2)c(OC)c1 ZINC000004252501 207008922 /nfs/dbraw/zinc/00/89/22/207008922.db2.gz HULOKJPQNJZXKY-VOTSOKGWSA-N -1 0 363.207 4.068 50 30 FIEARM Cc1ccc(/N=C2\S/C(=C/c3ccc(C(=O)[O-])cc3)C(=O)N2C)cc1C ZINC000004660328 207036066 /nfs/dbraw/zinc/03/60/66/207036066.db2.gz BPIGTWSXVILZIK-OUYOUGTCSA-N -1 0 366.442 4.235 50 30 FIEARM COc1cc(Cl)cc(C=Nn2c(=S)[n-]nc2-c2ccc(C)cc2)c1O ZINC000006857961 207172388 /nfs/dbraw/zinc/17/23/88/207172388.db2.gz OHNIDECNXRNZMZ-DJKKODMXSA-N -1 0 374.853 4.166 50 30 FIEARM CCc1c(S[C@@H](C(=O)[O-])c2ccccc2)nc(C#N)c2c1CCCC2 ZINC000071328739 208763352 /nfs/dbraw/zinc/76/33/52/208763352.db2.gz FNWNPSVHUSCSNM-GOSISDBHSA-N -1 0 352.459 4.312 50 30 FIEARM C=C(C)Cn1c(SCC(=O)[O-])nnc1-c1ccc(Cl)cc1Cl ZINC000004851424 518640735 /nfs/dbraw/zinc/64/07/35/518640735.db2.gz IHWXAVZUMXCSRP-UHFFFAOYSA-N -1 0 358.250 4.005 50 30 FIEARM C=CCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000085221253 518701598 /nfs/dbraw/zinc/70/15/98/518701598.db2.gz LRSIYGFZZWFAAI-HXUWFJFHSA-N -1 0 365.429 4.335 50 30 FIEARM C=CCc1ccc(OCCCCOc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000002994796 519135705 /nfs/dbraw/zinc/13/57/05/519135705.db2.gz CLLBNUPLAROHBC-UHFFFAOYSA-N -1 0 356.418 4.360 50 30 FIEARM CCOc1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1OC ZINC000001306982 520854304 /nfs/dbraw/zinc/85/43/04/520854304.db2.gz SSNMHSHQMKVWNM-UDWIEESQSA-N -1 0 368.462 4.206 50 30 FIEARM COc1cc(/C=C2/Sc3cc(C)ccc3C2=O)ccc1OCCC(=O)[O-] ZINC000328599181 521957839 /nfs/dbraw/zinc/95/78/39/521957839.db2.gz QIBPGNPUAOBZPI-WOJGMQOQSA-N -1 0 370.426 4.187 50 30 FIEARM O=C1c2c(c(Cl)ccc2Cl)O/C1=C\c1ccc([O-])c([N+](=O)[O-])c1 ZINC000299738154 527119450 /nfs/dbraw/zinc/11/94/50/527119450.db2.gz CGSSZIOWCOAFIM-SDQBBNPISA-N -1 0 352.129 4.223 50 30 FIEARM O=C1c2cc(Cl)cc(Cl)c2O/C1=C\c1ccc([O-])c([N+](=O)[O-])c1 ZINC000299738293 527121150 /nfs/dbraw/zinc/12/11/50/527121150.db2.gz RECKTRUBLXDZRU-PQMHYQBVSA-N -1 0 352.129 4.223 50 30 FIEARM O=C(CCc1ccccc1Br)[N-]S(=O)(=O)C1CCCCC1 ZINC000058076787 527158974 /nfs/dbraw/zinc/15/89/74/527158974.db2.gz VCAWTXGKNSDFNO-UHFFFAOYSA-N -1 0 374.300 4.001 50 30 FIEARM COc1ccc(-c2n[n-]c(=S)n2N=Cc2cccc(Cl)c2)cc1OC ZINC000001475968 570501287 /nfs/dbraw/zinc/50/12/87/570501287.db2.gz VLMIOPKYZSJVTI-VXLYETTFSA-N -1 0 374.853 4.160 50 30 FIEARM C[P@@](=O)([O-])O[C@@H](c1ccccc1)C(F)(F)C(F)(F)OC(F)(F)F ZINC000004936198 570562329 /nfs/dbraw/zinc/56/23/29/570562329.db2.gz YOLCKSNGFPXNQE-QMMMGPOBSA-N -1 0 370.157 4.324 50 30 FIEARM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccc(-n2cccc2)cc1 ZINC000102147014 570827735 /nfs/dbraw/zinc/82/77/35/570827735.db2.gz QSUSONLONIGRQR-LJQANCHMSA-N -1 0 367.408 4.472 50 30 FIEARM COc1ccccc1N=CC(C(=O)C(F)(F)F)=C([O-])c1cccs1 ZINC000104956611 570865211 /nfs/dbraw/zinc/86/52/11/570865211.db2.gz RLTSBAFLDPXVNW-MDZDMXLPSA-N -1 0 355.337 4.067 50 30 FIEARM C=CCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(C(C)C)cc2)c1=O ZINC000012414645 571096121 /nfs/dbraw/zinc/09/61/21/571096121.db2.gz SLCFDPOXWKBQQA-UHFFFAOYSA-N -1 0 362.429 4.269 50 30 FIEARM C=CCOc1ccc(COc2ccc(CC(=O)[O-])cc2OC)cc1Cl ZINC000005675531 571103044 /nfs/dbraw/zinc/10/30/44/571103044.db2.gz GCKMFQAJIUDYRW-UHFFFAOYSA-N -1 0 362.809 4.120 50 30 FIEARM O=[N+]([O-])c1ccc(NCC/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000095857686 571276423 /nfs/dbraw/zinc/27/64/23/571276423.db2.gz TZQDTQHPWRYIAP-GIJQJNRQSA-N -1 0 354.193 4.138 50 30 FIEARM C[C@H]1CCCC[N@@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccs1)O2 ZINC000020503986 571330188 /nfs/dbraw/zinc/33/01/88/571330188.db2.gz VAGQRUHSUPTKRQ-FHNWIRHTSA-N -1 0 355.459 4.444 50 30 biogenic FIEARM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1 ZINC000003435884 571349670 /nfs/dbraw/zinc/34/96/70/571349670.db2.gz KMCFMRVDJFXYJT-UHFFFAOYSA-N -1 0 350.399 4.151 50 30 FIEARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@H](c1ccc(Cl)cc1)C(C#N)C#N ZINC000101512489 209227572 /nfs/dbraw/zinc/22/75/72/209227572.db2.gz WJSYTJVVSMPQNC-RBUKOAKNSA-N -1 0 362.820 4.126 50 30 FIEARM CC(C)N1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)S/C1=N\c1ccccc1 ZINC000004660326 207035174 /nfs/dbraw/zinc/03/51/74/207035174.db2.gz CVGFQPNVJZOWJN-MSYUKONTSA-N -1 0 366.442 4.397 50 30 FIEARM O=C([O-])C(=O)/C(=C\c1ccccc1C(F)(F)F)c1ccc2ccccc2n1 ZINC000006548957 207145601 /nfs/dbraw/zinc/14/56/01/207145601.db2.gz WAWISSQZPGUGIC-KAMYIIQDSA-N -1 0 371.314 4.448 50 30 FIEARM COc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)cc1Br ZINC000007717710 207203705 /nfs/dbraw/zinc/20/37/05/207203705.db2.gz UDRGJFBBEVJYIG-XBXARRHUSA-N -1 0 361.191 4.052 50 30 FIEARM CCCCCCCCCCCNC(=O)c1c([O-])c2ccccc2[nH]c1=O ZINC000002250369 520014775 /nfs/dbraw/zinc/01/47/75/520014775.db2.gz FXRLLEBODYTPTK-UHFFFAOYSA-N -1 0 358.482 4.494 50 30 FIEARM CCCCCCCCCNC(=O)c1c([O-])c2ccccc2n(CC)c1=O ZINC000299738331 520026980 /nfs/dbraw/zinc/02/69/80/520026980.db2.gz WMWSSLVPSSDNRU-UHFFFAOYSA-N -1 0 358.482 4.207 50 30 FIEARM CCCCCOc1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1OC ZINC000004137347 520251105 /nfs/dbraw/zinc/25/11/05/520251105.db2.gz CQOICJYSPGNKFX-KGENOOAVSA-N -1 0 356.422 4.408 50 30 FIEARM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C)n1-c1cccnc1 ZINC000059590460 524198472 /nfs/dbraw/zinc/19/84/72/524198472.db2.gz VDEMAWVKXQWTRW-QGZVFWFLSA-N -1 0 356.385 4.120 50 30 FIEARM O=C([O-])[C@@H](CCCCNC(=O)c1ccccc1)NC(=O)C1CCCCC1 ZINC000082056148 527644015 /nfs/dbraw/zinc/64/40/15/527644015.db2.gz KDSGHTVZNSRDPL-QGZVFWFLSA-N -1 0 360.454 4.152 50 30 FIEARM Cc1ccc(C)c(NC(=O)C([O-])=C(C#N)c2c(Cl)cccc2Cl)c1 ZINC000001613722 570502811 /nfs/dbraw/zinc/50/28/11/570502811.db2.gz ZRRBYYIOLPSPFH-GFCCVEGCSA-N -1 0 361.228 4.425 50 30 FIEARM S=c1[n-]nc(-c2ccccc2)n1N=Cc1cccc(Br)c1 ZINC000001755219 570506855 /nfs/dbraw/zinc/50/68/55/570506855.db2.gz GESPWZBVNAYMDX-LICLKQGHSA-N -1 0 359.252 4.252 50 30 FIEARM COc1ccc(/C=C/C(=O)c2cc(Br)ccc2[O-])c(OC)c1 ZINC000005047281 570579311 /nfs/dbraw/zinc/57/93/11/570579311.db2.gz BXFYLSHHGBFFSH-QPJJXVBHSA-N -1 0 363.207 4.068 50 30 biogenic FIEARM CCc1ccc(N=C2S/C(=C\c3ccc(C(=O)[O-])cc3)C(=O)N2C)cc1 ZINC000252620679 571287476 /nfs/dbraw/zinc/28/74/76/571287476.db2.gz MJOBUCCHOSZYLY-VTPWGRHDSA-N -1 0 366.442 4.181 50 30 FIEARM O=c1c(N=Nc2ccc(F)cc2)c(-c2ccccc2)[n-]n1-c1ccccc1 ZINC000252628902 571289420 /nfs/dbraw/zinc/28/94/20/571289420.db2.gz TUJFRZARPRKWLS-UHFFFAOYSA-N -1 0 358.376 4.045 50 30 FIEARM N#Cc1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])sc2c1CCCCCC2 ZINC000002747586 571340707 /nfs/dbraw/zinc/34/07/07/571340707.db2.gz QSFQDICYVNWTAA-KGLIPLIRSA-N -1 0 360.479 4.108 50 30 FIEARM CCc1ccc(/N=C2\S/C(=C/c3ccc(C(=O)[O-])cc3)C(=O)N2C)cc1 ZINC000017075242 211177476 /nfs/dbraw/zinc/17/74/76/211177476.db2.gz MJOBUCCHOSZYLY-MSYUKONTSA-N -1 0 366.442 4.181 50 30 FIEARM COc1cc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)ccc1OCC#N ZINC000005825161 210643257 /nfs/dbraw/zinc/64/32/57/210643257.db2.gz GSRUTBQLCIQAQY-SOFGYWHQSA-N -1 0 360.369 4.014 50 30 FIEARM COC(=O)c1c(C)[nH]c(/C=N/c2ccc(C(=O)[O-])cc2)c1-c1ccccc1 ZINC000002267733 210389118 /nfs/dbraw/zinc/38/91/18/210389118.db2.gz QHISRAGSHMQNJR-WSDLNYQXSA-N -1 0 362.385 4.226 50 30 FIEARM CCN(CC)c1ccc(C=Nn2c(=S)[n-]nc2C2CCCCC2)c(O)c1 ZINC000002356631 210393859 /nfs/dbraw/zinc/39/38/59/210393859.db2.gz NKOSLKVHYDGYKN-DEDYPNTBSA-N -1 0 373.526 4.422 50 30 FIEARM Cc1noc(-c2cc(S(=O)(=O)[N-]c3ccc(C#N)cc3)c(C)s2)c1C ZINC000096323548 222115034 /nfs/dbraw/zinc/11/50/34/222115034.db2.gz RIGHAUPTWFRZBO-UHFFFAOYSA-N -1 0 373.459 4.001 50 30 FIEARM Cc1noc(-c2cc(S(=O)(=O)[N-]c3cccc(C#N)c3)c(C)s2)c1C ZINC000096323553 222115437 /nfs/dbraw/zinc/11/54/37/222115437.db2.gz CMQXHROEWRHEFV-UHFFFAOYSA-N -1 0 373.459 4.001 50 30 FIEARM C[C@@H](Oc1ccc(C(=O)/C=C\c2ccccc2C(F)(F)F)cc1)C(=O)[O-] ZINC000033466936 525922497 /nfs/dbraw/zinc/92/24/97/525922497.db2.gz FKXUXHFGMHGAJZ-NXIHDVOMSA-N -1 0 364.319 4.453 50 30 FIEARM Cc1ccc(C)c(/N=C2\S/C(=C/c3ccc(C(=O)[O-])cc3)C(=O)N2C)c1 ZINC000004660323 570598917 /nfs/dbraw/zinc/59/89/17/570598917.db2.gz IJXFZTGEUODQMA-OUYOUGTCSA-N -1 0 366.442 4.235 50 30 FIEARM Cc1ccccc1-c1n[n-]c(=S)n1N=Cc1cc([N+](=O)[O-])ccc1Cl ZINC000006056263 570640640 /nfs/dbraw/zinc/64/06/40/570640640.db2.gz HOKUCMSKHVCNNO-GIJQJNRQSA-N -1 0 373.825 4.360 50 30 FIEARM Cc1cc(N(C)/N=C/c2ccccc2Cl)nc(-c2ccccc2[O-])n1 ZINC000004713188 570670895 /nfs/dbraw/zinc/67/08/95/570670895.db2.gz XFLFGWDYZFDGAN-CIAFOILYSA-N -1 0 352.825 4.281 50 30 FIEARM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)C2(c3ccc(F)cc3)CCC2)c1 ZINC000048472173 570955614 /nfs/dbraw/zinc/95/56/14/570955614.db2.gz YLQZOAPJADYKKK-UHFFFAOYSA-N -1 0 361.438 4.210 50 30 FIEARM N#CC(=C([O-])c1c(F)c(F)c(F)c(F)c1F)c1cc2ccccc2cn1 ZINC000002373055 571320006 /nfs/dbraw/zinc/32/00/06/571320006.db2.gz DHEUACRQWMDONW-JTQLQIEISA-N -1 0 362.257 4.420 50 30 FIEARM CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H](C(=O)[O-])C1 ZINC000002793060 571341073 /nfs/dbraw/zinc/34/10/73/571341073.db2.gz NKTRLUSSRPFGFM-GJZGRUSLSA-N -1 0 372.490 4.274 50 30 FIEARM COc1ccc2cc(CSc3[n-]c(=O)cc(C)c3C#N)c(Cl)nc2c1 ZINC000007985204 571358103 /nfs/dbraw/zinc/35/81/03/571358103.db2.gz VSOUGGXNLHJHOP-UHFFFAOYSA-N -1 0 371.849 4.058 50 30 FIEARM O=C([O-])C(=O)/C(=C\c1ccc(OC(F)F)cc1)c1ccc2ccccc2n1 ZINC000006831469 1092050220 /nfs/dbraw/zinc/05/02/20/1092050220.db2.gz JLKAWADELWEAGT-PTNGSMBKSA-N -1 0 369.323 4.031 50 30 FIEARM N#Cc1c(NC(=O)CC2(C(=O)[O-])CCCCC2)sc2c1CCCCC2 ZINC000016482424 220184825 /nfs/dbraw/zinc/18/48/25/220184825.db2.gz YVQAJSNXGZYQEF-UHFFFAOYSA-N -1 0 360.479 4.252 50 30 FIEARM CCc1ccc(O)c(/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])c1 ZINC000015134185 211123127 /nfs/dbraw/zinc/12/31/27/211123127.db2.gz KZQORDYQRJQBDG-CAOOACKPSA-N -1 0 365.183 4.082 50 30 FIEARM N#CCOc1ccccc1/C=C(\CC(=O)[O-])c1nc2ccccc2s1 ZINC000013350839 211029977 /nfs/dbraw/zinc/02/99/77/211029977.db2.gz HEQIBZLRXDHQDP-SDNWHVSQSA-N -1 0 350.399 4.214 50 30 FIEARM O=[N+]([O-])c1cc(C(=N[O-])c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl ZINC000002246037 210387213 /nfs/dbraw/zinc/38/72/13/210387213.db2.gz AHGATCWFKAVUJR-UHFFFAOYSA-N -1 0 356.121 4.036 50 30 FIEARM N#Cc1c(=O)[n-]c(-c2ccc(Br)cc2)cc1-c1ccccc1 ZINC000001045804 210307909 /nfs/dbraw/zinc/30/79/09/210307909.db2.gz OBUFZKRFNYRUQL-UHFFFAOYSA-N -1 0 351.203 4.343 50 30 FIEARM O=C(C(N=Nc1ccc(Cl)cc1)=C([O-])c1cccs1)C(F)(F)F ZINC000027024596 220529283 /nfs/dbraw/zinc/52/92/83/220529283.db2.gz NEYZVKYVKWBMIG-JAIQZWGSSA-N -1 0 360.744 4.184 50 30 FIEARM N#Cc1c(NC(=O)CC2(C(=O)[O-])CCCC2)sc2c1CCCCCC2 ZINC000071817320 221379927 /nfs/dbraw/zinc/37/99/27/221379927.db2.gz TZTOGQKBLFQSGP-UHFFFAOYSA-N -1 0 360.479 4.252 50 30 FIEARM CCN1C(=O)/C(=C/c2ccc(F)cc2)S/C1=N/c1cccc(C(=O)[O-])c1 ZINC000100309245 222240984 /nfs/dbraw/zinc/24/09/84/222240984.db2.gz QCTHQSRFQADWJO-PMDYYOJLSA-N -1 0 370.405 4.148 50 30 FIEARM CN1C(=O)C(=O)C(=C([O-])c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000102932980 222315089 /nfs/dbraw/zinc/31/50/89/222315089.db2.gz IIZRIARZNVAOQM-DPEHCCBOSA-N -1 0 362.212 4.045 50 30 FIEARM CCOc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2F)cc1OC ZINC000005408580 263341302 /nfs/dbraw/zinc/34/13/02/263341302.db2.gz LTIZFSZOUXLACB-RGVLZGJSSA-N -1 0 372.425 4.036 50 30 FIEARM CCOc1ccc(C=Nn2c(=S)[n-]nc2C2CCCCC2)cc1OC ZINC000001475376 520854670 /nfs/dbraw/zinc/85/46/70/520854670.db2.gz CEAFSWQAMYWBDV-XDHOZWIPSA-N -1 0 360.483 4.278 50 30 FIEARM CCOC(=O)c1c(/N=C\c2ccc([O-])c([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000100210268 521376050 /nfs/dbraw/zinc/37/60/50/521376050.db2.gz ICSGFGVJPAZMRV-GRSHGNNSSA-N -1 0 374.418 4.168 50 30 FIEARM Cc1cccc(N=C([N-]C(=O)C(F)(F)F)Nc2nc(C)cc(C)n2)c1 ZINC000004740148 570603961 /nfs/dbraw/zinc/60/39/61/570603961.db2.gz NMBKGYHNBBPPLK-UHFFFAOYSA-N -1 0 351.332 4.020 50 30 FIEARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@H](c1ccc(Cl)cc1)C(C#N)C#N ZINC000005482653 570662538 /nfs/dbraw/zinc/66/25/38/570662538.db2.gz WJSYTJVVSMPQNC-RTBURBONSA-N -1 0 362.820 4.126 50 30 FIEARM CCOc1ccc2ccccc2c1C=Nn1c(=S)[n-]nc1C(F)(F)F ZINC000005444703 571043309 /nfs/dbraw/zinc/04/33/09/571043309.db2.gz GSKJLFWCLVCSKV-AWQFTUOYSA-N -1 0 366.368 4.020 50 30 FIEARM O=[N+]([O-])c1cccc(/C=N/c2ccc3c(c2)ncn3-c2ccccc2)c1[O-] ZINC000005016501 571072741 /nfs/dbraw/zinc/07/27/41/571072741.db2.gz VNWZUWZGTYYILC-CIAFOILYSA-N -1 0 358.357 4.390 50 30 FIEARM CCOC(=O)C1=C([O-])c2ccccc2C(=O)C1=Cc1ccc(Cl)cc1 ZINC000005790921 571111731 /nfs/dbraw/zinc/11/17/31/571111731.db2.gz XALGXMSLIFOLNZ-WJDWOHSUSA-N -1 0 354.789 4.452 50 30 FIEARM N#Cc1c(=O)[n-]c(-c2cccs2)cc1-c1cccc(Br)c1 ZINC000013920110 571136695 /nfs/dbraw/zinc/13/66/95/571136695.db2.gz NEIOHLNVFJIBGY-UHFFFAOYSA-N -1 0 357.232 4.405 50 30 FIEARM CCN1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)SC1=Nc1ccccc1 ZINC000252618911 571286575 /nfs/dbraw/zinc/28/65/75/571286575.db2.gz LKRTYQYRYYIYAJ-ZQFDHWOPSA-N -1 0 352.415 4.009 50 30 FIEARM N#CCSc1[n-]c(=O)c(-c2nc(-c3ccccc3)cs2)cc1C#N ZINC000007738459 571287800 /nfs/dbraw/zinc/28/78/00/571287800.db2.gz ZZQMFLDSEFVQEA-UHFFFAOYSA-N -1 0 350.428 4.065 50 30 FIEARM COc1ccc(OC)c(/N=C/c2c(C)c(Cl)c(C)c([N+](=O)[O-])c2[O-])c1 ZINC000003114216 571344806 /nfs/dbraw/zinc/34/48/06/571344806.db2.gz BTSQVWWVWBCGFX-UFWORHAWSA-N -1 0 364.785 4.338 50 30 FIEARM Cc1cc(C(=O)[O-])ccc1-c1ccc(C=C2C(=O)c3ccccc3C2=O)o1 ZINC000000636707 210255311 /nfs/dbraw/zinc/25/53/11/210255311.db2.gz NLEPGQFWBLATKB-UHFFFAOYSA-N -1 0 358.349 4.416 50 30 FIEARM C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)[O-])cc3)o2)SC1=S ZINC000027472553 210161615 /nfs/dbraw/zinc/16/16/15/210161615.db2.gz HDWIFHNHYUITFB-XNTDXEJSSA-N -1 0 371.439 4.032 50 30 FIEARM O=C1c2ccccc2C(=O)C1=Cc1cc(Cl)c([O-])c(Br)c1 ZINC000001143861 219380744 /nfs/dbraw/zinc/38/07/44/219380744.db2.gz FWSAWCQMBZMYTH-UHFFFAOYSA-N -1 0 363.594 4.271 50 30 FIEARM N#Cc1c(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)sc2c1CCCCC2 ZINC000013255701 211028901 /nfs/dbraw/zinc/02/89/01/211028901.db2.gz YDLVXHSRVLWGQZ-OAHLLOKOSA-N -1 0 368.458 4.086 50 30 FIEARM COc1ccc(C(=O)/C=C/c2ccc(C)cc2)cc1CSCC(=O)[O-] ZINC000007913170 210760220 /nfs/dbraw/zinc/76/02/20/210760220.db2.gz HJJGDHWDRFXNMV-VQHVLOKHSA-N -1 0 356.443 4.218 50 30 FIEARM Clc1ccc(C=NNc2nnc3c4ccccc4nc-3[n-]2)c(Cl)c1 ZINC000003897898 210497007 /nfs/dbraw/zinc/49/70/07/210497007.db2.gz MRPRHUKQPQVHEP-UFWORHAWSA-N -1 0 357.204 4.259 50 30 FIEARM CCCCCCCCCOc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1 ZINC000002236587 210385626 /nfs/dbraw/zinc/38/56/26/210385626.db2.gz LDNVDNNGBCAHQZ-UHFFFAOYSA-N -1 0 358.438 4.406 50 30 FIEARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@H](c1cccc(Cl)c1)C(C#N)C#N ZINC000001064618 210312269 /nfs/dbraw/zinc/31/22/69/210312269.db2.gz JWGRSBYMWCYBHG-RTBURBONSA-N -1 0 362.820 4.126 50 30 FIEARM CCCCCCCc1c(C)[n-]n(-c2nnc3c4ccccc4[nH]c3n2)c1=O ZINC000100365790 222241769 /nfs/dbraw/zinc/24/17/69/222241769.db2.gz XYSZYAKWMKNXQI-UHFFFAOYSA-N -1 0 364.453 4.219 50 30 FIEARM COc1ccc(/C=C\C(=O)c2ccc(-c3ccc(C(=O)[O-])o3)cc2)cc1O ZINC000096891420 523433461 /nfs/dbraw/zinc/43/34/61/523433461.db2.gz BUHVMOACESUMGF-WAPJZHGLSA-N -1 0 364.353 4.255 50 30 FIEARM C=CCOc1ccc(Br)cc1CNc1cccc(C(=O)[O-])c1 ZINC000002862089 568378048 /nfs/dbraw/zinc/37/80/48/568378048.db2.gz XUIHGCHUIWWKBV-UHFFFAOYSA-N -1 0 362.223 4.324 50 30 FIEARM O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccc3ncccc3c2)c1 ZINC000004817180 570483697 /nfs/dbraw/zinc/48/36/97/570483697.db2.gz XLKMITSXHKQGJF-DJKKODMXSA-N -1 0 372.178 4.362 50 30 FIEARM Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1ccc(OCC#N)cc1)[C@@H]1CC=C[C@H]21 ZINC000004608564 571109186 /nfs/dbraw/zinc/10/91/86/571109186.db2.gz NIVDEQFZMCZBLY-UEXGIBASSA-N -1 0 360.413 4.422 50 30 FIEARM Cc1ccc2c(c1)C(=N[O-])C(=O)[N+]2Cc1ccc(OCCC(C)C)cc1 ZINC000343516869 571142137 /nfs/dbraw/zinc/14/21/37/571142137.db2.gz CXGQETJFWLLOFD-UHFFFAOYSA-N -1 0 352.434 4.110 50 30 FIEARM Cc1sc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c(C#N)c1-c1ccccc1 ZINC000006184257 571153380 /nfs/dbraw/zinc/15/33/80/571153380.db2.gz MWRWKYCNJYRWIB-CABCVRRESA-N -1 0 368.458 4.425 50 30 FIEARM [O-]c1c(Br)cc(Br)cc1C=NNc1ccccc1 ZINC000006240636 571271556 /nfs/dbraw/zinc/27/15/56/571271556.db2.gz FKBPFCZKQVICQL-LZYBPNLTSA-N -1 0 370.044 4.363 50 30 FIEARM COc1ccc(OC)c(C=Nn2c(=S)[n-]nc2-c2cccc(Cl)c2)c1 ZINC000006005390 571272704 /nfs/dbraw/zinc/27/27/04/571272704.db2.gz HMIWKSCAJFVHLA-VXLYETTFSA-N -1 0 374.853 4.160 50 30 FIEARM CN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=Nc1cccc(C(=O)[O-])c1 ZINC000252614761 571285935 /nfs/dbraw/zinc/28/59/35/571285935.db2.gz JMTPMAALMKCZGK-VPDARHJXSA-N -1 0 372.833 4.272 50 30 FIEARM Cc1c(C#N)c(=O)[n-]cc1C(=O)N(C)Cc1ccc(Oc2ccccc2)cc1 ZINC000072428389 571319189 /nfs/dbraw/zinc/31/91/89/571319189.db2.gz AHMPJLOUAUQJCT-UHFFFAOYSA-N -1 0 373.412 4.032 50 30 FIEARM C=CCn1c(SCC(=O)[O-])nnc1-c1sc2ccccc2c1Cl ZINC000000795726 210148264 /nfs/dbraw/zinc/14/82/64/210148264.db2.gz IZUNXKRCHCIMNH-UHFFFAOYSA-N -1 0 365.867 4.176 50 30 FIEARM Cc1cccc(/N=C/c2c3c(cc([N+](=O)[O-])c2[O-])oc2c3CCCC2)n1 ZINC000034097986 211614744 /nfs/dbraw/zinc/61/47/44/211614744.db2.gz OYQUDQWHTZKJLO-KEBDBYFISA-N -1 0 351.362 4.379 50 30 FIEARM CC(C)[C@@H]1CC[C@H](C)/C(=C/c2ccc(NC(=O)CCC(=O)[O-])cc2)C1=O ZINC000032603852 211552102 /nfs/dbraw/zinc/55/21/02/211552102.db2.gz PBMVZXBUWLFUMN-JIUVDOBVSA-N -1 0 357.450 4.145 50 30 FIEARM Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C(=O)[O-])c2ccccc2)n1 ZINC000022866719 211367404 /nfs/dbraw/zinc/36/74/04/211367404.db2.gz RPOJBRMBSZCPCZ-CYBMUJFWSA-N -1 0 352.337 4.199 50 30 FIEARM N#Cc1c([O-])c2c(-c3ccc(-c4ccccc4O)cc3)csc2[nH]c1=O ZINC000019862631 211259388 /nfs/dbraw/zinc/25/93/88/211259388.db2.gz CTESJDQKVOEUOY-UHFFFAOYSA-N -1 0 360.394 4.206 50 30 in-vitro FIEARM [O-]/N=C1/c2ccccc2-c2nnc(-c3cccc(OC(F)(F)F)c3)cc21 ZINC000013464926 211034412 /nfs/dbraw/zinc/03/44/12/211034412.db2.gz HCPBRYBGADOGMS-ULJHMMPZSA-N -1 0 357.291 4.249 50 30 FIEARM Cc1ccc(C(=O)[O-])c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1 ZINC000001017804 210302388 /nfs/dbraw/zinc/30/23/88/210302388.db2.gz JUMPOXQAJQLBHD-NSHDSACASA-N -1 0 354.431 4.004 50 30 FIEARM O=C1c2ccccc2C(=O)C1=Cc1cc(Br)cc(Cl)c1[O-] ZINC000000980640 210298017 /nfs/dbraw/zinc/29/80/17/210298017.db2.gz MFWIZFRZJFALHJ-UHFFFAOYSA-N -1 0 363.594 4.271 50 30 FIEARM Cc1c(N=Cc2sc3ccccc3c2[O-])c(=O)n(-c2ccccc2)n1C ZINC000000783189 210270726 /nfs/dbraw/zinc/27/07/26/210270726.db2.gz ZASAYZWVTFXHHU-CIAFOILYSA-N -1 0 363.442 4.155 50 30 FIEARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1sc2c(c1C#N)CCCC2 ZINC000100930979 222258328 /nfs/dbraw/zinc/25/83/28/222258328.db2.gz KCRBZIYJUUNZTH-ATVHPVEESA-N -1 0 362.458 4.217 50 30 FIEARM COc1ccc(-c2n[n-]c(=S)n2N=CC(C)=Cc2ccco2)cc1OC ZINC000005828318 523173932 /nfs/dbraw/zinc/17/39/32/523173932.db2.gz DHCOSLAQMVNZKN-ULFXKVSISA-N -1 0 370.434 4.155 50 30 FIEARM C[C@H](Oc1ccc(C(=O)/C=C\c2ccccc2C(F)(F)F)cc1)C(=O)[O-] ZINC000033466937 525929404 /nfs/dbraw/zinc/92/94/04/525929404.db2.gz FKXUXHFGMHGAJZ-KGTBHZDVSA-N -1 0 364.319 4.453 50 30 FIEARM O=C([O-])c1cc(/C=C2\Oc3c(cc(Cl)cc3Cl)C2=O)ccc1O ZINC000299738184 526342705 /nfs/dbraw/zinc/34/27/05/526342705.db2.gz HILIREMKOBXQBI-PQMHYQBVSA-N -1 0 351.141 4.013 50 30 FIEARM O=C([O-])COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 ZINC000006432725 527617681 /nfs/dbraw/zinc/61/76/81/527617681.db2.gz KLJHAGNMDKSOFU-XBXARRHUSA-N -1 0 351.185 4.353 50 30 FIEARM Cn1c2ccccc2nc1N=Cc1cc(Cl)cc(Br)c1[O-] ZINC000252622591 571288374 /nfs/dbraw/zinc/28/83/74/571288374.db2.gz NYOYSAGNJPVCLZ-UHFFFAOYSA-N -1 0 364.630 4.445 50 30 FIEARM CCCCCOc1ccc(CN2c3ccc(C)cc3C(=N[O-])C2=O)cc1 ZINC000253388800 571311881 /nfs/dbraw/zinc/31/18/81/571311881.db2.gz NFIRBGWLIUJTSO-UHFFFAOYSA-N -1 0 352.434 4.289 50 30 FIEARM Cc1sc(NC(=O)/C=C/C(=O)[O-])c(C#N)c1-c1ccc(C(C)C)cc1 ZINC000002789244 571340931 /nfs/dbraw/zinc/34/09/31/571340931.db2.gz CCTYKOMIXWSOIA-CMDGGOBGSA-N -1 0 354.431 4.298 50 30 FIEARM O=C([O-])C(=O)/C(=C\c1ccc(C(F)(F)F)cc1)c1ccc2ccccc2n1 ZINC000006258173 1086734900 /nfs/dbraw/zinc/73/49/00/1086734900.db2.gz PALNSQPEJNGFLE-PTNGSMBKSA-N -1 0 371.314 4.448 50 30 FIEARM O=C(Nc1ccccc1)c1ccccc1N=Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000252460394 1087357775 /nfs/dbraw/zinc/35/77/75/1087357775.db2.gz DZOYKSXPGHEGRD-UHFFFAOYSA-N -1 0 361.357 4.303 50 30 FIEARM C=CCn1c([C@H](CC(C)C)NC(=O)c2ccccc2Cl)n[nH]c1=S ZINC000005063601 210106299 /nfs/dbraw/zinc/10/62/99/210106299.db2.gz GESDDPBNKYTCBA-AWEZNQCLSA-N -1 0 364.902 4.297 50 30 FIEARM N#Cc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4)c32)cc1 ZINC000040287609 211740175 /nfs/dbraw/zinc/74/01/75/211740175.db2.gz MIORHTWWPIWGEE-MRXNPFEDSA-N -1 0 357.369 4.171 50 30 FIEARM CCc1ccc2c(c1)C(=N[N-]c1nc(-c3ccc(F)cc3)cs1)C(=O)N2 ZINC000013857161 211064370 /nfs/dbraw/zinc/06/43/70/211064370.db2.gz NKMQACUHYYVMJB-UHFFFAOYSA-N -1 0 366.421 4.280 50 30 FIEARM CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H](C(=O)[O-])C1 ZINC000005523279 210625131 /nfs/dbraw/zinc/62/51/31/210625131.db2.gz NKTRLUSSRPFGFM-LSDHHAIUSA-N -1 0 372.490 4.274 50 30 FIEARM O=C([O-])CCC(N=Nc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 ZINC000004090486 210508006 /nfs/dbraw/zinc/50/80/06/210508006.db2.gz RFFQJWDKJXBUPB-LPYMAVHISA-N -1 0 371.746 4.435 50 30 FIEARM CCN(CC)c1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc1 ZINC000002321043 210390209 /nfs/dbraw/zinc/39/02/09/210390209.db2.gz YZPDNWMCHOUBFR-XSFVSMFZSA-N -1 0 351.479 4.336 50 30 FIEARM Cc1ccc(NC(=O)C(=O)C=C([O-])c2ccc(Br)cc2)cc1 ZINC000100330912 222241665 /nfs/dbraw/zinc/24/16/65/222241665.db2.gz DGYHZZAPFSGQHX-YBEGLDIGSA-N -1 0 360.207 4.021 50 30 FIEARM Cc1cc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])ccc1NC(=O)c1ccco1 ZINC000102422486 222297113 /nfs/dbraw/zinc/29/71/13/222297113.db2.gz ATMQNGIEGSZLHZ-RGVLZGJSSA-N -1 0 365.345 4.205 50 30 FIEARM C=CCC[C@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000072481809 518719932 /nfs/dbraw/zinc/71/99/32/518719932.db2.gz MZIFEJDIBMKKTE-OAHLLOKOSA-N -1 0 365.429 4.335 50 30 FIEARM C=CCSc1nnc([N-]C(=O)c2cc(-c3ccc(C)c(C)c3)on2)s1 ZINC000027582479 519089252 /nfs/dbraw/zinc/08/92/52/519089252.db2.gz IHQGLXVGYWVLGC-UHFFFAOYSA-N -1 0 372.475 4.340 50 30 FIEARM CC(=NNC(=S)Nc1cccc(C(=O)[O-])c1)c1ccc2ccccc2c1 ZINC000245261365 519351097 /nfs/dbraw/zinc/35/10/97/519351097.db2.gz ZWMZAGJYJHCUBG-UHFFFAOYSA-N -1 0 363.442 4.249 50 30 FIEARM CCCCCOc1ccccc1CN1c2ccc(C)cc2/C(=N/[O-])C1=O ZINC000039853912 520260790 /nfs/dbraw/zinc/26/07/90/520260790.db2.gz WQYHSYVOGLWSBP-XDOYNYLZSA-N -1 0 352.434 4.289 50 30 FIEARM O=C([O-])CCC/C=C\C[C@H]1C(=O)C=C[C@@H]1/C=C/[C@@H](O)CCc1ccccc1 ZINC000027639121 527573231 /nfs/dbraw/zinc/57/32/31/527573231.db2.gz PBMAXTSZSCARIG-YPINUJMCSA-N -1 0 368.473 4.109 50 30 in-vitro FIEARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@H](c1cccc(Cl)c1)C(C#N)C#N ZINC000085901861 568302341 /nfs/dbraw/zinc/30/23/41/568302341.db2.gz JWGRSBYMWCYBHG-OALUTQOASA-N -1 0 362.820 4.126 50 30 FIEARM O=C1C(=O)N(c2nccs2)[C@@H](c2cccs2)C1=C([O-])c1cccs1 ZINC000002601158 570526030 /nfs/dbraw/zinc/52/60/30/570526030.db2.gz HKHXNMGLXSNQJA-LBPRGKRZSA-N -1 0 374.468 4.049 50 30 FIEARM CCOC(=O)c1ccc(NN=Cc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000004344503 570586080 /nfs/dbraw/zinc/58/60/80/570586080.db2.gz PAJODKKTPHQAHF-DJKKODMXSA-N -1 0 353.205 4.322 50 30 FIEARM CCN1C(=O)/C(=C\c2ccc(F)cc2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000004949945 570614513 /nfs/dbraw/zinc/61/45/13/570614513.db2.gz QCTHQSRFQADWJO-JSDDMWTDSA-N -1 0 370.405 4.148 50 30 FIEARM O=C([O-])C[C@@H]1SC(=NN=C2CCCCCCC2)N(c2ccccc2)C1=O ZINC000252628625 570624656 /nfs/dbraw/zinc/62/46/56/570624656.db2.gz SUNHNCOUVBVRPZ-INIZCTEOSA-N -1 0 373.478 4.066 50 30 FIEARM Cc1ccc(NC(=O)C([O-])=C(C#N)c2c(Cl)cccc2Cl)c(C)c1 ZINC000005681667 570633338 /nfs/dbraw/zinc/63/33/38/570633338.db2.gz XTBAOOGGELANLD-GFCCVEGCSA-N -1 0 361.228 4.425 50 30 FIEARM CCOc1ccccc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1[O-] ZINC000005953808 570639290 /nfs/dbraw/zinc/63/92/90/570639290.db2.gz QACBLVCCKXZTEI-RQZCQDPDSA-N -1 0 365.183 4.212 50 30 FIEARM Cc1ccc(C)c(N=Nc2c(=O)n(-c3ccccc3)[n-]c2C(F)(F)F)c1 ZINC000006167693 570642566 /nfs/dbraw/zinc/64/25/66/570642566.db2.gz QZNGQMKTHDVNNK-HAHDFKILSA-N -1 0 360.339 4.036 50 30 FIEARM FC(F)(F)c1n[n-]c(=S)n1N=Cc1cccc(Oc2ccccc2)c1 ZINC000005522924 570667022 /nfs/dbraw/zinc/66/70/22/570667022.db2.gz KOJRMKFPDPSVQK-KEBDBYFISA-N -1 0 364.352 4.260 50 30 FIEARM N#Cc1c(=O)[n-]c(Nc2ccc(Cl)cc2)c(C#N)c1Nc1ccccc1 ZINC000001233157 571069764 /nfs/dbraw/zinc/06/97/64/571069764.db2.gz RKZJUAAFAYLSDT-UHFFFAOYSA-N -1 0 361.792 4.259 50 30 FIEARM Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1ccc(OCC#N)cc1)[C@H]1CC=C[C@@H]21 ZINC000004608565 571109016 /nfs/dbraw/zinc/10/90/16/571109016.db2.gz NIVDEQFZMCZBLY-LQWHRVPQSA-N -1 0 360.413 4.422 50 30 FIEARM N#CC(=C([O-])c1cc(Cl)c2c(c1)OCCCO2)c1nc2ccccc2o1 ZINC000041543924 571112802 /nfs/dbraw/zinc/11/28/02/571112802.db2.gz WSDBQSXECOHTNE-LBPRGKRZSA-N -1 0 368.776 4.133 50 30 FIEARM CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H](C(=O)[O-])C1 ZINC000002793059 571341053 /nfs/dbraw/zinc/34/10/53/571341053.db2.gz NKTRLUSSRPFGFM-HUUCEWRRSA-N -1 0 372.490 4.274 50 30 FIEARM C=C(Cl)COc1ccc(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000097210947 1082974265 /nfs/dbraw/zinc/97/42/65/1082974265.db2.gz PONXONOBSUGMMQ-WAPJZHGLSA-N -1 0 359.765 4.328 50 30 FIEARM COc1ccc(/C=C\C(=O)c2cc(Br)ccc2[O-])cc1OC ZINC000033447997 1122516190 /nfs/dbraw/zinc/51/61/90/1122516190.db2.gz XMPJKJCKDAWUCH-UTCJRWHESA-N -1 0 363.207 4.068 50 30 FIEARM C=CCn1c(-c2ccccc2)cs/c1=N\c1ccc(O)c(C(=O)[O-])c1 ZINC000005123996 210105745 /nfs/dbraw/zinc/10/57/45/210105745.db2.gz YGHUXWNCOHTVCV-VXPUYCOJSA-N -1 0 352.415 4.039 50 30 FIEARM C=C(C)Cn1c(SCC(=O)[O-])nnc1-c1cc(Cl)cc(Cl)c1 ZINC000005495196 210105317 /nfs/dbraw/zinc/10/53/17/210105317.db2.gz MOBAUSVTOOVICX-UHFFFAOYSA-N -1 0 358.250 4.005 50 30 FIEARM C=CC(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000096836826 210097349 /nfs/dbraw/zinc/09/73/49/210097349.db2.gz KSFBTMRFQUMTJS-LJQANCHMSA-N -1 0 365.429 4.191 50 30 FIEARM CC(C)c1ccc2c(c1)C(=N[N-]c1c(F)c(F)nc(F)c1F)C(=O)N2 ZINC000008403638 219861924 /nfs/dbraw/zinc/86/19/24/219861924.db2.gz IQSGCSOKTNFUQY-UHFFFAOYSA-N -1 0 352.291 4.179 50 30 FIEARM NC(=O)c1c(/N=C/c2cc(Cl)cc(Cl)c2[O-])sc2c1CCCC2 ZINC000018106419 211192847 /nfs/dbraw/zinc/19/28/47/211192847.db2.gz HCGGKKKPEDTXAG-IFRROFPPSA-N -1 0 369.273 4.489 50 30 FIEARM COc1ccc(C(=O)/C=C/c2cccc(C)c2)cc1CSCC(=O)[O-] ZINC000012912710 211007562 /nfs/dbraw/zinc/00/75/62/211007562.db2.gz HNMQAXJKQBWRPK-SOFGYWHQSA-N -1 0 356.443 4.218 50 30 FIEARM Cc1cccc(C)c1NC(=O)C([O-])=C(C#N)c1c(Cl)cccc1Cl ZINC000001613748 210362718 /nfs/dbraw/zinc/36/27/18/210362718.db2.gz CSFWEHJLMRTVCG-GFCCVEGCSA-N -1 0 361.228 4.425 50 30 FIEARM COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(SC)cc2)cc1 ZINC000001241068 210338743 /nfs/dbraw/zinc/33/87/43/210338743.db2.gz SDCOMVXXKDHLTO-WOJGMQOQSA-N -1 0 356.476 4.220 50 30 FIEARM Cc1ccc(/C=N/c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)s1 ZINC000100005157 222232050 /nfs/dbraw/zinc/23/20/50/222232050.db2.gz SERWLGIKTDOCIW-LICLKQGHSA-N -1 0 363.489 4.064 50 30 FIEARM C/C(=N\N1C(=O)c2ccccc2N[C@H]1c1ccccc1)c1ccccc1O ZINC000101358562 222271387 /nfs/dbraw/zinc/27/13/87/222271387.db2.gz TXEVLGXTEJXXDR-MNQDVBFDSA-N -1 0 357.413 4.383 50 30 FIEARM CCCCCCCCCCNC(=O)c1c([O-])c2ccccc2n(C)c1=O ZINC000002267808 520019255 /nfs/dbraw/zinc/01/92/55/520019255.db2.gz XEZWPKAEJOTKHC-UHFFFAOYSA-N -1 0 358.482 4.115 50 30 FIEARM CCCOc1ccc(C=Nn2c(=S)[n-]nc2-c2cccc(OC)c2)cc1 ZINC000006779048 520323234 /nfs/dbraw/zinc/32/32/34/520323234.db2.gz SPCIPTULBQGYFE-DEDYPNTBSA-N -1 0 368.462 4.287 50 30 FIEARM COc1ccc(C=Nn2c(=S)[n-]nc2-c2cccc(OC(C)C)c2)cc1 ZINC000005859401 523454703 /nfs/dbraw/zinc/45/47/03/523454703.db2.gz YVTCZWICTGEAQU-UDWIEESQSA-N -1 0 368.462 4.286 50 30 FIEARM O=C([O-])[C@H](CCCCNC(=O)c1ccccc1)NC(=O)C1CCCCC1 ZINC000082056147 526300809 /nfs/dbraw/zinc/30/08/09/526300809.db2.gz KDSGHTVZNSRDPL-KRWDZBQOSA-N -1 0 360.454 4.152 50 30 FIEARM COc1ccc(C(=O)/C=C/c2ccccc2OC(C)C)cc1CC(=O)[O-] ZINC000032890846 568411765 /nfs/dbraw/zinc/41/17/65/568411765.db2.gz JDKYIERNDYLWAT-CSKARUKUSA-N -1 0 354.402 4.006 50 30 FIEARM CCCc1nc2ccccc2c(=O)n1N=Cc1sc2ccccc2c1[O-] ZINC000004872073 570553463 /nfs/dbraw/zinc/55/34/63/570553463.db2.gz SKDKMUOZAVSNBS-CIAFOILYSA-N -1 0 363.442 4.152 50 30 FIEARM COc1cc(/C=C/C(=O)c2ccc3ccccc3c2[O-])cc(OC)c1OC ZINC000003916262 570572231 /nfs/dbraw/zinc/57/22/31/570572231.db2.gz RWLQOFFOVBKUNG-DHZHZOJOSA-N -1 0 364.397 4.467 50 30 FIEARM CCCOc1ccccc1C=NNc1nnc2c3cc(C)ccc3nc-2[n-]1 ZINC000006593530 570650121 /nfs/dbraw/zinc/65/01/21/570650121.db2.gz BSZLAAXPNVCRBU-CIAFOILYSA-N -1 0 360.421 4.049 50 30 FIEARM [O-]c1c(Cl)cc(Cl)cc1/C=N/c1ccc(N2CCOCC2)cc1 ZINC000013125944 570774175 /nfs/dbraw/zinc/77/41/75/570774175.db2.gz ZZXWCDGOWPXDAS-RGVLZGJSSA-N -1 0 351.233 4.286 50 30 FIEARM Cc1sc(N=NCc2cc([N+](=O)[O-])ccc2[O-])nc1-c1ccccc1 ZINC000035898255 571079071 /nfs/dbraw/zinc/07/90/71/571079071.db2.gz RSWAAYGPQYNSHK-VCHYOVAHSA-N -1 0 354.391 4.178 50 30 FIEARM CCOc1cc([N+](=O)[O-])cc(/C=N/c2sc3c(c2C#N)CCCC3)c1[O-] ZINC000035406342 571168540 /nfs/dbraw/zinc/16/85/40/571168540.db2.gz YEEIQJQGABEVHH-KEBDBYFISA-N -1 0 371.418 4.262 50 30 FIEARM C=CCN1C(=O)S/C(=C\c2ccc(-c3cc(C(=O)[O-])ccc3C)o2)C1=O ZINC000033286829 571230067 /nfs/dbraw/zinc/23/00/67/571230067.db2.gz XPXJZUFMARJBBV-YBEGLDIGSA-N -1 0 369.398 4.176 50 30 FIEARM Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccccc1O ZINC000252623687 571288509 /nfs/dbraw/zinc/28/85/09/571288509.db2.gz OXFPWPJDXWPGEH-UHFFFAOYSA-N -1 0 361.426 4.021 50 30 FIEARM Cc1ccccc1C(=O)NC(=S)Nc1sc2c(c1C#N)CCCCC2 ZINC000002775591 571340901 /nfs/dbraw/zinc/34/09/01/571340901.db2.gz KTONBBOIFGMBBR-UHFFFAOYSA-N -1 0 369.515 4.324 50 30 FIEARM Cn1c2ccccc2c2c1-c1cc(C#N)c(=O)[n-]c1C[C@H]2c1ccccc1 ZINC000022341748 1082258104 /nfs/dbraw/zinc/25/81/04/1082258104.db2.gz JEOFSEFKOSPTOZ-KRWDZBQOSA-N -1 0 351.409 4.093 50 30 FIEARM C=C(C)CSc1nc2ccccc2n1C(=O)c1ccccc1C(=O)[O-] ZINC000000794530 210148012 /nfs/dbraw/zinc/14/80/12/210148012.db2.gz MJQUYOKBSYBNCI-UHFFFAOYSA-N -1 0 352.415 4.091 50 30 FIEARM COc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000222212414 222730505 /nfs/dbraw/zinc/73/05/05/222730505.db2.gz RXYDMMMPODCHFU-WTKPLQERSA-N -1 0 361.191 4.052 50 30 FIEARM C=C(C)CSc1n[n-]c2nc3c(c(=O)n21)[C@](C)(CC)Cc1ccccc1-3 ZINC000005675668 210105682 /nfs/dbraw/zinc/10/56/82/210105682.db2.gz BVFJCNDDMIBGDU-HXUWFJFHSA-N -1 0 366.490 4.389 50 30 FIEARM CCN1C(=O)/C(=C\c2ccccc2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000004682164 210552515 /nfs/dbraw/zinc/55/25/15/210552515.db2.gz BRXYFLCMENZGEC-DSJJYHEDSA-N -1 0 352.415 4.009 50 30 FIEARM COC(=O)N=C([N-]C(=O)OC)Nc1ccccc1N=Nc1ccccc1 ZINC000004064318 210505821 /nfs/dbraw/zinc/50/58/21/210505821.db2.gz XUSBCUOLAZZDRA-QURGRASLSA-N -1 0 355.354 4.197 50 30 FIEARM Cc1cc(/C=N/c2cccc(C(=O)[O-])c2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000002268508 210388967 /nfs/dbraw/zinc/38/89/67/210388967.db2.gz FJJVJTFKNGFKQR-CIAFOILYSA-N -1 0 363.373 4.451 50 30 FIEARM N#CC(=C([O-])c1cccc2n[nH]cc21)c1nc2cc(Cl)ccc2s1 ZINC000071810552 221378844 /nfs/dbraw/zinc/37/88/44/221378844.db2.gz KZWDULUXZICKHP-NSHDSACASA-N -1 0 352.806 4.316 50 30 FIEARM CCCCCCCCCCCCCCN(CCO)C(=O)/C=C\C(=O)[O-] ZINC000100167200 222238572 /nfs/dbraw/zinc/23/85/72/222238572.db2.gz PJIQZYSNAKEAAJ-PFONDFGASA-N -1 0 355.519 4.149 50 30 FIEARM O=C1/C(=N\[O-])c2cc(Cl)ccc2N1Cc1ccc(Cl)c(Cl)c1 ZINC000100324170 222241603 /nfs/dbraw/zinc/24/16/03/222241603.db2.gz YXUGDGFGZIMQTJ-RGEXLXHISA-N -1 0 355.608 4.372 50 30 FIEARM C=CCN1C(=O)C(=O)C(=C([O-])c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000101231682 222264451 /nfs/dbraw/zinc/26/44/51/222264451.db2.gz KWLLTUFNXXDMDR-SELCWUDQSA-N -1 0 367.832 4.256 50 30 FIEARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@H](c1ccc(Cl)cc1)C(C#N)C#N ZINC000101512485 222277624 /nfs/dbraw/zinc/27/76/24/222277624.db2.gz WJSYTJVVSMPQNC-OALUTQOASA-N -1 0 362.820 4.126 50 30 FIEARM COc1cc(C(=O)/C=C/c2ccc(C(C)C)cc2)ccc1OCC(=O)[O-] ZINC000008322847 522049077 /nfs/dbraw/zinc/04/90/77/522049077.db2.gz JHGLPYMVDMUZAD-UXBLZVDNSA-N -1 0 354.402 4.178 50 30 FIEARM N#CC(=C([O-])c1cc(-c2ccccc2Cl)on1)c1nc2ccccc2[nH]1 ZINC000048813206 526506897 /nfs/dbraw/zinc/50/68/97/526506897.db2.gz RCLWMYLGMZARSG-GFCCVEGCSA-N -1 0 362.776 4.361 50 30 FIEARM O=C1c2c(c(Cl)ccc2Cl)O/C1=C\c1cc([O-])ccc1[N+](=O)[O-] ZINC000299738261 527119145 /nfs/dbraw/zinc/11/91/45/527119145.db2.gz OSQHPTOGQIKNRB-SDQBBNPISA-N -1 0 352.129 4.223 50 30 FIEARM CN(C)c1ccc(C(N=Nc2ccc(C(=O)[O-])cc2)c2ccccc2)cc1 ZINC000004975444 570615330 /nfs/dbraw/zinc/61/53/30/570615330.db2.gz KSFIFBJOLMMQAI-DARPEHSRSA-N -1 0 359.429 4.315 50 30 FIEARM O=C(NC1CCCCC1)c1ccsc1/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000006413911 571184239 /nfs/dbraw/zinc/18/42/39/571184239.db2.gz MPBSTBYTMAZEES-YBFXNURJSA-N -1 0 373.434 4.175 50 30 FIEARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccccc1 ZINC000252462323 571279092 /nfs/dbraw/zinc/27/90/92/571279092.db2.gz RNFONTXZJTVXKM-UHFFFAOYSA-N -1 0 361.430 4.001 50 30 FIEARM CN1C(=O)/C(=C/c2ccccc2)SC1=Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000252636948 571291466 /nfs/dbraw/zinc/29/14/66/571291466.db2.gz XODVTPHXNRREAL-YMMLTTEXSA-N -1 0 372.833 4.272 50 30 FIEARM O=C([O-])C(=O)/C(=C\c1cccc(C(F)(F)F)c1)c1ccc2ccccc2n1 ZINC000006258174 1086734642 /nfs/dbraw/zinc/73/46/42/1086734642.db2.gz IFDYGTCEKJFLIB-PTNGSMBKSA-N -1 0 371.314 4.448 50 30 FIEARM Cc1ccnc(/N=C/c2c3c(cc([N+](=O)[O-])c2[O-])oc2c3CCCC2)c1 ZINC000020828249 211296459 /nfs/dbraw/zinc/29/64/59/211296459.db2.gz YRBPWQJSWCKLDV-UFFVCSGVSA-N -1 0 351.362 4.379 50 30 FIEARM CC(=O)Nc1cc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])c(Cl)cc1Cl ZINC000001227828 210337976 /nfs/dbraw/zinc/33/79/76/210337976.db2.gz NNNPSKILMFENTC-CNHKJKLMSA-N -1 0 368.176 4.316 50 30 FIEARM Cc1cc(C)c(C/C(=N/OCC(=O)[O-])c2cc3ccccc3o2)c(C)c1 ZINC000068603852 221316573 /nfs/dbraw/zinc/31/65/73/221316573.db2.gz OFPHQYMDGAGVOH-PYCFMQQDSA-N -1 0 351.402 4.406 50 30 FIEARM CC(=NCc1ccco1)c1c(C)[n-]n(-c2nc3ccccc3s2)c1=O ZINC000101155724 222263020 /nfs/dbraw/zinc/26/30/20/222263020.db2.gz KVZKQRJHGIFKAM-ODLFYWEKSA-N -1 0 352.419 4.098 50 30 FIEARM C=CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000085221259 518702679 /nfs/dbraw/zinc/70/26/79/518702679.db2.gz LRSIYGFZZWFAAI-FQEVSTJZSA-N -1 0 365.429 4.335 50 30 FIEARM CCC[C@@H]1CCc2c(C#N)c(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])sc2C1 ZINC000239025468 520828725 /nfs/dbraw/zinc/82/87/25/520828725.db2.gz BRINQOKNWFCARM-BPLDGKMQSA-N -1 0 374.506 4.354 50 30 FIEARM O=[N+]([O-])c1cc(C=Nn2c(=S)[n-]nc2C2CCCCC2)ccc1Cl ZINC000006057518 570640531 /nfs/dbraw/zinc/64/05/31/570640531.db2.gz WQIZGUINPGGJCO-RQZCQDPDSA-N -1 0 365.846 4.432 50 30 FIEARM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1sc2c(c1C#N)CCC2 ZINC000101122140 570817274 /nfs/dbraw/zinc/81/72/74/570817274.db2.gz HYEDPLRHNJTRBA-GZTJUZNOSA-N -1 0 362.458 4.135 50 30 FIEARM Cc1ccc(S(=O)(=O)[N-]C(=O)C2(c3ccc(F)cc3)CCC2)c(C)c1 ZINC000048476064 570955685 /nfs/dbraw/zinc/95/56/85/570955685.db2.gz IWUVFJRHTBCTQO-UHFFFAOYSA-N -1 0 361.438 4.210 50 30 FIEARM O=[N+]([O-])c1cc(C=NNc2cccc3cccnc32)c([O-])c2ccccc21 ZINC000034098632 571067430 /nfs/dbraw/zinc/06/74/30/571067430.db2.gz AGDCNMGCTNURFA-WSDLNYQXSA-N -1 0 358.357 4.448 50 30 FIEARM Cc1ccc(S(=O)(=O)[N-]C(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000000849570 571093123 /nfs/dbraw/zinc/09/31/23/571093123.db2.gz DFJMKIRLUTYLMN-UHFFFAOYSA-N -1 0 374.245 4.026 50 30 FIEARM N#CC(=C([O-])c1cc(Cl)c2c(c1)OCCCO2)c1nc2ccccc2o1 ZINC000041543927 571112713 /nfs/dbraw/zinc/11/27/13/571112713.db2.gz WSDBQSXECOHTNE-GFCCVEGCSA-N -1 0 368.776 4.133 50 30 FIEARM COC(=O)c1c(/N=C/c2cccc([N+](=O)[O-])c2[O-])sc2c1CC[C@H](C)C2 ZINC000004739518 571229725 /nfs/dbraw/zinc/22/97/25/571229725.db2.gz CCCUAQXVNIYDFE-XPAGJJBOSA-N -1 0 374.418 4.024 50 30 FIEARM O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc3c(c2)ncn3-c2ccccc2)c1 ZINC000004750828 571231232 /nfs/dbraw/zinc/23/12/32/571231232.db2.gz IYDSPJVNRUMGRX-CIAFOILYSA-N -1 0 358.357 4.390 50 30 FIEARM Cc1ccc(S(=O)([O-])=NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000001234459 219391945 /nfs/dbraw/zinc/39/19/45/219391945.db2.gz XYVLGEPGWBGRGS-UHFFFAOYSA-N -1 0 359.234 4.017 50 30 FIEARM N#Cc1c(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)sc2c1CCCCC2 ZINC000013255699 220062646 /nfs/dbraw/zinc/06/26/46/220062646.db2.gz YDLVXHSRVLWGQZ-HNNXBMFYSA-N -1 0 368.458 4.086 50 30 FIEARM COc1ccc(-c2c(C)sc(NC(=O)C[C@H](C)CC(=O)[O-])c2C#N)cc1 ZINC000017076276 220205076 /nfs/dbraw/zinc/20/50/76/220205076.db2.gz BAYROJBPDKUBPZ-NSHDSACASA-N -1 0 372.446 4.043 50 30 FIEARM N#Cc1cccc(S(=O)(=O)[N-]c2ccccc2SCC(F)(F)F)c1 ZINC000022475025 220386743 /nfs/dbraw/zinc/38/67/43/220386743.db2.gz OUCMYYPXUAPUHI-UHFFFAOYSA-N -1 0 372.393 4.013 50 30 FIEARM CCCNc1c2ccccc2oc(=O)c1/N=C(\[O-])Nc1cccc(OC)c1 ZINC000028048845 220560140 /nfs/dbraw/zinc/56/01/40/220560140.db2.gz CLCBXTVOSPFQKZ-UHFFFAOYSA-N -1 0 367.405 4.281 50 30 FIEARM O=C(c1ccccc1)c1cccc(N=Cc2c(=O)oc3ccccc3c2[O-])c1 ZINC000100915026 222257021 /nfs/dbraw/zinc/25/70/21/222257021.db2.gz UDTPLYBEEHJMTG-RGEXLXHISA-N -1 0 369.376 4.015 50 30 FIEARM C=CCN1C(=O)C(=O)C(=C([O-])c2ccccc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000101231774 222265715 /nfs/dbraw/zinc/26/57/15/222265715.db2.gz CEIVPTXSKWMZCV-NHFXJNLRSA-N -1 0 361.441 4.418 50 30 FIEARM CC1(C)CC(=O)C(=C([O-])C=CNc2cc(Cl)ccc2Cl)C(=O)C1 ZINC000100098423 520252075 /nfs/dbraw/zinc/25/20/75/520252075.db2.gz BPYPJNFCKILAAX-WAYWQWQTSA-N -1 0 354.233 4.063 50 30 FIEARM Cc1ccc(S(=O)(=O)[N-]C(=O)COc2cc(C)ccc2C(C)C)cc1 ZINC000002709227 525482983 /nfs/dbraw/zinc/48/29/83/525482983.db2.gz BHSGGPOUYUCNJV-UHFFFAOYSA-N -1 0 361.463 4.151 50 30 FIEARM O=C([O-])c1cc(/C=C2\Oc3c(c(Cl)ccc3Cl)C2=O)ccc1O ZINC000299738269 526342772 /nfs/dbraw/zinc/34/27/72/526342772.db2.gz PKOVZIIRQCMSQE-SDQBBNPISA-N -1 0 351.141 4.013 50 30 FIEARM C[C@@H](NC(=S)N/N=C/c1cc(Cl)cc(Cl)c1[O-])c1ccccc1 ZINC000001041767 570475338 /nfs/dbraw/zinc/47/53/38/570475338.db2.gz PVWQTWSDPZBROQ-XTTRTJGBSA-N -1 0 368.289 4.258 50 30 FIEARM N#CC(=C([O-])C(=O)Nc1ccc(Cl)cc1)c1c(Cl)cccc1Cl ZINC000001613721 570502847 /nfs/dbraw/zinc/50/28/47/570502847.db2.gz IOAXRPAAZOTZJD-NSHDSACASA-N -1 0 367.619 4.462 50 30 FIEARM CC(C)(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2ccccc2O)cc1 ZINC000002351125 570519629 /nfs/dbraw/zinc/51/96/29/570519629.db2.gz WTRXHZVUNGAFEX-UDWIEESQSA-N -1 0 352.463 4.493 50 30 FIEARM CC[C@@H](C)c1ccc(O)c(/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])c1 ZINC000003044496 570550301 /nfs/dbraw/zinc/55/03/01/570550301.db2.gz OJTCACJXAPKWJW-SVXRXWARSA-N -1 0 359.338 4.178 50 30 FIEARM C=CCN(C(=O)Cc1c2cc(Cl)ccc2[nH]c1C(=O)[O-])c1ccccc1 ZINC000004920563 570561118 /nfs/dbraw/zinc/56/11/18/570561118.db2.gz YAQOBABWTJDDHU-UHFFFAOYSA-N -1 0 368.820 4.281 50 30 FIEARM Cc1ccccc1N=Nc1c(=O)n(-c2ccccc2)[n-]c1-c1ccccc1 ZINC000004600416 570597558 /nfs/dbraw/zinc/59/75/58/570597558.db2.gz KRDCBUYIKGGSLK-DARPEHSRSA-N -1 0 354.413 4.214 50 30 FIEARM N#CC(=C([O-])C(=O)Nc1ccccc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000005717146 570633786 /nfs/dbraw/zinc/63/37/86/570633786.db2.gz RWQPIIGFNYJNOP-GFCCVEGCSA-N -1 0 366.726 4.174 50 30 FIEARM O=C(C1=C(O)C(=O)N(c2ccc(O)cc2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000005491445 570663449 /nfs/dbraw/zinc/66/34/49/570663449.db2.gz BYXCYOZKXQXYEV-HXUWFJFHSA-N -1 0 371.392 4.175 50 30 FIEARM C[C@@H](C#N)Sc1[n-]c(=O)c(-c2nc(-c3ccccc3)cs2)cc1C#N ZINC000008942130 571078508 /nfs/dbraw/zinc/07/85/08/571078508.db2.gz KSWHZASIMBUITG-NSHDSACASA-N -1 0 364.455 4.041 50 30 FIEARM COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(Br)c(C)c2)c1[O-] ZINC000003091509 571106832 /nfs/dbraw/zinc/10/68/32/571106832.db2.gz FGRWTZYAANPMCN-CAOOACKPSA-N -1 0 365.183 4.131 50 30 FIEARM Oc1ccc2ccccc2c1C=Nn1c(=S)[n-]nc1-c1ccccc1F ZINC000002522425 571277650 /nfs/dbraw/zinc/27/76/50/571277650.db2.gz OCKATSXEOUDLCA-SRZZPIQSSA-N -1 0 364.405 4.488 50 30 FIEARM O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc(-c3nc4ncccc4o3)cc2)c1 ZINC000002490145 571337319 /nfs/dbraw/zinc/33/73/19/571337319.db2.gz YIUBJYNXUGNASZ-SRZZPIQSSA-N -1 0 360.329 4.254 50 30 FIEARM Cc1cc(=O)[n-]c(SCC(=O)c2ccc(-c3ccccc3)cc2)c1C#N ZINC000000634297 219307248 /nfs/dbraw/zinc/30/72/48/219307248.db2.gz LLSLLNHEIFIXOC-UHFFFAOYSA-N -1 0 360.438 4.197 50 30 FIEARM N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)cc1 ZINC000000849544 219330774 /nfs/dbraw/zinc/33/07/74/219330774.db2.gz HJDDLSDLTRCPNO-UHFFFAOYSA-N -1 0 358.353 4.301 50 30 FIEARM Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000006897434 219781205 /nfs/dbraw/zinc/78/12/05/219781205.db2.gz GSVFZJTXYPPKKE-UHFFFAOYSA-N -1 0 371.392 4.255 50 30 FIEARM O=C([O-])C(=O)/C(=C/c1ccc(C(F)(F)F)cc1)c1ccc2ccccc2n1 ZINC000012609594 220013590 /nfs/dbraw/zinc/01/35/90/220013590.db2.gz PALNSQPEJNGFLE-RVDMUPIBSA-N -1 0 371.314 4.448 50 30 FIEARM CC1=Nc2ccccc2[N-]C(=NC(=O)CN2CCCCC2)[C@@H]1c1ccccc1 ZINC000050043875 221029862 /nfs/dbraw/zinc/02/98/62/221029862.db2.gz IYGZTCMEQLLOMR-QFIPXVFZSA-N -1 0 374.488 4.399 50 30 FIEARM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1csc(-c3ccccn3)n1)CC2 ZINC000058184070 221104624 /nfs/dbraw/zinc/10/46/24/221104624.db2.gz LIGHWWXCWNBLFR-FLIBITNWSA-N -1 0 366.398 4.017 50 30 FIEARM Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2cccc(C#N)c2)on1 ZINC000064845535 221153349 /nfs/dbraw/zinc/15/33/49/221153349.db2.gz KUTBXQBIWAOUQG-UHFFFAOYSA-N -1 0 373.459 4.001 50 30 FIEARM COc1cc(/C=C2/Oc3cc(O)ccc3C2=O)cc(Cl)c1OC(F)F ZINC000096930464 222142209 /nfs/dbraw/zinc/14/22/09/222142209.db2.gz UHDVOONHOOQQRI-WLRTZDKTSA-N -1 0 368.719 4.272 50 30 FIEARM CC1(C)CCC(S(=O)(=O)[N-]C(=O)CCc2c[nH]c3ccccc23)CC1 ZINC000089919234 520304191 /nfs/dbraw/zinc/30/41/91/520304191.db2.gz AMQDSPVYYVNFCS-UHFFFAOYSA-N -1 0 362.495 4.356 50 30 FIEARM CCc1cccc2c(C([O-])=C(C#N)C(=O)CSC3CCCC3)c[nH]c21 ZINC000103780568 521788424 /nfs/dbraw/zinc/78/84/24/521788424.db2.gz GBLACJCVNDPWSI-INIZCTEOSA-N -1 0 354.475 4.298 50 30 FIEARM O=C1c2cc(Br)ccc2O/C1=C\c1ccc([O-])c(Cl)c1 ZINC000299738256 527121621 /nfs/dbraw/zinc/12/16/21/527121621.db2.gz ODEDIBYBPOCSGB-NSIKDUERSA-N -1 0 351.583 4.424 50 30 FIEARM Cc1ccc2nc3[n-]c(NN=Cc4c(O)ccc5ccccc54)nnc-3c2c1 ZINC000004596721 570597265 /nfs/dbraw/zinc/59/72/65/570597265.db2.gz MRAHIBKKTBLALT-SSDVNMTOSA-N -1 0 368.400 4.119 50 30 FIEARM Cc1ccc(C)c(N=Nc2c(=O)n(-c3ccccc3)[n-]c2C(F)(F)F)c1 ZINC000252626270 570624513 /nfs/dbraw/zinc/62/45/13/570624513.db2.gz QZNGQMKTHDVNNK-UHFFFAOYSA-N -1 0 360.339 4.036 50 30 FIEARM Cc1sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c(C#N)c1-c1ccccc1 ZINC000005175472 570629034 /nfs/dbraw/zinc/62/90/34/570629034.db2.gz JEISVYDKXAUSCZ-GJZGRUSLSA-N -1 0 366.442 4.201 50 30 FIEARM N#Cc1c(=O)[n-]c(SCc2c(F)cccc2Cl)nc1-c1ccccc1 ZINC000005238213 570638569 /nfs/dbraw/zinc/63/85/69/570638569.db2.gz QBUMTBXYPJJKKS-UHFFFAOYSA-N -1 0 371.824 4.393 50 30 FIEARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@H](c1ccc(Cl)cc1)C(C#N)C#N ZINC000005482651 570662585 /nfs/dbraw/zinc/66/25/85/570662585.db2.gz WJSYTJVVSMPQNC-MOPGFXCFSA-N -1 0 362.820 4.126 50 30 FIEARM C=CCn1c([C@@H](CC(C)C)NC(=O)c2ccccc2Cl)n[nH]c1=S ZINC000005063604 571102743 /nfs/dbraw/zinc/10/27/43/571102743.db2.gz GESDDPBNKYTCBA-CQSZACIVSA-N -1 0 364.902 4.297 50 30 FIEARM O=S(=O)([N-]c1ccccn1)c1ccc(/N=C/c2cccc(Cl)c2)cc1 ZINC000006057160 571115488 /nfs/dbraw/zinc/11/54/88/571115488.db2.gz WGULVCUTPHRQNR-FYJGNVAPSA-N -1 0 371.849 4.286 50 30 FIEARM CCC[C@@H]1CCc2c(C#N)c(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])sc2C1 ZINC000005952183 571169330 /nfs/dbraw/zinc/16/93/30/571169330.db2.gz BUXWHIOIEROXSL-YUELXQCFSA-N -1 0 372.490 4.130 50 30 FIEARM C=CCn1c(-c2ccccc2)csc1=Nc1ccc(O)c(C(=O)[O-])c1 ZINC000254742404 1080949110 /nfs/dbraw/zinc/94/91/10/1080949110.db2.gz YGHUXWNCOHTVCV-UHFFFAOYSA-N -1 0 352.415 4.039 50 30 FIEARM COc1ccc(/C=C/C(=O)c2cnc3sc(C(=O)[O-])c(C)c3c2)cc1 ZINC000032933460 1121561401 /nfs/dbraw/zinc/56/14/01/1121561401.db2.gz KMAPDXFPYWORLP-VMPITWQZSA-N -1 0 353.399 4.208 50 30 FIEARM S=c1[n-]nc(-c2ccccc2)n1N=Cc1ccc(Br)cc1 ZINC000001245146 219392494 /nfs/dbraw/zinc/39/24/94/219392494.db2.gz IJWLJDZJESIQMV-LICLKQGHSA-N -1 0 359.252 4.252 50 30 FIEARM COc1ccc2ccccc2c1C=Nn1c(=S)[n-]nc1-c1ccco1 ZINC000001478517 219409259 /nfs/dbraw/zinc/40/92/59/219409259.db2.gz FSOWESJRUMDVEP-YBFXNURJSA-N -1 0 350.403 4.245 50 30 FIEARM O=C(/C=C/c1ccc2c(c1)OCCO2)c1cc(Cl)cc(Cl)c1[O-] ZINC000004771370 219606159 /nfs/dbraw/zinc/60/61/59/219606159.db2.gz GLNBFKYBWUXCLZ-HNQUOIGGSA-N -1 0 351.185 4.366 50 30 FIEARM CCOC(=O)C/C([O-])=N/c1c(=O)oc2ccccc2c1NC1CCCCC1 ZINC000021155914 220352960 /nfs/dbraw/zinc/35/29/60/220352960.db2.gz JFNBEYDGDUSISY-UHFFFAOYSA-N -1 0 372.421 4.079 50 30 FIEARM CCc1c(S[C@H](C(=O)[O-])c2ccccc2)nc(C#N)c2c1CCCC2 ZINC000071328738 221342609 /nfs/dbraw/zinc/34/26/09/221342609.db2.gz FNWNPSVHUSCSNM-SFHVURJKSA-N -1 0 352.459 4.312 50 30 FIEARM C=C(C)[C@](C)(CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000072481823 221556437 /nfs/dbraw/zinc/55/64/37/221556437.db2.gz FWENTROLZFINEH-QFIPXVFZSA-N -1 0 365.429 4.335 50 30 FIEARM C=CC(C)(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000096836825 222132182 /nfs/dbraw/zinc/13/21/82/222132182.db2.gz KSFBTMRFQUMTJS-IBGZPJMESA-N -1 0 365.429 4.191 50 30 FIEARM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1sc(C)c(C)c1C#N ZINC000100903193 222256471 /nfs/dbraw/zinc/25/64/71/222256471.db2.gz PCPXKZRNFCXYCL-YVLHZVERSA-N -1 0 350.447 4.264 50 30 FIEARM CCCCOc1ccccc1N=C(CC(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000003623633 263330653 /nfs/dbraw/zinc/33/06/53/263330653.db2.gz MOMAVBDWZFQOLR-NBVRZTHBSA-N -1 0 353.418 4.437 50 30 FIEARM CCCCCCCCCCCNC(=O)Cc1c([O-])c2ccccc2[nH]c1=O ZINC000008424568 520015699 /nfs/dbraw/zinc/01/56/99/520015699.db2.gz SOWQHJAJLZKQSE-UHFFFAOYSA-N -1 0 372.509 4.423 50 30 FIEARM CCCOc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2F)cc1 ZINC000005738395 520324095 /nfs/dbraw/zinc/32/40/95/520324095.db2.gz AAKVBSBUAPZSCC-UDWIEESQSA-N -1 0 356.426 4.418 50 30 FIEARM CCOc1cc(C=Nn2c(=S)[n-]nc2-c2cccc(Cl)c2)ccc1O ZINC000001478809 520644063 /nfs/dbraw/zinc/64/40/63/520644063.db2.gz INQHIPWNSOHLPZ-VXLYETTFSA-N -1 0 374.853 4.248 50 30 FIEARM CCOc1cccc(C=Nn2c(=S)[n-]nc2-c2cccc(Cl)c2)c1O ZINC000001478779 521316857 /nfs/dbraw/zinc/31/68/57/521316857.db2.gz KMHOCNOPWMPXOC-VXLYETTFSA-N -1 0 374.853 4.248 50 30 FIEARM COc1cc(C(=O)/C=C\c2ccc(C(C)C)cc2)ccc1OCC(=O)[O-] ZINC000096792833 522053121 /nfs/dbraw/zinc/05/31/21/522053121.db2.gz JHGLPYMVDMUZAD-POHAHGRESA-N -1 0 354.402 4.178 50 30 FIEARM COc1ccc(C(=O)/C=C\c2cccc(C)c2)cc1CSCC(=O)[O-] ZINC000096867708 523543680 /nfs/dbraw/zinc/54/36/80/523543680.db2.gz HNMQAXJKQBWRPK-VURMDHGXSA-N -1 0 356.443 4.218 50 30 FIEARM Cc1ccc2c(c1)/C(=N/[O-])C(=O)N2Cc1ccc(OCCC(C)C)cc1 ZINC000039853920 526136174 /nfs/dbraw/zinc/13/61/74/526136174.db2.gz RIXATGVATSKWFC-XDOYNYLZSA-N -1 0 352.434 4.145 50 30 FIEARM C=CCOc1ccc(/C=C(\CC(=O)[O-])c2nc3ccccc3o2)cc1OC ZINC000007914000 568265440 /nfs/dbraw/zinc/26/54/40/568265440.db2.gz VMXKOZAXODNUPD-RVDMUPIBSA-N -1 0 365.385 4.417 50 30 FIEARM CC[C@H](C)c1ccc(O)c(/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])c1 ZINC000003044500 570550756 /nfs/dbraw/zinc/55/07/56/570550756.db2.gz OJTCACJXAPKWJW-NTOSSWPYSA-N -1 0 359.338 4.178 50 30 FIEARM O=C([O-])c1ccc(/C=C2\N=C(SCc3ccccc3)SC2=O)cc1 ZINC000004953790 570614914 /nfs/dbraw/zinc/61/49/14/570614914.db2.gz RQIMURSJHHHLHO-GDNBJRDFSA-N -1 0 355.440 4.289 50 30 FIEARM C=C(C)[C@@](C)(CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000072481822 571053863 /nfs/dbraw/zinc/05/38/63/571053863.db2.gz FWENTROLZFINEH-JOCHJYFZSA-N -1 0 365.429 4.335 50 30 FIEARM CCCCS(=O)(=O)[N-]C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000040129936 571081945 /nfs/dbraw/zinc/08/19/45/571081945.db2.gz CTSCKRINGIAURY-UHFFFAOYSA-N -1 0 370.858 4.014 50 30 FIEARM C=CCOc1c(/N=N/c2ccc(C(=O)[O-])cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000009044246 571093092 /nfs/dbraw/zinc/09/30/92/571093092.db2.gz VFWLWHOPJKWMAJ-ISLYRVAYSA-N -1 0 372.293 4.181 50 30 FIEARM C=C(C)CSc1n[n-]c2nc3c(c(=O)n21)[C@@](C)(CC)Cc1ccccc1-3 ZINC000009357706 571106250 /nfs/dbraw/zinc/10/62/50/571106250.db2.gz BVFJCNDDMIBGDU-FQEVSTJZSA-N -1 0 366.490 4.389 50 30 FIEARM O=C1c2ccccc2C(=O)C1=CC=CC=CC1=C([O-])c2ccccc2C1=O ZINC000034111492 571147273 /nfs/dbraw/zinc/14/72/73/571147273.db2.gz CXIFCQTUHDTLAN-DZPBGTKHSA-N -1 0 354.361 4.270 50 30 FIEARM Cc1sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c(C#N)c1-c1ccccc1 ZINC000006184260 571153461 /nfs/dbraw/zinc/15/34/61/571153461.db2.gz MWRWKYCNJYRWIB-HUUCEWRRSA-N -1 0 368.458 4.425 50 30 FIEARM CCC[C@@H]1CCc2c(C#N)c(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])sc2C1 ZINC000005952186 571169313 /nfs/dbraw/zinc/16/93/13/571169313.db2.gz BUXWHIOIEROXSL-SNPRPXQTSA-N -1 0 372.490 4.130 50 30 FIEARM CCC[C@@H]1CCc2c(C#N)c(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])sc2C1 ZINC000005952184 571169318 /nfs/dbraw/zinc/16/93/18/571169318.db2.gz BRINQOKNWFCARM-YUELXQCFSA-N -1 0 374.506 4.354 50 30 FIEARM O=S(=O)([O-])CCCN1c2ccccc2S/C1=C\C=Nc1ccccc1 ZINC000254288696 571200444 /nfs/dbraw/zinc/20/04/44/571200444.db2.gz BBNSCFVDGDDQRS-RSLCLNNDSA-N -1 0 374.487 4.121 50 30 FIEARM Cc1ccc(-c2nc(SCC(=O)c3ccccc3)[n-]c(=O)c2C#N)cc1 ZINC000001016893 219353569 /nfs/dbraw/zinc/35/35/69/219353569.db2.gz VRWYEUPWCJGLQT-UHFFFAOYSA-N -1 0 361.426 4.004 50 30 FIEARM COc1ccc(/C=C/C(=O)c2cc3c(C)cc(=O)oc3c(C)c2[O-])cc1 ZINC000012893621 220039761 /nfs/dbraw/zinc/03/97/61/220039761.db2.gz MXQWQOSZAIBFAO-RMKNXTFCSA-N -1 0 350.370 4.020 50 30 biogenic FIEARM CCCc1ccc(-c2c(C)sc(NC(=O)CCC(=O)[O-])c2C#N)cc1 ZINC000017073624 220204298 /nfs/dbraw/zinc/20/42/98/220204298.db2.gz OJRLTGFVBJYVOU-UHFFFAOYSA-N -1 0 356.447 4.351 50 30 FIEARM CN(C)C=CC(=O)C(Cc1c(F)cccc1Cl)=C([O-])c1ccccc1 ZINC000020218988 220317667 /nfs/dbraw/zinc/31/76/67/220317667.db2.gz BFIJEZTVDIBSKM-PCUGXKRQSA-N -1 0 359.828 4.165 50 30 FIEARM CN1CCc2ccc(C([O-])=C(C#N)c3nc4cc(Cl)ccc4s3)cc21 ZINC000097117154 222161802 /nfs/dbraw/zinc/16/18/02/222161802.db2.gz SCQMRWMRKMYEEN-AWEZNQCLSA-N -1 0 367.861 4.432 50 30 FIEARM CCCCCCCc1c(C)[n-]n(S(=O)(=O)c2ccccc2Cl)c1=O ZINC000100397197 222242469 /nfs/dbraw/zinc/24/24/69/222242469.db2.gz SQOFIZQRWLWCEC-AWEZNQCLSA-N -1 0 370.902 4.224 50 30 FIEARM CCN1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)S/C1=N/c1ccc(F)cc1 ZINC000101754028 222283152 /nfs/dbraw/zinc/28/31/52/222283152.db2.gz YNGOGOMEIVRRLM-XKOOYEHJSA-N -1 0 370.405 4.148 50 30 FIEARM CC(=O)c1ccc(N=NC(C(=O)c2ccccc2)=C([O-])c2ccccc2)cc1 ZINC000000672255 263141261 /nfs/dbraw/zinc/14/12/61/263141261.db2.gz ZQINVIJSHPKZLF-UHFFFAOYSA-N -1 0 370.408 4.423 50 30 FIEARM CCOc1ccc(C=Nn2c(=S)[n-]nc2-c2cccc(C)c2)cc1OC ZINC000005959759 520853910 /nfs/dbraw/zinc/85/39/10/520853910.db2.gz AXTVPMPPLMESMI-UDWIEESQSA-N -1 0 368.462 4.206 50 30 FIEARM COc1ccccc1C=Nn1c(=S)[n-]nc1-c1cccc(OC(C)C)c1 ZINC000009088107 524326825 /nfs/dbraw/zinc/32/68/25/524326825.db2.gz YHNIVVHURNKEKE-UDWIEESQSA-N -1 0 368.462 4.286 50 30 FIEARM O=C1c2cccc(Br)c2O/C1=C\c1ccc([O-])c(Cl)c1 ZINC000299738273 527125531 /nfs/dbraw/zinc/12/55/31/527125531.db2.gz PSCUFJWOGZATPL-QPEQYQDCSA-N -1 0 351.583 4.424 50 30 FIEARM O=[N+]([O-])c1cc(Br)c([O-])c(C=Nc2ccc3ncccc3c2)c1 ZINC000252680201 527328151 /nfs/dbraw/zinc/32/81/51/527328151.db2.gz XLKMITSXHKQGJF-UHFFFAOYSA-N -1 0 372.178 4.362 50 30 FIEARM COc1ccc(/N=C/c2c([O-])c3ccccc3n(-c3ccccc3)c2=O)cc1 ZINC000226762166 570611304 /nfs/dbraw/zinc/61/13/04/570611304.db2.gz RCPGHNCZKZGCCX-BUVRLJJBSA-N -1 0 370.408 4.456 50 30 FIEARM CCOc1cc([N+](=O)[O-])cc(/C=N/c2cc(C(C)(C)C)ccc2O)c1[O-] ZINC000004991133 570616658 /nfs/dbraw/zinc/61/66/58/570616658.db2.gz UTIOAFFBBPBWLU-RGVLZGJSSA-N -1 0 358.394 4.453 50 30 FIEARM Cc1cc(C)cc(OCCC(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000048418040 570954422 /nfs/dbraw/zinc/95/44/22/570954422.db2.gz MOEHLFSLWCCJEK-UHFFFAOYSA-N -1 0 367.854 4.071 50 30 FIEARM Cc1ccc2c(c1)C(=N[O-])C(=O)[N+]2CCCOc1ccc2ccccc2c1 ZINC000343516912 571142109 /nfs/dbraw/zinc/14/21/09/571142109.db2.gz ISIQKGIPJXPDKO-UHFFFAOYSA-N -1 0 360.413 4.107 50 30 FIEARM CCCCCOc1ccc(C[N+]2c3ccc(C)cc3C(=N[O-])C2=O)cc1 ZINC000343516832 571142222 /nfs/dbraw/zinc/14/22/22/571142222.db2.gz AIPBQXQMEJWACQ-UHFFFAOYSA-N -1 0 352.434 4.254 50 30 FIEARM Fc1cccc(Cl)c1C=Nn1c(=S)[n-]nc1-c1ccccc1F ZINC000009087911 571237497 /nfs/dbraw/zinc/23/74/97/571237497.db2.gz VYHPREHQRMTHSR-UFWORHAWSA-N -1 0 350.781 4.421 50 30 FIEARM Cc1cccc(-c2n[n-]c(=S)n2N=Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000002209788 571277634 /nfs/dbraw/zinc/27/76/34/571277634.db2.gz ROGFDQMMJNCVNA-GIJQJNRQSA-N -1 0 373.825 4.360 50 30 FIEARM N#Cc1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])sc2c1CCCCCC2 ZINC000002747585 571340728 /nfs/dbraw/zinc/34/07/28/571340728.db2.gz QSFQDICYVNWTAA-KBPBESRZSA-N -1 0 360.479 4.108 50 30 FIEARM [O-]c1c(Br)cc(Br)cc1C=Nc1ccccn1 ZINC000254797077 571344987 /nfs/dbraw/zinc/34/49/87/571344987.db2.gz DMKCSXSPFSKZOB-UHFFFAOYSA-N -1 0 356.017 4.063 50 30 FIEARM Cc1ccccc1NC(=O)c1[n-]cnc1C(=O)Nc1ccc(Cl)cc1 ZINC000004978921 1086430902 /nfs/dbraw/zinc/43/09/02/1086430902.db2.gz OTKRCIKLAJKMEZ-UHFFFAOYSA-N -1 0 354.797 4.260 50 30 FIEARM N#CC(C#N)C1(c2c(=O)[nH][n-]c2-c2ccccc2)C2CC3CC(C2)CC1C3 ZINC000002285893 1122036037 /nfs/dbraw/zinc/03/60/37/1122036037.db2.gz RABBHMDJYHELBI-UHFFFAOYSA-N -1 0 358.445 4.140 50 30 FIEARM CCc1cc(C#N)c([N-]S(=O)(=O)c2cccc(Cl)c2Cl)s1 ZINC000328594110 529509750 /nfs/dbraw/zinc/50/97/50/529509750.db2.gz QMYMJGIDTATIQB-UHFFFAOYSA-N -1 0 361.275 4.290 50 30 FIEARM Cc1ccc(/N=C/c2c3c(cc([N+](=O)[O-])c2[O-])oc2c3CCCC2)nc1 ZINC000002266754 219434865 /nfs/dbraw/zinc/43/48/65/219434865.db2.gz LEQFLANKDUCJLW-UFFVCSGVSA-N -1 0 351.362 4.379 50 30 FIEARM Cc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000006054243 219711842 /nfs/dbraw/zinc/71/18/42/219711842.db2.gz VTRUFSCFBTUTQA-GIJQJNRQSA-N -1 0 373.825 4.360 50 30 FIEARM COc1cc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)cc(Cl)c1OC ZINC000096920060 222140439 /nfs/dbraw/zinc/14/04/39/222140439.db2.gz NLGOZIUCNBWAIY-ARJAWSKDSA-N -1 0 352.795 4.013 50 30 FIEARM CCCN1C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)S/C1=N/c1ccccc1 ZINC000100233613 222239320 /nfs/dbraw/zinc/23/93/20/222239320.db2.gz FHCVEQJULLWZMS-NLIDQGKYSA-N -1 0 366.442 4.399 50 30 FIEARM C=CCN1C(=O)C(=O)C(=C([O-])c2ccccc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000101231773 222265041 /nfs/dbraw/zinc/26/50/41/222265041.db2.gz CEIVPTXSKWMZCV-YDJIHCHBSA-N -1 0 361.441 4.418 50 30 FIEARM C=CCn1c(SCc2ccc(C(=O)[O-])cc2)nnc1-c1cccc(C)c1 ZINC000008848152 519238834 /nfs/dbraw/zinc/23/88/34/519238834.db2.gz NOSMPOHFAVOCAA-UHFFFAOYSA-N -1 0 365.458 4.430 50 30 FIEARM COc1cccc(C=Nn2c(=S)[n-]nc2-c2cccc(OC(C)C)c2)c1 ZINC000005690101 525775621 /nfs/dbraw/zinc/77/56/21/525775621.db2.gz MGTJWDJEKYQBNN-UDWIEESQSA-N -1 0 368.462 4.286 50 30 FIEARM N#CC(=C([O-])c1cc(-c2ccccc2Cl)on1)c1nc2ccccc2[nH]1 ZINC000048813207 526492834 /nfs/dbraw/zinc/49/28/34/526492834.db2.gz RCLWMYLGMZARSG-LBPRGKRZSA-N -1 0 362.776 4.361 50 30 FIEARM O=C1c2c(c(Cl)ccc2Cl)O/C1=C\c1ccc([N+](=O)[O-])c([O-])c1 ZINC000299738232 527119106 /nfs/dbraw/zinc/11/91/06/527119106.db2.gz LLWGHBMNOZUDDS-SDQBBNPISA-N -1 0 352.129 4.223 50 30 FIEARM CCN(CC)c1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)c(O)c1 ZINC000001473753 570501409 /nfs/dbraw/zinc/50/14/09/570501409.db2.gz ATSJUPWBIADYLG-DEDYPNTBSA-N -1 0 367.478 4.042 50 30 FIEARM Cc1cc(C)c(C#N)c(SCc2cc(=O)oc3cc([O-])c(Cl)cc23)n1 ZINC000011865323 570597118 /nfs/dbraw/zinc/59/71/18/570597118.db2.gz HMWBIGUBQQZLKQ-UHFFFAOYSA-N -1 0 372.833 4.328 50 30 FIEARM C[C@@H]1CCc2c(C#N)c(NC(=O)CC3(CC(=O)[O-])CCCCC3)sc2C1 ZINC000024151090 570612457 /nfs/dbraw/zinc/61/24/57/570612457.db2.gz JQJQZNZEVVGVDL-CYBMUJFWSA-N -1 0 374.506 4.498 50 30 FIEARM Cc1ccc(C)c(NC(=O)C([O-])=C(C#N)c2c(Cl)cccc2Cl)c1 ZINC000005681978 570633316 /nfs/dbraw/zinc/63/33/16/570633316.db2.gz ZRRBYYIOLPSPFH-LBPRGKRZSA-N -1 0 361.228 4.425 50 30 FIEARM N#CC(=C([O-])C(=O)Nc1ccc(Cl)cc1)c1c(Cl)cccc1Cl ZINC000005889467 570637877 /nfs/dbraw/zinc/63/78/77/570637877.db2.gz IOAXRPAAZOTZJD-LLVKDONJSA-N -1 0 367.619 4.462 50 30 FIEARM O=C([O-])c1ccc(C/N=C2\c3ccccc3C(=O)[C@H]2c2ccccc2)cc1 ZINC000005942276 570638770 /nfs/dbraw/zinc/63/87/70/570638770.db2.gz HLDLOYGUYMHNOP-WBCOUHNMSA-N -1 0 355.393 4.354 50 30 FIEARM N#CC(=C([O-])C(=O)Nc1ccccc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000025574768 570997318 /nfs/dbraw/zinc/99/73/18/570997318.db2.gz RWQPIIGFNYJNOP-LBPRGKRZSA-N -1 0 366.726 4.174 50 30 FIEARM COC(=O)c1ccc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cc1 ZINC000083895732 571057730 /nfs/dbraw/zinc/05/77/30/571057730.db2.gz WQIDANQSMYZEBR-CYBMUJFWSA-N -1 0 370.817 4.226 50 30 FIEARM CCN(CC)c1ccc(C=[NH+][N-]c2nnc3c4cccc(C)c4nc-3[n-]2)cc1 ZINC000033941794 571067046 /nfs/dbraw/zinc/06/70/46/571067046.db2.gz YODUIVLFODVJNP-XKZIYDEJSA-N -1 0 373.464 4.107 50 30 FIEARM C[C@H](C#N)Sc1[n-]c(=O)c(-c2nc(-c3ccccc3)cs2)cc1C#N ZINC000008942142 571078552 /nfs/dbraw/zinc/07/85/52/571078552.db2.gz KSWHZASIMBUITG-LLVKDONJSA-N -1 0 364.455 4.041 50 30 FIEARM O=C1C[C@H](c2cccs2)CC2=Nc3nonc3N[C@H](c3ccccc3)C12 ZINC000012409231 571093534 /nfs/dbraw/zinc/09/35/34/571093534.db2.gz ALRHUGTWLUJUSP-SJKOYZFVSA-N -1 0 364.430 4.111 50 30 FIEARM [O-]c1c(Br)cc(Br)cc1/C=N\c1cccnc1 ZINC000012475387 571172872 /nfs/dbraw/zinc/17/28/72/571172872.db2.gz UPUCMBYGXHVCQK-SOFYXZRVSA-N -1 0 356.017 4.063 50 30 FIEARM Cc1ccc(N=Nc2c(=O)n(-c3ccccc3)[n-]c2-c2ccccc2)cc1 ZINC000252622904 571288468 /nfs/dbraw/zinc/28/84/68/571288468.db2.gz OFLIORIYPJMGBP-UHFFFAOYSA-N -1 0 354.413 4.214 50 30 FIEARM Cc1ccc2c(c1)C(=N[O-])C(=O)N2Cc1ccc(OCCC(C)C)cc1 ZINC000253388801 571311903 /nfs/dbraw/zinc/31/19/03/571311903.db2.gz RIXATGVATSKWFC-UHFFFAOYSA-N -1 0 352.434 4.145 50 30 FIEARM C=CCn1c2ccccc2c([O-])c(C(=O)Nc2cccc(Cl)c2C)c1=O ZINC000012414636 219991057 /nfs/dbraw/zinc/99/10/57/219991057.db2.gz RIGJVFVCPFLVCV-UHFFFAOYSA-N -1 0 368.820 4.107 50 30 FIEARM C=CCN1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)SC1=S ZINC000015011995 220141731 /nfs/dbraw/zinc/14/17/31/220141731.db2.gz AUXYITBDQGHTIJ-XNTDXEJSSA-N -1 0 371.439 4.032 50 30 FIEARM Cc1cc(C)c(O)c(/N=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])c1 ZINC000016662139 220190085 /nfs/dbraw/zinc/19/00/85/220190085.db2.gz FGGRSAIJYJGLQB-REZTVBANSA-N -1 0 365.183 4.136 50 30 FIEARM COc1cc(/C=C\c2cc(C(=O)[O-])c3ccccc3n2)ccc1OCC#N ZINC000033497063 220744254 /nfs/dbraw/zinc/74/42/54/220744254.db2.gz GSRUTBQLCIQAQY-VURMDHGXSA-N -1 0 360.369 4.014 50 30 FIEARM O=C([O-])c1ccc(/C=C2/CCOc3ccc(Br)cc3C2=O)cc1 ZINC000096942151 222144981 /nfs/dbraw/zinc/14/49/81/222144981.db2.gz INVXEHGPVCADMX-LCYFTJDESA-N -1 0 373.202 4.196 50 30 FIEARM CC(C)(Oc1ccc2c(c1)CC/C(=C/c1cccc(F)c1)C2=O)C(=O)[O-] ZINC000098055719 222224078 /nfs/dbraw/zinc/22/40/78/222224078.db2.gz FYHRQLPSDCNKKO-GDNBJRDFSA-N -1 0 354.377 4.280 50 30 FIEARM COc1ccccc1N=CC(C(=O)C(F)(F)F)=C([O-])c1cccs1 ZINC000100862354 222254867 /nfs/dbraw/zinc/25/48/67/222254867.db2.gz RLTSBAFLDPXVNW-KTKRTIGZSA-N -1 0 355.337 4.067 50 30 FIEARM CC1CCC(C#N)(c2c([O-])n(-c3ccccc3)n(-c3ccccc3)c2=O)CC1 ZINC000101172490 222264944 /nfs/dbraw/zinc/26/49/44/222264944.db2.gz FSDDPUJHTMIVOQ-UHFFFAOYSA-N -1 0 373.456 4.318 50 30 FIEARM C=CCc1cccc(C=Nn2c(-c3ccc(C)cc3)n[n-]c2=S)c1O ZINC000001478074 519141381 /nfs/dbraw/zinc/14/13/81/519141381.db2.gz DLSLPFJDNWPCJO-UDWIEESQSA-N -1 0 350.447 4.232 50 30 FIEARM CC1=NN(c2ccc(C([O-])=C(C#N)c3nc4ccccc4s3)cc2)CC1 ZINC000048824470 520892146 /nfs/dbraw/zinc/89/21/46/520892146.db2.gz WPXBHIIYPPAGEP-MRXNPFEDSA-N -1 0 360.442 4.372 50 30 FIEARM CCc1cccc2c(C([O-])=C(C#N)C(=O)CSC3CCCC3)c[nH]c21 ZINC000103780573 521787291 /nfs/dbraw/zinc/78/72/91/521787291.db2.gz GBLACJCVNDPWSI-MRXNPFEDSA-N -1 0 354.475 4.298 50 30 FIEARM C[C@@H](Oc1ccc(C(=O)/C=C/c2ccccc2OC(F)F)cc1)C(=O)[O-] ZINC000016390641 525921322 /nfs/dbraw/zinc/92/13/22/525921322.db2.gz SQPFRYCKQNXFEA-JATZPVMKSA-N -1 0 362.328 4.036 50 30 FIEARM CC(C)N1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)S/C1=N\c1ccccc1 ZINC000002140080 570515166 /nfs/dbraw/zinc/51/51/66/570515166.db2.gz CVGFQPNVJZOWJN-RRZDCZAYSA-N -1 0 366.442 4.397 50 30 FIEARM CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1ccccc1C(=O)[O-] ZINC000004801705 570606964 /nfs/dbraw/zinc/60/69/64/570606964.db2.gz YWIJTIGKAKYMJY-UNOMPAQXSA-N -1 0 367.470 4.358 50 30 FIEARM Cc1[n-]n(-c2cccc(C(F)(F)F)c2)c(=O)c1N=Nc1cccc(C)c1 ZINC000005446568 570627349 /nfs/dbraw/zinc/62/73/49/570627349.db2.gz JPJUOLIQYULTBU-XQNSMLJCSA-N -1 0 360.339 4.204 50 30 FIEARM N#CC(=C([O-])C(=O)Nc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1 ZINC000005714011 570633861 /nfs/dbraw/zinc/63/38/61/570633861.db2.gz HWRWLUYLFXQSSP-AWEZNQCLSA-N -1 0 366.726 4.174 50 30 FIEARM CCc1c(C)c(C#N)c2nc3ccccc3n2c1NN=Cc1cccc(O)c1 ZINC000005461655 570659429 /nfs/dbraw/zinc/65/94/29/570659429.db2.gz UXHYLQXIQLQMAR-ZMOGYAJESA-N -1 0 369.428 4.382 50 30 FIEARM O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc3oc(-c4cccnc4)nc3c2)c1 ZINC000005513928 570666379 /nfs/dbraw/zinc/66/63/79/570666379.db2.gz GTGPGBBGNBCBDD-SRZZPIQSSA-N -1 0 360.329 4.254 50 30 FIEARM COc1ccc2c(c1)C(=NNc1ccc(C(=O)[O-])cc1)c1cc(OC)ccc1-2 ZINC000005720889 570861751 /nfs/dbraw/zinc/86/17/51/570861751.db2.gz XNITYHSRLXTGKB-UHFFFAOYSA-N -1 0 374.396 4.247 50 30 FIEARM CCN1C(=O)/C(=C/c2ccccc2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000008654237 571054234 /nfs/dbraw/zinc/05/42/34/571054234.db2.gz BRXYFLCMENZGEC-MIMOMMJQSA-N -1 0 352.415 4.009 50 30 FIEARM C=CCN1C(=O)S/C(=C/c2cc(Cl)c([O-])c(Br)c2)C1=O ZINC000012343652 571117977 /nfs/dbraw/zinc/11/79/77/571117977.db2.gz KGWNOUXOIWQEBZ-UXBLZVDNSA-N -1 0 374.643 4.030 50 30 FIEARM C=CCc1cccc(C=Nn2c(-c3ccccc3F)n[n-]c2=S)c1O ZINC000002522902 571277598 /nfs/dbraw/zinc/27/75/98/571277598.db2.gz UUSTXMITEPWKEV-RGVLZGJSSA-N -1 0 354.410 4.063 50 30 FIEARM O=[N+]([O-])c1cccc(-c2nc3ccccn3c2N=Cc2ccc(O)cc2O)c1 ZINC000252517752 571282160 /nfs/dbraw/zinc/28/21/60/571282160.db2.gz QKQHAHQXIGKIQW-UHFFFAOYSA-N -1 0 374.356 4.071 50 30 FIEARM CCCN1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)SC1=Nc1ccccc1 ZINC000252602394 571284772 /nfs/dbraw/zinc/28/47/72/571284772.db2.gz FHCVEQJULLWZMS-DPFLMNNXSA-N -1 0 366.442 4.399 50 30 FIEARM CN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=Nc1cccc(C(=O)[O-])c1 ZINC000252614764 571286004 /nfs/dbraw/zinc/28/60/04/571286004.db2.gz JMTPMAALMKCZGK-YMMLTTEXSA-N -1 0 372.833 4.272 50 30 FIEARM CC(N=Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1)c1ccccc1 ZINC000004311288 571357775 /nfs/dbraw/zinc/35/77/75/571357775.db2.gz TYPHFPKEEZXCIG-BKUYFWCQSA-N -1 0 351.431 4.273 50 30 FIEARM CCC[C@@H]1CCc2nc(NC(=O)c3s[n-]c(=O)c3Cl)sc2C1 ZINC000328792822 1089917742 /nfs/dbraw/zinc/91/77/42/1089917742.db2.gz RPNNZQJJYNDMOZ-SSDOTTSWSA-N -1 0 357.888 4.500 50 30 FIEARM O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc(Br)c(Cl)c2)c1 ZINC000004990682 219635100 /nfs/dbraw/zinc/63/51/00/219635100.db2.gz CCQSTFAVWQGFRM-FRKPEAEDSA-N -1 0 355.575 4.467 50 30 FIEARM O=S(=O)([N-]c1ccccn1)c1ccc(/N=C/c2ccccc2Cl)cc1 ZINC000006059879 219711426 /nfs/dbraw/zinc/71/14/26/219711426.db2.gz KLGBKTCWCOVZMV-FYJGNVAPSA-N -1 0 371.849 4.286 50 30 FIEARM CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[NH+](C)C)C2=O)c2ccccc21 ZINC000020649937 220337692 /nfs/dbraw/zinc/33/76/92/220337692.db2.gz NEHVMHHNIOSNQY-RGVLZGJSSA-N -1 0 362.429 4.045 50 30 FIEARM Cc1ccc(S(=O)(=O)[N-]C(=O)C2(c3ccc(F)cc3)CCC2)cc1C ZINC000048474154 221013197 /nfs/dbraw/zinc/01/31/97/221013197.db2.gz VBTIDZNAUJSJQP-UHFFFAOYSA-N -1 0 361.438 4.210 50 30 FIEARM CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000082067500 221697570 /nfs/dbraw/zinc/69/75/70/221697570.db2.gz CBPJQFCAFFNICX-IBGZPJMESA-N -1 0 353.418 4.229 50 30 in-vitro FIEARM CCc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c2ccccc2n1 ZINC000097048807 222155605 /nfs/dbraw/zinc/15/56/05/222155605.db2.gz YCRAUVNOGZYLLB-UHFFFAOYSA-N -1 0 371.849 4.123 50 30 FIEARM CN1C(=O)/C(=C/c2ccccc2)S/C1=N/c1ccc(Cl)c(C(=O)[O-])c1 ZINC000100260940 222240962 /nfs/dbraw/zinc/24/09/62/222240962.db2.gz XODVTPHXNRREAL-LBVWADOBSA-N -1 0 372.833 4.272 50 30 FIEARM COc1ccc([C@H]2CC(=O)C=C(Nc3ccc(CC(=O)[O-])cc3)C2)cc1 ZINC000104087994 222349653 /nfs/dbraw/zinc/34/96/53/222349653.db2.gz AKYGANLDALJVNW-USCXLKSCSA-N -1 0 351.402 4.414 50 30 FIEARM COc1cc(/C=C/C(=O)c2cc(Cl)c(C)cc2[O-])cc(OC)c1OC ZINC000004252524 263332214 /nfs/dbraw/zinc/33/22/14/263332214.db2.gz NWALRILOGURVOS-AATRIKPKSA-N -1 0 362.809 4.276 50 30 FIEARM N#CCOc1ccccc1/C=C(/CC(=O)[O-])c1nc2ccccc2s1 ZINC000032642101 263393558 /nfs/dbraw/zinc/39/35/58/263393558.db2.gz HEQIBZLRXDHQDP-KAMYIIQDSA-N -1 0 350.399 4.214 50 30 FIEARM CCCOc1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(OC)cc2)cc1 ZINC000001819204 520323364 /nfs/dbraw/zinc/32/33/64/520323364.db2.gz IJQANIXFLNGWBH-DEDYPNTBSA-N -1 0 368.462 4.287 50 30 FIEARM COc1ccc(C(=O)/C=C\c2ccccc2OC(C)C)cc1CC(=O)[O-] ZINC000096814812 523545187 /nfs/dbraw/zinc/54/51/87/523545187.db2.gz JDKYIERNDYLWAT-NTMALXAHSA-N -1 0 354.402 4.006 50 30 FIEARM O=C([O-])COc1ccc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000006251106 527615983 /nfs/dbraw/zinc/61/59/83/527615983.db2.gz FOQYGUONWULVMU-RMKNXTFCSA-N -1 0 350.292 4.065 50 30 FIEARM C/C(=N\Nc1c(Cl)cc(Cl)cc1Cl)c1c([O-])cc(C)oc1=O ZINC000004323349 570585331 /nfs/dbraw/zinc/58/53/31/570585331.db2.gz SMQKWKREYHBRFM-CNHKJKLMSA-N -1 0 361.612 4.450 50 30 FIEARM O=C([O-])C[C@H]1S/C(=N\N=C2CCCCCCC2)N(c2ccccc2)C1=O ZINC000004492377 570592439 /nfs/dbraw/zinc/59/24/39/570592439.db2.gz SUNHNCOUVBVRPZ-BSBNDGSWSA-N -1 0 373.478 4.066 50 30 FIEARM CCc1ccc2nc3[n-]c(NN=Cc4ccc(Cl)cc4)nnc-3c2c1 ZINC000005471588 570627755 /nfs/dbraw/zinc/62/77/55/570627755.db2.gz FYQOGZGMVKTJJF-KEBDBYFISA-N -1 0 350.813 4.168 50 30 FIEARM Cc1cccc(C)c1NC(=O)C([O-])=C(C#N)c1c(Cl)cccc1Cl ZINC000005711303 570633916 /nfs/dbraw/zinc/63/39/16/570633916.db2.gz CSFWEHJLMRTVCG-LBPRGKRZSA-N -1 0 361.228 4.425 50 30 FIEARM O=C(C1=C(O)C(=O)N(c2ccc(O)cc2)[C@H]1c1ccccc1)c1ccccc1 ZINC000005491456 570663465 /nfs/dbraw/zinc/66/34/65/570663465.db2.gz BYXCYOZKXQXYEV-FQEVSTJZSA-N -1 0 371.392 4.175 50 30 FIEARM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1sc(C)c(C)c1C#N ZINC000102658393 570835152 /nfs/dbraw/zinc/83/51/52/570835152.db2.gz PCPXKZRNFCXYCL-LICLKQGHSA-N -1 0 350.447 4.264 50 30 FIEARM CC(=CC(=O)c1ccc(Br)cc1)Nc1ccc(C(=O)[O-])cc1 ZINC000018190541 570876683 /nfs/dbraw/zinc/87/66/83/570876683.db2.gz GMGZIGIETDYGCJ-ZHACJKMWSA-N -1 0 360.207 4.346 50 30 FIEARM CCN1c2ccc(S(=O)(=O)[O-])cc2C(C)(C)/C1=C\C=Nc1ccccc1 ZINC000334160118 571185566 /nfs/dbraw/zinc/18/55/66/571185566.db2.gz DZZLKLFMSFKOPT-BWJCRUAASA-N -1 0 370.474 4.337 50 30 FIEARM C=CCn1c(=O)c2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2[n-]c1=S ZINC000012607242 571190641 /nfs/dbraw/zinc/19/06/41/571190641.db2.gz XYWCZHUGDJXOAP-UHFFFAOYSA-N -1 0 365.458 4.114 50 30 FIEARM CCN(CC)c1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2F)cc1 ZINC000005694977 571214456 /nfs/dbraw/zinc/21/44/56/571214456.db2.gz IDOGFLWNNKGIOQ-FYJGNVAPSA-N -1 0 369.469 4.475 50 30 FIEARM CCCCCOc1ccccc1CN1c2ccc(C)cc2C(=N[O-])C1=O ZINC000252458606 571278916 /nfs/dbraw/zinc/27/89/16/571278916.db2.gz WQYHSYVOGLWSBP-UHFFFAOYSA-N -1 0 352.434 4.289 50 30 FIEARM CC(C)N1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)SC1=Nc1ccccc1 ZINC000252597768 571284440 /nfs/dbraw/zinc/28/44/40/571284440.db2.gz CVGFQPNVJZOWJN-VTPWGRHDSA-N -1 0 366.442 4.397 50 30 FIEARM Clc1ccc(C=NNc2nnc3c4ccccc4nc-3[n-]2)c(Cl)c1 ZINC000252621039 571288207 /nfs/dbraw/zinc/28/82/07/571288207.db2.gz MRPRHUKQPQVHEP-UHFFFAOYSA-N -1 0 357.204 4.259 50 30 FIEARM N#Cc1ccc(NC(=O)c2cc(Br)c3ccccc3c2[O-])cc1 ZINC000003149538 571345094 /nfs/dbraw/zinc/34/50/94/571345094.db2.gz BVXJWJPSJKHKGZ-UHFFFAOYSA-N -1 0 367.202 4.432 50 30 FIEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc(-c3ccc(Cl)cc3)s2)C(=O)O1 ZINC000101006957 1102224857 /nfs/dbraw/zinc/22/48/57/1102224857.db2.gz DMXONLDRYUZPGO-JHTBKMLMSA-N -1 0 372.829 4.297 50 30 FIEARM N#Cc1c(=O)[n-]c(-c2cc(Br)ccc2O)cc1-c1ccccc1 ZINC000001017885 219353591 /nfs/dbraw/zinc/35/35/91/219353591.db2.gz SVSYJTYGPLVUOZ-UHFFFAOYSA-N -1 0 367.202 4.461 50 30 in-vivo FIEARM COC(=O)c1c(/N=C/c2cccc([N+](=O)[O-])c2[O-])sc2c1CC[C@@H](C)C2 ZINC000004739517 219602934 /nfs/dbraw/zinc/60/29/34/219602934.db2.gz CCCUAQXVNIYDFE-XTTRTJGBSA-N -1 0 374.418 4.024 50 30 FIEARM O=C1/C(=N\[O-])c2cc(Cl)ccc2N1Cc1c(Cl)cccc1Cl ZINC000005753815 219697759 /nfs/dbraw/zinc/69/77/59/219697759.db2.gz LMYMQPDXPWLQTE-RGEXLXHISA-N -1 0 355.608 4.372 50 30 FIEARM C=C1C(=NNc2ccc(C(=O)OCCCC)cc2)C(=O)N=C([O-])C1C#N ZINC000015952293 220173581 /nfs/dbraw/zinc/17/35/81/220173581.db2.gz IBWMERFETDXLRG-QURGRASLSA-N -1 0 354.366 4.045 50 30 FIEARM CCc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)c(C#N)c(=O)[n-]2)cc1 ZINC000055142575 221060253 /nfs/dbraw/zinc/06/02/53/221060253.db2.gz BCQLAALLMCITOB-UHFFFAOYSA-N -1 0 360.413 4.160 50 30 FIEARM CCCCCCCCn1cc(C(=O)c2cc(C)ccc2[O-])cc(C#N)c1=O ZINC000102988362 222316063 /nfs/dbraw/zinc/31/60/63/222316063.db2.gz ICFAFAUXMBPJME-UHFFFAOYSA-N -1 0 366.461 4.326 50 30 FIEARM Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1ccc(OCC#N)cc1)[C@H]1CC=C[C@H]21 ZINC000004608562 263334900 /nfs/dbraw/zinc/33/49/00/263334900.db2.gz NIVDEQFZMCZBLY-WFXMLNOXSA-N -1 0 360.413 4.422 50 30 FIEARM O=C([O-])C(=O)/C(=C/c1ccccc1OC(F)F)c1ccc2ccccc2n1 ZINC000032642017 263393741 /nfs/dbraw/zinc/39/37/41/263393741.db2.gz ZNXNATUOKXCRGX-SDNWHVSQSA-N -1 0 369.323 4.031 50 30 FIEARM CCCCCOc1ccc(CN2c3ccc(C)cc3/C(=N/[O-])C2=O)cc1 ZINC000039853921 520254055 /nfs/dbraw/zinc/25/40/55/520254055.db2.gz NFIRBGWLIUJTSO-XDOYNYLZSA-N -1 0 352.434 4.289 50 30 FIEARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@H](c1cccc(Cl)c1)C(C#N)C#N ZINC000085901863 568302333 /nfs/dbraw/zinc/30/23/33/568302333.db2.gz JWGRSBYMWCYBHG-RBUKOAKNSA-N -1 0 362.820 4.126 50 30 FIEARM C[C@H](NC(=S)N/N=C/c1cc(Cl)cc(Cl)c1[O-])c1ccccc1 ZINC000001041765 570475464 /nfs/dbraw/zinc/47/54/64/570475464.db2.gz PVWQTWSDPZBROQ-XPAGJJBOSA-N -1 0 368.289 4.258 50 30 FIEARM CCOC(=O)c1c(/N=C/c2cc([N+](=O)[O-])ccc2[O-])sc2c1CCCC2 ZINC000001958642 570510865 /nfs/dbraw/zinc/51/08/65/570510865.db2.gz YJZMOLJYKFZGQK-VXLYETTFSA-N -1 0 374.418 4.168 50 30 FIEARM S=c1[n-]nc(-c2ccccc2Br)n1N=Cc1ccccc1 ZINC000005649886 570632725 /nfs/dbraw/zinc/63/27/25/570632725.db2.gz GEBFKJOLCPMCHY-LICLKQGHSA-N -1 0 359.252 4.252 50 30 FIEARM Cc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006056275 570640582 /nfs/dbraw/zinc/64/05/82/570640582.db2.gz SDYPSZOXCBBOSY-GIJQJNRQSA-N -1 0 373.825 4.360 50 30 FIEARM O=C1C[C@@H](c2cccs2)CC2=Nc3nonc3N[C@H](c3ccccc3)C12 ZINC000012409230 571093604 /nfs/dbraw/zinc/09/36/04/571093604.db2.gz ALRHUGTWLUJUSP-YVEFUNNKSA-N -1 0 364.430 4.111 50 30 FIEARM [O-]c1c(Cl)cc(Cl)cc1[C@H](C#Cc1ccccc1)N1CCOCC1 ZINC000019770718 571140994 /nfs/dbraw/zinc/14/09/94/571140994.db2.gz QGHJGOPNFRNBTB-SFHVURJKSA-N -1 0 362.256 4.124 50 30 aggregator FIEARM Cc1cccc2c1[N+](CCCOc1ccc3ccccc3c1)C(=O)C2=N[O-] ZINC000343516986 571142078 /nfs/dbraw/zinc/14/20/78/571142078.db2.gz VMDLAPALPNRHJZ-UHFFFAOYSA-N -1 0 360.413 4.107 50 30 FIEARM CCN1c2ccc(S(=O)(=O)[O-])cc2C(C)(C)/C1=C/C=Nc1ccccc1 ZINC000334160119 571185518 /nfs/dbraw/zinc/18/55/18/571185518.db2.gz DZZLKLFMSFKOPT-KQDOTXDFSA-N -1 0 370.474 4.337 50 30 FIEARM Cc1cccc2c1N(CCCOc1ccc(C(C)(C)C)cc1)C(=O)C2=N[O-] ZINC000252458416 571278922 /nfs/dbraw/zinc/27/89/22/571278922.db2.gz GGXQNVMVSQXNOH-UHFFFAOYSA-N -1 0 366.461 4.287 50 30 FIEARM Cc1ccc(N=C2S/C(=C/c3ccc(C(=O)[O-])cc3)C(=O)N2C)cc1C ZINC000252594087 571284357 /nfs/dbraw/zinc/28/43/57/571284357.db2.gz BPIGTWSXVILZIK-UQZIKHPZSA-N -1 0 366.442 4.235 50 30 FIEARM O=C([O-])C[C@H]1SC(=NN=C2CCCCCCC2)N(c2ccccc2)C1=O ZINC000252628626 571289393 /nfs/dbraw/zinc/28/93/93/571289393.db2.gz SUNHNCOUVBVRPZ-MRXNPFEDSA-N -1 0 373.478 4.066 50 30 FIEARM O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc3oc(-c4ccncc4)nc3c2)c1 ZINC000252638231 571291576 /nfs/dbraw/zinc/29/15/76/571291576.db2.gz YAKMNBYTSBBUCS-UHFFFAOYSA-N -1 0 360.329 4.254 50 30 FIEARM