smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1nc2n(n1)C[C@H](NC(=O)Cc1ccc(Br)c(F)c1)CC2 ZINC000151663808 531514752 /nfs/dbraw/zinc/51/47/52/531514752.db2.gz HLTGRWJNUWXDSD-LLVKDONJSA-N 0 0 381.249 2.416 10 0 GEAERN CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(Cn3cccn3)CC2)c1 ZINC000152123190 531532537 /nfs/dbraw/zinc/53/25/37/531532537.db2.gz IYJJAJKZASVZRA-UHFFFAOYSA-N 0 0 381.885 2.492 10 0 GEAERN Cc1ccc(Br)c(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000153962640 531614736 /nfs/dbraw/zinc/61/47/36/531614736.db2.gz BTTJMPHMKQXKTH-LBPRGKRZSA-N 0 0 392.257 2.151 10 0 GEAERN Cc1nn(C)c2sc(C(=O)N[C@H](C)c3ccc(S(N)(=O)=O)cc3)cc12 ZINC000027324682 531623219 /nfs/dbraw/zinc/62/32/19/531623219.db2.gz XBJNBBWPUWEJMU-SECBINFHSA-N 0 0 378.479 2.082 10 0 GEAERN Cc1cnn([C@H]2CCCN(C(=O)C(=O)Nc3cncc(Br)c3)C2)c1 ZINC000154379013 531623731 /nfs/dbraw/zinc/62/37/31/531623731.db2.gz HIRDMCUEXJCBGD-AWEZNQCLSA-N 0 0 392.257 2.151 10 0 GEAERN C[C@@H](NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)c1cccs1 ZINC000030322231 531634965 /nfs/dbraw/zinc/63/49/65/531634965.db2.gz DHIRUIZJVZJKRJ-CYBMUJFWSA-N 0 0 380.491 2.260 10 0 GEAERN CCn1cnnc1C1CCN(CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000155429012 531684223 /nfs/dbraw/zinc/68/42/23/531684223.db2.gz CKLSATHFARNWKI-UHFFFAOYSA-N 0 0 393.289 2.274 10 0 GEAERN Cn1cc([C@@H]2[C@H](C(=O)Nc3cncc(Br)c3)CCC(=O)N2C)cn1 ZINC000155878399 531702384 /nfs/dbraw/zinc/70/23/84/531702384.db2.gz ROGHOXLCXXNENS-UKRRQHHQSA-N 0 0 392.257 2.126 10 0 GEAERN CCn1cnnc1C1CCN([C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000157279249 531738415 /nfs/dbraw/zinc/73/84/15/531738415.db2.gz HEXYYKYRCJQKOC-OAHLLOKOSA-N 0 0 392.301 2.467 10 0 GEAERN C[C@H](NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)c1ccc(F)c(Cl)c1 ZINC000056942763 531815406 /nfs/dbraw/zinc/81/54/06/531815406.db2.gz AJSIJSKEQTXXKQ-CMPLNLGQSA-N 0 0 377.869 2.263 10 0 GEAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000162742497 531849390 /nfs/dbraw/zinc/84/93/90/531849390.db2.gz OSZWQQJUZNIPEU-NSHDSACASA-N 0 0 389.633 2.205 10 0 GEAERN C[C@@H](NC(=O)C(=O)Nc1cnc(N(C)C)nc1)c1ccccc1Br ZINC000162904940 531853796 /nfs/dbraw/zinc/85/37/96/531853796.db2.gz NZYCVJBBFAPVGC-SNVBAGLBSA-N 0 0 392.257 2.121 10 0 GEAERN COC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000163575955 531860981 /nfs/dbraw/zinc/86/09/81/531860981.db2.gz BQAMZMJLWGNCTB-LBPRGKRZSA-N 0 0 387.205 2.081 10 0 GEAERN COC(=O)[C@@H]1C[C@H]1C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000170774193 531891541 /nfs/dbraw/zinc/89/15/41/531891541.db2.gz ALDRBHNIAFKTHX-RNFRBKRXSA-N 0 0 381.116 2.317 10 0 GEAERN Cn1cc([C@@H]2CCCN2C(=O)C(=O)Nc2cccc(Br)c2)cn1 ZINC000171397025 531905786 /nfs/dbraw/zinc/90/57/86/531905786.db2.gz PTMJHDRXCDKFRS-AWEZNQCLSA-N 0 0 377.242 2.485 10 0 GEAERN O=C(CN1CCO[C@H](c2nccs2)C1)Nc1ccc(Br)cn1 ZINC000171665363 531909418 /nfs/dbraw/zinc/90/94/18/531909418.db2.gz ITHDYCWSYGSOQT-NSHDSACASA-N 0 0 383.271 2.313 10 0 GEAERN O=C(COc1ccc(Br)cc1F)N1CCC[C@H](n2cncn2)C1 ZINC000171666291 531910642 /nfs/dbraw/zinc/91/06/42/531910642.db2.gz ULTVAIOLLKMRSK-LBPRGKRZSA-N 0 0 383.221 2.422 10 0 GEAERN Cc1nc(CN2CCCN(C(=O)c3cccc(Br)c3)CC2)no1 ZINC000171758698 531913328 /nfs/dbraw/zinc/91/33/28/531913328.db2.gz HOEYMOCSIXOSLX-UHFFFAOYSA-N 0 0 379.258 2.489 10 0 GEAERN O=C(N[C@@H]1CCc2ncnn2C1)NC1(c2ccc(Br)cc2)CC1 ZINC000171869855 531921780 /nfs/dbraw/zinc/92/17/80/531921780.db2.gz CBBDFXKDSWMIMT-CYBMUJFWSA-N 0 0 376.258 2.344 10 0 GEAERN CS(=O)(=O)NCCNC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000094017896 531928956 /nfs/dbraw/zinc/92/89/56/531928956.db2.gz AMRVGGGNTBWLDS-ZDUSSCGKSA-N 0 0 379.404 2.005 10 0 GEAERN Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H](n2cncn2)C1 ZINC000172076801 531932832 /nfs/dbraw/zinc/93/28/32/531932832.db2.gz DRNULHQOOQCLBP-ZDUSSCGKSA-N 0 0 385.287 2.375 10 0 GEAERN CC(C)c1nnc2n1C[C@@H](NC(=O)c1cc(I)c[nH]1)CC2 ZINC000172208839 531939689 /nfs/dbraw/zinc/93/96/89/531939689.db2.gz JLSALWUFLIEBSE-JTQLQIEISA-N 0 0 399.236 2.079 10 0 GEAERN Cn1cc([C@H]2[C@@H](C(=O)NCCc3ccc(Cl)s3)CCC(=O)N2C)cn1 ZINC000172139081 531936400 /nfs/dbraw/zinc/93/64/00/531936400.db2.gz XPICBNHATNRAEW-BBRMVZONSA-N 0 0 380.901 2.403 10 0 GEAERN Cc1c(CS(C)(=O)=O)cccc1NC(=O)C(=O)N[C@H](C)c1cccs1 ZINC000172142300 531936816 /nfs/dbraw/zinc/93/68/16/531936816.db2.gz QCQPTPJZQXRIDS-GFCCVEGCSA-N 0 0 380.491 2.417 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc(C[S@](C)=O)c1C ZINC000172256591 531942621 /nfs/dbraw/zinc/94/26/21/531942621.db2.gz FAZCSEBTLCENNO-FYSMJZIKSA-N 0 0 386.539 2.016 10 0 GEAERN CCc1cc(=O)n2nc(Nc3ccc(CCS(C)(=O)=O)cc3)sc2n1 ZINC000120163449 531974639 /nfs/dbraw/zinc/97/46/39/531974639.db2.gz ODTCTDUJLQSSIP-UHFFFAOYSA-N 0 0 378.479 2.044 10 0 GEAERN C[C@H](NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)c1cccc(Cl)c1 ZINC000173086694 531986848 /nfs/dbraw/zinc/98/68/48/531986848.db2.gz UFQGEQQBGCXBIP-NSHDSACASA-N 0 0 380.853 2.090 10 0 GEAERN C[C@H](Cc1cccc(Br)c1)NC(=O)NC[C@@H](C)N1CCOCC1 ZINC000120840832 531998739 /nfs/dbraw/zinc/99/87/39/531998739.db2.gz ZZWBVAYPWYBHIL-ZIAGYGMSSA-N 0 0 384.318 2.400 10 0 GEAERN C[C@@H](NC(=O)N1CCc2nn(C)c(=O)cc2C1)c1ccccc1Br ZINC000173400540 532009785 /nfs/dbraw/zinc/00/97/85/532009785.db2.gz YODQFBJNRNKUEM-LLVKDONJSA-N 0 0 391.269 2.372 10 0 GEAERN O=C(CN1C(=S)N=NC1c1cccs1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000121319964 532023385 /nfs/dbraw/zinc/02/33/85/532023385.db2.gz CACXHEMHMOSTKB-PXAZEXFGSA-N 0 0 378.523 2.449 10 0 GEAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000173763176 532031237 /nfs/dbraw/zinc/03/12/37/532031237.db2.gz DQSXXZFATVRTJN-SECBINFHSA-N 0 0 386.239 2.079 10 0 GEAERN C[C@@H](N[C@@H](C)c1ccccc1Br)C(=O)N(C)CC(=O)NC1CC1 ZINC000173807333 532035446 /nfs/dbraw/zinc/03/54/46/532035446.db2.gz LBKXYQNLRLFOEC-NWDGAFQWSA-N 0 0 382.302 2.225 10 0 GEAERN C[C@H]1CN(C(=O)COc2ccc(Br)cc2)C[C@@H]1N1CCOCC1 ZINC000173824128 532035643 /nfs/dbraw/zinc/03/56/43/532035643.db2.gz IALOYTCAIZXBBK-BBRMVZONSA-N 0 0 383.286 2.007 10 0 GEAERN CCn1cc(C2CCN(C(=O)c3c[nH]c(=O)c(Br)c3)CC2)cn1 ZINC000173851371 532037769 /nfs/dbraw/zinc/03/77/69/532037769.db2.gz URMDVZNWWDBVLW-UHFFFAOYSA-N 0 0 379.258 2.374 10 0 GEAERN CNc1cc(N2CCC[C@H]2CNS(=O)(=O)c2cc(C)sc2C)ncn1 ZINC000173900375 532039746 /nfs/dbraw/zinc/03/97/46/532039746.db2.gz IXJGSFVEWMLDFK-ZDUSSCGKSA-N 0 0 381.527 2.144 10 0 GEAERN Cc1nnc([C@H]2CN(Cc3cc4c(cc3Br)OCCO4)CCO2)[nH]1 ZINC000174098240 532048917 /nfs/dbraw/zinc/04/89/17/532048917.db2.gz CJAUKOIPKDOVEQ-OAHLLOKOSA-N 0 0 395.257 2.220 10 0 GEAERN CCc1nnc([C@H]2CN(Cc3cc4c(c(Br)c3)OCO4)CCO2)[nH]1 ZINC000174100575 532049422 /nfs/dbraw/zinc/04/94/22/532049422.db2.gz NUGSOYQGSXXKRX-CYBMUJFWSA-N 0 0 395.257 2.432 10 0 GEAERN COC(=O)C[C@H](NC(=O)NCc1noc(C)n1)c1cccc(Br)c1 ZINC000174275058 532057923 /nfs/dbraw/zinc/05/79/23/532057923.db2.gz GERAHLKHUGUPAZ-LBPRGKRZSA-N 0 0 397.229 2.244 10 0 GEAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cc(F)c(F)cc1I ZINC000174830968 532079913 /nfs/dbraw/zinc/07/99/13/532079913.db2.gz LEJWRERKKOXSSO-ANLVUFKYSA-N 0 0 380.132 2.033 10 0 GEAERN O=C(c1cc(I)c[nH]1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000123292834 532097216 /nfs/dbraw/zinc/09/72/16/532097216.db2.gz GZXRUZYIFVGLSS-GFCCVEGCSA-N 0 0 383.189 2.308 10 0 GEAERN COCc1c(Br)cccc1NC(=O)NC[C@@H](C)N1CCOCC1 ZINC000123593514 532102404 /nfs/dbraw/zinc/10/24/04/532102404.db2.gz XSQMPOYSBRZUKL-GFCCVEGCSA-N 0 0 386.290 2.438 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)NCc3sccc3Br)CCO2)[nH]1 ZINC000175466493 532103812 /nfs/dbraw/zinc/10/38/12/532103812.db2.gz RWMOOODYDNGGAP-JTQLQIEISA-N 0 0 386.275 2.220 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)NCc3ccc(F)cc3Br)CCO2)[nH]1 ZINC000175439879 532104369 /nfs/dbraw/zinc/10/43/69/532104369.db2.gz UXDCYHOOEKBHEN-ZDUSSCGKSA-N 0 0 398.236 2.298 10 0 GEAERN COC(=O)C[C@H](NC(=O)c1c[nH]c(=O)cc1C)c1cccc(Br)c1 ZINC000123912125 532111092 /nfs/dbraw/zinc/11/10/92/532111092.db2.gz UQRKXJJPYYYRCY-AWEZNQCLSA-N 0 0 393.237 2.480 10 0 GEAERN C[C@@H](NC(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1ccc(OC(F)(F)F)cc1 ZINC000123487234 532100156 /nfs/dbraw/zinc/10/01/56/532100156.db2.gz GCTHWBNMQORQCX-PWSUYJOCSA-N 0 0 380.388 2.475 10 0 GEAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C)c(Br)s2)C1 ZINC000124214397 532116757 /nfs/dbraw/zinc/11/67/57/532116757.db2.gz FEOJHYOGWLCGMR-SECBINFHSA-N 0 0 382.301 2.393 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cc(Br)ccc1C ZINC000176013687 532122982 /nfs/dbraw/zinc/12/29/82/532122982.db2.gz BUEIEUXDCXFBFH-LBPRGKRZSA-N 0 0 392.257 2.247 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccc(Br)c(C)c1 ZINC000176019689 532123108 /nfs/dbraw/zinc/12/31/08/532123108.db2.gz XLSUQWZIUMXQDK-ZDUSSCGKSA-N 0 0 392.257 2.247 10 0 GEAERN Cc1cc(I)cnc1NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000175763997 532113658 /nfs/dbraw/zinc/11/36/58/532113658.db2.gz VUKIFKVIKAEEFR-SECBINFHSA-N 0 0 399.188 2.345 10 0 GEAERN C[C@H](NC(=O)NC[C@@](C)(O)c1ccsc1)c1ccc(S(C)(=O)=O)cc1 ZINC000124818761 532129624 /nfs/dbraw/zinc/12/96/24/532129624.db2.gz SQKVUVNCMJMFJB-YVEFUNNKSA-N 0 0 382.507 2.420 10 0 GEAERN COC[C@H](C)C(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)OC ZINC000176251325 532131667 /nfs/dbraw/zinc/13/16/67/532131667.db2.gz ASILEIDIFBXSBE-ZUZCIYMTSA-N 0 0 397.269 2.413 10 0 GEAERN CCCc1cnc(NC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)s1 ZINC000126774546 532150346 /nfs/dbraw/zinc/15/03/46/532150346.db2.gz HTLDRRMWGPNRPA-SNVBAGLBSA-N 0 0 378.479 2.161 10 0 GEAERN Cc1[nH]c(=O)c(C(=O)N2CCC[C@@H](Cn3cncn3)C2)cc1Br ZINC000127422329 532153709 /nfs/dbraw/zinc/15/37/09/532153709.db2.gz RNDWQOWIBOSGQM-LLVKDONJSA-N 0 0 380.246 2.002 10 0 GEAERN Cc1ccc(NC(=O)CN2C[C@H](C)[C@H](N3CCOCC3)C2)c(Br)c1 ZINC000177238230 532165510 /nfs/dbraw/zinc/16/55/10/532165510.db2.gz ZSAUYNPAUYLKEK-WMLDXEAASA-N 0 0 396.329 2.349 10 0 GEAERN C[C@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)c1ccc(F)cc1Cl ZINC000128743466 532167253 /nfs/dbraw/zinc/16/72/53/532167253.db2.gz PBVYJIOBIUJIDU-VIFPVBQESA-N 0 0 392.861 2.166 10 0 GEAERN C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)C[C@@H]1N1CCOCC1 ZINC000176994131 532157437 /nfs/dbraw/zinc/15/74/37/532157437.db2.gz RTIUPJLFBBCLGX-YPMHNXCESA-N 0 0 379.309 2.335 10 0 GEAERN C[C@H]1CN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C[C@@H]1N1CCOCC1 ZINC000176995921 532157743 /nfs/dbraw/zinc/15/77/43/532157743.db2.gz ZHCIUBOZIOEHSN-LRDDRELGSA-N 0 0 393.336 2.476 10 0 GEAERN C[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@@H]1N1CCOCC1 ZINC000176996167 532158606 /nfs/dbraw/zinc/15/86/06/532158606.db2.gz NEHYSRBCHHYDBM-FZMZJTMJSA-N 0 0 379.309 2.335 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)Nc3nnc(-c4ccsc4)s3)CCO2)[nH]1 ZINC000177043621 532160972 /nfs/dbraw/zinc/16/09/72/532160972.db2.gz SMKDTLVDCRPVLJ-JTQLQIEISA-N 0 0 377.455 2.299 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)/C=C/c1ccc(I)o1 ZINC000177704712 532179680 /nfs/dbraw/zinc/17/96/80/532179680.db2.gz GNIMUORICIIVPO-ZRQQLDRUSA-N 0 0 398.204 2.449 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)/C=C/c1ccc(I)o1 ZINC000177704725 532179710 /nfs/dbraw/zinc/17/97/10/532179710.db2.gz GNIMUORICIIVPO-OKPNEXGHSA-N 0 0 398.204 2.449 10 0 GEAERN C[C@H]1CN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)CCS1 ZINC000177718721 532180670 /nfs/dbraw/zinc/18/06/70/532180670.db2.gz XWTOFTUZLFUSLF-VIFPVBQESA-N 0 0 387.274 2.441 10 0 GEAERN O=C(N[C@@H]1CCCn2ncnc21)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000177532105 532174367 /nfs/dbraw/zinc/17/43/67/532174367.db2.gz PHLCDQIZLJQZME-GFCCVEGCSA-N 0 0 388.225 2.147 10 0 GEAERN CC(C)n1nnnc1C[S@](=O)CC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000131369645 532197102 /nfs/dbraw/zinc/19/71/02/532197102.db2.gz WZJNEBBPCNXHPL-ODCWNRFASA-N 0 0 383.543 2.468 10 0 GEAERN O=C(Nc1cccc(Cl)c1)C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000178533181 532204745 /nfs/dbraw/zinc/20/47/45/532204745.db2.gz ZMXNPMCEZMHZBQ-CQSZACIVSA-N 0 0 378.837 2.313 10 0 GEAERN CNC(=O)[C@H](NC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1)C(C)C ZINC000178587753 532206197 /nfs/dbraw/zinc/20/61/97/532206197.db2.gz SDBRRGHQBNZJQP-CVEARBPZSA-N 0 0 396.329 2.473 10 0 GEAERN Cc1cc(NC(=O)C(=O)N[C@H]2C[C@H]2C)n(-c2cccc(Br)c2)n1 ZINC000132004346 532207896 /nfs/dbraw/zinc/20/78/96/532207896.db2.gz IMTIJLPKQQFIJF-RNCFNFMXSA-N 0 0 377.242 2.406 10 0 GEAERN CNC(=O)[C@H](NC(=O)c1ccn(-c2cccc(Br)c2)n1)C(C)C ZINC000178838214 532214162 /nfs/dbraw/zinc/21/41/62/532214162.db2.gz RDAPQZXDHWMGPQ-CQSZACIVSA-N 0 0 379.258 2.135 10 0 GEAERN C[C@H](NC(=O)C(=O)N1CCc2cc(Br)cc(F)c21)[C@H]1CCCO1 ZINC000178419974 532201289 /nfs/dbraw/zinc/20/12/89/532201289.db2.gz QAFOTRMKZYZIRL-TVQRCGJNSA-N 0 0 385.233 2.161 10 0 GEAERN Cc1cc(Br)ccc1S(=O)(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000133329170 532232317 /nfs/dbraw/zinc/23/23/17/532232317.db2.gz KLSSQPXEFVMFMR-CYBMUJFWSA-N 0 0 385.287 2.375 10 0 GEAERN Cn1cc([C@@H]2CCCN2C(=O)c2cnn3cc(Br)cnc23)cn1 ZINC000179540899 532235219 /nfs/dbraw/zinc/23/52/19/532235219.db2.gz GQWUENVUIHSYKJ-ZDUSSCGKSA-N 0 0 375.230 2.203 10 0 GEAERN CCn1c(-c2cc(O)ccc2Br)nc2c1c(=O)[nH]c(=O)n2CC ZINC000178989855 532219727 /nfs/dbraw/zinc/21/97/27/532219727.db2.gz SANWOEWPAMBMCH-UHFFFAOYSA-N 0 0 379.214 2.061 10 0 GEAERN COCCN(C(=O)N[C@H](C)c1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000179602363 532238568 /nfs/dbraw/zinc/23/85/68/532238568.db2.gz CXPSWRKBFRAYCW-YPMHNXCESA-N 0 0 392.880 2.385 10 0 GEAERN CC(=O)c1cc(S(=O)(=O)N[C@H]2CCCn3ncnc32)ccc1Br ZINC000180394290 532270898 /nfs/dbraw/zinc/27/08/98/532270898.db2.gz OJHRJQNDUWDBOX-ZDUSSCGKSA-N 0 0 399.270 2.057 10 0 GEAERN Cc1c(Cl)cccc1NC(=O)CS(=O)(=O)Cc1nnc(C2CC2)n1C ZINC000180072850 532256451 /nfs/dbraw/zinc/25/64/51/532256451.db2.gz XYVGKFDSOQAGIE-UHFFFAOYSA-N 0 0 382.873 2.208 10 0 GEAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H]1N1CCOCC1 ZINC000180250944 532262626 /nfs/dbraw/zinc/26/26/26/532262626.db2.gz ZKIJBJYSQDESGT-IAQYHMDHSA-N 0 0 386.279 2.111 10 0 GEAERN COc1c(CNc2cc(Cl)ccc2OCCS(C)(=O)=O)c(C)nn1C ZINC000180883720 532284916 /nfs/dbraw/zinc/28/49/16/532284916.db2.gz KJZLVQSXIVZAAO-UHFFFAOYSA-N 0 0 387.889 2.426 10 0 GEAERN COc1cc(C(=O)N[C@@H]2c3cc(C)ccc3C[C@H]2C)sc1S(N)(=O)=O ZINC000181252761 532294406 /nfs/dbraw/zinc/29/44/06/532294406.db2.gz YYEMUXIGXAAYMD-BMIGLBTASA-N 0 0 380.491 2.376 10 0 GEAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)c2cc(C)c(Br)s2)C1 ZINC000150116214 532300260 /nfs/dbraw/zinc/30/02/60/532300260.db2.gz MGQUOWRKASIHTE-JTQLQIEISA-N 0 0 381.317 2.108 10 0 GEAERN O=C(NCC1CC1)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000183353250 532324169 /nfs/dbraw/zinc/32/41/69/532324169.db2.gz GYBRUXDCFWXQDO-MRXNPFEDSA-N 0 0 376.503 2.390 10 0 GEAERN CC(C)c1nnc(CS(=O)(=O)Cc2cc(Cl)c3c(c2)OCCO3)n1C ZINC000182368592 532312472 /nfs/dbraw/zinc/31/24/72/532312472.db2.gz KUIGJEHSCKARKA-UHFFFAOYSA-N 0 0 385.873 2.478 10 0 GEAERN CC[C@@H](O)CN1CCN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000182408561 532312968 /nfs/dbraw/zinc/31/29/68/532312968.db2.gz MMBKEEXXTFZQHS-OAHLLOKOSA-N 0 0 381.325 2.212 10 0 GEAERN Cc1cc(NC(=O)C(=O)N2CCC(c3cc[nH]n3)CC2)cnc1Br ZINC000182780131 532317357 /nfs/dbraw/zinc/31/73/57/532317357.db2.gz NRXDCPPNDLWEST-UHFFFAOYSA-N 0 0 392.257 2.220 10 0 GEAERN NC(=O)COCCNC(=O)[C@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000183227093 532322212 /nfs/dbraw/zinc/32/22/12/532322212.db2.gz WVUKDNMIUSSYJU-SWLSCSKDSA-N 0 0 375.252 2.079 10 0 GEAERN NC(=O)COCCNC(=O)[C@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000183227110 532322270 /nfs/dbraw/zinc/32/22/70/532322270.db2.gz WVUKDNMIUSSYJU-WFASDCNBSA-N 0 0 375.252 2.079 10 0 GEAERN O=C(c1cc2c(cc1Br)NC(=O)CO2)N1CCN2CCCC[C@H]2C1 ZINC000183303811 532323295 /nfs/dbraw/zinc/32/32/95/532323295.db2.gz QDYUKLUJAKXDOG-NSHDSACASA-N 0 0 394.269 2.090 10 0 GEAERN COCC(=O)NC1CN(C(=O)NC[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000185672146 532338412 /nfs/dbraw/zinc/33/84/12/532338412.db2.gz BJFNPUCYKNJQBM-IINYFYTJSA-N 0 0 386.279 2.253 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)c1cccc(Br)n1 ZINC000187256615 532343728 /nfs/dbraw/zinc/34/37/28/532343728.db2.gz LKRREPWDQACGLZ-LLVKDONJSA-N 0 0 390.303 2.011 10 0 GEAERN CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)[C@H]1CNC(=O)C1 ZINC000186296716 532340466 /nfs/dbraw/zinc/34/04/66/532340466.db2.gz QTRCDQNWXBPXCX-UKRRQHHQSA-N 0 0 383.286 2.039 10 0 GEAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000186663091 532341685 /nfs/dbraw/zinc/34/16/85/532341685.db2.gz UMWUSDZVZXONTN-AWEZNQCLSA-N 0 0 399.285 2.225 10 0 GEAERN O=C(NC1CN(C(=O)NCCCc2ccc(Br)cc2F)C1)C1CC1 ZINC000187137488 532343371 /nfs/dbraw/zinc/34/33/71/532343371.db2.gz VDBZDOLHWQEVHX-UHFFFAOYSA-N 0 0 398.276 2.441 10 0 GEAERN COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000184501577 532333184 /nfs/dbraw/zinc/33/31/84/532333184.db2.gz HLYOOHIFVFWYQD-WDMOLILDSA-N 0 0 386.217 2.297 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)NCc2cc(F)ccc2Br)CC1 ZINC000184921488 532335952 /nfs/dbraw/zinc/33/59/52/532335952.db2.gz OXIYVEOGEVLTQW-AWEZNQCLSA-N 0 0 388.281 2.186 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)NCc2ccc(F)cc2Br)CC1 ZINC000184944866 532336107 /nfs/dbraw/zinc/33/61/07/532336107.db2.gz MVYRJQMZAAGKFG-AWEZNQCLSA-N 0 0 388.281 2.186 10 0 GEAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3ccc(Cl)c(F)c3Cl)CCO2)[nH]1 ZINC000188062660 532346452 /nfs/dbraw/zinc/34/64/52/532346452.db2.gz HLLRJBSCYXWLLS-VIFPVBQESA-N 0 0 395.243 2.321 10 0 GEAERN COc1nc(C)c(Br)cc1C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000188169667 532347015 /nfs/dbraw/zinc/34/70/15/532347015.db2.gz RBBFUGOATNGCLY-LBPRGKRZSA-N 0 0 394.273 2.305 10 0 GEAERN C[C@@H](C(=O)NCCOCC(F)F)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000191373162 532360574 /nfs/dbraw/zinc/36/05/74/532360574.db2.gz PHFIZRMZNCKFHS-ZETCQYMHSA-N 0 0 395.189 2.376 10 0 GEAERN Cc1noc([C@@H]2COCCN2Cc2cnc3ccc(Br)cn23)n1 ZINC000188473183 532348475 /nfs/dbraw/zinc/34/84/75/532348475.db2.gz URHTZERPRYCZJO-ZDUSSCGKSA-N 0 0 378.230 2.362 10 0 GEAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000188694040 532349209 /nfs/dbraw/zinc/34/92/09/532349209.db2.gz KZMNWRQWGDVTQI-BZUAXINKSA-N 0 0 381.270 2.094 10 0 GEAERN O=C(NC1CN(C(=O)NCCOc2cccc(Br)c2)C1)C1CCC1 ZINC000188817448 532349697 /nfs/dbraw/zinc/34/96/97/532349697.db2.gz YWCYLNJVLVCSOA-UHFFFAOYSA-N 0 0 396.285 2.138 10 0 GEAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000188840841 532349718 /nfs/dbraw/zinc/34/97/18/532349718.db2.gz SMOQNWBWIRQTBL-GHMZBOCLSA-N 0 0 384.263 2.083 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc(Br)ncc1Cl)CC2 ZINC000188871840 532350054 /nfs/dbraw/zinc/35/00/54/532350054.db2.gz QMPQHXHFWNQHLC-MRVPVSSYSA-N 0 0 384.665 2.396 10 0 GEAERN COc1cc(Br)ccc1[C@@H](C)NC(=O)NC[C@H]1CN(C)CCO1 ZINC000189366767 532351882 /nfs/dbraw/zinc/35/18/82/532351882.db2.gz GJTIYPSHUDGNSB-YPMHNXCESA-N 0 0 386.290 2.149 10 0 GEAERN O=C(Cc1c[nH]c2cccc(Br)c12)N1CC(NC(=O)C2CC2)C1 ZINC000189363967 532351933 /nfs/dbraw/zinc/35/19/33/532351933.db2.gz UAHSBOCERYCRAW-UHFFFAOYSA-N 0 0 376.254 2.210 10 0 GEAERN CC(C)[C@H](NC(=O)C(=O)Nc1ccc(Br)c2ccccc12)C(N)=O ZINC000189549837 532352733 /nfs/dbraw/zinc/35/27/33/532352733.db2.gz BZRRBRLGTTYOPA-AWEZNQCLSA-N 0 0 392.253 2.167 10 0 GEAERN CC(=O)NC1CN(C(=O)NC[C@@H](C)Sc2ccc(Br)cc2)C1 ZINC000190061087 532354582 /nfs/dbraw/zinc/35/45/82/532354582.db2.gz AULACZFOJVTUAR-SNVBAGLBSA-N 0 0 386.315 2.460 10 0 GEAERN Cc1cc(I)cn(CCCNC(=O)C2CCCC2)c1=O ZINC000190118689 532354896 /nfs/dbraw/zinc/35/48/96/532354896.db2.gz JSQLDIAMWNQUIG-UHFFFAOYSA-N 0 0 388.249 2.458 10 0 GEAERN COC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(Br)c(C)cc1C ZINC000190342534 532355568 /nfs/dbraw/zinc/35/55/68/532355568.db2.gz LIQUWMOOIARVTG-CYBMUJFWSA-N 0 0 383.242 2.168 10 0 GEAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000190346138 532355632 /nfs/dbraw/zinc/35/56/32/532355632.db2.gz IDGQOCUUWCAEID-NSHDSACASA-N 0 0 378.734 2.461 10 0 GEAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C)c(Br)c(C)c2)C1 ZINC000190361557 532355675 /nfs/dbraw/zinc/35/56/75/532355675.db2.gz LRYXWCWIAXTXEO-CYBMUJFWSA-N 0 0 396.285 2.132 10 0 GEAERN CCCc1cnc(NC(=O)C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)s1 ZINC000190735866 532357725 /nfs/dbraw/zinc/35/77/25/532357725.db2.gz CGEJUVIHZSLHSB-JSGCOSHPSA-N 0 0 379.507 2.330 10 0 GEAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C[C@H](O)COc1cccc(Br)c1 ZINC000191180609 532359773 /nfs/dbraw/zinc/35/97/73/532359773.db2.gz HYVZVPXKURUDAT-UOJCXKCYSA-N 0 0 398.297 2.462 10 0 GEAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1nc(C2CC2)cs1 ZINC000187601771 532344983 /nfs/dbraw/zinc/34/49/83/532344983.db2.gz WLBWKKFWERWOJR-SECBINFHSA-N 0 0 376.463 2.086 10 0 GEAERN C[C@@H](O)CN1CCN(C(=O)c2cc(Br)c(F)cc2F)C[C@H]1C ZINC000192136088 532388728 /nfs/dbraw/zinc/38/87/28/532388728.db2.gz RFEYTEUAPBAQQB-NXEZZACHSA-N 0 0 377.229 2.254 10 0 GEAERN Cn1nc(Br)cc1C(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000192199978 532393845 /nfs/dbraw/zinc/39/38/45/532393845.db2.gz AKVGBKHJMJBGTR-CABZTGNLSA-N 0 0 386.196 2.409 10 0 GEAERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000192188331 532393880 /nfs/dbraw/zinc/39/38/80/532393880.db2.gz PZNUZIWSPJMNNH-SNVBAGLBSA-N 0 0 395.706 2.392 10 0 GEAERN CC[S@@](=O)c1ccccc1C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000192980211 532415427 /nfs/dbraw/zinc/41/54/27/532415427.db2.gz LQIRWKOAPQHZOD-OYLFLEFRSA-N 0 0 377.487 2.463 10 0 GEAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1C[C@H](c2ccccc2Cl)OCC1(C)C ZINC000193916189 532436349 /nfs/dbraw/zinc/43/63/49/532436349.db2.gz TZYBVPXDFAYKDK-IUODEOHRSA-N 0 0 388.917 2.298 10 0 GEAERN CC(C)NS(=O)(=O)CCNC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000194467032 532451503 /nfs/dbraw/zinc/45/15/03/532451503.db2.gz WXBHQONCVOZZEE-LLVKDONJSA-N 0 0 392.319 2.137 10 0 GEAERN O=C(N[C@H]1COc2ccccc21)c1sccc1S(=O)(=O)N1CCCC1 ZINC000194870909 532461210 /nfs/dbraw/zinc/46/12/10/532461210.db2.gz FWLVPDCCWZDZJT-ZDUSSCGKSA-N 0 0 378.475 2.396 10 0 GEAERN CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2cc(F)ccc2Br)C1 ZINC000246626596 532542611 /nfs/dbraw/zinc/54/26/11/532542611.db2.gz SMANHJHJIGTGQL-IINYFYTJSA-N 0 0 386.265 2.372 10 0 GEAERN CS(=O)(=O)Cc1nc(CN2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cs1 ZINC000246659094 532543405 /nfs/dbraw/zinc/54/34/05/532543405.db2.gz KPASFDZQPJWOPZ-DOMZBBRYSA-N 0 0 388.461 2.274 10 0 GEAERN C[C@@H](NC(=O)CCCN1C(=O)CN(C)C1=O)c1cccc(Br)c1 ZINC000248055628 532549925 /nfs/dbraw/zinc/54/99/25/532549925.db2.gz SETLCBAOQOPXBO-LLVKDONJSA-N 0 0 382.258 2.301 10 0 GEAERN C[C@H]1CCCN(S(=O)(=O)N(C)C[C@H](c2cccs2)N2CCOCC2)C1 ZINC000248358881 532551470 /nfs/dbraw/zinc/55/14/70/532551470.db2.gz RHPFEJGYMYJWOK-JKSUJKDBSA-N 0 0 387.571 2.030 10 0 GEAERN C[C@@H](NC(=O)Cn1nnc2ccccc2c1=O)c1cccc(Br)c1 ZINC000248375060 532551809 /nfs/dbraw/zinc/55/18/09/532551809.db2.gz AILLPLWLBMYUHS-LLVKDONJSA-N 0 0 387.237 2.431 10 0 GEAERN CCN1CCC[C@@H](NC(=O)N(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)C1 ZINC000249446081 532565828 /nfs/dbraw/zinc/56/58/28/532565828.db2.gz NITGXLAFIUDPKR-HIFRSBDPSA-N 0 0 385.917 2.294 10 0 GEAERN CC(C)c1nsc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)n1 ZINC000301576897 532754399 /nfs/dbraw/zinc/75/43/99/532754399.db2.gz MNUCEQZEFRKJNX-UHFFFAOYSA-N 0 0 388.465 2.451 10 0 GEAERN CCS[C@H]1CC[C@]1(O)CNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 ZINC000301491366 532752066 /nfs/dbraw/zinc/75/20/66/532752066.db2.gz NJLBWHCILIIHIU-STQMWFEESA-N 0 0 384.445 2.411 10 0 GEAERN CCc1cc(=O)n2nc(N3CCN([C@H](C)c4nccs4)CC3)sc2n1 ZINC000302182429 532768724 /nfs/dbraw/zinc/76/87/24/532768724.db2.gz FQLNXOFSOVTISO-LLVKDONJSA-N 0 0 376.511 2.053 10 0 GEAERN CNc1nc(N2CCN(c3cc(C4CC4)[nH]n3)CC2)ncc1Br ZINC000302570675 532771641 /nfs/dbraw/zinc/77/16/41/532771641.db2.gz YTGOMFAAJLGTBD-UHFFFAOYSA-N 0 0 378.278 2.208 10 0 GEAERN COC(=O)[C@H](CSCc1ccccc1)NC(=O)CNC(=O)c1ccccc1 ZINC000006384981 203827783 /nfs/dbraw/zinc/82/77/83/203827783.db2.gz FNOZNSDJVDDDGI-KRWDZBQOSA-N 0 0 386.473 2.008 10 0 GEAERN O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000002944269 203976194 /nfs/dbraw/zinc/97/61/94/203976194.db2.gz KODZGOREPPHOBM-UHFFFAOYSA-N 0 0 385.917 2.009 10 0 GEAERN COc1ccc2c(c1)[C@@H]1C[C@@](C)(NC(=O)[C@H]1S(=O)(=O)c1ccc(F)cc1)O2 ZINC000004315423 204037604 /nfs/dbraw/zinc/03/76/04/204037604.db2.gz GJKPWCBSLUIPLX-IEZWGBDMSA-N 0 0 391.420 2.389 10 0 GEAERN CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N1CCOCC1 ZINC000003872313 204021272 /nfs/dbraw/zinc/02/12/72/204021272.db2.gz HZTMGWSBSDLALI-UHFFFAOYSA-N 0 0 398.548 2.095 10 0 in-man GEAERN COc1ccc(C(=O)N(CCCO)[C@@H](C)C(=O)NC2CCCCC2)cc1OC ZINC000004161229 204030425 /nfs/dbraw/zinc/03/04/25/204030425.db2.gz MSCSBSWNQZNGHO-HNNXBMFYSA-N 0 0 392.496 2.366 10 0 GEAERN CCN1CCN(C(=O)c2ccc(CN3c4ccccc4OCC3=O)cc2)CC1 ZINC000004706452 204066339 /nfs/dbraw/zinc/06/63/39/204066339.db2.gz NAKAWZXXHUWOKG-UHFFFAOYSA-N 0 0 379.460 2.390 10 0 GEAERN CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)CN2CCC[C@H](C)C2)c1 ZINC000004863297 204082786 /nfs/dbraw/zinc/08/27/86/204082786.db2.gz ATAQZSMIADPWRT-AWEZNQCLSA-N 0 0 383.514 2.093 10 0 GEAERN C[C@H]1C[C@H](C)CN(C(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000004863411 204083252 /nfs/dbraw/zinc/08/32/52/204083252.db2.gz LKMXLEIZNICMIY-DIYXLRBJSA-N 0 0 392.521 2.225 10 0 GEAERN CCOC(=O)c1sc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)nc1C ZINC000005598507 204141433 /nfs/dbraw/zinc/14/14/33/204141433.db2.gz KUORDLYBOSOBCB-JTQLQIEISA-N 0 0 387.417 2.251 10 0 GEAERN CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC(c2ccccc2C)=NO1 ZINC000006872532 204217468 /nfs/dbraw/zinc/21/74/68/204217468.db2.gz TVPQGBIUSKGNDX-UXHICEINSA-N 0 0 379.460 2.352 10 0 GEAERN Cc1ccccc1C(=O)NC(=S)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000006547546 204182659 /nfs/dbraw/zinc/18/26/59/204182659.db2.gz LPTMHWDWXRCYRM-UHFFFAOYSA-N 0 0 377.491 2.372 10 0 GEAERN COc1cccc2c1cc1c(=O)n(CC(=O)NCc3ccccc3F)nc(C)n12 ZINC000006749784 204199501 /nfs/dbraw/zinc/19/95/01/204199501.db2.gz QERJYFFDKPIPMM-UHFFFAOYSA-N 0 0 394.406 2.422 10 0 GEAERN Cc1cc(NC(=O)COc2ccccc2C)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 ZINC000007422935 204240913 /nfs/dbraw/zinc/24/09/13/204240913.db2.gz LCDCRQNIXTUWII-UHFFFAOYSA-N 0 0 379.420 2.079 10 0 GEAERN O=C(CN1CCC2(CC1)N=C(c1cccc(F)c1)C(=O)N2)Nc1ccccc1 ZINC000009526890 204314400 /nfs/dbraw/zinc/31/44/00/204314400.db2.gz LHKYDBOFABQCKB-UHFFFAOYSA-N 0 0 380.423 2.175 10 0 GEAERN COC(=O)c1ccc(C(=O)OC)c(NC(=O)CCNC(=O)c2ccccc2)c1 ZINC000010463238 204336161 /nfs/dbraw/zinc/33/61/61/204336161.db2.gz CKXGCDWXHMTJRX-UHFFFAOYSA-N 0 0 384.388 2.018 10 0 GEAERN Cc1cc(C(F)(F)F)n2nc(C3CCN(S(=O)(=O)N(C)C)CC3)cc2n1 ZINC000012160514 204378325 /nfs/dbraw/zinc/37/83/25/204378325.db2.gz XPXUPBYMAIBWFX-UHFFFAOYSA-N 0 0 391.419 2.042 10 0 GEAERN O=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)N1CCNC(=O)C1 ZINC000012456564 204413266 /nfs/dbraw/zinc/41/32/66/204413266.db2.gz DMCRUPZMGHMHKG-UHFFFAOYSA-N 0 0 388.855 2.084 10 0 GEAERN COC(=O)[C@@H]1C[C@@H](NC(=O)c2cccc(OC)c2)CN1Cc1ccc(F)cc1 ZINC000015000162 204553119 /nfs/dbraw/zinc/55/31/19/204553119.db2.gz DHNLPNJHEVZREV-MJGOQNOKSA-N 0 0 386.423 2.380 10 0 GEAERN COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)[C@@H]1[C@H]2[C@H](O)C=C[C@@H]1O ZINC000018009163 204613881 /nfs/dbraw/zinc/61/38/81/204613881.db2.gz PRHREUALBBVUMW-ICSXSLOMSA-N 0 0 376.063 2.171 10 0 GEAERN CCC(=O)N1CCC([C@H](NC(=O)c2ccc(F)cc2)C(=O)N(CC)CC)CC1 ZINC000036148100 205007899 /nfs/dbraw/zinc/00/78/99/205007899.db2.gz ZSDVBQHBBBARAJ-IBGZPJMESA-N 0 0 391.487 2.441 10 0 GEAERN CCOC(=O)[C@H](C)n1cnc2c1c(=O)n(C(C)C)c(=O)n2-c1ccc(F)cc1 ZINC000037557667 205028960 /nfs/dbraw/zinc/02/89/60/205028960.db2.gz YFEXBBJJCDWWGF-LBPRGKRZSA-N 0 0 388.399 2.193 10 0 GEAERN CCCNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(OC)cc1 ZINC000039916480 205043973 /nfs/dbraw/zinc/04/39/73/205043973.db2.gz SQXZMVXJEUAZNP-LJQANCHMSA-N 0 0 388.489 2.337 10 0 GEAERN CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000062109367 205185269 /nfs/dbraw/zinc/18/52/69/205185269.db2.gz QOGZCANRRXXMEU-IBGZPJMESA-N 0 0 391.468 2.462 10 0 GEAERN CCCN(C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O)c1cccc(Cl)c1 ZINC000065030957 205207473 /nfs/dbraw/zinc/20/74/73/205207473.db2.gz UNUCPTBISNHDNP-UHFFFAOYSA-N 0 0 388.855 2.135 10 0 GEAERN Cc1ccccc1S(=O)(=O)N1CCN(CCc2cn(C)c3ncccc23)CC1 ZINC000065164743 205214952 /nfs/dbraw/zinc/21/49/52/205214952.db2.gz FOVCIRGDDNBZFO-UHFFFAOYSA-N 0 0 398.532 2.431 10 0 GEAERN O=C(CN1CCc2ccccc2[C@H]1C(=O)N1CCCCC1)NCc1ccccn1 ZINC000064611367 205192600 /nfs/dbraw/zinc/19/26/00/205192600.db2.gz SBYVSICINPQFPO-QFIPXVFZSA-N 0 0 392.503 2.310 10 0 GEAERN COCCN=C1Nc2ccccc2CN[C@@]12CCN(C(=O)Cc1cccs1)C2 ZINC000065265739 205224933 /nfs/dbraw/zinc/22/49/33/205224933.db2.gz XEOQTLGQHCBRKN-OAQYLSRUSA-N 0 0 398.532 2.331 10 0 GEAERN O=C(NCCc1cccnc1)[C@@H]1CCc2sc(C(=O)N3CCOCC3)cc2C1 ZINC000065272806 205225989 /nfs/dbraw/zinc/22/59/89/205225989.db2.gz TXPWCRKKJIRLLG-MRXNPFEDSA-N 0 0 399.516 2.079 10 0 GEAERN Cc1cccc(-c2c[nH]nc2C2CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC2)c1 ZINC000067446703 205247589 /nfs/dbraw/zinc/24/75/89/205247589.db2.gz YUCGUTYQMILTBY-CQSZACIVSA-N 0 0 390.509 2.029 10 0 GEAERN O=C(c1c[nH]nc1-c1ccccc1)N1CC(=O)N(CCc2ccccc2)C(=O)C1 ZINC000072328632 205326204 /nfs/dbraw/zinc/32/62/04/205326204.db2.gz IPMMDHGRIRESNJ-UHFFFAOYSA-N 0 0 388.427 2.130 10 0 GEAERN NC(=O)c1ccc([C@H]2CCCN2C(=O)CN2CCOc3ccccc3C2)s1 ZINC000082039669 205384847 /nfs/dbraw/zinc/38/48/47/205384847.db2.gz VEKXXTDAOYPOKI-OAHLLOKOSA-N 0 0 385.489 2.405 10 0 GEAERN CC(C)(C)OC(=O)N1CC[C@]2(C1)CNC(=O)CN2C(=O)OCc1ccccc1 ZINC000091302692 205412030 /nfs/dbraw/zinc/41/20/30/205412030.db2.gz ALYZEQUHIISTTO-HXUWFJFHSA-N 0 0 389.452 2.135 10 0 GEAERN CCCCCOc1ccc(/C=C\C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000096437794 205568114 /nfs/dbraw/zinc/56/81/14/205568114.db2.gz IKFLQIBWFAQDHL-FLIBITNWSA-N 0 0 380.510 2.373 10 0 GEAERN O=C(Nc1ccc(F)cc1)c1nn(-c2ccccn2)c2c1CS(=O)(=O)CC2 ZINC000041070516 205613728 /nfs/dbraw/zinc/61/37/28/205613728.db2.gz WHAVUHSXXDDUFB-UHFFFAOYSA-N 0 0 386.408 2.130 10 0 GEAERN CC1(C)O[C@@H]2[C@@H](CO)O[C@@H](n3ncc4c3nc(C(F)F)nc4C(F)F)[C@@H]2O1 ZINC000217012030 205936076 /nfs/dbraw/zinc/93/60/76/205936076.db2.gz IEXQUUKTJMFLFM-PSNDSNHDSA-N 0 0 392.309 2.111 10 0 GEAERN Cc1ccc(NC(=O)CSc2nnc(Cc3cccc(C)c3)c(=O)n2N)cc1 ZINC000027546438 206017787 /nfs/dbraw/zinc/01/77/87/206017787.db2.gz LTGMNXMCWGFBNE-UHFFFAOYSA-N 0 0 395.488 2.291 10 0 GEAERN Cc1ccc(NC(=O)CSc2nnc(Cc3ccc(F)cc3)c(=O)n2N)cc1 ZINC000027546449 206017875 /nfs/dbraw/zinc/01/78/75/206017875.db2.gz QBTRSVNITSCEFN-UHFFFAOYSA-N 0 0 399.451 2.121 10 0 GEAERN Cc1cccc(NC(=O)CSc2nnc(Cc3ccc(F)cc3)c(=O)n2N)c1 ZINC000027546537 206018215 /nfs/dbraw/zinc/01/82/15/206018215.db2.gz KPKATAUTDSPOLY-UHFFFAOYSA-N 0 0 399.451 2.121 10 0 GEAERN CCn1nc(C)c2c1nc(C)cc2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000032610987 206091538 /nfs/dbraw/zinc/09/15/38/206091538.db2.gz RAIAUZRSYURMOL-UHFFFAOYSA-N 0 0 381.436 2.259 10 0 GEAERN CS(=O)(=O)c1ccc(CN2CCN3C(=O)N(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000096269110 206121967 /nfs/dbraw/zinc/12/19/67/206121967.db2.gz ZMVZQCZBKIJQJQ-LJQANCHMSA-N 0 0 399.516 2.212 10 0 GEAERN O=C(NC[C@H]1CCCN(c2ncccn2)C1)[C@H]1CC(Cc2ccccc2)=NO1 ZINC000299757134 206184379 /nfs/dbraw/zinc/18/43/79/206184379.db2.gz NCFJBCZVYVKISE-IEBWSBKVSA-N 0 0 379.464 2.197 10 0 GEAERN COC(=O)Cc1nn(CC(=O)Nc2ccccc2Cl)c(=O)c2ccccc12 ZINC000040384864 206192954 /nfs/dbraw/zinc/19/29/54/206192954.db2.gz KHTMEHTZOGZBRC-UHFFFAOYSA-N 0 0 385.807 2.404 10 0 GEAERN OC[C@@H]1CCCN(Cc2nc3cc(Cl)ccc3c(N3CCOCC3)n2)C1 ZINC000299802215 206193337 /nfs/dbraw/zinc/19/33/37/206193337.db2.gz ZDXOMHGDHULPON-CQSZACIVSA-N 0 0 376.888 2.324 10 0 GEAERN CCCCC[C@H](O)/C=C/[C@@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)NCCO ZINC000098087642 206225606 /nfs/dbraw/zinc/22/56/06/206225606.db2.gz XCVCLIRZZCGEMU-RESFQTLFSA-N 0 0 397.556 2.067 10 0 GEAERN CCCCC[C@H](O)/C=C\[C@@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)NCCO ZINC000098092045 206226003 /nfs/dbraw/zinc/22/60/03/206226003.db2.gz GKKWUSPPIQURFM-ALGYQOQCSA-N 0 0 395.540 2.275 10 0 GEAERN Cc1nsc(C)c1C(=O)N1CCOC[C@@H]1c1ncn(CC(F)(F)F)n1 ZINC000293521596 532928348 /nfs/dbraw/zinc/92/83/48/532928348.db2.gz BBYLOLGLMOYSJH-SNVBAGLBSA-N 0 0 375.376 2.127 10 0 GEAERN O=C(Nc1cc(F)cc2c1NC(=O)CC2)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000096137682 136184172 /nfs/dbraw/zinc/18/41/72/136184172.db2.gz YDICDTLSUBCLSK-CQSZACIVSA-N 0 0 384.415 2.291 10 0 GEAERN CC(=O)N1CCC([C@H](NC(=O)c2ccc(C)cc2)C(=O)NCc2ccco2)CC1 ZINC000036212986 221847306 /nfs/dbraw/zinc/84/73/06/221847306.db2.gz FPBBZTDZNXPSML-FQEVSTJZSA-N 0 0 397.475 2.261 10 0 GEAERN Cc1cc(C)n(-c2nc(-c3ccccc3)cc(N3CC[NH+](CC(=O)[O-])CC3)n2)n1 ZINC000073685779 524497830 /nfs/dbraw/zinc/49/78/30/524497830.db2.gz WBYJBALMYMXLCT-UHFFFAOYSA-N 0 0 392.463 2.153 10 0 GEAERN COc1ccc([C@@H](C)n2c(=O)[nH]c3cc(OC)c(OC)cc3c2=O)cc1OC ZINC000073657962 525169638 /nfs/dbraw/zinc/16/96/38/525169638.db2.gz WNSNPECXAJDZDK-LLVKDONJSA-N 0 0 386.404 2.334 10 0 GEAERN Cc1ccc(S(=O)(=O)N2CCC(NC(=S)N3CCSCC3)CC2)cc1 ZINC000085344950 525523024 /nfs/dbraw/zinc/52/30/24/525523024.db2.gz BIYLSONOOQNJDD-UHFFFAOYSA-N 0 0 399.607 2.071 10 0 GEAERN CC(C)[NH+]1CCN([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)OCc3ccccc3)C2)CC1 ZINC000536957776 570470617 /nfs/dbraw/zinc/47/06/17/570470617.db2.gz FJIZNOKRRQTMLC-RTBURBONSA-N 0 0 389.496 2.124 10 0 GEAERN Cc1ccc2[nH]c([C@H](NC(=O)C[C@H]3C(=O)NCCN3C(C)C)C(C)C)nc2c1 ZINC000019641679 570536318 /nfs/dbraw/zinc/53/63/18/570536318.db2.gz BIXZSFOLKUYJHB-PKOBYXMFSA-N 0 0 385.512 2.284 10 0 GEAERN Cc1ccc(-c2ncc(C(=O)NC[C@@H]3CCCO3)c(N3CCN(C)CC3)n2)cc1 ZINC000035988892 570559300 /nfs/dbraw/zinc/55/93/00/570559300.db2.gz BIKVRDXPLHJPKX-SFHVURJKSA-N 0 0 395.507 2.113 10 0 GEAERN Cn1nc(-c2nc(-c3ccc(F)cc3)no2)c2c1CCN(C(=O)[C@@H]1CCCO1)C2 ZINC000096331464 570620218 /nfs/dbraw/zinc/62/02/18/570620218.db2.gz RGIPPMOCWCZUJM-INIZCTEOSA-N 0 0 397.410 2.340 10 0 GEAERN Cc1oc2ccn(Cc3cccc(F)c3)c(=O)c2c1C(=O)N1CCN(C)CC1 ZINC000096396485 570642194 /nfs/dbraw/zinc/64/21/94/570642194.db2.gz MMRLBUFGUFGXTI-UHFFFAOYSA-N 0 0 383.423 2.478 10 0 GEAERN COc1cccnc1-c1cnn(CC(=O)Nc2cc(-c3ccccn3)nn2C)c1 ZINC000048501605 570659350 /nfs/dbraw/zinc/65/93/50/570659350.db2.gz NPOHXXUSBTVXLL-UHFFFAOYSA-N 0 0 389.419 2.388 10 0 GEAERN O=C(NCc1[nH]nc2c1CCC2)[C@H]1CCC(=O)N(CCCc2ccccc2)C1 ZINC000012447558 570667372 /nfs/dbraw/zinc/66/73/72/570667372.db2.gz MYUPEQSJIQKAPA-KRWDZBQOSA-N 0 0 380.492 2.386 10 0 GEAERN CN(Cc1nccc(N)n1)[C@@H]1CCN(C(=O)Cc2ccc3ccccc3c2)C1 ZINC000275740116 570698889 /nfs/dbraw/zinc/69/88/89/570698889.db2.gz QAQUQXGZLJZAAK-LJQANCHMSA-N 0 0 375.476 2.487 10 0 GEAERN COc1cccc([C@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nnnn32)c1OC ZINC000013123632 570763206 /nfs/dbraw/zinc/76/32/06/570763206.db2.gz MIIGSQXKJRXBEY-INIZCTEOSA-N 0 0 393.407 2.013 10 0 GEAERN COC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1cc(OC)ccc1OC ZINC000027914289 570812235 /nfs/dbraw/zinc/81/22/35/570812235.db2.gz NNBSTSOTAPPBSO-UHFFFAOYSA-N 0 0 395.433 2.081 10 0 GEAERN COc1cccc(C(=O)N[C@@H](CCSC)C(=O)NCc2cscn2)c1 ZINC000033138889 570822825 /nfs/dbraw/zinc/82/28/25/570822825.db2.gz TUKQCWXONCKCEM-HNNXBMFYSA-N 0 0 379.507 2.320 10 0 GEAERN COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cccc2cc(C)cnc21 ZINC000129419641 570950864 /nfs/dbraw/zinc/95/08/64/570950864.db2.gz VZJPCIJBXMYNQA-CQSZACIVSA-N 0 0 387.465 2.095 10 0 GEAERN CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCc2ccccc2Br)[C@H](O)C1 ZINC000085348033 570975505 /nfs/dbraw/zinc/97/55/05/570975505.db2.gz ZFVJATAXXRKENM-TZMCWYRMSA-N 0 0 399.285 2.293 10 0 GEAERN COc1ccc(NC(=O)c2cccc3c2O[C@H](C)[C@H]3C)cc1S(N)(=O)=O ZINC000012741527 570986348 /nfs/dbraw/zinc/98/63/48/570986348.db2.gz ZPNMLPMVLITALY-GHMZBOCLSA-N 0 0 376.434 2.479 10 0 GEAERN Cc1ccc(-n2ncc(C(=O)NCCCN3CCOCC3)c2-n2cccc2)cc1 ZINC000015681324 571044914 /nfs/dbraw/zinc/04/49/14/571044914.db2.gz TVHAPMNYJBFMKF-UHFFFAOYSA-N 0 0 393.491 2.424 10 0 GEAERN CN(C)C(=O)N1CC[C@]2(O)CCN(Cc3cc4c(cc3Cl)OCO4)C[C@@H]2C1 ZINC000095378045 571065550 /nfs/dbraw/zinc/06/55/50/571065550.db2.gz JFAYZJKYZGHQLW-AUUYWEPGSA-N 0 0 395.887 2.009 10 0 GEAERN COc1ccc2c(c1)OC[C@]1(CO)CN(C(=O)c3noc4c3CCCC4)C[C@H]21 ZINC000095516948 571084281 /nfs/dbraw/zinc/08/42/81/571084281.db2.gz MJUNASAEVKLLCK-IIBYNOLFSA-N 0 0 384.432 2.173 10 0 GEAERN CCS(=O)(=O)N1CCC(NC(=O)N[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000026311230 642431634 /nfs/dbraw/zinc/43/16/34/642431634.db2.gz MAEUOXGVMMDUFB-LLVKDONJSA-N 0 0 375.441 2.139 10 0 GEAERN CNC(=O)c1ccc(Cl)c(NC(=O)c2ccc(CS(C)(=O)=O)cc2)c1 ZINC000046022891 642601036 /nfs/dbraw/zinc/60/10/36/642601036.db2.gz KYBKVCCTXPSXKY-UHFFFAOYSA-N 0 0 380.853 2.497 10 0 GEAERN COC(=O)C[C@H](NC(=O)NCc1ccnn1C)c1cccc(Br)c1 ZINC000054820425 642761807 /nfs/dbraw/zinc/76/18/07/642761807.db2.gz MQZDPCNLFXICKK-AWEZNQCLSA-N 0 0 395.257 2.286 10 0 GEAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)/C=C/c2cccc(Br)c2)C1 ZINC000066911747 642948762 /nfs/dbraw/zinc/94/87/62/642948762.db2.gz AHIAPZQICCYSTO-HEWZJLJBSA-N 0 0 387.299 2.350 10 0 GEAERN C[C@H]1C[C@@H]1NC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000069935887 643045354 /nfs/dbraw/zinc/04/53/54/643045354.db2.gz VIYFGIPDDGAXPC-WFASDCNBSA-N 0 0 396.285 2.090 10 0 GEAERN CC(=O)NCc1ccc(-c2csc(-c3ccc(S(N)(=O)=O)cc3)n2)o1 ZINC000072085531 643062619 /nfs/dbraw/zinc/06/26/19/643062619.db2.gz KMEMDSSONHDKQQ-UHFFFAOYSA-N 0 0 377.447 2.354 10 0 GEAERN O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCO[C@@H](c2nccs2)C1 ZINC000093912931 643082404 /nfs/dbraw/zinc/08/24/04/643082404.db2.gz IXHXOPNMCDCHNC-SNVBAGLBSA-N 0 0 384.870 2.435 10 0 GEAERN O=C(CSCc1ccc(Cl)cc1Cl)NC[C@H](O)CN1CCOCC1 ZINC000097727740 643098910 /nfs/dbraw/zinc/09/89/10/643098910.db2.gz HPQHNMSHICRTBM-AWEZNQCLSA-N 0 0 393.336 2.036 10 0 GEAERN C[C@@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)c1c(Cl)ccc(F)c1Cl ZINC000098035966 643100383 /nfs/dbraw/zinc/10/03/83/643100383.db2.gz HHWOMRRTVLKHQC-MRVPVSSYSA-N 0 0 388.230 2.303 10 0 GEAERN C[C@H](NS(=O)(=O)Cc1ccc(Cl)nc1)c1ccc(S(C)(=O)=O)cc1 ZINC000101569679 643108154 /nfs/dbraw/zinc/10/81/54/643108154.db2.gz NARMIAAPFJAWDU-NSHDSACASA-N 0 0 388.898 2.319 10 0 GEAERN CCOc1ccc(Br)cc1NC(=O)C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000102812755 643140729 /nfs/dbraw/zinc/14/07/29/643140729.db2.gz PPKMHPYGWZCNLU-QWRGUYRKSA-N 0 0 385.258 2.422 10 0 GEAERN CC(C)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 ZINC000103731273 643172314 /nfs/dbraw/zinc/17/23/14/643172314.db2.gz CIWNCSFUOIQILQ-SNVBAGLBSA-N 0 0 377.304 2.474 10 0 GEAERN COCCN1CCN([C@@H](C)C(=O)Nc2ccccc2Br)C[C@@H]1C ZINC000106108076 643223063 /nfs/dbraw/zinc/22/30/63/643223063.db2.gz 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/nfs/dbraw/zinc/29/85/64/643298564.db2.gz YUFYQAOOFMISED-UHFFFAOYSA-N 0 0 391.269 2.357 10 0 GEAERN Cn1cc(CN2CCCN(C(=O)Cc3cccc(Br)c3)CC2)cn1 ZINC000109659110 643299182 /nfs/dbraw/zinc/29/91/82/643299182.db2.gz YRHCBAOQHIZMJF-UHFFFAOYSA-N 0 0 391.313 2.460 10 0 GEAERN CC[C@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CCN1C[C@@H](C)O ZINC000110559909 643314036 /nfs/dbraw/zinc/31/40/36/643314036.db2.gz RJZLWPMRXJBRTR-OLZOCXBDSA-N 0 0 380.432 2.262 10 0 GEAERN Cc1ncc(CN2CCN(C(=O)c3cccc(C[S@](C)=O)c3)CC2)s1 ZINC000110944921 643323149 /nfs/dbraw/zinc/32/31/49/643323149.db2.gz JEGBYHOZMWPDJY-RUZDIDTESA-N 0 0 377.535 2.288 10 0 GEAERN C[C@H](Oc1ccccc1Br)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000112297840 643358623 /nfs/dbraw/zinc/35/86/23/643358623.db2.gz GWYYAQUGJIUHSG-KBPBESRZSA-N 0 0 394.269 2.341 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc(-c2cccnc2)cs1 ZINC000112882161 643375904 /nfs/dbraw/zinc/37/59/04/643375904.db2.gz RIVRTCKWRNGKSK-AWEZNQCLSA-N 0 0 380.495 2.348 10 0 GEAERN Cc1ncc(CN2CCN([C@H](C)C(=O)NCCc3cccs3)CC2)s1 ZINC000114719522 643424253 /nfs/dbraw/zinc/42/42/53/643424253.db2.gz ABNQOTKEYVIWLW-CQSZACIVSA-N 0 0 378.567 2.378 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccc(Br)cc1)CC2 ZINC000114961586 643429150 /nfs/dbraw/zinc/42/91/50/643429150.db2.gz TYGCYTJABSSFKH-ZDUSSCGKSA-N 0 0 378.274 2.417 10 0 GEAERN O=C(c1cc(I)c[nH]1)N1CCO[C@@H](c2nccs2)C1 ZINC000115378555 643437755 /nfs/dbraw/zinc/43/77/55/643437755.db2.gz PGWJOGSWACWBHI-SNVBAGLBSA-N 0 0 389.218 2.290 10 0 GEAERN O=C1NCCc2ccc(S(=O)(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)cc21 ZINC000116329172 643456992 /nfs/dbraw/zinc/45/69/92/643456992.db2.gz KEHGKMDKWWRCHZ-VXGBXAGGSA-N 0 0 376.400 2.372 10 0 GEAERN Cn1cc([C@@H]2CCN(Cc3nnnn3-c3ccccc3Br)C2)cn1 ZINC000116316878 643456995 /nfs/dbraw/zinc/45/69/95/643456995.db2.gz XSGAKBBFRDWWRJ-GFCCVEGCSA-N 0 0 388.273 2.148 10 0 GEAERN CN1CCO[C@@H](CNC(=O)NCCCc2ccc(Br)cc2F)C1 ZINC000116429764 643463407 /nfs/dbraw/zinc/46/34/07/643463407.db2.gz VALRHSVMYZRCME-AWEZNQCLSA-N 0 0 388.281 2.151 10 0 GEAERN Cc1nc(C)n(C[C@H]2CCCN(S(=O)(=O)c3cnc(Cl)c(C)c3)C2)n1 ZINC000117365998 643488838 /nfs/dbraw/zinc/48/88/38/643488838.db2.gz YHFPPVAYPVPWRE-AWEZNQCLSA-N 0 0 383.905 2.353 10 0 GEAERN COCCN1CCN(C(=O)NCc2cc(Br)cs2)C[C@H]1C ZINC000117480987 643491755 /nfs/dbraw/zinc/49/17/55/643491755.db2.gz QGXDEYQLQDRYIH-LLVKDONJSA-N 0 0 376.320 2.373 10 0 GEAERN Cc1cnn(CCNC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)c1 ZINC000117813733 643499310 /nfs/dbraw/zinc/49/93/10/643499310.db2.gz NBTBETWLPZZCKW-CYBMUJFWSA-N 0 0 391.269 2.123 10 0 GEAERN CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1ccccc1I ZINC000118788083 643522420 /nfs/dbraw/zinc/52/24/20/643522420.db2.gz VZWAUDYJLPKCKH-GFCCVEGCSA-N 0 0 387.221 2.376 10 0 GEAERN O=C(NCCNS(=O)(=O)c1cccs1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000119862060 643576049 /nfs/dbraw/zinc/57/60/49/643576049.db2.gz YHNGVFHNPFMYSF-MNOVXSKESA-N 0 0 399.460 2.447 10 0 GEAERN CCn1cc(NC(=O)C(=O)N[C@H](C)c2cccc(Br)c2)ccc1=O ZINC000119944098 643581062 /nfs/dbraw/zinc/58/10/62/643581062.db2.gz HZXZROQYKAAAKR-LLVKDONJSA-N 0 0 392.253 2.447 10 0 GEAERN C[C@H]1CCCN(c2cc(NCCNS(=O)(=O)c3cccs3)ncn2)C1 ZINC000119999428 643584814 /nfs/dbraw/zinc/58/48/14/643584814.db2.gz HPUBOPYTKIYRAQ-ZDUSSCGKSA-N 0 0 381.527 2.165 10 0 GEAERN COC(=O)[C@@H](O)C1CCN(C(=O)N[C@H](C)c2ccccc2Br)CC1 ZINC000120073786 643590321 /nfs/dbraw/zinc/59/03/21/643590321.db2.gz AADNFIGIBZXABA-ABAIWWIYSA-N 0 0 399.285 2.466 10 0 GEAERN CN1CCO[C@H](CNC(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000120466415 643609000 /nfs/dbraw/zinc/60/90/00/643609000.db2.gz XPSSEPFGXFBLLQ-UONOGXRCSA-N 0 0 388.295 2.487 10 0 GEAERN CCn1c(-c2ccc(Br)c(F)c2)nc2c1c(=O)[nH]c(=O)n2CC ZINC000121807785 643641901 /nfs/dbraw/zinc/64/19/01/643641901.db2.gz QTRHRRIFONTANF-UHFFFAOYSA-N 0 0 381.205 2.495 10 0 GEAERN C[C@H](NC(=O)CN(C)c1ncnc2nc[nH]c21)c1cccc(Br)c1 ZINC000125209439 643703741 /nfs/dbraw/zinc/70/37/41/643703741.db2.gz GKWILFBFCHYKIS-JTQLQIEISA-N 0 0 389.257 2.429 10 0 GEAERN Cc1cc(Cl)ncc1NC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000126483021 643732960 /nfs/dbraw/zinc/73/29/60/643732960.db2.gz POTJWIDMLIHVKY-JTQLQIEISA-N 0 0 378.841 2.109 10 0 GEAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1[nH]nc(C(C)C)c1Br ZINC000127168797 643761502 /nfs/dbraw/zinc/76/15/02/643761502.db2.gz JCNFZBGMSTYJFS-VIFPVBQESA-N 0 0 397.277 2.298 10 0 GEAERN O=C(c1cncc(I)c1)N1CCC[C@@H]1Cn1ccnc1 ZINC000127254986 643766416 /nfs/dbraw/zinc/76/64/16/643766416.db2.gz NQMZOVTXVVQLGO-CYBMUJFWSA-N 0 0 382.205 2.188 10 0 GEAERN COC(=O)[C@H]1CN(C(=O)c2csc(I)c2)C[C@@H]1C ZINC000128959302 643815963 /nfs/dbraw/zinc/81/59/63/643815963.db2.gz BRQRPZBDHFAIEZ-CBAPKCEASA-N 0 0 379.219 2.234 10 0 GEAERN CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000130602018 643844886 /nfs/dbraw/zinc/84/48/86/643844886.db2.gz GWJPSPBMTZNBKE-CYBMUJFWSA-N 0 0 378.274 2.244 10 0 GEAERN Brc1cc2c(c(CN3CCO[C@@H](Cn4cccn4)C3)c1)OCC2 ZINC000153875694 644009973 /nfs/dbraw/zinc/00/99/73/644009973.db2.gz TURRKBKORHBNFX-MRXNPFEDSA-N 0 0 378.270 2.482 10 0 GEAERN CCN1CCN(CC(=O)N[C@@H](C)c2c(Cl)ccc(F)c2Cl)C(=O)C1=O ZINC000154450538 644042103 /nfs/dbraw/zinc/04/21/03/644042103.db2.gz OXDSZMXBMUPWLJ-VIFPVBQESA-N 0 0 390.242 2.000 10 0 GEAERN CC(C)N1C[C@H](NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)[C@@H](C)C1 ZINC000155590087 644076628 /nfs/dbraw/zinc/07/66/28/644076628.db2.gz CMUMHBHZDRWJNU-FZMZJTMJSA-N 0 0 378.416 2.439 10 0 GEAERN O=C(Nc1ccc(Cl)cc1Br)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000156594472 644106017 /nfs/dbraw/zinc/10/60/17/644106017.db2.gz HGJFLTACGOTTJJ-NEPJUHHUSA-N 0 0 375.650 2.461 10 0 GEAERN CCN1CCC[C@@H](NS(=O)(=O)c2c3ccccc3sc2C(=O)OC)C1 ZINC000156690965 644112380 /nfs/dbraw/zinc/11/23/80/644112380.db2.gz ZDUBSMKCQGRXPF-GFCCVEGCSA-N 0 0 382.507 2.451 10 0 GEAERN CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H](CO)c2ccccc2)c1 ZINC000158441425 644145004 /nfs/dbraw/zinc/14/50/04/644145004.db2.gz FLZFPDIXNKIJCN-OAHLLOKOSA-N 0 0 382.869 2.054 10 0 GEAERN COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000158839288 644162085 /nfs/dbraw/zinc/16/20/85/644162085.db2.gz NCTSEWITPFBTGH-NSHDSACASA-N 0 0 383.857 2.038 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCOCc1ccc(Cl)cc1 ZINC000163010808 644244859 /nfs/dbraw/zinc/24/48/59/644244859.db2.gz DIPHAEBUQQKDOW-INIZCTEOSA-N 0 0 388.917 2.177 10 0 GEAERN CCCC(=O)N[C@@H]1CCCN(C(=O)c2cc(Br)c(C)[nH]c2=O)C1 ZINC000164210617 644260385 /nfs/dbraw/zinc/26/03/85/644260385.db2.gz VDYFQHHUOYBEGQ-LLVKDONJSA-N 0 0 384.274 2.379 10 0 GEAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000166894321 644278673 /nfs/dbraw/zinc/27/86/73/644278673.db2.gz BMFOIAKISFUCQC-LLVKDONJSA-N 0 0 377.750 2.034 10 0 GEAERN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCOC[C@@H]1CO ZINC000168472037 644280856 /nfs/dbraw/zinc/28/08/56/644280856.db2.gz LSACJYJSTZMRAG-ONGXEEELSA-N 0 0 378.650 2.090 10 0 GEAERN CN1CCO[C@@H](CNC(=O)c2ccc(I)cc2Cl)C1 ZINC000171100383 644309166 /nfs/dbraw/zinc/30/91/66/644309166.db2.gz LKCXQLOVJPLAKF-JTQLQIEISA-N 0 0 394.640 2.005 10 0 GEAERN Cc1csc([C@@H]2CN(c3ncnc4c3c(Br)nn4C)CCO2)n1 ZINC000171131929 644313098 /nfs/dbraw/zinc/31/30/98/644313098.db2.gz SUQNRNJDUMPTAT-VIFPVBQESA-N 0 0 395.286 2.469 10 0 GEAERN COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000171432493 644322046 /nfs/dbraw/zinc/32/20/46/644322046.db2.gz MFKKMEMPOHKTDM-CQSZACIVSA-N 0 0 383.857 2.386 10 0 GEAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2I)CCS1 ZINC000171471514 644324448 /nfs/dbraw/zinc/32/44/48/644324448.db2.gz VBLIXSZIMAVBJR-SECBINFHSA-N 0 0 390.246 2.194 10 0 GEAERN Cc1ccc(NC(=O)[C@H](C)N2CC[C@H](N3CCOCC3)C2)c(Br)c1 ZINC000172806394 644344706 /nfs/dbraw/zinc/34/47/06/644344706.db2.gz ZCFZUSVQWCQPFA-GJZGRUSLSA-N 0 0 396.329 2.491 10 0 GEAERN C[C@H](C(=O)Nc1cccc(Br)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000172806407 644344997 /nfs/dbraw/zinc/34/49/97/644344997.db2.gz JCBXIPCYEAAIJH-CJNGLKHVSA-N 0 0 382.302 2.183 10 0 GEAERN CCc1nnc([C@@H]2CN(C(=O)Cc3ccc(F)c(Br)c3)CCO2)[nH]1 ZINC000173095216 644351154 /nfs/dbraw/zinc/35/11/54/644351154.db2.gz JMFJSKLMIKRHFI-ZDUSSCGKSA-N 0 0 397.248 2.411 10 0 GEAERN C[C@H](OC(=O)Cn1cnc2ccc(Br)cc2c1=O)[C@H]1CCOC1 ZINC000175263496 644387883 /nfs/dbraw/zinc/38/78/83/644387883.db2.gz NEORBIRMJIRMHU-QWRGUYRKSA-N 0 0 381.226 2.127 10 0 GEAERN C[C@@H](OC(=O)Cn1cnc2ccc(Br)cc2c1=O)[C@H]1CCOC1 ZINC000175263518 644387933 /nfs/dbraw/zinc/38/79/33/644387933.db2.gz NEORBIRMJIRMHU-MNOVXSKESA-N 0 0 381.226 2.127 10 0 GEAERN C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)c1ccccc1Br ZINC000177595368 644420024 /nfs/dbraw/zinc/42/00/24/644420024.db2.gz DSHVSAVGMHLAAT-GHMZBOCLSA-N 0 0 377.242 2.403 10 0 GEAERN O=C(Nc1ccc(Cl)cc1Cl)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000177652947 644422873 /nfs/dbraw/zinc/42/28/73/644422873.db2.gz MRMXLDKNMLMXPG-GFCCVEGCSA-N 0 0 383.235 2.056 10 0 GEAERN O=C(Nc1cc(Cl)cc(Cl)c1)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000177650758 644422926 /nfs/dbraw/zinc/42/29/26/644422926.db2.gz FFUVWSALMSJBRC-CQSZACIVSA-N 0 0 383.235 2.056 10 0 GEAERN CNC(=O)[C@H](NS(=O)(=O)/C=C/c1ccc(Br)cc1)C(C)C ZINC000178925852 644444516 /nfs/dbraw/zinc/44/45/16/644444516.db2.gz XILKIIWRDFSPTE-MMQHEFTJSA-N 0 0 375.288 2.110 10 0 GEAERN O=C(N[C@H]1CCCC[C@@H]1CO)c1cccn2c(I)cnc12 ZINC000179240107 644454500 /nfs/dbraw/zinc/45/45/00/644454500.db2.gz UVCJEOQUXJAPJE-PWSUYJOCSA-N 0 0 399.232 2.220 10 0 GEAERN CCCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)N[C@H]1C[C@H]1C ZINC000180196532 644494326 /nfs/dbraw/zinc/49/43/26/644494326.db2.gz MWDDKMDZWVNKHS-RNCFNFMXSA-N 0 0 383.242 2.479 10 0 GEAERN CCOCCN1CCN(C(=O)c2ccc(OC)c(Br)n2)C[C@H]1C ZINC000183156038 644982040 /nfs/dbraw/zinc/98/20/40/644982040.db2.gz BNFAZTUAVDRUFS-GFCCVEGCSA-N 0 0 386.290 2.036 10 0 GEAERN COCCNC(=O)CNC(=O)[C@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000184772964 645026184 /nfs/dbraw/zinc/02/61/84/645026184.db2.gz OCKHWTBBBUOMJQ-XJKSGUPXSA-N 0 0 389.279 2.340 10 0 GEAERN O=C(CN[C@@H](c1ccc(Br)cc1)c1cncnc1)NCC1CC1 ZINC000186387220 645066542 /nfs/dbraw/zinc/06/65/42/645066542.db2.gz WDQDERTTYBRNKW-KRWDZBQOSA-N 0 0 375.270 2.444 10 0 GEAERN O=C(NC1CN(S(=O)(=O)c2ccc(Br)c(Cl)c2)C1)C1CC1 ZINC000187920894 645099977 /nfs/dbraw/zinc/09/99/77/645099977.db2.gz OCIWHKBRTFPWQW-UHFFFAOYSA-N 0 0 393.690 2.002 10 0 GEAERN Cc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000188111880 645108374 /nfs/dbraw/zinc/10/83/74/645108374.db2.gz GGFONKYDOUGIFD-CQSZACIVSA-N 0 0 392.257 2.151 10 0 GEAERN O=C(NC1CN(C(=O)NCCNc2ncc(Cl)cc2Cl)C1)C1CCC1 ZINC000188801819 645126596 /nfs/dbraw/zinc/12/65/96/645126596.db2.gz XUINJMYFEGJTTA-UHFFFAOYSA-N 0 0 386.283 2.110 10 0 GEAERN CC(C)[C@H](NC(=O)C(=O)Nc1ccc2cc(Br)ccc2c1)C(N)=O ZINC000189548969 645138340 /nfs/dbraw/zinc/13/83/40/645138340.db2.gz JADCHZOWZOLYHO-AWEZNQCLSA-N 0 0 392.253 2.167 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)c2ccc(C)nc2Cl)C[C@H]1CC ZINC000189627421 645139241 /nfs/dbraw/zinc/13/92/41/645139241.db2.gz VGFRMYKESHDXEV-CQSZACIVSA-N 0 0 375.922 2.165 10 0 GEAERN Cc1cc(NC(=O)C(=O)N[C@@H]2COc3ccccc32)ncc1Br ZINC000193137647 645245137 /nfs/dbraw/zinc/24/51/37/645245137.db2.gz KTONMTFCXNMOFA-GFCCVEGCSA-N 0 0 376.210 2.341 10 0 GEAERN CCc1noc([C@H](C)N2CCN(C(=O)c3ncccc3Br)CC2)n1 ZINC000193238366 645254154 /nfs/dbraw/zinc/25/41/54/645254154.db2.gz MWIABODCMDPFTL-NSHDSACASA-N 0 0 394.273 2.309 10 0 GEAERN Cc1nc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)ccc1Br ZINC000193576700 645286004 /nfs/dbraw/zinc/28/60/04/645286004.db2.gz RALJXIQFALNJDP-SJCJKPOMSA-N 0 0 396.285 2.245 10 0 GEAERN C[C@@H](NC(=O)c1ccc(Br)c(S(C)(=O)=O)c1)[C@H]1CCCO1 ZINC000194628303 645338226 /nfs/dbraw/zinc/33/82/26/645338226.db2.gz SROYABCNGWNFHA-BXKDBHETSA-N 0 0 376.272 2.150 10 0 GEAERN O=C(N[C@@H]1COc2ccccc21)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000194642556 645339661 /nfs/dbraw/zinc/33/96/61/645339661.db2.gz PQIKZKGJFQUQLR-KGLIPLIRSA-N 0 0 378.475 2.151 10 0 GEAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccc(Br)c(F)c1 ZINC000195276524 645368376 /nfs/dbraw/zinc/36/83/76/645368376.db2.gz RDMQMRNAJNBDKM-OAHLLOKOSA-N 0 0 394.244 2.484 10 0 GEAERN COC(=O)[C@@H]1CN(C(=O)c2cccc(C)c2I)C[C@@H]1C ZINC000228300332 645395638 /nfs/dbraw/zinc/39/56/38/645395638.db2.gz DQPJXUYILGQCJW-CMPLNLGQSA-N 0 0 387.217 2.481 10 0 GEAERN O=C(c1ccc(I)c(O)c1)N1CCC[C@H]1CCCO ZINC000230904145 645402971 /nfs/dbraw/zinc/40/29/71/645402971.db2.gz KCQAJHUEEVPQSR-NSHDSACASA-N 0 0 375.206 2.374 10 0 GEAERN O=C(c1cc(Br)sc1Br)N1CCOC[C@H]1CO ZINC000236515539 645411337 /nfs/dbraw/zinc/41/13/37/645411337.db2.gz CWKHWSLLTOHGQY-ZCFIWIBFSA-N 0 0 385.077 2.106 10 0 GEAERN C[C@H](N[C@@H](C)c1c(Cl)ccc(F)c1Cl)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000246031259 645472135 /nfs/dbraw/zinc/47/21/35/645472135.db2.gz LXFUXIBIDHXEJQ-GUBZILKMSA-N 0 0 397.299 2.475 10 0 GEAERN C[C@H]1CN(Cc2ccc(I)cc2)C[C@H]1N1CCOCC1 ZINC000246329646 645480020 /nfs/dbraw/zinc/48/00/20/645480020.db2.gz DQLUTVMWCKNJRM-XJKSGUPXSA-N 0 0 386.277 2.444 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)Oc1cccc(Cl)c1 ZINC000246584750 645485879 /nfs/dbraw/zinc/48/58/79/645485879.db2.gz AJDJVZFYWXKQKN-XJKSGUPXSA-N 0 0 388.917 2.428 10 0 GEAERN C[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)C[C@@H]1C ZINC000246607142 645487337 /nfs/dbraw/zinc/48/73/37/645487337.db2.gz BXCOILIZOBDVCX-MGBSGCIJSA-N 0 0 381.314 2.466 10 0 GEAERN COCCN1CCN(C(=O)[C@H](C)Oc2cccc(Br)c2)C[C@H]1C ZINC000246727969 645490497 /nfs/dbraw/zinc/49/04/97/645490497.db2.gz LZCOUQRWDRKWCM-KGLIPLIRSA-N 0 0 385.302 2.396 10 0 GEAERN Cc1c(Cl)cc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)cc1Cl ZINC000247111482 645504726 /nfs/dbraw/zinc/50/47/26/645504726.db2.gz RCEAFYMDWCISGY-QWRGUYRKSA-N 0 0 388.295 2.154 10 0 GEAERN Cc1nnc([C@@H]2CN(C[C@@H](O)COc3cc(Cl)ccc3Cl)CCO2)[nH]1 ZINC000247468616 645510127 /nfs/dbraw/zinc/51/01/27/645510127.db2.gz JASSEHJZOLAFSX-DOMZBBRYSA-N 0 0 387.267 2.233 10 0 GEAERN CC(C)[C@H](SC[C@H](O)c1ccccc1)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000248169315 645522676 /nfs/dbraw/zinc/52/26/76/645522676.db2.gz QXVXMQVWWNHADG-BQFCYCMXSA-N 0 0 385.551 2.171 10 0 GEAERN COc1ccc(Br)cc1S(=O)(=O)N1CCN2CCCC[C@H]2C1 ZINC000249760528 645560527 /nfs/dbraw/zinc/56/05/27/645560527.db2.gz MTERLUNDADNBJF-ZDUSSCGKSA-N 0 0 389.315 2.317 10 0 GEAERN COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Br)c(C)c2)C[C@H]1C ZINC000250956827 645564750 /nfs/dbraw/zinc/56/47/50/645564750.db2.gz MIHYIRXCUPNHHV-PWSUYJOCSA-N 0 0 376.272 2.187 10 0 GEAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)Cc2ccc(Br)cc2)C1 ZINC000262706166 645641625 /nfs/dbraw/zinc/64/16/25/645641625.db2.gz JQIFIMRTEVTEEQ-UHFFFAOYSA-N 0 0 395.297 2.435 10 0 GEAERN COc1cc(Cl)c(CN2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)cc1Cl ZINC000263485866 645666034 /nfs/dbraw/zinc/66/60/34/645666034.db2.gz HIVUSXZCSSEHJR-LBPRGKRZSA-N 0 0 377.268 2.219 10 0 GEAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NS(=O)(=O)c2ccc(Cl)s2)C1 ZINC000263476413 645666077 /nfs/dbraw/zinc/66/60/77/645666077.db2.gz JILAQSQFAAJKFV-UHFFFAOYSA-N 0 0 378.903 2.007 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N2CCc3ccc(Br)cc32)C1 ZINC000263479963 645666158 /nfs/dbraw/zinc/66/61/58/645666158.db2.gz NRHKJXROELOIDP-UHFFFAOYSA-N 0 0 396.285 2.459 10 0 GEAERN O=S(=O)(NC[C@H]1CCn2ccnc2C1)c1cc(Br)ccc1F ZINC000328627142 647311424 /nfs/dbraw/zinc/31/14/24/647311424.db2.gz MLEQMHZGYIJERS-JTQLQIEISA-N 0 0 388.262 2.326 10 0 GEAERN C[C@H]1CCN(C(=O)CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c2ccccc2S1 ZINC000329204855 647319255 /nfs/dbraw/zinc/31/92/55/647319255.db2.gz XROIYXBHAZNQLT-GRDNDAEWSA-N 0 0 380.535 2.023 10 0 GEAERN O=C(c1ccc(I)c(O)c1)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398670884 647900337 /nfs/dbraw/zinc/90/03/37/647900337.db2.gz DVUOWHBGOJWJNV-QJPTWQEYSA-N 0 0 387.217 2.230 10 0 GEAERN COC(=O)[C@@H]1CN(C(=O)c2cccc(F)c2I)C[C@@H]1C ZINC000721715276 651477244 /nfs/dbraw/zinc/47/72/44/651477244.db2.gz WJYCMKCUXUHSFK-WCBMZHEXSA-N 0 0 391.180 2.311 10 0 GEAERN CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2ccccc2Br)[C@H](O)C1 ZINC000702852558 653320854 /nfs/dbraw/zinc/32/08/54/653320854.db2.gz SOHJZESVTJEFFN-BXUZGUMPSA-N 0 0 399.285 2.407 10 0 GEAERN C[C@@H](C(N)=O)N(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000711188819 653323108 /nfs/dbraw/zinc/32/31/08/653323108.db2.gz YMBMUKINWSUJNJ-YFKPBYRVSA-N 0 0 390.086 2.250 10 0 GEAERN CCn1nccc1[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1ccnc(Cl)c1Cl ZINC000912529572 654758416 /nfs/dbraw/zinc/75/84/16/654758416.db2.gz MFNVNZVVKRJHBV-IINYFYTJSA-N 0 0 382.251 2.355 10 0 GEAERN CS(=O)(=O)Nc1cc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)ccc1Cl ZINC000151426547 531499918 /nfs/dbraw/zinc/49/99/18/531499918.db2.gz IDNVVIQNHYFRNG-DYVFJYSZSA-N 0 0 386.901 2.479 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1OCC(F)F ZINC000151815779 531519958 /nfs/dbraw/zinc/51/99/58/531519958.db2.gz LISQLLLYKZAFMF-CYBMUJFWSA-N 0 0 376.425 2.473 10 0 GEAERN Nc1nnc(CCCNC(=O)c2cccc(I)c2)s1 ZINC000020201659 531579265 /nfs/dbraw/zinc/57/92/65/531579265.db2.gz YIIADJJAFQNFDF-UHFFFAOYSA-N 0 0 388.234 2.088 10 0 GEAERN COc1cc(C(=O)N[C@H]2CCCc3cc(F)ccc32)sc1S(N)(=O)=O ZINC000153171366 531592075 /nfs/dbraw/zinc/59/20/75/531592075.db2.gz VVKXOHLGEWMQCX-LBPRGKRZSA-N 0 0 384.454 2.351 10 0 GEAERN C[C@H]1CN(C(=O)Cc2cc(F)ccc2Br)C[C@@H]1N1CCOCC1 ZINC000153265250 531594572 /nfs/dbraw/zinc/59/45/72/531594572.db2.gz DVTMHLXEWBIIAE-LRDDRELGSA-N 0 0 385.277 2.310 10 0 GEAERN C[C@H](NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1cccc(Br)c1 ZINC000030464592 531637492 /nfs/dbraw/zinc/63/74/92/531637492.db2.gz AAVQURJLZDLNNW-VIFPVBQESA-N 0 0 388.221 2.470 10 0 GEAERN CN1CCO[C@H](CNC(=O)NCC2(c3ccccc3Br)CC2)C1 ZINC000154849093 531637721 /nfs/dbraw/zinc/63/77/21/531637721.db2.gz MOSHPPZTHRETOW-CYBMUJFWSA-N 0 0 382.302 2.111 10 0 GEAERN Cc1noc([C@H]2COCCN2C(=O)COc2ccc(Br)cc2)n1 ZINC000155409324 531683396 /nfs/dbraw/zinc/68/33/96/531683396.db2.gz LKZIMGFOELMNBR-CYBMUJFWSA-N 0 0 382.214 2.119 10 0 GEAERN CCn1cnnc1[C@H]1CCCN([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000155431851 531684577 /nfs/dbraw/zinc/68/45/77/531684577.db2.gz NDIBXZDODWYCHP-ZFWWWQNUSA-N 0 0 392.301 2.467 10 0 GEAERN Cn1cc(NC(=O)N2CCC(c3cc[nH]n3)CC2)cc(Br)c1=O ZINC000156247344 531725405 /nfs/dbraw/zinc/72/54/05/531725405.db2.gz BHXWNGSQTZJAKF-UHFFFAOYSA-N 0 0 380.246 2.282 10 0 GEAERN CCOCCN1CCN([C@H](C(N)=O)c2cccc(Br)c2)C[C@@H]1C ZINC000156999200 531728991 /nfs/dbraw/zinc/72/89/91/531728991.db2.gz CRYZSMYCPPZZKV-BBRMVZONSA-N 0 0 384.318 2.018 10 0 GEAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1cccc(C)c1Br)CC2 ZINC000156207035 531720485 /nfs/dbraw/zinc/72/04/85/531720485.db2.gz RDYVAJSLDYFWFP-LLVKDONJSA-N 0 0 399.314 2.205 10 0 GEAERN C[C@H]1CN(C(=O)Cc2ccc(Br)c(F)c2)C[C@@H]1N1CCOCC1 ZINC000157850944 531758093 /nfs/dbraw/zinc/75/80/93/531758093.db2.gz ZUBDSMIGDYJGOI-LRDDRELGSA-N 0 0 385.277 2.310 10 0 GEAERN CCN1C[C@H](C(=O)N[C@@H](CC(=O)OC)c2cccc(Br)c2)CC1=O ZINC000053420733 531762694 /nfs/dbraw/zinc/76/26/94/531762694.db2.gz CMBXGAYVOVQMNN-OCCSQVGLSA-N 0 0 397.269 2.038 10 0 GEAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccncc2Br)ncn1 ZINC000158011984 531762848 /nfs/dbraw/zinc/76/28/48/531762848.db2.gz RHQGBFYCSPNNEY-LLVKDONJSA-N 0 0 391.273 2.075 10 0 GEAERN CNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2cccc(Br)c2)co1 ZINC000162823562 531851891 /nfs/dbraw/zinc/85/18/91/531851891.db2.gz QDEQLHQQNYINCU-SECBINFHSA-N 0 0 387.255 2.441 10 0 GEAERN COC(=O)[C@@H]1C[C@@H]1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000170761747 531891343 /nfs/dbraw/zinc/89/13/43/531891343.db2.gz ASCGDRKCWILNNH-LSDHHAIUSA-N 0 0 396.281 2.423 10 0 GEAERN O=C(CN1CCC[C@H](n2cncn2)C1)Nc1ccc(Br)cc1F ZINC000171704502 531912293 /nfs/dbraw/zinc/91/22/93/531912293.db2.gz BARBJOITACIUBG-LBPRGKRZSA-N 0 0 382.237 2.455 10 0 GEAERN CCOc1ccc(Br)cc1S(=O)(=O)NC[C@@H]1CCC[C@@H]1O ZINC000091315710 531923885 /nfs/dbraw/zinc/92/38/85/531923885.db2.gz HAAGKWQNQVPGQJ-JQWIXIFHSA-N 0 0 378.288 2.287 10 0 GEAERN CS(=O)(=O)Cc1ccc(S(=O)(=O)NC2C3CC4CC(C3)CC2C4)cc1 ZINC000172060989 531933056 /nfs/dbraw/zinc/93/30/56/531933056.db2.gz XMFLFWTXFLOGBM-UHFFFAOYSA-N 0 0 383.535 2.334 10 0 GEAERN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000172071778 531933153 /nfs/dbraw/zinc/93/31/53/531933153.db2.gz NNMFETNHQVATJD-HNNXBMFYSA-N 0 0 384.479 2.056 10 0 GEAERN CC(=O)NC[C@H]1CN(C(=O)N[C@@H](C)c2cccc(Br)c2)CCO1 ZINC000172272487 531943109 /nfs/dbraw/zinc/94/31/09/531943109.db2.gz NKLSCWKLBLQWNT-NHYWBVRUSA-N 0 0 384.274 2.057 10 0 GEAERN O=C(Nc1nc2c(s1)COCC2)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000172298074 531945052 /nfs/dbraw/zinc/94/50/52/531945052.db2.gz JCGWNKNXZJBVSM-IUCAKERBSA-N 0 0 377.388 2.392 10 0 GEAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000114841217 531957919 /nfs/dbraw/zinc/95/79/19/531957919.db2.gz JCDCEVFPWUIIID-POYBYMJQSA-N 0 0 396.163 2.248 10 0 GEAERN Cc1cc(S(=O)(=O)N2CCC[C@@H](n3cncn3)C2)ccc1Br ZINC000114209445 531956148 /nfs/dbraw/zinc/95/61/48/531956148.db2.gz JKQPTJFADXTJQC-GFCCVEGCSA-N 0 0 385.287 2.375 10 0 GEAERN Cc1ccc(I)cc1C(=O)N[C@@H]1CCCn2ncnc21 ZINC000120240351 531977883 /nfs/dbraw/zinc/97/78/83/531977883.db2.gz UFWYQINSNRDLCN-GFCCVEGCSA-N 0 0 382.205 2.456 10 0 GEAERN Cc1nc(-c2ccc(S(=O)(=O)N[C@@H]3CCc4ncnn4C3)s2)cs1 ZINC000120589255 531983182 /nfs/dbraw/zinc/98/31/82/531983182.db2.gz XTPJOWYMXGZCGA-SNVBAGLBSA-N 0 0 381.508 2.065 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)CCc3cc(Br)cs3)CCO2)[nH]1 ZINC000173088827 531985977 /nfs/dbraw/zinc/98/59/77/531985977.db2.gz JLWPPPVWOZQDQU-LBPRGKRZSA-N 0 0 385.287 2.470 10 0 GEAERN COC(=O)[C@@H](c1cccc(Br)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000121058395 532009719 /nfs/dbraw/zinc/00/97/19/532009719.db2.gz NWIVMHOEWRJWMM-JKSUJKDBSA-N 0 0 383.286 2.070 10 0 GEAERN O=C(Nc1ncc(Cc2ccccc2Cl)s1)C(=O)N1CCC[C@H]1CO ZINC000121034054 532009867 /nfs/dbraw/zinc/00/98/67/532009867.db2.gz CNYKNUONOFWSAG-LBPRGKRZSA-N 0 0 379.869 2.309 10 0 GEAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(Br)cn2C)ncn1 ZINC000173414794 532009051 /nfs/dbraw/zinc/00/90/51/532009051.db2.gz XBPYBYSGRCSDPK-GFCCVEGCSA-N 0 0 393.289 2.018 10 0 GEAERN COC(=O)[C@H](c1cccc(Br)c1)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000121073208 532011566 /nfs/dbraw/zinc/01/15/66/532011566.db2.gz KLNOFHBLXYFFSV-KGLIPLIRSA-N 0 0 395.257 2.163 10 0 GEAERN C[C@H](Oc1cccc(Br)c1)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000173675680 532025485 /nfs/dbraw/zinc/02/54/85/532025485.db2.gz FVDORKMHISZILH-XJKSGUPXSA-N 0 0 394.269 2.341 10 0 GEAERN Cc1nnc([C@H]2CN(CC(=O)Nc3ccc(Br)c(C)c3)CCO2)[nH]1 ZINC000173713846 532027525 /nfs/dbraw/zinc/02/75/25/532027525.db2.gz QUTZQVAOTOSPOH-CQSZACIVSA-N 0 0 394.273 2.196 10 0 GEAERN Cc1c(Br)cccc1NC(=O)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000173697523 532028190 /nfs/dbraw/zinc/02/81/90/532028190.db2.gz SXFPSKOUQMZWIM-LBPRGKRZSA-N 0 0 392.257 2.151 10 0 GEAERN Cc1c(Br)cccc1NC(=O)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173697536 532028325 /nfs/dbraw/zinc/02/83/25/532028325.db2.gz SXFPSKOUQMZWIM-GFCCVEGCSA-N 0 0 392.257 2.151 10 0 GEAERN COCCN1CCN(C(=O)Cc2cc(Br)ccc2OC)C[C@H]1C ZINC000173805625 532033921 /nfs/dbraw/zinc/03/39/21/532033921.db2.gz PTFMIXPHQOQGLL-CYBMUJFWSA-N 0 0 385.302 2.179 10 0 GEAERN C[C@@H]1CN(C(=O)c2cc(Br)cnc2Cl)C[C@H]1N1CCOCC1 ZINC000173819722 532035029 /nfs/dbraw/zinc/03/50/29/532035029.db2.gz MZYSHAXCYWDDQT-ZWNOBZJWSA-N 0 0 388.693 2.290 10 0 GEAERN Cc1cc(Br)ccc1CNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173859728 532039191 /nfs/dbraw/zinc/03/91/91/532039191.db2.gz MGNBZUAIJSEGSC-MRXNPFEDSA-N 0 0 382.302 2.374 10 0 GEAERN CCc1nnc([C@@H]2CN(S(=O)(=O)c3cc(C)c(F)cc3Cl)CCO2)[nH]1 ZINC000122179993 532061658 /nfs/dbraw/zinc/06/16/58/532061658.db2.gz GFFTUXBGRNKXHY-LBPRGKRZSA-N 0 0 388.852 2.230 10 0 GEAERN COC(=O)C[C@H](NC(=O)c1c[nH]c(C)cc1=O)c1cccc(Br)c1 ZINC000174743927 532076252 /nfs/dbraw/zinc/07/62/52/532076252.db2.gz RQGCSXSRCSZTCG-AWEZNQCLSA-N 0 0 393.237 2.480 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000174840799 532080841 /nfs/dbraw/zinc/08/08/41/532080841.db2.gz KWVFMIXJLXNVJF-SNVBAGLBSA-N 0 0 399.460 2.025 10 0 GEAERN O=C(Nc1cc(F)c(Br)cc1F)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000123073483 532091984 /nfs/dbraw/zinc/09/19/84/532091984.db2.gz CSBCHBSPJDKNFV-PELKAZGASA-N 0 0 391.212 2.333 10 0 GEAERN C[C@@H]1CN([C@@H](CNS(=O)(=O)N2CCCCCC2)c2cccs2)CCO1 ZINC000175223236 532093372 /nfs/dbraw/zinc/09/33/72/532093372.db2.gz HWAJHKQAWVGKMD-CVEARBPZSA-N 0 0 387.571 2.220 10 0 GEAERN O=C1NCCc2ccc(S(=O)(=O)N3CCCC[C@H]3c3nccs3)cc21 ZINC000175387823 532101530 /nfs/dbraw/zinc/10/15/30/532101530.db2.gz RMPZAJMSDCLUQF-HNNXBMFYSA-N 0 0 377.491 2.345 10 0 GEAERN COCCn1ccc(NC(=O)C(=O)N[C@@H](C)c2cccc(Br)c2)n1 ZINC000123654708 532104676 /nfs/dbraw/zinc/10/46/76/532104676.db2.gz JSTDBPIWUKQUBJ-NSHDSACASA-N 0 0 395.257 2.108 10 0 GEAERN C[C@@H](NC(=O)c1ccc2ncc(I)n2c1)[C@H]1CCCO1 ZINC000175522687 532105890 /nfs/dbraw/zinc/10/58/90/532105890.db2.gz HZLFIXKXWGMOPY-MWLCHTKSSA-N 0 0 385.205 2.236 10 0 GEAERN O=C(NCCNC(=O)c1ccc(Br)cc1)N[C@H]1CCCC[C@@H]1CO ZINC000175990290 532121901 /nfs/dbraw/zinc/12/19/01/532121901.db2.gz PJJMBRPSGSYHOB-HIFRSBDPSA-N 0 0 398.301 2.029 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccc(Br)cc1C ZINC000176014157 532122613 /nfs/dbraw/zinc/12/26/13/532122613.db2.gz YCFYFWIPQAKOKL-ZDUSSCGKSA-N 0 0 392.257 2.247 10 0 GEAERN O=C(NCCNC(=O)c1cccc(Br)c1)N[C@@H]1CCCC[C@@H]1CO ZINC000176027933 532123036 /nfs/dbraw/zinc/12/30/36/532123036.db2.gz MACLORHRMOYSQT-UKRRQHHQSA-N 0 0 398.301 2.029 10 0 GEAERN C[C@H]1CN(C(=O)NCc2ccc(Br)cc2)C[C@@H]1N1CCOCC1 ZINC000175767535 532113615 /nfs/dbraw/zinc/11/36/15/532113615.db2.gz AIFOYWPTDDUJSG-BBRMVZONSA-N 0 0 382.302 2.311 10 0 GEAERN CCS(=O)(=O)NCCNC(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000176467274 532139154 /nfs/dbraw/zinc/13/91/54/532139154.db2.gz KYVOJZCANUXXPZ-ZDUSSCGKSA-N 0 0 388.559 2.095 10 0 GEAERN CNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](c3nc(C)cs3)C2)c(C)o1 ZINC000176194202 532129647 /nfs/dbraw/zinc/12/96/47/532129647.db2.gz ASMHSHUPUIAPPQ-LBPRGKRZSA-N 0 0 383.495 2.281 10 0 GEAERN CS(=O)(=O)N1CCC(CNC(=O)N2CCCC[C@H]2c2nccs2)CC1 ZINC000176291044 532133528 /nfs/dbraw/zinc/13/35/28/532133528.db2.gz SHPQZGCSWQKNFZ-AWEZNQCLSA-N 0 0 386.543 2.051 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000176288814 532133532 /nfs/dbraw/zinc/13/35/32/532133532.db2.gz YPBBMJVNDHXJOJ-LBPRGKRZSA-N 0 0 375.230 2.490 10 0 GEAERN COC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000127102781 532152423 /nfs/dbraw/zinc/15/24/23/532152423.db2.gz QKMZOYRIEZEKOD-LLVKDONJSA-N 0 0 393.241 2.055 10 0 GEAERN CCn1ccnc1CS(=O)(=O)CC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000176905465 532154517 /nfs/dbraw/zinc/15/45/17/532154517.db2.gz ITTFPFRJLLWPOC-UHFFFAOYSA-N 0 0 385.873 2.427 10 0 GEAERN CC(C)n1nnnc1C[S@](=O)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000176571726 532141420 /nfs/dbraw/zinc/14/14/20/532141420.db2.gz MJEDPXGORPUQDS-PAUBXPFVSA-N 0 0 383.905 2.422 10 0 GEAERN CNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)o1 ZINC000128743670 532168074 /nfs/dbraw/zinc/16/80/74/532168074.db2.gz HQPPKMXVNQVBLE-LBPRGKRZSA-N 0 0 376.356 2.091 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1sccc1Br ZINC000177002136 532158510 /nfs/dbraw/zinc/15/85/10/532158510.db2.gz NCWOOQACYIAUGJ-VIFPVBQESA-N 0 0 377.289 2.224 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(Br)ccc1F ZINC000177002103 532158898 /nfs/dbraw/zinc/15/88/98/532158898.db2.gz DKOVVSGMEBWTFF-NSHDSACASA-N 0 0 389.250 2.302 10 0 GEAERN COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)cc2C)C1 ZINC000177133931 532162453 /nfs/dbraw/zinc/16/24/53/532162453.db2.gz XIIGKACALZGNSJ-LLVKDONJSA-N 0 0 383.242 2.108 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000177717278 532180265 /nfs/dbraw/zinc/18/02/65/532180265.db2.gz XETJHPICRDIDLU-LBPRGKRZSA-N 0 0 393.241 2.385 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(I)cc1 ZINC000177726637 532180744 /nfs/dbraw/zinc/18/07/44/532180744.db2.gz DAAKDNZUQWPAOJ-LBPRGKRZSA-N 0 0 382.205 2.456 10 0 GEAERN Cc1ccc(I)c(C(=O)N[C@H]2CCCn3ncnc32)c1 ZINC000177606583 532176548 /nfs/dbraw/zinc/17/65/48/532176548.db2.gz TURBMDSERYCBPU-LBPRGKRZSA-N 0 0 382.205 2.456 10 0 GEAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)CCN1C[C@@H](C)O ZINC000177614373 532177141 /nfs/dbraw/zinc/17/71/41/532177141.db2.gz NSNXTSXTSNEZBX-DGCLKSJQSA-N 0 0 388.295 2.236 10 0 GEAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)CCN1C[C@@H](C)O ZINC000177611648 532177342 /nfs/dbraw/zinc/17/73/42/532177342.db2.gz DZGZMOQLWFQPIQ-VXGBXAGGSA-N 0 0 388.295 2.236 10 0 GEAERN COc1ccc(Br)c(CC(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000178107557 532193113 /nfs/dbraw/zinc/19/31/13/532193113.db2.gz XBXUOYHLGXFUQF-ZDUSSCGKSA-N 0 0 379.258 2.455 10 0 GEAERN CC(C)(C)N(CCS(C)(=O)=O)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000131581775 532199624 /nfs/dbraw/zinc/19/96/24/532199624.db2.gz IHJSOYKVSZPAMP-MRXNPFEDSA-N 0 0 377.934 2.363 10 0 GEAERN C[C@@H](NS(=O)(=O)c1ccc(Cl)nc1Cl)c1nnc2n1CCCC2 ZINC000178373708 532200282 /nfs/dbraw/zinc/20/02/82/532200282.db2.gz PQNASGODWUTRRV-MRVPVSSYSA-N 0 0 376.269 2.356 10 0 GEAERN Cc1cc(NC(=O)C(=O)N[C@H]2C[C@@H]2C)n(-c2cccc(Br)c2)n1 ZINC000132003971 532207861 /nfs/dbraw/zinc/20/78/61/532207861.db2.gz IMTIJLPKQQFIJF-ZANVPECISA-N 0 0 377.242 2.406 10 0 GEAERN CS(=O)(=O)N1CCC(CNC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000132133964 532210032 /nfs/dbraw/zinc/21/00/32/532210032.db2.gz BMWYDSGBYFSAHO-QWHCGFSZSA-N 0 0 385.452 2.078 10 0 GEAERN Cc1[nH]c(=O)c(C(=O)N[C@@H](C)c2nnc3n2CCCC3)cc1Br ZINC000132177599 532210874 /nfs/dbraw/zinc/21/08/74/532210874.db2.gz PBFBKKYMVGZOEY-VIFPVBQESA-N 0 0 380.246 2.277 10 0 GEAERN COC(=O)N[C@@H](C(=O)Nc1ccc(I)cn1)C(C)C ZINC000132555188 532218095 /nfs/dbraw/zinc/21/80/95/532218095.db2.gz MOCQPWFSTFCEDC-SNVBAGLBSA-N 0 0 377.182 2.005 10 0 GEAERN C[C@@H]1CN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)C[C@@H](C)O1 ZINC000178422395 532201894 /nfs/dbraw/zinc/20/18/94/532201894.db2.gz ZPFBOERRZQXYRT-NXEZZACHSA-N 0 0 385.233 2.113 10 0 GEAERN Cc1ccc(C(=O)N2CCCN(c3cccnn3)CC2)c(Br)n1 ZINC000131811582 532204573 /nfs/dbraw/zinc/20/45/73/532204573.db2.gz RWKFHZZSPQZJHV-UHFFFAOYSA-N 0 0 376.258 2.295 10 0 GEAERN COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1C ZINC000133245459 532229793 /nfs/dbraw/zinc/22/97/93/532229793.db2.gz QAPOADCVZICIQN-LBPRGKRZSA-N 0 0 376.272 2.474 10 0 GEAERN C[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C[C@H](C)O1 ZINC000179819765 532246354 /nfs/dbraw/zinc/24/63/54/532246354.db2.gz LSKAPEHNFALYBM-YUMQZZPRSA-N 0 0 377.185 2.302 10 0 GEAERN CCn1c(C)nnc1CS(=O)(=O)Cc1noc(-c2ccc(Cl)cc2)n1 ZINC000180051433 532255065 /nfs/dbraw/zinc/25/50/65/532255065.db2.gz LENAIWYYLKMIIS-UHFFFAOYSA-N 0 0 381.845 2.425 10 0 GEAERN COc1c(CN2CCN(c3ccc(Br)cn3)CC2)c(C)nn1C ZINC000180037462 532255247 /nfs/dbraw/zinc/25/52/47/532255247.db2.gz FAELJZILMZMHSF-UHFFFAOYSA-N 0 0 380.290 2.217 10 0 GEAERN C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)C[C@@H]1N1CCOCC1 ZINC000180252910 532263731 /nfs/dbraw/zinc/26/37/31/532263731.db2.gz VNWJTTRJGVWTRW-RISCZKNCSA-N 0 0 386.279 2.111 10 0 GEAERN CC(=O)c1cc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)ccc1Br ZINC000180286486 532265588 /nfs/dbraw/zinc/26/55/88/532265588.db2.gz ODCOEXZUQYGEKH-GFCCVEGCSA-N 0 0 387.299 2.120 10 0 GEAERN COc1cc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)sc1Br ZINC000136546811 532285623 /nfs/dbraw/zinc/28/56/23/532285623.db2.gz BADLXMMGOTVSQY-WDEREUQCSA-N 0 0 389.315 2.312 10 0 GEAERN CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](Cn3cncn3)C2)c1 ZINC000180976357 532287170 /nfs/dbraw/zinc/28/71/70/532287170.db2.gz HGWFUENTOZVBQR-CYBMUJFWSA-N 0 0 382.873 2.235 10 0 GEAERN COC(=O)[C@@H]1C[C@@H]1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000136850388 532287398 /nfs/dbraw/zinc/28/73/98/532287398.db2.gz YXCKYHHPVKYHPH-JKSUJKDBSA-N 0 0 395.297 2.339 10 0 GEAERN COc1cc(C(=O)N[C@H]2c3cc(C)ccc3C[C@H]2C)sc1S(N)(=O)=O ZINC000181252741 532294246 /nfs/dbraw/zinc/29/42/46/532294246.db2.gz YYEMUXIGXAAYMD-MEBBXXQBSA-N 0 0 380.491 2.376 10 0 GEAERN C[C@H](NCC(=O)N1CCC2(CC1)OCCO2)c1ccccc1Br ZINC000181571150 532302669 /nfs/dbraw/zinc/30/26/69/532302669.db2.gz MDXZQSLRCIEOBI-ZDUSSCGKSA-N 0 0 383.286 2.465 10 0 GEAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000182109653 532309700 /nfs/dbraw/zinc/30/97/00/532309700.db2.gz BSCAGDXCMXYDJH-JTQLQIEISA-N 0 0 375.376 2.068 10 0 GEAERN CC[C@H](O)CN1CCN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000182408545 532312953 /nfs/dbraw/zinc/31/29/53/532312953.db2.gz MMBKEEXXTFZQHS-HNNXBMFYSA-N 0 0 381.325 2.212 10 0 GEAERN COC(=O)c1cc(NC(=O)N[C@H]2CCCn3ncnc32)ccc1Br ZINC000182641978 532316133 /nfs/dbraw/zinc/31/61/33/532316133.db2.gz BMYXXAKYRNNPAI-LBPRGKRZSA-N 0 0 394.229 2.484 10 0 GEAERN COCCC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)CC(C)(C)C)C1 ZINC000004236162 291115581 /nfs/dbraw/zinc/11/55/81/291115581.db2.gz CSVKIOSHUCJEHJ-LSDHHAIUSA-N 0 0 389.496 2.205 10 0 GEAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000185118676 532336856 /nfs/dbraw/zinc/33/68/56/532336856.db2.gz FDTHDCDZFFRIKJ-NSHDSACASA-N 0 0 377.750 2.034 10 0 GEAERN COc1cc(Br)cc(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2O)c1 ZINC000185838866 532338918 /nfs/dbraw/zinc/33/89/18/532338918.db2.gz VWDIQFJQRKJXKP-HZMBPMFUSA-N 0 0 378.288 2.287 10 0 GEAERN C[C@H](NC(=O)NCC1CN(S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000185992488 532339419 /nfs/dbraw/zinc/33/94/19/532339419.db2.gz CIKXHKYLRAZXBU-VIFPVBQESA-N 0 0 380.297 2.245 10 0 GEAERN O=S(=O)(N[C@H](CO)c1ccccc1)c1cc(Br)cc2c1OCC2 ZINC000186038047 532339692 /nfs/dbraw/zinc/33/96/92/532339692.db2.gz PEAHDLFORKROAI-CQSZACIVSA-N 0 0 398.278 2.396 10 0 GEAERN Cc1cc(Br)c2c(c1)CN(C(=O)NC[C@@H]1CN(C)CCO1)CC2 ZINC000186566587 532341267 /nfs/dbraw/zinc/34/12/67/532341267.db2.gz PHBTZKANPOJRTH-CQSZACIVSA-N 0 0 382.302 2.156 10 0 GEAERN Cc1noc([C@@H]2COCCN2C(=O)c2n[nH]c3ccc(Br)cc32)n1 ZINC000186612774 532341515 /nfs/dbraw/zinc/34/15/15/532341515.db2.gz JNVQHQSBWYVPCO-LBPRGKRZSA-N 0 0 392.213 2.231 10 0 GEAERN COc1ccccc1S(=O)(=O)CCCN1CCO[C@@H](c2nccs2)C1 ZINC000184212650 532331503 /nfs/dbraw/zinc/33/15/03/532331503.db2.gz ZYWIHVIEZYLSEB-OAHLLOKOSA-N 0 0 382.507 2.389 10 0 GEAERN CC[C@@H](O)CN1CCN(C(=O)NCc2ccc(Br)s2)CC1 ZINC000184866167 532335181 /nfs/dbraw/zinc/33/51/81/532335181.db2.gz ZJKBDUDKRYLUGQ-LLVKDONJSA-N 0 0 376.320 2.109 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)Cc1ccc(F)cc1Br)CC2 ZINC000188164034 532347042 /nfs/dbraw/zinc/34/70/42/532347042.db2.gz CFZMSCYAUHOCBK-LBPRGKRZSA-N 0 0 381.249 2.416 10 0 GEAERN Cc1noc([C@H](C)N2CCN(C(=O)c3nc(Br)cs3)CC2)n1 ZINC000188860268 532349861 /nfs/dbraw/zinc/34/98/61/532349861.db2.gz FULNNIYMIVCTAM-QMMMGPOBSA-N 0 0 386.275 2.116 10 0 GEAERN CNS(=O)(=O)CCNC(=O)[C@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000188905385 532350104 /nfs/dbraw/zinc/35/01/04/532350104.db2.gz URMRLTNQWCKUCL-JSGCOSHPSA-N 0 0 395.308 2.127 10 0 GEAERN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCCNC(=O)[C@@H]1C ZINC000188914302 532350265 /nfs/dbraw/zinc/35/02/65/532350265.db2.gz VWKULONMSARBGF-LBPRGKRZSA-N 0 0 391.269 2.294 10 0 GEAERN COC(=O)[C@@H]1CCCCN1C(=O)Cc1ccc(I)cc1 ZINC000191360852 532360665 /nfs/dbraw/zinc/36/06/65/532360665.db2.gz NMSXQXLNPQAMDU-ZDUSSCGKSA-N 0 0 387.217 2.388 10 0 GEAERN Cc1noc([C@H]2COCCN2C(=O)c2cc(Br)ncc2Cl)n1 ZINC000188992677 532350467 /nfs/dbraw/zinc/35/04/67/532350467.db2.gz NFBRNMLOBODHDL-SNVBAGLBSA-N 0 0 387.621 2.403 10 0 GEAERN CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000189191449 532351306 /nfs/dbraw/zinc/35/13/06/532351306.db2.gz OSNFNIJQMUCFDI-CMPLNLGQSA-N 0 0 375.809 2.321 10 0 GEAERN CCn1cc([C@H]2CN(S(=O)(=O)c3cnc(Cl)c(Cl)c3)CCO2)cn1 ZINC000189221375 532351409 /nfs/dbraw/zinc/35/14/09/532351409.db2.gz RGXYORZJRSZSQB-CYBMUJFWSA-N 0 0 391.280 2.367 10 0 GEAERN O=C(NC1CN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)C1)C1CC1 ZINC000189502655 532352470 /nfs/dbraw/zinc/35/24/70/532352470.db2.gz YMZUJRMRAJXHDC-UHFFFAOYSA-N 0 0 389.253 2.190 10 0 GEAERN CCn1cc([C@@H]2CN([C@H](C(N)=O)c3ccc(Br)cc3)CCO2)cn1 ZINC000190795385 532357887 /nfs/dbraw/zinc/35/78/87/532357887.db2.gz LVOSUWGRMZVFNV-HOTGVXAUSA-N 0 0 393.285 2.265 10 0 GEAERN C[C@@H](CNC(=O)N1CCc2cc(Br)ccc2C1)N1CCOCC1 ZINC000190978574 532359000 /nfs/dbraw/zinc/35/90/00/532359000.db2.gz PXGSKHBTCQFNOL-ZDUSSCGKSA-N 0 0 382.302 2.238 10 0 GEAERN C[C@H](NC(=O)C(=O)Nc1cc(F)cc(F)c1Br)[C@@H]1CCCO1 ZINC000191128957 532359616 /nfs/dbraw/zinc/35/96/16/532359616.db2.gz MSDPJEVQNGKGGW-CPCISQLKSA-N 0 0 377.185 2.350 10 0 GEAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000191213931 532359899 /nfs/dbraw/zinc/35/98/99/532359899.db2.gz YTXCYYMTPVLRIF-PRHODGIISA-N 0 0 391.212 2.333 10 0 GEAERN Cc1noc([C@H]2COCCN2C[C@H](O)c2ccc(F)c(Br)c2)n1 ZINC000187468734 532344518 /nfs/dbraw/zinc/34/45/18/532344518.db2.gz UNGRGPDYYZSRKL-KGLIPLIRSA-N 0 0 386.221 2.387 10 0 GEAERN CCn1cc([C@@H]2CN(C(=O)Nc3nnc(C(F)(F)F)s3)CCO2)cn1 ZINC000191969949 532377451 /nfs/dbraw/zinc/37/74/51/532377451.db2.gz PHYUMIXXHPZGNJ-VIFPVBQESA-N 0 0 376.364 2.379 10 0 GEAERN COC(=O)[C@@]1(C)CCCN1C(=O)Cc1ccc(I)cc1 ZINC000191483742 532361109 /nfs/dbraw/zinc/36/11/09/532361109.db2.gz IWDLPGPULQPPQU-OAHLLOKOSA-N 0 0 387.217 2.388 10 0 GEAERN CNC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)c(Br)c1)C(C)C ZINC000192225807 532396394 /nfs/dbraw/zinc/39/63/94/532396394.db2.gz VSYCDVGAILWIKR-LLVKDONJSA-N 0 0 383.695 2.151 10 0 GEAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2ncccc2Br)ncn1 ZINC000193386686 532423880 /nfs/dbraw/zinc/42/38/80/532423880.db2.gz OLMUPZCBJGCMKQ-LLVKDONJSA-N 0 0 391.273 2.075 10 0 GEAERN Cc1nc(C[C@H]2CCCN(S(=O)(=O)c3cccc4nsnc43)C2)no1 ZINC000194775289 532455645 /nfs/dbraw/zinc/45/56/45/532455645.db2.gz PQVCMNUNPMKYHU-LLVKDONJSA-N 0 0 379.467 2.026 10 0 GEAERN O=C(N[C@H]1CCN2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2C1)c1ccncc1 ZINC000003840369 291117200 /nfs/dbraw/zinc/11/72/00/291117200.db2.gz ULLBABBMTMYCTN-HOCLYGCPSA-N 0 0 384.823 2.465 10 0 GEAERN C[C@H](NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F)[C@H]1CCCO1 ZINC000195235270 532473573 /nfs/dbraw/zinc/47/35/73/532473573.db2.gz KGIVEXAAQZIPLU-GZMMTYOYSA-N 0 0 394.262 2.289 10 0 GEAERN C[C@@H]1CN(Cc2cnc3ccc(Br)cn23)C[C@H]1N1CCOCC1 ZINC000245724903 532523616 /nfs/dbraw/zinc/52/36/16/532523616.db2.gz IPSAKISAIWPCCD-CZUORRHYSA-N 0 0 379.302 2.249 10 0 GEAERN COC(=O)[C@@H](c1cccc(Br)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000245910995 532525819 /nfs/dbraw/zinc/52/58/19/532525819.db2.gz MKWBIQZHTCOYGA-HZPDHXFCSA-N 0 0 394.269 2.261 10 0 GEAERN Cc1nnc([C@H]2CN([C@H](C)C(=O)Nc3cccc(Br)c3)CCO2)[nH]1 ZINC000246225922 532533183 /nfs/dbraw/zinc/53/31/83/532533183.db2.gz RDTBDRLSSGDGHL-QMTHXVAHSA-N 0 0 394.273 2.276 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)Cc2cc(Cl)ccc2F)C[C@H]1C ZINC000246225918 532533857 /nfs/dbraw/zinc/53/38/57/532533857.db2.gz HECQQJKIQBZKMU-CYBMUJFWSA-N 0 0 378.897 2.352 10 0 GEAERN Cc1noc(C)c1S(=O)(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000248369968 532550889 /nfs/dbraw/zinc/55/08/89/532550889.db2.gz WWGXRFLPGOBLKP-SMDDNHRTSA-N 0 0 385.511 2.093 10 0 GEAERN CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000248857982 532556894 /nfs/dbraw/zinc/55/68/94/532556894.db2.gz FACGGMBNTLJYKJ-QWRGUYRKSA-N 0 0 390.864 2.425 10 0 GEAERN C[C@@H](NC(=O)[C@@H]1CC(F)(F)CN1)c1cc2c(cc1Br)OCCO2 ZINC000263079760 532613751 /nfs/dbraw/zinc/61/37/51/532613751.db2.gz XLNIEWXVMWZTKM-KCJUWKMLSA-N 0 0 391.212 2.395 10 0 GEAERN O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@@H]1CC(F)(F)CN1 ZINC000263079352 532613764 /nfs/dbraw/zinc/61/37/64/532613764.db2.gz XJSKAHFCEMJCIE-RYUDHWBXSA-N 0 0 378.206 2.212 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000262710348 532597450 /nfs/dbraw/zinc/59/74/50/532597450.db2.gz LLBMOGGOTQLBHQ-UHFFFAOYSA-N 0 0 375.252 2.426 10 0 GEAERN C[C@H](Sc1ccccc1Cl)C(=O)N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262973451 532609199 /nfs/dbraw/zinc/60/91/99/532609199.db2.gz SGIRSBNRGLTEDJ-QWHCGFSZSA-N 0 0 386.901 2.064 10 0 GEAERN COc1ccc(C(=O)N2CCC[C@H]([N@H+](C)CC(=O)[O-])CC2)cc1Br ZINC000262999345 532611419 /nfs/dbraw/zinc/61/14/19/532611419.db2.gz WXKPVEBIXJSGAH-ZDUSSCGKSA-N 0 0 399.285 2.469 10 0 GEAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1 ZINC000263045118 532612478 /nfs/dbraw/zinc/61/24/78/532612478.db2.gz WCOUGMLZWDOQOF-CYBMUJFWSA-N 0 0 392.880 2.180 10 0 GEAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000263064795 532613170 /nfs/dbraw/zinc/61/31/70/532613170.db2.gz YSAXJKKZKSXBBZ-GFCCVEGCSA-N 0 0 378.853 2.039 10 0 GEAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(c2ccnc3c(Br)cccc23)CCO1 ZINC000263439309 532624341 /nfs/dbraw/zinc/62/43/41/532624341.db2.gz WKTDRTDHXBFSFI-LBPRGKRZSA-N 0 0 394.269 2.219 10 0 GEAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)Nc2cc(Cl)cc(Cl)c2)CCO1 ZINC000263516095 532628838 /nfs/dbraw/zinc/62/88/38/532628838.db2.gz ZXRDHAGYBVCHAS-ZDUSSCGKSA-N 0 0 376.240 2.243 10 0 GEAERN O=c1ccnc2sc(NCc3cn4cc(Br)ccc4n3)nn21 ZINC000301078051 532739021 /nfs/dbraw/zinc/73/90/21/532739021.db2.gz JIEDYYTZIOOPFJ-UHFFFAOYSA-N 0 0 377.227 2.173 10 0 GEAERN O=S1(=O)CCN(CCCNc2cnc3cc(Cl)c(Cl)cc3n2)CC1 ZINC000302162131 532767776 /nfs/dbraw/zinc/76/77/76/532767776.db2.gz KDLBBVPFLIXJGI-UHFFFAOYSA-N 0 0 389.308 2.469 10 0 GEAERN CCc1nn(C)c(CC)c1S(=O)(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000328611635 532793637 /nfs/dbraw/zinc/79/36/37/532793637.db2.gz MDTFNVWOVPBIHH-KBPBESRZSA-N 0 0 383.539 2.003 10 0 GEAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3Cl)CCO2)o1 ZINC000328609420 532794115 /nfs/dbraw/zinc/79/41/15/532794115.db2.gz DGWFZAXDWYVVGQ-NSHDSACASA-N 0 0 378.237 2.447 10 0 GEAERN CCc1nn(C)c(CC)c1S(=O)(=O)N1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000328611638 532794125 /nfs/dbraw/zinc/79/41/25/532794125.db2.gz MDTFNVWOVPBIHH-ZIAGYGMSSA-N 0 0 383.539 2.003 10 0 GEAERN Cc1noc([C@]2(O)CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)n1 ZINC000328612246 532794153 /nfs/dbraw/zinc/79/41/53/532794153.db2.gz ODNVEYOUKHXICC-AWEZNQCLSA-N 0 0 392.264 2.108 10 0 GEAERN CCn1c2nc(/C=C/c3ccc(OCOC)cc3)n(C)c2c(=O)n(CC)c1=O ZINC000033984782 203837592 /nfs/dbraw/zinc/83/75/92/203837592.db2.gz PKRUEBIYPBUOJK-FMIVXFBMSA-N 0 0 384.436 2.090 10 0 GEAERN O=S(=O)(c1cnccn1)C(Br)(Br)Br ZINC000034752661 203837672 /nfs/dbraw/zinc/83/76/72/203837672.db2.gz CVBIVJLRZHYCAH-UHFFFAOYSA-N 0 0 394.870 2.046 10 0 GEAERN O=C(Cn1cnc2c(nnn2Cc2ccccc2)c1=O)Nc1cccc(Cl)c1 ZINC000004266336 204035577 /nfs/dbraw/zinc/03/55/77/204035577.db2.gz JYLGVRBHJUYQNA-UHFFFAOYSA-N 0 0 394.822 2.328 10 0 GEAERN O=C(Cn1cc2c(n1)CCCC2)NCCCN1CCN(c2ccccc2F)CC1 ZINC000004917894 204090925 /nfs/dbraw/zinc/09/09/25/204090925.db2.gz YAPNXZABQCZMNS-UHFFFAOYSA-N 0 0 399.514 2.230 10 0 GEAERN COc1ccc(-c2nnc(NC(=O)CS(=O)(=O)c3ccc(F)cc3)o2)cc1 ZINC000004496427 204048355 /nfs/dbraw/zinc/04/83/55/204048355.db2.gz DRQZJVQNHHAKNH-UHFFFAOYSA-N 0 0 391.380 2.297 10 0 GEAERN NC(=O)c1nc(-c2ccc(F)c(F)c2)nc2c1[nH]c(=O)n2-c1ccccc1F ZINC000004518717 204050083 /nfs/dbraw/zinc/05/00/83/204050083.db2.gz QAEQJJRSYBTQPC-UHFFFAOYSA-N 0 0 385.305 2.292 10 0 GEAERN Cc1ccc(CNC(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)cc1 ZINC000004563731 204052806 /nfs/dbraw/zinc/05/28/06/204052806.db2.gz HCAHJCJOOCIXBC-UHFFFAOYSA-N 0 0 377.444 2.133 10 0 GEAERN CCS(=O)(=O)c1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000004585744 204055505 /nfs/dbraw/zinc/05/55/05/204055505.db2.gz PLAJRMXEICFLEL-UHFFFAOYSA-N 0 0 378.475 2.382 10 0 GEAERN Cc1cccc(NC(=O)CSc2nnc3[nH]c(=O)c(C(C)(C)C)nn32)c1C ZINC000005144287 204115114 /nfs/dbraw/zinc/11/51/14/204115114.db2.gz PUXLSVMUOOTGIQ-UHFFFAOYSA-N 0 0 386.481 2.458 10 0 GEAERN CCCN(C)C(=O)Cn1c2ccccc2c(=O)n(-c2cccc(OC)c2)c1=O ZINC000006801201 204208427 /nfs/dbraw/zinc/20/84/27/204208427.db2.gz XAVUARZMBXXWPJ-UHFFFAOYSA-N 0 0 381.432 2.029 10 0 GEAERN COc1ccccc1CNC(=O)Cn1nc(C)n2c(cc3ccccc32)c1=O ZINC000006751116 204199728 /nfs/dbraw/zinc/19/97/28/204199728.db2.gz UXGVDBDWYAXSJF-UHFFFAOYSA-N 0 0 376.416 2.283 10 0 GEAERN COc1ccc2c(cc3c(=O)n(CC(=O)NCc4ccccc4)nc(C)n32)c1 ZINC000006749842 204199896 /nfs/dbraw/zinc/19/98/96/204199896.db2.gz IOEOYQNSDWLSMR-UHFFFAOYSA-N 0 0 376.416 2.283 10 0 GEAERN COc1cccc(-n2c(=O)c3ccccc3n([C@H](C)C(=O)NC3CC3)c2=O)c1 ZINC000006766357 204201797 /nfs/dbraw/zinc/20/17/97/204201797.db2.gz SITCTAMBBCDZQF-CYBMUJFWSA-N 0 0 379.416 2.001 10 0 GEAERN O=C(C1=C(SC2=C(C(=O)c3ccccc3)NNC2)CNN1)c1ccccc1 ZINC000038318768 204244819 /nfs/dbraw/zinc/24/48/19/204244819.db2.gz FIJUJEYKLJWSON-HOTGVXAUSA-N 0 0 378.457 2.141 10 0 GEAERN Cc1csc(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2Cl)n1 ZINC000012023477 204367493 /nfs/dbraw/zinc/36/74/93/204367493.db2.gz YFKMLDGLRPIERV-UHFFFAOYSA-N 0 0 385.854 2.424 10 0 GEAERN C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(N(C)C)cc3)cc2)C1=O ZINC000012021336 204367693 /nfs/dbraw/zinc/36/76/93/204367693.db2.gz WRLZXPMHJQRSRS-CYBMUJFWSA-N 0 0 387.461 2.317 10 0 GEAERN Cc1cc(N2CCCCS2(=O)=O)cc(C)c1S(=O)(=O)N1CCCCC1 ZINC000012209474 204383922 /nfs/dbraw/zinc/38/39/22/204383922.db2.gz ODKMGMCHLRGWHL-UHFFFAOYSA-N 0 0 386.539 2.408 10 0 GEAERN O=C(Cn1c2c(c(=O)n(C3CCCCC3)c1=O)CC=C2)NCCc1ccccc1 ZINC000032603898 204915195 /nfs/dbraw/zinc/91/51/95/204915195.db2.gz CFEVGENRFRGXQN-UHFFFAOYSA-N 0 0 393.487 2.443 10 0 GEAERN O=C(/C=C\c1ccc(F)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000033311399 204959623 /nfs/dbraw/zinc/95/96/23/204959623.db2.gz ZEUYQFSEAZLNEL-KMKOMSMNSA-N 0 0 390.436 2.499 10 0 GEAERN O=C(N[C@H](C(=O)N1CCCC1)C1CCN(C(=O)C2CC2)CC1)c1ccccc1 ZINC000036157842 205007533 /nfs/dbraw/zinc/00/75/33/205007533.db2.gz WMDHGXUHOQMCLI-IBGZPJMESA-N 0 0 383.492 2.056 10 0 GEAERN CCN(Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@H](O)COC(C)(C)C ZINC000036158999 205008067 /nfs/dbraw/zinc/00/80/67/205008067.db2.gz NZJXKEJGFXGSCQ-LBPRGKRZSA-N 0 0 379.526 2.471 10 0 GEAERN COC[C@H](O)CN(CCC(C)C)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000036160017 205008159 /nfs/dbraw/zinc/00/81/59/205008159.db2.gz XCTFUFAYDPKSQY-CYBMUJFWSA-N 0 0 379.526 2.329 10 0 GEAERN COC(=O)c1cc(C[C@@H]2C[C@H](NS(=O)(=O)c3ccccc3)C2(C)C)no1 ZINC000072320778 205031324 /nfs/dbraw/zinc/03/13/24/205031324.db2.gz JPSRCAPSQOAQFI-WBMJQRKESA-N 0 0 378.450 2.397 10 0 GEAERN NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)c(Br)c1 ZINC000040378680 205062213 /nfs/dbraw/zinc/06/22/13/205062213.db2.gz KVGHLXAKCYPEFF-UHFFFAOYSA-N 0 0 375.269 2.339 10 0 GEAERN CCOC(=O)Cc1csc(NC(=O)CCc2nc3ccccc3[nH]c2=O)n1 ZINC000040839243 205073286 /nfs/dbraw/zinc/07/32/86/205073286.db2.gz DCTYATIYFOCXLH-UHFFFAOYSA-N 0 0 386.433 2.057 10 0 GEAERN CC(C)n1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCCCCC3)C2)c1 ZINC000064958161 205203349 /nfs/dbraw/zinc/20/33/49/205203349.db2.gz MJXDOWHUCRJDMC-MRXNPFEDSA-N 0 0 382.530 2.267 10 0 GEAERN CC1CCN(S(=O)(=O)c2nn(C)cc2C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000065152483 205214888 /nfs/dbraw/zinc/21/48/88/205214888.db2.gz VSXQTBYSRSHXTK-UHFFFAOYSA-N 0 0 398.435 2.371 10 0 GEAERN O=C(NCc1cccnc1)[C@@H]1CN(S(=O)(=O)C2CC2)CC12CCCCC2 ZINC000065259618 205224684 /nfs/dbraw/zinc/22/46/84/205224684.db2.gz IZLIBNAGGLUELQ-KRWDZBQOSA-N 0 0 377.510 2.072 10 0 GEAERN CC(=O)Nc1nsc(N2CCC[C@@H](C(=O)NCc3ccc(F)cc3)C2)n1 ZINC000065307710 205228681 /nfs/dbraw/zinc/22/86/81/205228681.db2.gz GPCYMJBFBFYMOE-CYBMUJFWSA-N 0 0 377.445 2.168 10 0 GEAERN Cc1cc2nn(CC(=O)N3CCCCC3)c(=O)n2c(Nc2ccccc2C)n1 ZINC000065307795 205228889 /nfs/dbraw/zinc/22/88/89/205228889.db2.gz VQEUWLDEXJGLDS-UHFFFAOYSA-N 0 0 380.452 2.264 10 0 GEAERN COc1ccccc1OCCNC(=O)C1CCN(c2nnc3ccccn32)CC1 ZINC000065312432 205229225 /nfs/dbraw/zinc/22/92/25/205229225.db2.gz HDMPJEFRSFWLSF-UHFFFAOYSA-N 0 0 395.463 2.150 10 0 GEAERN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)[C@@H]2CO[C@@H]3C=CC=C[C@@H]3O2)C1 ZINC000079440367 205382022 /nfs/dbraw/zinc/38/20/22/205382022.db2.gz CUVOOQGPOQKNIF-NCOADZHNSA-N 0 0 378.469 2.123 10 0 GEAERN CC(=O)Nc1ccc([S@](=O)c2ccc(S(N)(=O)=O)s2)cc1Cl ZINC000211822085 205926669 /nfs/dbraw/zinc/92/66/69/205926669.db2.gz LLCKVUQHHARJEU-NRFANRHFSA-N 0 0 378.884 2.174 10 0 GEAERN O=C(c1ccn(COc2ccc(F)cc2)n1)N1CCN(C(=O)c2ccco2)CC1 ZINC000027972349 206021574 /nfs/dbraw/zinc/02/15/74/206021574.db2.gz BVBZFKXWQSMRDP-UHFFFAOYSA-N 0 0 398.394 2.250 10 0 GEAERN Cc1nn(Cn2ccc(C(=O)NCc3ccccn3)n2)c(C)c1Br ZINC000027973477 206023366 /nfs/dbraw/zinc/02/33/66/206023366.db2.gz LUBOJLIWYAAUGY-UHFFFAOYSA-N 0 0 389.257 2.290 10 0 GEAERN O=C(NCCCN1CCOCC1)c1ccc(COc2ccc3c(c2)OCO3)o1 ZINC000028304351 206041711 /nfs/dbraw/zinc/04/17/11/206041711.db2.gz JLDPRFHBTJNMKE-UHFFFAOYSA-N 0 0 388.420 2.039 10 0 GEAERN CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc3c(c2)OCO3)C2(C1)CCCCC2 ZINC000096309568 206120961 /nfs/dbraw/zinc/12/09/61/206120961.db2.gz MHWWQSQITCRYRH-CQSZACIVSA-N 0 0 380.466 2.196 10 0 GEAERN CCN(CC)c1nc(N(C)C)nc(N2C(N)=C(c3ccccc3)C(=O)[C@@H]2C)n1 ZINC000138772260 206132699 /nfs/dbraw/zinc/13/26/99/206132699.db2.gz VQHKXIALYMGSIG-DZGCQCFKSA-N 0 0 381.484 2.322 10 0 GEAERN CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CC(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000253576014 206149507 /nfs/dbraw/zinc/14/95/07/206149507.db2.gz VHVMVRDQODKLFX-ZDUSSCGKSA-N 0 0 377.441 2.312 10 0 GEAERN CCCCC[C@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)NCCO ZINC000098092150 206226370 /nfs/dbraw/zinc/22/63/70/206226370.db2.gz HLQFDRCTTQBTCE-WERHQTGTSA-N 0 0 397.556 2.499 10 0 GEAERN C[C@H](COCc1ccccc1)NC(=O)c1cnn(C)c1I ZINC000293087309 532921969 /nfs/dbraw/zinc/92/19/69/532921969.db2.gz DHKFWNHHGMJQSO-LLVKDONJSA-N 0 0 399.232 2.360 10 0 GEAERN O=C([C@@H]1CCc2n[nH]nc2C1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000367474980 532925440 /nfs/dbraw/zinc/92/54/40/532925440.db2.gz ATFBBWKJOBMSNM-WBMJQRKESA-N 0 0 391.269 2.272 10 0 GEAERN COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC(Cc2ccc(F)cc2)=NO1 ZINC000012098278 221151164 /nfs/dbraw/zinc/15/11/64/221151164.db2.gz XCGXNRPRIVGCAS-RBUKOAKNSA-N 0 0 384.407 2.414 10 0 GEAERN CCCN1c2cc(C(=O)NCc3ccncc3)ccc2N2C(=O)CC[C@@H]2C1=O ZINC000065202236 136160016 /nfs/dbraw/zinc/16/00/16/136160016.db2.gz RZBADGPSYRKDMG-QGZVFWFLSA-N 0 0 378.432 2.264 10 0 GEAERN Cc1nc(-c2cccnc2N2CCC(C(=O)NCc3cccnc3)CC2)no1 ZINC000065227542 136160545 /nfs/dbraw/zinc/16/05/45/136160545.db2.gz SJBHUJYEXTUBOD-UHFFFAOYSA-N 0 0 378.436 2.368 10 0 GEAERN Cn1c(CNC(=O)CCc2ccnc(N3CCOCC3)c2)nc2ccccc21 ZINC000065269852 136162330 /nfs/dbraw/zinc/16/23/30/136162330.db2.gz NMFYRVDWQNLWQK-UHFFFAOYSA-N 0 0 379.464 2.054 10 0 GEAERN CCc1nnc2nc(N3CCN(C(=O)c4cccnc4SC)CC3)cc(C)n12 ZINC000065311825 136163241 /nfs/dbraw/zinc/16/32/41/136163241.db2.gz ZWZROCAPIFINFG-UHFFFAOYSA-N 0 0 397.508 2.074 10 0 GEAERN O=C(NCc1ccccc1C(F)(F)F)[C@H]1CCCN(c2cn[nH]c(=O)c2)C1 ZINC000065313484 136163366 /nfs/dbraw/zinc/16/33/66/136163366.db2.gz WXMOLIZLXWRSKC-ZDUSSCGKSA-N 0 0 380.370 2.322 10 0 GEAERN C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1CCN(c2ccccn2)CC1 ZINC000096400079 136187075 /nfs/dbraw/zinc/18/70/75/136187075.db2.gz VAARRODQUKJTIO-HNNXBMFYSA-N 0 0 377.448 2.030 10 0 GEAERN Cc1nc2c(c(C)n1)C[C@@H](Cn1ncc(N3CCc4ccccc4C3)cc1=O)O2 ZINC000020869069 136202797 /nfs/dbraw/zinc/20/27/97/136202797.db2.gz YZQGCQCQURKEHC-IBGZPJMESA-N 0 0 389.459 2.217 10 0 GEAERN COc1cc(C(=O)NCc2ccnc(N3CCCCC3)n2)cc(OC)c1OC ZINC000224205970 536496655 /nfs/dbraw/zinc/49/66/55/536496655.db2.gz CGILNCOTFCTNOY-UHFFFAOYSA-N 0 0 386.452 2.423 10 0 GEAERN COC(=O)c1nc(C(C)(C)NC(=O)OCc2ccccc2)nc(OC)c1O ZINC000035644577 570406198 /nfs/dbraw/zinc/40/61/98/570406198.db2.gz FCCMQMXYACFBJQ-UHFFFAOYSA-N 0 0 375.381 2.139 10 0 in-vitro GEAERN CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCC(N3CCNC3=O)CC2)ncn1 ZINC000275607430 570697191 /nfs/dbraw/zinc/69/71/91/570697191.db2.gz IKRDXMDBGZTYQN-LPHOPBHVSA-N 0 0 388.516 2.086 10 0 GEAERN O=C(NCCCN1CCCC1=O)c1cn2ccnc(-c3ccc(F)cc3)c2n1 ZINC000065274470 570776745 /nfs/dbraw/zinc/77/67/45/570776745.db2.gz HCHMZGRHRGKVEB-UHFFFAOYSA-N 0 0 381.411 2.278 10 0 GEAERN Cc1cc(-n2cncn2)ccc1C(=O)N1CCCC[C@H]1c1nnc(CN(C)C)o1 ZINC000583622109 570802291 /nfs/dbraw/zinc/80/22/91/570802291.db2.gz PBDWVQPWFVCIQP-KRWDZBQOSA-N 0 0 395.467 2.388 10 0 GEAERN Cc1oc(-c2n[nH]cc2C(=O)N2CCCC2)cc1S(=O)(=O)NCC(C)C ZINC000097096400 570892100 /nfs/dbraw/zinc/89/21/00/570892100.db2.gz AQJXRGIEUUDMPS-UHFFFAOYSA-N 0 0 380.470 2.148 10 0 GEAERN COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cccc2cc(C)cnc21 ZINC000129419819 570950699 /nfs/dbraw/zinc/95/06/99/570950699.db2.gz VZJPCIJBXMYNQA-AWEZNQCLSA-N 0 0 387.465 2.095 10 0 GEAERN C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1)C1CC1 ZINC000025594806 642425695 /nfs/dbraw/zinc/42/56/95/642425695.db2.gz YIGGYIMZBSBCHS-SMDDNHRTSA-N 0 0 386.901 2.326 10 0 GEAERN CC(=O)N[C@@H]1CCCN(C(=O)c2cccc(F)c2I)C1 ZINC000533526586 650761522 /nfs/dbraw/zinc/76/15/22/650761522.db2.gz TWELIAJDPUWTAX-SNVBAGLBSA-N 0 0 390.196 2.171 10 0 GEAERN C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000049674766 642670290 /nfs/dbraw/zinc/67/02/90/642670290.db2.gz OOCLDZUZMQRWJP-FZMZJTMJSA-N 0 0 390.299 2.048 10 0 GEAERN Cc1cc(NC(=O)CN(C)C[C@@H](O)COc2cccc(Br)c2)no1 ZINC000053944339 642745019 /nfs/dbraw/zinc/74/50/19/642745019.db2.gz XUGOHFBGWKWQQX-CYBMUJFWSA-N 0 0 398.257 2.056 10 0 GEAERN C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)o1)c1ccc(OC(F)(F)F)cc1 ZINC000056887017 642799052 /nfs/dbraw/zinc/79/90/52/642799052.db2.gz ITEICAZTOQAAOX-MRVPVSSYSA-N 0 0 378.328 2.317 10 0 GEAERN C[C@@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)c1ccc(F)c(Cl)c1 ZINC000057022142 642800359 /nfs/dbraw/zinc/80/03/59/642800359.db2.gz SREKHTGUXWFJGV-SECBINFHSA-N 0 0 392.861 2.166 10 0 GEAERN NC(=O)c1c(F)cc(Br)cc1NC[C@@H](CO)Cc1ccccn1 ZINC000092830649 643073756 /nfs/dbraw/zinc/07/37/56/643073756.db2.gz URURGFKHOOVPOW-JTQLQIEISA-N 0 0 382.233 2.345 10 0 GEAERN COC(=O)[C@H](NS(=O)(=O)c1c[nH]c2nccc(Cl)c21)c1ccccc1 ZINC000093910810 643081952 /nfs/dbraw/zinc/08/19/52/643081952.db2.gz NMAYMGOBGPOFRR-CQSZACIVSA-N 0 0 379.825 2.409 10 0 GEAERN COc1ccc(S(=O)(=O)NC[C@H]2CCCC[C@H]2O)cc1Br ZINC000096846098 643091071 /nfs/dbraw/zinc/09/10/71/643091071.db2.gz IPEKDNHGTMYHSN-ZWNOBZJWSA-N 0 0 378.288 2.287 10 0 GEAERN COc1ccc(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2O)cc1Br ZINC000096846091 643091115 /nfs/dbraw/zinc/09/11/15/643091115.db2.gz IPEKDNHGTMYHSN-GWCFXTLKSA-N 0 0 378.288 2.287 10 0 GEAERN COCc1c(Br)cccc1NC(=O)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000102083463 643122525 /nfs/dbraw/zinc/12/25/25/643122525.db2.gz YZCLGJSFQIPFMI-YGRLFVJLSA-N 0 0 385.258 2.218 10 0 GEAERN CCOc1ccc(Br)cc1NC(=O)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000102812754 643140851 /nfs/dbraw/zinc/14/08/51/643140851.db2.gz PPKMHPYGWZCNLU-GHMZBOCLSA-N 0 0 385.258 2.422 10 0 GEAERN CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000102812511 643140952 /nfs/dbraw/zinc/14/09/52/643140952.db2.gz FVRGEYJLGSNONO-ZWNOBZJWSA-N 0 0 385.258 2.470 10 0 GEAERN COC(=O)[C@@H]1CCCN(C(=O)c2ccc(I)c(F)c2)C1 ZINC000103788429 643173167 /nfs/dbraw/zinc/17/31/67/643173167.db2.gz HLLJRCCUERLDAD-SNVBAGLBSA-N 0 0 391.180 2.456 10 0 GEAERN CCN1CCC[C@H](NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)C1 ZINC000104737692 643189857 /nfs/dbraw/zinc/18/98/57/643189857.db2.gz PZNKOVYZXWGGSO-NSHDSACASA-N 0 0 377.869 2.200 10 0 GEAERN CCOCCN1CCN(CC(=O)Nc2ccc(Br)cc2)C[C@@H]1C ZINC000106112701 643223131 /nfs/dbraw/zinc/22/31/31/643223131.db2.gz MNUOQGFYGXOKIH-AWEZNQCLSA-N 0 0 384.318 2.430 10 0 GEAERN COCCN1CCN([C@@H](C)C(=O)Nc2cccc(Br)c2)C[C@@H]1C ZINC000106108798 643223338 /nfs/dbraw/zinc/22/33/38/643223338.db2.gz OPBZZCKPTXOWIB-KBPBESRZSA-N 0 0 384.318 2.429 10 0 GEAERN Cc1cnn(C[C@@H]2CN(CC(=O)Nc3ccc(Br)cc3)CCO2)c1 ZINC000106198832 643225599 /nfs/dbraw/zinc/22/55/99/643225599.db2.gz RDNFDXSDJYPASO-INIZCTEOSA-N 0 0 393.285 2.294 10 0 GEAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(Br)cc1 ZINC000107039482 643248079 /nfs/dbraw/zinc/24/80/79/643248079.db2.gz SAHNNQWQWMBTHW-HNNXBMFYSA-N 0 0 376.254 2.345 10 0 GEAERN O=C(c1sccc1S(=O)(=O)C(F)F)N1CCO[C@@H](c2nccs2)C1 ZINC000110878338 643321983 /nfs/dbraw/zinc/32/19/83/643321983.db2.gz AEHBLSKKGLIJNW-MRVPVSSYSA-N 0 0 394.446 2.415 10 0 GEAERN Cc1noc([C@@H](C)N2CCN(S(=O)(=O)c3ccc(F)cc3Cl)CC2)n1 ZINC000111344607 643335352 /nfs/dbraw/zinc/33/53/52/643335352.db2.gz SEWZBUALSRMEIJ-SNVBAGLBSA-N 0 0 388.852 2.238 10 0 GEAERN O=C(Nc1nnc(-c2ccsc2)s1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111734606 643345931 /nfs/dbraw/zinc/34/59/31/643345931.db2.gz PSLMYBZAXAVEMS-GFCCVEGCSA-N 0 0 376.467 2.396 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)[C@@H](C)Oc2ccccc2Br)CC1 ZINC000112294495 643357962 /nfs/dbraw/zinc/35/79/62/643357962.db2.gz VMSABCBMOYSMIO-KGLIPLIRSA-N 0 0 385.302 2.132 10 0 GEAERN CC(C)c1nc2n(n1)C[C@H](N[C@@H](C(N)=O)c1ccc(Br)cc1)CC2 ZINC000112552120 643365232 /nfs/dbraw/zinc/36/52/32/643365232.db2.gz BHWWSFILBNTXTD-UKRRQHHQSA-N 0 0 392.301 2.295 10 0 GEAERN O=C(NCCc1cc(Br)ccc1F)N[C@H]1CCc2ncnn2C1 ZINC000112746357 643372641 /nfs/dbraw/zinc/37/26/41/643372641.db2.gz OZQHPAIFDQWVSB-LBPRGKRZSA-N 0 0 382.237 2.036 10 0 GEAERN CCc1csc([C@@H]2CCCN(C(=O)[C@H]3CCCCN3S(C)(=O)=O)C2)n1 ZINC000113204219 643385036 /nfs/dbraw/zinc/38/50/36/643385036.db2.gz HJLMRQMLQXTAAA-UKRRQHHQSA-N 0 0 385.555 2.226 10 0 GEAERN COC(=O)C[C@H](NC(=O)NCCn1cccn1)c1cccc(Br)c1 ZINC000114941884 643427505 /nfs/dbraw/zinc/42/75/05/643427505.db2.gz ZIACIUVGWNXEGA-AWEZNQCLSA-N 0 0 395.257 2.249 10 0 GEAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2cc(Br)c[nH]2)CC1 ZINC000115388076 643437763 /nfs/dbraw/zinc/43/77/63/643437763.db2.gz FJEXNZDCOGNHME-UHFFFAOYSA-N 0 0 380.290 2.086 10 0 GEAERN Cn1cc(CN2CCCN(S(=O)(=O)c3ccc(Cl)cc3F)CC2)cn1 ZINC000115581352 643442085 /nfs/dbraw/zinc/44/20/85/643442085.db2.gz RZWLECALKNJLOC-UHFFFAOYSA-N 0 0 386.880 2.109 10 0 GEAERN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116113197 643452405 /nfs/dbraw/zinc/45/24/05/643452405.db2.gz DWZQRIVJVZDMIG-LBPRGKRZSA-N 0 0 381.885 2.497 10 0 GEAERN CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116370555 643461103 /nfs/dbraw/zinc/46/11/03/643461103.db2.gz ZJVWVCAVLDDFTO-LBPRGKRZSA-N 0 0 386.880 2.379 10 0 GEAERN Cn1cc([C@@H]2CCN(C(=O)C(=O)Nc3ccc(F)cc3Br)C2)cn1 ZINC000116587224 643465508 /nfs/dbraw/zinc/46/55/08/643465508.db2.gz BPXHUXIZEDOKHR-SNVBAGLBSA-N 0 0 395.232 2.276 10 0 GEAERN Cc1nc(CN2CCCN(C(=O)NCC[S@](=O)C(C)(C)C)CC2)cs1 ZINC000116966502 643479130 /nfs/dbraw/zinc/47/91/30/643479130.db2.gz SBEGVQXOKWWJOC-RUZDIDTESA-N 0 0 386.587 2.216 10 0 GEAERN COCCN1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC000117369846 643490202 /nfs/dbraw/zinc/49/02/02/643490202.db2.gz HTYOCYNXHZWGRM-GFCCVEGCSA-N 0 0 381.325 2.476 10 0 GEAERN C[C@H](CNC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000118467258 643513813 /nfs/dbraw/zinc/51/38/13/643513813.db2.gz OJJXRYUBZXCENL-ABAIWWIYSA-N 0 0 376.284 2.047 10 0 GEAERN Cc1cnn(CCNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)c1 ZINC000119171997 643540336 /nfs/dbraw/zinc/54/03/36/643540336.db2.gz JPOAVMSDDNMIRF-UHFFFAOYSA-N 0 0 375.226 2.226 10 0 GEAERN O=C(Cc1ccccc1I)N[C@H]1CCCn2ncnc21 ZINC000119377962 643549675 /nfs/dbraw/zinc/54/96/75/643549675.db2.gz RONXHJNPSIGFCX-LBPRGKRZSA-N 0 0 382.205 2.077 10 0 GEAERN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000120285893 643597678 /nfs/dbraw/zinc/59/76/78/643597678.db2.gz WRVZOMIXCNYTSR-SMDDNHRTSA-N 0 0 391.269 2.381 10 0 GEAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3cc(C)c(F)cc3Cl)CCO2)c1 ZINC000120409428 643605332 /nfs/dbraw/zinc/60/53/32/643605332.db2.gz QRKSTAMEXUASEA-CYBMUJFWSA-N 0 0 387.864 2.382 10 0 GEAERN COC(=O)[C@H](O)C1CCN(C(=O)N[C@H](C)c2cccc(Br)c2)CC1 ZINC000120503882 643612813 /nfs/dbraw/zinc/61/28/13/643612813.db2.gz WPICTSNQXSZWIG-IAQYHMDHSA-N 0 0 399.285 2.466 10 0 GEAERN COCC(=O)N(C)CC(=O)O[C@@H](C)c1ccc(I)cc1 ZINC000123204801 643665896 /nfs/dbraw/zinc/66/58/96/643665896.db2.gz RSPODTZKNAKAFT-JTQLQIEISA-N 0 0 391.205 2.000 10 0 GEAERN COCCn1cc(NC(=O)C(=O)N[C@@H](C)c2ccccc2Br)cn1 ZINC000124874160 643690993 /nfs/dbraw/zinc/69/09/93/643690993.db2.gz YHIZHVUTSACMPV-NSHDSACASA-N 0 0 395.257 2.108 10 0 GEAERN COCCn1cc(NC(=O)C(=O)N[C@H](C)c2cccc(Br)c2)cn1 ZINC000125309337 643705832 /nfs/dbraw/zinc/70/58/32/643705832.db2.gz DUKSYOYULHUIOH-LLVKDONJSA-N 0 0 395.257 2.108 10 0 GEAERN CCc1nnc([C@@H]2CN(C(=O)Nc3cncc(Br)c3)CCO2)[nH]1 ZINC000126257890 643726298 /nfs/dbraw/zinc/72/62/98/643726298.db2.gz MIDJBMDLJQXORW-NSHDSACASA-N 0 0 381.234 2.130 10 0 GEAERN CCCNc1nnc(S(=O)(=O)[C@H](C)C(=O)N[C@@H](C)c2ccccc2)s1 ZINC000127762178 643783148 /nfs/dbraw/zinc/78/31/48/643783148.db2.gz JHUKRNMBVRCMNP-NWDGAFQWSA-N 0 0 382.511 2.400 10 0 GEAERN C[C@@H]1COC[C@@H](C)N1C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000130855077 643852916 /nfs/dbraw/zinc/85/29/16/643852916.db2.gz SAHSFXFLGIRGGN-LALPHHSUSA-N 0 0 381.270 2.438 10 0 GEAERN CCOC(=O)[C@H](N[C@H]1CCc2ncnn2C1)c1ccc(Br)cc1F ZINC000132970615 643890196 /nfs/dbraw/zinc/89/01/96/643890196.db2.gz QWFQEJDIYJEOEW-XHDPSFHLSA-N 0 0 397.248 2.389 10 0 GEAERN O=C(OC[C@@H]1CC(=O)N(C2CC2)C1)[C@@H]1COc2ccc(Br)cc21 ZINC000133074737 643891586 /nfs/dbraw/zinc/89/15/86/643891586.db2.gz BQKROLAAWPABFI-QMTHXVAHSA-N 0 0 380.238 2.479 10 0 GEAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(I)c[nH]1 ZINC000151596356 643947470 /nfs/dbraw/zinc/94/74/70/643947470.db2.gz SYTIDLCWMRJJLE-SECBINFHSA-N 0 0 385.209 2.038 10 0 GEAERN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C)CCS(C)(=O)=O ZINC000153870909 644009144 /nfs/dbraw/zinc/00/91/44/644009144.db2.gz CFSFMOYJIPUXBL-IUODEOHRSA-N 0 0 388.917 2.034 10 0 GEAERN COc1ccc(Br)c(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)c1 ZINC000158476408 644146249 /nfs/dbraw/zinc/14/62/49/644146249.db2.gz RDDXLSQRPJYVRM-QMTHXVAHSA-N 0 0 385.258 2.064 10 0 GEAERN COC(=O)[C@@H]1C[C@@H]1C(=O)OCc1cccc(F)c1I ZINC000159784090 644194700 /nfs/dbraw/zinc/19/47/00/644194700.db2.gz KSNSGVSJPWXERY-BDAKNGLRSA-N 0 0 378.137 2.283 10 0 GEAERN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCOC[C@H]1CO ZINC000168472220 644280836 /nfs/dbraw/zinc/28/08/36/644280836.db2.gz LSACJYJSTZMRAG-GXSJLCMTSA-N 0 0 378.650 2.090 10 0 GEAERN C[C@@H](NC(N)=O)C(=O)Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1 ZINC000170831393 644290896 /nfs/dbraw/zinc/29/08/96/644290896.db2.gz BPSSPDBDSHWOLX-ZCFIWIBFSA-N 0 0 386.637 2.488 10 0 GEAERN COC(=O)[C@@H]1CCCN(C(=O)/C=C/c2ccc(I)o2)C1 ZINC000171459826 644323031 /nfs/dbraw/zinc/32/30/31/644323031.db2.gz LWTSOJWZVIJGMF-BREXMAIKSA-N 0 0 389.189 2.309 10 0 GEAERN C[C@H]1CN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)CCS1 ZINC000171567662 644327921 /nfs/dbraw/zinc/32/79/21/644327921.db2.gz LFGSCPRCJHZQGA-VIFPVBQESA-N 0 0 378.313 2.430 10 0 GEAERN Cn1cc(Br)cc1C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000173092829 644350424 /nfs/dbraw/zinc/35/04/24/644350424.db2.gz NTFFVBPXPPPEPQ-KRWDZBQOSA-N 0 0 392.297 2.279 10 0 GEAERN CCc1nnc([C@H]2CN(C(=O)c3cc(OC)ccc3Br)CCO2)[nH]1 ZINC000173096543 644351010 /nfs/dbraw/zinc/35/10/10/644351010.db2.gz OHVYHBIVRBTICM-CYBMUJFWSA-N 0 0 395.257 2.352 10 0 GEAERN CCc1nnc([C@H]2CN(C(=O)c3ccc(Br)cc3F)CCO2)[nH]1 ZINC000173096738 644351058 /nfs/dbraw/zinc/35/10/58/644351058.db2.gz HTJVOVLEYMMKNR-GFCCVEGCSA-N 0 0 383.221 2.482 10 0 GEAERN C[C@H](NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)c1ccc(F)c(Cl)c1 ZINC000175792690 644393678 /nfs/dbraw/zinc/39/36/78/644393678.db2.gz LIIWAAOCOITDEJ-BJOHPYRUSA-N 0 0 383.832 2.386 10 0 GEAERN Cc1csc([C@H](OC(=O)C2CCN(S(C)(=O)=O)CC2)C(F)(F)F)n1 ZINC000175987555 644395699 /nfs/dbraw/zinc/39/56/99/644395699.db2.gz SYDKIMIVRNYVDR-JTQLQIEISA-N 0 0 386.417 2.270 10 0 GEAERN C[C@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C[C@@H]1N1CCOCC1 ZINC000176703269 644404050 /nfs/dbraw/zinc/40/40/50/644404050.db2.gz ZWSABOXKUPVKTD-WFASDCNBSA-N 0 0 378.416 2.137 10 0 GEAERN O=C(NC[C@@H]1CCCC[C@@H]1O)c1ccc2ncc(I)n2c1 ZINC000176852761 644406376 /nfs/dbraw/zinc/40/63/76/644406376.db2.gz VHNYJCVLOABGEP-JQWIXIFHSA-N 0 0 399.232 2.220 10 0 GEAERN O=C(Nc1cccc(Cl)c1Cl)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000177650208 644422150 /nfs/dbraw/zinc/42/21/50/644422150.db2.gz IMXDEUWJPDELPK-NSHDSACASA-N 0 0 383.235 2.056 10 0 GEAERN Cn1c(=O)cc(CN2CCCCc3cc(Br)ccc32)n(C)c1=O ZINC000179465135 644461806 /nfs/dbraw/zinc/46/18/06/644461806.db2.gz CASFDXOTCGEIGX-UHFFFAOYSA-N 0 0 378.270 2.189 10 0 GEAERN Cn1cc(NC(=O)C(=O)N2CCC[C@@H]2c2ccco2)cc(Br)c1=O ZINC000179717673 644470941 /nfs/dbraw/zinc/47/09/41/644470941.db2.gz YVRAIIAIFWDDPT-GFCCVEGCSA-N 0 0 394.225 2.043 10 0 GEAERN CCc1nnc(CS(=O)(=O)Cc2ccc(F)c(Br)c2)n1C ZINC000180053381 644484568 /nfs/dbraw/zinc/48/45/68/644484568.db2.gz CDWKTQMNXQHMBV-UHFFFAOYSA-N 0 0 376.251 2.394 10 0 GEAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cccc(Br)n2)ncn1 ZINC000182763851 644971099 /nfs/dbraw/zinc/97/10/99/644971099.db2.gz ZKMQKVKBOGYHKA-LLVKDONJSA-N 0 0 391.273 2.075 10 0 GEAERN CC[C@H]1CN(C(=O)c2ccc(OC)c(Br)n2)CCN1CCOC ZINC000183156151 644982000 /nfs/dbraw/zinc/98/20/00/644982000.db2.gz XDODHWWZRZGSNE-LBPRGKRZSA-N 0 0 386.290 2.036 10 0 GEAERN COc1ccc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)nc1Br ZINC000183153712 644982064 /nfs/dbraw/zinc/98/20/64/644982064.db2.gz RHGOKUYGFGJXIK-NSHDSACASA-N 0 0 392.257 2.042 10 0 GEAERN Cc1noc([C@H]2COCCN2CC(=O)Nc2ccc(Br)c(C)c2)n1 ZINC000185086893 645034314 /nfs/dbraw/zinc/03/43/14/645034314.db2.gz BJRFGXIPCNVTDH-CQSZACIVSA-N 0 0 395.257 2.461 10 0 GEAERN C[C@@H](CCS(C)(=O)=O)OC(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000185794126 645053828 /nfs/dbraw/zinc/05/38/28/645053828.db2.gz CDFDQMPWHYEYQU-JOYOIKCWSA-N 0 0 377.256 2.292 10 0 GEAERN Cc1ncc(CN2CCN(S(=O)(=O)c3ccc(C)nc3Cl)CC2)s1 ZINC000189605117 645139297 /nfs/dbraw/zinc/13/92/97/645139297.db2.gz KEAKJVDQMLPKTA-UHFFFAOYSA-N 0 0 386.930 2.315 10 0 GEAERN COC(=O)[C@@H]1CCCN(Cn2c(=O)oc3cc(F)c(Br)cc32)C1 ZINC000192159908 645197141 /nfs/dbraw/zinc/19/71/41/645197141.db2.gz FVIOKFJRYVEPAR-SECBINFHSA-N 0 0 387.205 2.339 10 0 GEAERN Cc1cnn(CCNC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)c1 ZINC000193287160 645262322 /nfs/dbraw/zinc/26/23/22/645262322.db2.gz HDPDSPINVOHCLM-UHFFFAOYSA-N 0 0 391.269 2.198 10 0 GEAERN O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCC[C@@H](n2cncn2)C1 ZINC000194263682 645320512 /nfs/dbraw/zinc/32/05/12/645320512.db2.gz AETFAYJOPAZJGU-UKRRQHHQSA-N 0 0 377.242 2.208 10 0 GEAERN CCOCCN1CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)C[C@@H]1C ZINC000194326248 645322297 /nfs/dbraw/zinc/32/22/97/645322297.db2.gz BOSDPEJRNFFUIU-GUYCJALGSA-N 0 0 397.313 2.322 10 0 GEAERN C[C@@H](NC(=O)c1csc(C(F)(F)F)n1)c1ccc(S(N)(=O)=O)cc1 ZINC000195023247 645355288 /nfs/dbraw/zinc/35/52/88/645355288.db2.gz DHFWORVMDFBBQY-SSDOTTSWSA-N 0 0 379.385 2.300 10 0 GEAERN C[C@H](NC(=O)c1csc(C(F)(F)F)n1)c1ccc(S(N)(=O)=O)cc1 ZINC000195023231 645355434 /nfs/dbraw/zinc/35/54/34/645355434.db2.gz DHFWORVMDFBBQY-ZETCQYMHSA-N 0 0 379.385 2.300 10 0 GEAERN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1O ZINC000195280354 645369249 /nfs/dbraw/zinc/36/92/49/645369249.db2.gz QIMLQPJDHLTASD-PWSUYJOCSA-N 0 0 393.259 2.248 10 0 GEAERN CCS(=O)(=O)N1CCN(C(=O)c2ccccc2Cc2cccs2)CC1 ZINC000222788974 645386262 /nfs/dbraw/zinc/38/62/62/645386262.db2.gz SEEDXFXINMMKSR-UHFFFAOYSA-N 0 0 378.519 2.446 10 0 GEAERN O=C(c1cc(Br)cc(Br)c1)N1CCO[C@H](CO)C1 ZINC000222961778 645386307 /nfs/dbraw/zinc/38/63/07/645386307.db2.gz LZTAVTMHMMIIBD-NSHDSACASA-N 0 0 379.048 2.045 10 0 GEAERN C[C@H](C(=O)Nc1ccccc1Br)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246384968 645482192 /nfs/dbraw/zinc/48/21/92/645482192.db2.gz IJMCRQGYSVFJDY-CKEIUWERSA-N 0 0 396.329 2.429 10 0 GEAERN C[C@@H](C(=O)Nc1ccccc1Br)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246384983 645482281 /nfs/dbraw/zinc/48/22/81/645482281.db2.gz IJMCRQGYSVFJDY-JKIFEVAISA-N 0 0 396.329 2.429 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H](C)Oc1ccccc1Cl ZINC000246600257 645486537 /nfs/dbraw/zinc/48/65/37/645486537.db2.gz BJXDSQUWBZRRSM-ZFWWWQNUSA-N 0 0 388.917 2.428 10 0 GEAERN CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000246783076 645494414 /nfs/dbraw/zinc/49/44/14/645494414.db2.gz CMUMHBHZDRWJNU-SMDDNHRTSA-N 0 0 378.416 2.439 10 0 GEAERN CCCN(C(=O)[C@H](C)SC[C@@H](O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000248005764 645522499 /nfs/dbraw/zinc/52/24/99/645522499.db2.gz PPKWWFCUWDWWNK-BHYGNILZSA-N 0 0 385.551 2.267 10 0 GEAERN CNC(=O)[C@@H]1CN(C(=O)NC[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CCO1 ZINC000248460322 645527433 /nfs/dbraw/zinc/52/74/33/645527433.db2.gz WGSMKOOVPSFPSE-ZBINZKHDSA-N 0 0 386.279 2.253 10 0 GEAERN O=S(=O)(c1cc(Br)cnc1Cl)N1CCN2CCCC[C@H]2C1 ZINC000249763239 645560618 /nfs/dbraw/zinc/56/06/18/645560618.db2.gz OEMUGYLDVQJAMM-NSHDSACASA-N 0 0 394.722 2.356 10 0 GEAERN C[C@@H]1CN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)C[C@H]1N1CCOCC1 ZINC000252657487 645566934 /nfs/dbraw/zinc/56/69/34/645566934.db2.gz ZXXVDDDHQMNICI-MLGOLLRUSA-N 0 0 393.336 2.476 10 0 GEAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(CC(=O)Nc2ccccc2Br)CC1 ZINC000262486108 645633044 /nfs/dbraw/zinc/63/30/44/645633044.db2.gz FMGQMFYUERELAC-CYBMUJFWSA-N 0 0 398.301 2.259 10 0 GEAERN C[C@@H](C(=O)Nc1ccccc1Br)N1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000262489701 645633148 /nfs/dbraw/zinc/63/31/48/645633148.db2.gz WJUCMPJMHRNXJQ-LBPRGKRZSA-N 0 0 398.301 2.257 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Cc2cc(OC)ccc2Br)C1 ZINC000263123402 645653525 /nfs/dbraw/zinc/65/35/25/645653525.db2.gz KVGCKJQHKCNSEA-UHFFFAOYSA-N 0 0 399.285 2.054 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NCc2ccc(Br)cc2C)C1 ZINC000263191972 645657137 /nfs/dbraw/zinc/65/71/37/645657137.db2.gz GLAWEAGBKBAQSX-UHFFFAOYSA-N 0 0 398.301 2.494 10 0 GEAERN CC[C@@H](NC(=O)N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1)c1ccc(Cl)s1 ZINC000263221056 645657721 /nfs/dbraw/zinc/65/77/21/645657721.db2.gz KQJBDSCHDJSPSK-VXGBXAGGSA-N 0 0 389.905 2.279 10 0 GEAERN CC(=O)NC1CN(C(=O)c2cc(Br)ccc2Br)C1 ZINC000276145176 646367991 /nfs/dbraw/zinc/36/79/91/646367991.db2.gz FLFUAZJPVDHMLN-UHFFFAOYSA-N 0 0 376.048 2.172 10 0 GEAERN CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)C[C@H]1c1ncc[nH]1 ZINC000328628923 647311453 /nfs/dbraw/zinc/31/14/53/647311453.db2.gz OEQFSVXSCUDFMN-NSHDSACASA-N 0 0 375.281 2.394 10 0 GEAERN O=S(=O)(NC[C@@H]1CCn2ccnc2C1)c1cc(Br)ccc1F ZINC000328627143 647311533 /nfs/dbraw/zinc/31/15/33/647311533.db2.gz 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653814143 /nfs/dbraw/zinc/81/41/43/653814143.db2.gz PUQMBIMRLUSHAF-HNNXBMFYSA-N 0 0 382.262 2.002 10 0 GEAERN C[C@H]1C[C@H](NC(=O)C2C[C@H]3CSC[C@@H](C2)C3=O)c2ccsc2S1(=O)=O ZINC000908305684 654620647 /nfs/dbraw/zinc/62/06/47/654620647.db2.gz QOBIKCGTFJCKQM-VXOGWHHMSA-N 0 0 399.559 2.430 10 0 GEAERN C[C@H](NC(=O)Cn1ccc(C(F)(F)F)n1)c1ccc(S(C)(=O)=O)cc1 ZINC000016109166 531569677 /nfs/dbraw/zinc/56/96/77/531569677.db2.gz RNLLEXYAYGZDCF-JTQLQIEISA-N 0 0 375.372 2.183 10 0 GEAERN CN(c1cccnn1)C1CCN(C(=O)c2ccncc2Br)CC1 ZINC000152843985 531575415 /nfs/dbraw/zinc/57/54/15/531575415.db2.gz CJUUASWCSWLWBZ-UHFFFAOYSA-N 0 0 376.258 2.375 10 0 GEAERN CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000155270136 531670462 /nfs/dbraw/zinc/67/04/62/531670462.db2.gz UIVRYJYDGFLKNK-GWCFXTLKSA-N 0 0 385.258 2.470 10 0 GEAERN O=S(=O)(c1ccc(F)cc1Br)N1CCN2CCCC[C@@H]2C1 ZINC000040446899 531661420 /nfs/dbraw/zinc/66/14/20/531661420.db2.gz UZKIYDDLZRIDST-GFCCVEGCSA-N 0 0 377.279 2.447 10 0 GEAERN CC[C@H]1CN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)CCN1CCOC ZINC000155204426 531664243 /nfs/dbraw/zinc/66/42/43/531664243.db2.gz WXCVOMOAMFUNCM-AWEZNQCLSA-N 0 0 378.897 2.352 10 0 GEAERN CCOc1cc(Br)ccc1NC(=O)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000155303885 531674052 /nfs/dbraw/zinc/67/40/52/531674052.db2.gz DXPKEFREHHDKTP-GHMZBOCLSA-N 0 0 385.258 2.422 10 0 GEAERN COc1cc(C(=O)N2CCOC[C@@H]2c2nc(C)no2)sc1Br ZINC000155379845 531679582 /nfs/dbraw/zinc/67/95/82/531679582.db2.gz BAFRBMUYEZOHQP-MRVPVSSYSA-N 0 0 388.243 2.424 10 0 GEAERN Cc1cnn(C[C@H]2CN(C(=O)c3ccc(Br)c(O)c3)CCO2)c1 ZINC000155914373 531704347 /nfs/dbraw/zinc/70/43/47/531704347.db2.gz KKPRVZDTFQYZIS-CYBMUJFWSA-N 0 0 380.242 2.201 10 0 GEAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(C)nc1Br ZINC000157151956 531732397 /nfs/dbraw/zinc/73/23/97/531732397.db2.gz UUFZLEOEHGGROH-NSHDSACASA-N 0 0 380.246 2.155 10 0 GEAERN C[C@@H]1CC[C@@H](C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)O1 ZINC000157547692 531745823 /nfs/dbraw/zinc/74/58/23/531745823.db2.gz 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/nfs/dbraw/zinc/95/71/33/531957133.db2.gz XWVPSYOFGJGIHT-NSHDSACASA-N 0 0 399.314 2.205 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc(OC)ccc1Br)CC2 ZINC000114864902 531957560 /nfs/dbraw/zinc/95/75/60/531957560.db2.gz FHYCJUGEAGWRLY-SNVBAGLBSA-N 0 0 379.258 2.356 10 0 GEAERN C[C@@](O)(CNC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21)c1ccsc1 ZINC000172597912 531959605 /nfs/dbraw/zinc/95/96/05/531959605.db2.gz WCBOYOLKCYKGNT-WMLDXEAASA-N 0 0 380.491 2.174 10 0 GEAERN CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(Cl)nc1Cl)CC2 ZINC000172605369 531960716 /nfs/dbraw/zinc/96/07/16/531960716.db2.gz CLKGCPZNHKBFPZ-SECBINFHSA-N 0 0 390.296 2.397 10 0 GEAERN C[C@H](CNC(=O)N1CCc2cccc(Br)c2C1)N1CCOCC1 ZINC000172426808 531953433 /nfs/dbraw/zinc/95/34/33/531953433.db2.gz YIWLXICXDBFTSG-CYBMUJFWSA-N 0 0 382.302 2.238 10 0 GEAERN Cc1cc(S(=O)(=O)N2CCC[C@H](n3cncn3)C2)ccc1Br ZINC000114209442 531955765 /nfs/dbraw/zinc/95/57/65/531955765.db2.gz JKQPTJFADXTJQC-LBPRGKRZSA-N 0 0 385.287 2.375 10 0 GEAERN Cc1ccc(O[C@@H](C)C(=O)N2CC[C@H](N3CCOCC3)C2)c(Br)c1 ZINC000172750337 531967130 /nfs/dbraw/zinc/96/71/30/531967130.db2.gz QFYMBHNCXVTQSF-GJZGRUSLSA-N 0 0 397.313 2.458 10 0 GEAERN C[C@H](NC(=O)c1c[nH]c(=O)c(Br)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000172994103 531978811 /nfs/dbraw/zinc/97/88/11/531978811.db2.gz KQJURNYTTGRPHZ-VIFPVBQESA-N 0 0 399.266 2.032 10 0 GEAERN O=C([C@H]1CNC(=O)C1)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000173324829 532004969 /nfs/dbraw/zinc/00/49/69/532004969.db2.gz OIODTCYOBCQYRK-DGCLKSJQSA-N 0 0 384.217 2.091 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)CCc3cccc(Br)c3)CCO2)[nH]1 ZINC000173552466 532020227 /nfs/dbraw/zinc/02/02/27/532020227.db2.gz ASMBLAMUIXVBQS-AWEZNQCLSA-N 0 0 379.258 2.408 10 0 GEAERN Cc1csc([C@H]2CCCN(C(=O)c3cc(S(N)(=O)=O)ccc3C)C2)n1 ZINC000173588702 532021145 /nfs/dbraw/zinc/02/11/45/532021145.db2.gz TXNOWYHMSBZROY-ZDUSSCGKSA-N 0 0 379.507 2.427 10 0 GEAERN CCc1nnc([C@@H]2CN(C(=O)Cc3cccc(Br)c3)CCO2)[nH]1 ZINC000173569128 532021421 /nfs/dbraw/zinc/02/14/21/532021421.db2.gz AZPLDBKKXWQLLT-ZDUSSCGKSA-N 0 0 379.258 2.272 10 0 GEAERN C[C@H](N[C@H](C(N)=O)c1ccc(Br)cc1)c1nnc2n1CCCC2 ZINC000173625666 532022303 /nfs/dbraw/zinc/02/23/03/532022303.db2.gz AVGHAMVIIMNQAG-HZMBPMFUSA-N 0 0 378.274 2.254 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@H](C)Oc1ccc(Cl)cc1 ZINC000173665658 532025779 /nfs/dbraw/zinc/02/57/79/532025779.db2.gz AZIQROIYZHWZSF-CJNGLKHVSA-N 0 0 388.917 2.428 10 0 GEAERN Cc1nnc([C@@H]2CN(CC(=O)Nc3ccc(C)cc3Br)CCO2)[nH]1 ZINC000173715080 532027098 /nfs/dbraw/zinc/02/70/98/532027098.db2.gz AOCDGIKGNUOVOE-AWEZNQCLSA-N 0 0 394.273 2.196 10 0 GEAERN CSc1ccc(Cl)cc1NC(=O)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173692987 532028052 /nfs/dbraw/zinc/02/80/52/532028052.db2.gz VYPICDQIKJQEKA-GFCCVEGCSA-N 0 0 379.873 2.456 10 0 GEAERN Cc1cc(Br)ccc1CNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173859712 532038755 /nfs/dbraw/zinc/03/87/55/532038755.db2.gz MGNBZUAIJSEGSC-INIZCTEOSA-N 0 0 382.302 2.374 10 0 GEAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000121732730 532043094 /nfs/dbraw/zinc/04/30/94/532043094.db2.gz GBLXQWZZXTWHLE-GFCCVEGCSA-N 0 0 392.257 2.193 10 0 GEAERN COc1c(Br)c(C)sc1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000174013725 532045803 /nfs/dbraw/zinc/04/58/03/532045803.db2.gz JKHZZKVUIVJDHH-NSHDSACASA-N 0 0 389.315 2.374 10 0 GEAERN C[C@H](NS(=O)(=O)c1cnc(Cl)c(Cl)c1)c1nnc2n1CCCC2 ZINC000121712325 532044059 /nfs/dbraw/zinc/04/40/59/532044059.db2.gz UBAPPKMMTULNCH-QMMMGPOBSA-N 0 0 376.269 2.356 10 0 GEAERN C[C@@H](NS(=O)(=O)c1ccc(Br)s1)c1nnc2n1CCCC2 ZINC000121778354 532047017 /nfs/dbraw/zinc/04/70/17/532047017.db2.gz VVZOBLJARAJBNC-MRVPVSSYSA-N 0 0 391.316 2.478 10 0 GEAERN CCN(CCCNC(=O)N1CCC[C@H](c2nc(C)cs2)C1)S(C)(=O)=O ZINC000174186723 532055432 /nfs/dbraw/zinc/05/54/32/532055432.db2.gz RSAVDNYJLLSBRD-AWEZNQCLSA-N 0 0 388.559 2.012 10 0 GEAERN C[C@@H](O)CN1CCN(C(=O)c2cc(Br)cnc2Cl)C[C@@H]1C ZINC000174288107 532059538 /nfs/dbraw/zinc/05/95/38/532059538.db2.gz QPRGWTNZNNDNDB-VHSXEESVSA-N 0 0 376.682 2.025 10 0 GEAERN C[C@@H](NC(=O)C(=O)Nc1cc(F)c(Br)cc1F)[C@H]1CCCO1 ZINC000122657324 532078023 /nfs/dbraw/zinc/07/80/23/532078023.db2.gz WXMGHVXYYSPHER-JMCQJSRRSA-N 0 0 377.185 2.350 10 0 GEAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000122997546 532089000 /nfs/dbraw/zinc/08/90/00/532089000.db2.gz BQEHEGZWHKSNJR-AMIZOPFISA-N 0 0 391.212 2.333 10 0 GEAERN Cc1ccccc1[C@@H](C)NC(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000123491787 532099960 /nfs/dbraw/zinc/09/99/60/532099960.db2.gz UIAIGNKSLKIZPK-LLVKDONJSA-N 0 0 392.253 2.272 10 0 GEAERN C[C@@H](NC(=O)C(=O)Nc1cc(Br)cn(C)c1=O)c1cccs1 ZINC000175843282 532116840 /nfs/dbraw/zinc/11/68/40/532116840.db2.gz TWOICTNHHNTKRS-MRVPVSSYSA-N 0 0 384.255 2.025 10 0 GEAERN CN1CCO[C@@H](CNC(=O)c2ccc(I)c(Cl)c2)C1 ZINC000175951177 532119759 /nfs/dbraw/zinc/11/97/59/532119759.db2.gz WODWUFZRMUMOFR-JTQLQIEISA-N 0 0 394.640 2.005 10 0 GEAERN O=C(NCc1cccs1)c1cc(NC(=O)[C@@H]2CNC(=O)C2)ccc1Cl ZINC000175687586 532112336 /nfs/dbraw/zinc/11/23/36/532112336.db2.gz NRDUGVXEJKEURC-JTQLQIEISA-N 0 0 377.853 2.406 10 0 GEAERN CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)c1ccc(C(N)=O)s1 ZINC000176534120 532139866 /nfs/dbraw/zinc/13/98/66/532139866.db2.gz MVGXOALRILTYFS-LBPRGKRZSA-N 0 0 379.507 2.054 10 0 GEAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2occc2Br)ncn1 ZINC000176198110 532129586 /nfs/dbraw/zinc/12/95/86/532129586.db2.gz PQLGGUAIURYJBT-SNVBAGLBSA-N 0 0 380.246 2.273 10 0 GEAERN COc1nc(N(C)[C@H]2CCCN(c3cccnn3)C2)ncc1Br ZINC000176248398 532131866 /nfs/dbraw/zinc/13/18/66/532131866.db2.gz INXFQZQREQVKFT-NSHDSACASA-N 0 0 379.262 2.143 10 0 GEAERN CC[C@@H](NC(=O)N[C@H](C)c1cccc(Br)c1)C(=O)N1CCOCC1 ZINC000176392387 532135692 /nfs/dbraw/zinc/13/56/92/532135692.db2.gz FRTPDFVUTNUIFY-IUODEOHRSA-N 0 0 398.301 2.447 10 0 GEAERN CC(C)n1nnnc1C[S@@](=O)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000176576941 532141814 /nfs/dbraw/zinc/14/18/14/532141814.db2.gz PCPHHTYTAPZOEK-HSZRJFAPSA-N 0 0 376.269 2.448 10 0 GEAERN Cc1cc(S(=O)(=O)N2CCC[C@@H](n3cncn3)C2)sc1Br ZINC000176954814 532156736 /nfs/dbraw/zinc/15/67/36/532156736.db2.gz LUWAUJOEPJPTQV-SNVBAGLBSA-N 0 0 391.316 2.436 10 0 GEAERN C[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C[C@@H]1N1CCOCC1 ZINC000176992304 532157820 /nfs/dbraw/zinc/15/78/20/532157820.db2.gz RIUSUICIYLTQQA-NHYWBVRUSA-N 0 0 379.309 2.335 10 0 GEAERN C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C[C@@H]1N1CCOCC1 ZINC000176996309 532158822 /nfs/dbraw/zinc/15/88/22/532158822.db2.gz AAORCLSNRFLZBB-DOMZBBRYSA-N 0 0 378.416 2.047 10 0 GEAERN O=C(Nc1ccc(Br)cc1Cl)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000177178937 532163846 /nfs/dbraw/zinc/16/38/46/532163846.db2.gz XRSRVQDWTGBPQJ-NEPJUHHUSA-N 0 0 375.650 2.461 10 0 GEAERN O=C(c1c[nH]c(=O)c(Br)c1)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000177219989 532164586 /nfs/dbraw/zinc/16/45/86/532164586.db2.gz ATBCCRSQESJPKY-AAEUAGOBSA-N 0 0 381.226 2.459 10 0 GEAERN Cc1nc(CCNC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)sc1C ZINC000177734723 532181299 /nfs/dbraw/zinc/18/12/99/532181299.db2.gz KPDRUJRFYIICJW-LLVKDONJSA-N 0 0 382.511 2.010 10 0 GEAERN O=C(Cc1cccc(I)c1)N1CCC[C@@H](n2cncn2)C1 ZINC000177528476 532174568 /nfs/dbraw/zinc/17/45/68/532174568.db2.gz DSSACTCOLAGAFT-CQSZACIVSA-N 0 0 396.232 2.289 10 0 GEAERN O=C(N[C@H]1CCCn2ncnc21)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000177542975 532175241 /nfs/dbraw/zinc/17/52/41/532175241.db2.gz UFEXTBPLRMKTDS-ZDUSSCGKSA-N 0 0 388.225 2.147 10 0 GEAERN O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000177631628 532177364 /nfs/dbraw/zinc/17/73/64/532177364.db2.gz DUFKVILQIBOQSD-ZETCQYMHSA-N 0 0 388.642 2.308 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)CC2 ZINC000177637644 532177390 /nfs/dbraw/zinc/17/73/90/532177390.db2.gz PKISOJIVUUZMDR-LLVKDONJSA-N 0 0 382.251 2.217 10 0 GEAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CCN1C[C@@H](C)O ZINC000177612070 532177654 /nfs/dbraw/zinc/17/76/54/532177654.db2.gz DHRYTFXJQMYMGH-IAQYHMDHSA-N 0 0 388.295 2.236 10 0 GEAERN C[C@H]1COC[C@H](C)N1C(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000131310855 532195980 /nfs/dbraw/zinc/19/59/80/532195980.db2.gz RVNLLAGZZCIRQG-IUCAKERBSA-N 0 0 394.262 2.241 10 0 GEAERN Cn1cc(Br)cc(NC(=O)N2CCO[C@H](c3nccs3)C2)c1=O ZINC000177981928 532188607 /nfs/dbraw/zinc/18/86/07/532188607.db2.gz RWWVHPLEQWNXBL-NSHDSACASA-N 0 0 399.270 2.210 10 0 GEAERN Cn1cc(Br)cc(NC(=O)N2CCC(c3cc[nH]n3)CC2)c1=O ZINC000177981918 532189008 /nfs/dbraw/zinc/18/90/08/532189008.db2.gz POAYRPAPNWHFFY-UHFFFAOYSA-N 0 0 380.246 2.282 10 0 GEAERN Cc1ccc(I)cc1C(=O)NC[C@H](C)N1CCOCC1 ZINC000130115764 532189464 /nfs/dbraw/zinc/18/94/64/532189464.db2.gz ZNVHKMKLRRDVRS-LBPRGKRZSA-N 0 0 388.249 2.050 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)c3ccc(C(F)(F)F)nc3Cl)CCO2)[nH]1 ZINC000178555598 532205322 /nfs/dbraw/zinc/20/53/22/532205322.db2.gz GHCKVOZPJBDICY-VIFPVBQESA-N 0 0 375.738 2.394 10 0 GEAERN CNC(=O)[C@H](NC(=O)c1[nH]nc(-c2ccccc2)c1Br)C(C)C ZINC000178704125 532209699 /nfs/dbraw/zinc/20/96/99/532209699.db2.gz GRGWZDUUUKZQAZ-GFCCVEGCSA-N 0 0 379.258 2.340 10 0 GEAERN CNC(=O)[C@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)C(C)C ZINC000178861126 532214893 /nfs/dbraw/zinc/21/48/93/532214893.db2.gz AOSWMNZKYGDNHD-CYBMUJFWSA-N 0 0 382.873 2.369 10 0 GEAERN COCCN(C(=O)N[C@H](C)c1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000179570767 532235566 /nfs/dbraw/zinc/23/55/66/532235566.db2.gz ZOBQOWOTYQNINP-GHMZBOCLSA-N 0 0 380.919 2.308 10 0 GEAERN Cc1cnn(C[C@@H]2CN(C(=O)c3ccc(C)nc3Br)CCO2)c1 ZINC000133721671 532241399 /nfs/dbraw/zinc/24/13/99/532241399.db2.gz GOZBNPBHBSDYQO-ZDUSSCGKSA-N 0 0 379.258 2.199 10 0 GEAERN NC(=O)[C@@H]1COCCN1Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000179732992 532242419 /nfs/dbraw/zinc/24/24/19/532242419.db2.gz NSHGIWQRLJYCCW-AWEZNQCLSA-N 0 0 376.869 2.402 10 0 GEAERN O=C(c1cnn2cc(Br)cnc12)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000179842486 532246588 /nfs/dbraw/zinc/24/65/88/532246588.db2.gz WVSMTGKNMWMNBT-ZBEGNZNMSA-N 0 0 379.258 2.259 10 0 GEAERN Cn1cc([C@@H]2[C@H](C(=O)Nc3ccc(Br)nc3)CCC(=O)N2C)cn1 ZINC000134246108 532252866 /nfs/dbraw/zinc/25/28/66/532252866.db2.gz BPQFZILHZDIYAV-IUODEOHRSA-N 0 0 392.257 2.126 10 0 GEAERN CCn1c(C)nnc1CS(=O)(=O)c1nnc(-c2ccc(Cl)cc2)n1C ZINC000179619585 532239555 /nfs/dbraw/zinc/23/95/55/532239555.db2.gz YZAIUGJPWUVXKD-UHFFFAOYSA-N 0 0 380.861 2.029 10 0 GEAERN CCn1c(C)nnc1CS(=O)(=O)[C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000180093363 532257209 /nfs/dbraw/zinc/25/72/09/532257209.db2.gz QIBQIALQHRRAKI-SECBINFHSA-N 0 0 388.852 2.341 10 0 GEAERN Cc1nnc([C@H]2CN(Cc3cnc4ccc(Br)cn34)CCO2)[nH]1 ZINC000180105448 532258126 /nfs/dbraw/zinc/25/81/26/532258126.db2.gz VPRFYOLFAXKPPJ-CYBMUJFWSA-N 0 0 377.246 2.097 10 0 GEAERN Fc1cccc(Br)c1CN1CCN(c2ccc3nncn3n2)CC1 ZINC000180476414 532272382 /nfs/dbraw/zinc/27/23/82/532272382.db2.gz FBVVLXYJZQWZFH-UHFFFAOYSA-N 0 0 391.248 2.348 10 0 GEAERN O=C(c1cccc(Br)n1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000136954287 532287741 /nfs/dbraw/zinc/28/77/41/532287741.db2.gz QHRPDAZHJUGDIB-INIZCTEOSA-N 0 0 390.281 2.336 10 0 GEAERN O=S(=O)(c1ccc(Br)cc1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000180979790 532287711 /nfs/dbraw/zinc/28/77/11/532287711.db2.gz QPDYINWHTVKJQB-LBPRGKRZSA-N 0 0 385.287 2.142 10 0 GEAERN O=S(=O)(c1ccccc1Br)N1CCC[C@@H](Cn2cncn2)C1 ZINC000180970816 532287753 /nfs/dbraw/zinc/28/77/53/532287753.db2.gz XLQUXQKJSALZDZ-LBPRGKRZSA-N 0 0 385.287 2.142 10 0 GEAERN CC(C)c1nnc(CN(C)[C@@H](C(N)=O)c2cccc(Br)c2)n1C ZINC000181069677 532289726 /nfs/dbraw/zinc/28/97/26/532289726.db2.gz YHSSBHXSRQYXDV-CQSZACIVSA-N 0 0 380.290 2.359 10 0 GEAERN Cc1ncc(CN2CCN(CC(=O)Nc3nnc(C(C)C)s3)CC2)s1 ZINC000137125023 532288381 /nfs/dbraw/zinc/28/83/81/532288381.db2.gz ZOURKQPARGVVHW-UHFFFAOYSA-N 0 0 380.543 2.183 10 0 GEAERN Cn1cc(Br)cc(NC(=O)N2CCC[C@@H]2Cn2ccnc2)c1=O ZINC000180515556 532273989 /nfs/dbraw/zinc/27/39/89/532273989.db2.gz FEJYFBYLRAULOY-GFCCVEGCSA-N 0 0 380.246 2.041 10 0 GEAERN Cc1nc(Br)ccc1NC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000181322237 532295789 /nfs/dbraw/zinc/29/57/89/532295789.db2.gz GZGPQQALKRGJNH-SMDDNHRTSA-N 0 0 383.290 2.337 10 0 GEAERN COCc1cc(NC(=O)C(=O)N[C@@H](C)c2ccccc2Br)ncn1 ZINC000181350070 532296262 /nfs/dbraw/zinc/29/62/62/532296262.db2.gz CBIDMGJXDFBSNL-JTQLQIEISA-N 0 0 393.241 2.201 10 0 GEAERN COCc1cc(NC(=O)C(=O)N[C@H](C)c2ccccc2Br)ncn1 ZINC000181350089 532296620 /nfs/dbraw/zinc/29/66/20/532296620.db2.gz CBIDMGJXDFBSNL-SNVBAGLBSA-N 0 0 393.241 2.201 10 0 GEAERN O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CC[C@H](N2CCOCC2)C1 ZINC000181670444 532304342 /nfs/dbraw/zinc/30/43/42/532304342.db2.gz ZGPFLTZPRFSGNY-AWEZNQCLSA-N 0 0 379.309 2.230 10 0 GEAERN CCc1nnc([C@H]2CN(C(=O)NCc3ccccc3Br)CCO2)[nH]1 ZINC000137935264 532291006 /nfs/dbraw/zinc/29/10/06/532291006.db2.gz CRGZQGBFRQFUEP-CYBMUJFWSA-N 0 0 394.273 2.413 10 0 GEAERN Cc1cc(Br)ccc1CC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000182224042 532310554 /nfs/dbraw/zinc/31/05/54/532310554.db2.gz JXZGKGOUHMYAJD-RHSMWYFYSA-N 0 0 381.314 2.479 10 0 GEAERN CC[C@@H](O)CN1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000182408377 532312795 /nfs/dbraw/zinc/31/27/95/532312795.db2.gz PUNFIDULHBTPEW-CYBMUJFWSA-N 0 0 381.325 2.212 10 0 GEAERN NC(=O)COCCNC(=O)[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000183227051 532322215 /nfs/dbraw/zinc/32/22/15/532322215.db2.gz WVUKDNMIUSSYJU-IUODEOHRSA-N 0 0 375.252 2.079 10 0 GEAERN CN(C[C@H](c1cccs1)N1CCOCC1)S(=O)(=O)c1ccc(N)cc1 ZINC000186135831 532339944 /nfs/dbraw/zinc/33/99/44/532339944.db2.gz LPHXTYNYJASJNR-MRXNPFEDSA-N 0 0 381.523 2.024 10 0 GEAERN CC[C@H]1CN(Cc2cccc(Cl)c2S(=O)(=O)CC)CCN1C[C@@H](C)O ZINC000186940661 532342565 /nfs/dbraw/zinc/34/25/65/532342565.db2.gz CWWRYCDQEDHBJI-ZBFHGGJFSA-N 0 0 388.961 2.411 10 0 GEAERN COc1cc(C)c(Br)cc1NC(=O)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000184643205 532334064 /nfs/dbraw/zinc/33/40/64/532334064.db2.gz IDNMJAJMUXXUMX-GHMZBOCLSA-N 0 0 385.258 2.340 10 0 GEAERN COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000184674098 532334320 /nfs/dbraw/zinc/33/43/20/532334320.db2.gz NXYAEKDHAXOUDJ-YPMHNXCESA-N 0 0 399.285 2.372 10 0 GEAERN CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000184912012 532335786 /nfs/dbraw/zinc/33/57/86/532335786.db2.gz ZHJKXOGLTRJQMY-JTQLQIEISA-N 0 0 382.404 2.412 10 0 GEAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1nc(Br)ccc1C ZINC000188010196 532346282 /nfs/dbraw/zinc/34/62/82/532346282.db2.gz KXPHJXPPTRVIDT-SNVBAGLBSA-N 0 0 380.246 2.155 10 0 GEAERN Cc1cc(S(=O)(=O)N2CCCN(Cc3noc(C)n3)CC2)sc1Cl ZINC000188062056 532346548 /nfs/dbraw/zinc/34/65/48/532346548.db2.gz KENBAONROPBPEO-UHFFFAOYSA-N 0 0 390.918 2.298 10 0 GEAERN Cc1cc(I)cc(C(=O)N2CCCNC(=O)[C@H]2C)c1C ZINC000188098960 532346627 /nfs/dbraw/zinc/34/66/27/532346627.db2.gz LJOHHSIKIWEBJS-LLVKDONJSA-N 0 0 386.233 2.259 10 0 GEAERN O=C(Cc1ccc(F)cc1Br)N1CCO[C@@H](Cn2cccn2)C1 ZINC000188155758 532347083 /nfs/dbraw/zinc/34/70/83/532347083.db2.gz DSUINCIGECJCKP-CQSZACIVSA-N 0 0 382.233 2.255 10 0 GEAERN COC(=O)[C@@]1(C)CCCN1S(=O)(=O)c1cc(C)ccc1Br ZINC000188205174 532347281 /nfs/dbraw/zinc/34/72/81/532347281.db2.gz YLGXUXAGEFSEGO-CQSZACIVSA-N 0 0 376.272 2.474 10 0 GEAERN CCc1nnc([C@@H]2CN(C(=O)Nc3cccc(Br)n3)CCO2)[nH]1 ZINC000188479905 532348452 /nfs/dbraw/zinc/34/84/52/532348452.db2.gz SASMNLHRXVUZFW-VIFPVBQESA-N 0 0 381.234 2.130 10 0 GEAERN C[C@@H](O)CN1CCN(C(=O)C2(c3ccccc3Br)CC2)C[C@@H]1C ZINC000188659211 532349030 /nfs/dbraw/zinc/34/90/30/532349030.db2.gz MJCPEYNJTVOSQL-UONOGXRCSA-N 0 0 381.314 2.394 10 0 GEAERN CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)C(=O)Nc1ccsc1 ZINC000188893316 532349974 /nfs/dbraw/zinc/34/99/74/532349974.db2.gz DGOGEBSLEZVIIL-AWEZNQCLSA-N 0 0 379.507 2.280 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(Br)ncc1Cl)CC2 ZINC000188871858 532349988 /nfs/dbraw/zinc/34/99/88/532349988.db2.gz QMPQHXHFWNQHLC-QMMMGPOBSA-N 0 0 384.665 2.396 10 0 GEAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccc(Br)c(O)c2)C1 ZINC000189119246 532350867 /nfs/dbraw/zinc/35/08/67/532350867.db2.gz FAPCXTZENPGSKD-CMPLNLGQSA-N 0 0 382.214 2.448 10 0 GEAERN Cc1ccc(-n2nc(Br)cc2C(=O)N2CCCNC(=O)[C@H]2C)cc1 ZINC000189238068 532351469 /nfs/dbraw/zinc/35/14/69/532351469.db2.gz ULWPTBPCBFPDHJ-GFCCVEGCSA-N 0 0 391.269 2.294 10 0 GEAERN C[C@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)c1ccc(C(C)(C)C)cc1 ZINC000189538512 532352687 /nfs/dbraw/zinc/35/26/87/532352687.db2.gz ACSLJGYAORDFMO-AWEZNQCLSA-N 0 0 390.571 2.246 10 0 GEAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)Cc3ccc(Cl)c(F)c3)CCO2)c1 ZINC000189612601 532353028 /nfs/dbraw/zinc/35/30/28/532353028.db2.gz LPXDJYADHLILHH-CQSZACIVSA-N 0 0 387.864 2.215 10 0 GEAERN COC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000190346158 532355612 /nfs/dbraw/zinc/35/56/12/532355612.db2.gz IDGQOCUUWCAEID-LLVKDONJSA-N 0 0 378.734 2.461 10 0 GEAERN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)o1 ZINC000190454879 532356177 /nfs/dbraw/zinc/35/61/77/532356177.db2.gz KCQBCBUNZROMFC-SNVBAGLBSA-N 0 0 384.841 2.461 10 0 GEAERN C[C@@H]1CCN(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)CCS1(=O)=O ZINC000190584454 532357023 /nfs/dbraw/zinc/35/70/23/532357023.db2.gz LONJHCDXFKFVRM-TZMCWYRMSA-N 0 0 378.416 2.379 10 0 GEAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000190666681 532357381 /nfs/dbraw/zinc/35/73/81/532357381.db2.gz AHKWSIRBLDZTSJ-MRVPVSSYSA-N 0 0 377.750 2.034 10 0 GEAERN C[C@H](NC(=O)C(=O)Nc1cc(Br)c(F)cc1F)[C@@H]1CCCO1 ZINC000190771970 532357810 /nfs/dbraw/zinc/35/78/10/532357810.db2.gz NISFNKMEDUQSNG-MADCSZMMSA-N 0 0 377.185 2.350 10 0 GEAERN CCn1cc([C@H]2CN([C@H](C(N)=O)c3cccc(Br)c3)CCO2)cn1 ZINC000190831789 532358186 /nfs/dbraw/zinc/35/81/86/532358186.db2.gz YIPQWSAJPGRDMI-CVEARBPZSA-N 0 0 393.285 2.265 10 0 GEAERN O=C(Nc1ccc(Br)cn1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000191079501 532359536 /nfs/dbraw/zinc/35/95/36/532359536.db2.gz CPBKIQPVLVAOIR-GFCCVEGCSA-N 0 0 376.210 2.423 10 0 GEAERN C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)C[C@@H](C)O1 ZINC000191130548 532359581 /nfs/dbraw/zinc/35/95/81/532359581.db2.gz BAGVBZDEWCFQIW-HTQZYQBOSA-N 0 0 377.185 2.302 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)c3cc(Br)ncc3Cl)CCO2)[nH]1 ZINC000187595791 532344898 /nfs/dbraw/zinc/34/48/98/532344898.db2.gz JHKCJNAWJPCWIX-JTQLQIEISA-N 0 0 386.637 2.138 10 0 GEAERN COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@H]1CCCn2ncnc21 ZINC000192088567 532386388 /nfs/dbraw/zinc/38/63/88/532386388.db2.gz JZQRRIJEZVCGHI-JTQLQIEISA-N 0 0 384.223 2.183 10 0 GEAERN CCC(CC)CS(=O)(=O)N1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000192149995 532388578 /nfs/dbraw/zinc/38/85/78/532388578.db2.gz GXMUHMGDMHAWPJ-UHFFFAOYSA-N 0 0 376.563 2.490 10 0 GEAERN C[C@H](CNS(=O)(=O)c1ccc(Cl)c(Br)c1)N1CCOCC1 ZINC000192187189 532393751 /nfs/dbraw/zinc/39/37/51/532393751.db2.gz IWNOUWZIWHMTID-SNVBAGLBSA-N 0 0 397.722 2.102 10 0 GEAERN Cc1cc(N2CCC[C@@H](NC(=O)c3ccoc3Br)C2=O)n(C)n1 ZINC000193653385 532429566 /nfs/dbraw/zinc/42/95/66/532429566.db2.gz VVWDFWYWQTZHOQ-LLVKDONJSA-N 0 0 381.230 2.009 10 0 GEAERN C[C@@H](NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F)[C@@H]1CCCO1 ZINC000195235264 532472922 /nfs/dbraw/zinc/47/29/22/532472922.db2.gz KGIVEXAAQZIPLU-KCJUWKMLSA-N 0 0 394.262 2.289 10 0 GEAERN Cc1ccc(NC(=O)CN2C[C@H](N3CCOCC3)[C@@H](C)C2)c(Br)c1 ZINC000246634837 532543359 /nfs/dbraw/zinc/54/33/59/532543359.db2.gz ZSAUYNPAUYLKEK-YOEHRIQHSA-N 0 0 396.329 2.349 10 0 GEAERN C[C@H](O)CN1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C[C@@H]1C ZINC000246224730 532533000 /nfs/dbraw/zinc/53/30/00/532533000.db2.gz VUQDPEBEHSNGAA-RYUDHWBXSA-N 0 0 381.325 2.210 10 0 GEAERN CC[C@H]1CN(Cc2cccc(Cl)c2S(=O)(=O)CC)CCN1C[C@H](C)O ZINC000249404843 532564581 /nfs/dbraw/zinc/56/45/81/532564581.db2.gz CWWRYCDQEDHBJI-HOCLYGCPSA-N 0 0 388.961 2.411 10 0 GEAERN O=C(c1scc(Br)c1Br)N1CCO[C@@H](CO)C1 ZINC000528859571 532585791 /nfs/dbraw/zinc/58/57/91/532585791.db2.gz DZUVFJFNMVQLFK-ZCFIWIBFSA-N 0 0 385.077 2.106 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(Br)cc2OC)C1 ZINC000262684881 532598512 /nfs/dbraw/zinc/59/85/12/532598512.db2.gz CCYXTCXEWYOVOQ-UHFFFAOYSA-N 0 0 385.258 2.125 10 0 GEAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)CCSc2ccccc2Cl)CCO1 ZINC000262874524 532604680 /nfs/dbraw/zinc/60/46/80/532604680.db2.gz DNFJBXTUYPCQLS-CYBMUJFWSA-N 0 0 386.901 2.066 10 0 GEAERN O=C([C@@H]1CC(F)(F)CN1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000262904057 532606344 /nfs/dbraw/zinc/60/63/44/532606344.db2.gz DXNPTPBMMZFUKB-NSHDSACASA-N 0 0 394.285 2.152 10 0 GEAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)CCSc2ccc(Cl)cc2)CCO1 ZINC000262964224 532609549 /nfs/dbraw/zinc/60/95/49/532609549.db2.gz QQHIVCSWIQVMPS-AWEZNQCLSA-N 0 0 386.901 2.066 10 0 GEAERN Cc1ccc(Cl)c(S(=O)(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)c1 ZINC000263482779 532626812 /nfs/dbraw/zinc/62/68/12/532626812.db2.gz LMRAFVJSUGFKKH-UHFFFAOYSA-N 0 0 386.901 2.254 10 0 GEAERN Cn1ncc(N2CCC[C@@H]2c2nnc3n2CCCCC3)c(Br)c1=O ZINC000301249826 532746520 /nfs/dbraw/zinc/74/65/20/532746520.db2.gz RKXMAZROEPQCEK-LLVKDONJSA-N 0 0 393.289 2.202 10 0 GEAERN Cc1cc(Br)cnc1NCCS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000301609194 532756760 /nfs/dbraw/zinc/75/67/60/532756760.db2.gz AVINPSQDXJUNOL-RYUDHWBXSA-N 0 0 392.319 2.003 10 0 GEAERN O=S(=O)(c1ccc(F)c(F)c1)N1CCN(c2nnc(C3CC3)s2)CC1 ZINC000301712170 532757293 /nfs/dbraw/zinc/75/72/93/532757293.db2.gz FDKHOJSFHNBJCP-UHFFFAOYSA-N 0 0 386.449 2.205 10 0 GEAERN CCc1noc([C@]2(O)CCN(S(=O)(=O)c3cc(Cl)sc3Cl)C2)n1 ZINC000328609031 532793700 /nfs/dbraw/zinc/79/37/00/532793700.db2.gz BYTPIJHBMWJESR-LBPRGKRZSA-N 0 0 398.293 2.283 10 0 GEAERN COC(OC)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000003812304 204019401 /nfs/dbraw/zinc/01/94/01/204019401.db2.gz FWRIGQASSHUNQU-IRXDYDNUSA-N 0 0 376.453 2.398 10 0 GEAERN Cc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1Cl ZINC000004853720 204082876 /nfs/dbraw/zinc/08/28/76/204082876.db2.gz VJPHXAMVCYSOFI-UHFFFAOYSA-N 0 0 390.875 2.250 10 0 GEAERN CCc1ccc(-c2nc(C[S@@](=O)CC(=O)N3CCOCC3)c(C)o2)cc1 ZINC000004668485 204061557 /nfs/dbraw/zinc/06/15/57/204061557.db2.gz MQGRGTCCFWNCSS-SANMLTNESA-N 0 0 376.478 2.320 10 0 GEAERN Cc1cccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000006547187 204183125 /nfs/dbraw/zinc/18/31/25/204183125.db2.gz VCDVFWWRTDOUFT-UHFFFAOYSA-N 0 0 377.491 2.372 10 0 GEAERN CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc3c(c2)CCN3C(C)=O)cc1 ZINC000008599225 204280833 /nfs/dbraw/zinc/28/08/33/204280833.db2.gz KYUDTYIKRYJSAE-UHFFFAOYSA-N 0 0 387.461 2.033 10 0 GEAERN O=C(CN1CCC2(CC1)N=C(c1ccccc1)C(=O)N2)Nc1cc(F)ccc1F ZINC000009526699 204314485 /nfs/dbraw/zinc/31/44/85/204314485.db2.gz IONGKAXITZCRAM-UHFFFAOYSA-N 0 0 398.413 2.315 10 0 GEAERN CC(C)CC(=O)C(=O)N1CCC([C@@]2(CCc3ccccc3)NC(=O)NC2=O)CC1 ZINC000011788259 204353068 /nfs/dbraw/zinc/35/30/68/204353068.db2.gz IIZQLIMSHTWBOU-JOCHJYFZSA-N 0 0 399.491 2.051 10 0 GEAERN CC[C@@H]1CCCCN1S(=O)(=O)c1cc(N2C(=O)CCC2=O)ccc1OC ZINC000012201036 204382949 /nfs/dbraw/zinc/38/29/49/204382949.db2.gz UQUJPUXKECZTPC-CYBMUJFWSA-N 0 0 380.466 2.302 10 0 GEAERN Cc1cc(NC(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2Cl)ccn1 ZINC000012206540 204383430 /nfs/dbraw/zinc/38/34/30/204383430.db2.gz XWMHMPCCCBICGU-UHFFFAOYSA-N 0 0 379.825 2.362 10 0 GEAERN CS(=O)(=O)N1CCC(C(=O)N[C@H](Cc2ccsc2)c2nccs2)CC1 ZINC000012226626 204385443 /nfs/dbraw/zinc/38/54/43/204385443.db2.gz HOVAHHCKZMWWGA-CQSZACIVSA-N 0 0 399.563 2.276 10 0 GEAERN Cc1c([C@H](C)NC(=O)Cn2c(=O)oc3ccccc32)cnn1-c1ccccn1 ZINC000012298467 204391750 /nfs/dbraw/zinc/39/17/50/204391750.db2.gz NRSRCRSAGSGSOZ-ZDUSSCGKSA-N 0 0 377.404 2.361 10 0 GEAERN C=C1C(N2CCC(C(=O)NCC)CC2)=NS(=O)(=O)C1c1ccc(F)cc1 ZINC000015733053 204573969 /nfs/dbraw/zinc/57/39/69/204573969.db2.gz AXWSVOKVGNNVBJ-UHFFFAOYSA-N 0 0 379.457 2.147 10 0 GEAERN O=C(Cn1cc(NC(=O)c2ccco2)cn1)N1CCCC[C@H]1CCn1cccn1 ZINC000020256537 204707980 /nfs/dbraw/zinc/70/79/80/204707980.db2.gz YIKCXAFTDMHSDC-KRWDZBQOSA-N 0 0 396.451 2.396 10 0 GEAERN O=C(NC1CC1)c1cn(CC[C@@H]2CCCCN2C(=O)c2ccc(F)cc2)nn1 ZINC000020235736 204708169 /nfs/dbraw/zinc/70/81/69/204708169.db2.gz KHCRXGGLGDBLHU-KRWDZBQOSA-N 0 0 385.443 2.394 10 0 GEAERN CCC[C@@H](O)CN(CCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000036156573 205007575 /nfs/dbraw/zinc/00/75/75/205007575.db2.gz ORYTUFZKYJLORC-CYBMUJFWSA-N 0 0 379.526 2.473 10 0 GEAERN COCCNC(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)COC)cc1 ZINC000037555871 205028385 /nfs/dbraw/zinc/02/83/85/205028385.db2.gz KBOAORCZGUJALX-UHFFFAOYSA-N 0 0 388.439 2.310 10 0 GEAERN CN1C[C@@H](C(=O)NCc2cccnc2N2CCc3ccccc3C2)CCC1=O ZINC000039405652 205042244 /nfs/dbraw/zinc/04/22/44/205042244.db2.gz IEAFPJAFXKPODS-IBGZPJMESA-N 0 0 378.476 2.129 10 0 GEAERN O=C(CCC(=O)N1CCN(c2nc3cccnc3s2)CC1)NC1CCCC1 ZINC000064955423 205201557 /nfs/dbraw/zinc/20/15/57/205201557.db2.gz XUWNLYQRZXISGV-UHFFFAOYSA-N 0 0 387.509 2.179 10 0 GEAERN CC(C)n1cnc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCCCCC3)C2)c1 ZINC000064958158 205203456 /nfs/dbraw/zinc/20/34/56/205203456.db2.gz MJXDOWHUCRJDMC-INIZCTEOSA-N 0 0 382.530 2.267 10 0 GEAERN O=C(NCCc1csc(C2CCN(C(=O)[C@@H]3CCCO3)CC2)n1)C1CCC1 ZINC000065173418 205215537 /nfs/dbraw/zinc/21/55/37/205215537.db2.gz VITQAYXWKHURAF-KRWDZBQOSA-N 0 0 391.537 2.487 10 0 GEAERN O=C(CN1CCc2ccccc2[C@@H]1C(=O)N1CCCCC1)NCc1ccccn1 ZINC000064611368 205191630 /nfs/dbraw/zinc/19/16/30/205191630.db2.gz SBYVSICINPQFPO-JOCHJYFZSA-N 0 0 392.503 2.310 10 0 GEAERN O=C([C@@H]1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2)N1CCCC1 ZINC000065259823 205225186 /nfs/dbraw/zinc/22/51/86/205225186.db2.gz SQTGQJNWVWEVHD-KRWDZBQOSA-N 0 0 377.510 2.275 10 0 GEAERN COC(=O)c1cccc(NC(=O)[C@@H]2CCCN(c3nnc4ccccn43)C2)c1 ZINC000065312255 205228987 /nfs/dbraw/zinc/22/89/87/205228987.db2.gz RRETZAUVKCQPER-OAHLLOKOSA-N 0 0 379.420 2.371 10 0 GEAERN Cc1ncc(CO)c(-c2nc3c([nH]2)C(=O)NC[C@H](c2ccc(F)cc2)C3)c1O ZINC000065386475 205233164 /nfs/dbraw/zinc/23/31/64/205233164.db2.gz MQOZJXXGZHRLKZ-GFCCVEGCSA-N 0 0 382.395 2.187 10 0 GEAERN CC(C)Cc1cc(C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)nc(N)n1 ZINC000082086911 205385184 /nfs/dbraw/zinc/38/51/84/205385184.db2.gz XBDSOQRKLXOKKU-UHFFFAOYSA-N 0 0 394.479 2.296 10 0 GEAERN COC(=O)c1ccc2c(c1)nc1n2[C@@H](CNC(=O)Cc2ccccc2)COC1 ZINC000096112511 206117287 /nfs/dbraw/zinc/11/72/87/206117287.db2.gz XXLNZSLCAWSLHR-INIZCTEOSA-N 0 0 379.416 2.253 10 0 GEAERN CCCCC[C@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@H]1CCCCCCC(=O)NCCO ZINC000256089760 206150446 /nfs/dbraw/zinc/15/04/46/206150446.db2.gz HLQFDRCTTQBTCE-PBFLXUMISA-N 0 0 397.556 2.499 10 0 GEAERN CCN1CCc2c(C(=O)OC)c(OCCc3ccsc3)cc(=O)n2CC1 ZINC000299755569 206185136 /nfs/dbraw/zinc/18/51/36/206185136.db2.gz BKYZPRVUAIYJRU-UHFFFAOYSA-N 0 0 376.478 2.196 10 0 GEAERN CCOCc1nn2c(nc(COC(=O)c3ccccc3OC)cc2=O)s1 ZINC000041078222 206194606 /nfs/dbraw/zinc/19/46/06/206194606.db2.gz JLCSDSKVLLQQGV-UHFFFAOYSA-N 0 0 375.406 2.053 10 0 GEAERN CCn1c(=O)c(N2CCN(C(=O)c3ccccc3C)CC2)nc2cccnc21 ZINC000064578817 136157023 /nfs/dbraw/zinc/15/70/23/136157023.db2.gz REXRMLAGPOYCHP-UHFFFAOYSA-N 0 0 377.448 2.082 10 0 GEAERN Cn1c2ccccc2nc(N2CCN(C(=O)c3cc(F)cc(F)c3)CC2)c1=O ZINC000065113078 136159122 /nfs/dbraw/zinc/15/91/22/136159122.db2.gz RFHLIAPVDBSJSM-UHFFFAOYSA-N 0 0 384.386 2.174 10 0 GEAERN O=C(NCc1cccnc1)C1CCN(c2cncnc2N2CCCCC2)CC1 ZINC000065226465 136160267 /nfs/dbraw/zinc/16/02/67/136160267.db2.gz BAUFAZMOMLZDHT-UHFFFAOYSA-N 0 0 380.496 2.395 10 0 GEAERN Cn1ncc(NC(=O)c2ccc(Br)o2)c(N2CCCCC2)c1=O ZINC000065307195 136162887 /nfs/dbraw/zinc/16/28/87/136162887.db2.gz PEUXEHATKPMGBL-UHFFFAOYSA-N 0 0 381.230 2.378 10 0 GEAERN O=C(NCc1ccccn1)C1CCN(c2cncnc2N2CCCCC2)CC1 ZINC000065307586 136162946 /nfs/dbraw/zinc/16/29/46/136162946.db2.gz MSLCJQAMRNSDFO-UHFFFAOYSA-N 0 0 380.496 2.395 10 0 GEAERN COc1ccc(Nc2nc(N3CCN(CCO)CC3)nc3ccccc32)cc1 ZINC000072261093 136167780 /nfs/dbraw/zinc/16/77/80/136167780.db2.gz FDQGCIPDLYKCFV-UHFFFAOYSA-N 0 0 379.464 2.496 10 0 GEAERN CCOc1ccccc1CNC(=O)[C@H]1CCc2nc(N3CCOCC3)ncc2C1 ZINC000096310449 136186281 /nfs/dbraw/zinc/18/62/81/136186281.db2.gz BTZIDLSSACRICD-INIZCTEOSA-N 0 0 396.491 2.133 10 0 GEAERN O=C(NCc1ccc2c(c1)OCO2)c1ccc2ncnc(N3CCOCC3)c2c1 ZINC000096400001 136187101 /nfs/dbraw/zinc/18/71/01/136187101.db2.gz AOHGLSBABKABSQ-UHFFFAOYSA-N 0 0 392.415 2.125 10 0 GEAERN COc1ccc(S(=O)(=O)NCc2nccc(N3CCCCC3)n2)cc1C ZINC000224166073 136206430 /nfs/dbraw/zinc/20/64/30/136206430.db2.gz XNIIJVLYLLKSCA-UHFFFAOYSA-N 0 0 376.482 2.262 10 0 GEAERN COc1cccc(CNC(=O)[C@@]2(C)CCCN(C(=O)NC[C@H]3CCCO3)C2)c1 ZINC000035526831 525996646 /nfs/dbraw/zinc/99/66/46/525996646.db2.gz BYTHXFVTQVQUTL-NQIIRXRSSA-N 0 0 389.496 2.302 10 0 GEAERN CSCC[C@@H](C(=O)NCc1ccccc1C(F)(F)F)N1C(=O)C=CC1=O ZINC000583652973 570262674 /nfs/dbraw/zinc/26/26/74/570262674.db2.gz NYFYSDLBRIJTAJ-ZDUSSCGKSA-N 0 0 386.395 2.368 10 0 GEAERN CS(=O)(=O)N1CCC([N@H+](CC(=O)[O-])Cc2ccccc2C(F)(F)F)CC1 ZINC000186695027 570312691 /nfs/dbraw/zinc/31/26/91/570312691.db2.gz GCSVSJPVNOWNLW-UHFFFAOYSA-N 0 0 394.415 2.016 10 0 GEAERN Cc1cccc([C@H]2CCc3nc(C(=O)NCCCN4CCOCC4)cn3C2)c1 ZINC000034898657 570343263 /nfs/dbraw/zinc/34/32/63/570343263.db2.gz SWOZXVZHWBTCJK-IBGZPJMESA-N 0 0 382.508 2.374 10 0 GEAERN CC[C@@H](C(=O)N1CCCCCC1)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O ZINC000035403042 570374611 /nfs/dbraw/zinc/37/46/11/570374611.db2.gz KKCIMYILSOIUSM-SFHVURJKSA-N 0 0 389.471 2.178 10 0 GEAERN O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1nc[nH]n1 ZINC000035684112 570413760 /nfs/dbraw/zinc/41/37/60/570413760.db2.gz JVJKRCYRYOCLOF-UHFFFAOYSA-N 0 0 376.420 2.019 10 0 GEAERN CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](C)O[C@H]1Sc1ccccc1 ZINC000035653003 570556845 /nfs/dbraw/zinc/55/68/45/570556845.db2.gz YPJGKQRQWRZEKO-VVRBALCJSA-N 0 0 382.434 2.319 10 0 in-vitro GEAERN COc1ccc(CNC(=O)[C@@H]2CCCN(c3nc4ccccc4[nH]c3=O)C2)cc1 ZINC000022595208 570728842 /nfs/dbraw/zinc/72/88/42/570728842.db2.gz XJEKTRUGWHLRPZ-MRXNPFEDSA-N 0 0 392.459 2.465 10 0 GEAERN C[C@@H]1Cc2cc(S(=O)(=O)N[C@H]3CCO[C@@H]3c3cnn(C)c3)cc(Cl)c2O1 ZINC000189199921 570747108 /nfs/dbraw/zinc/74/71/08/570747108.db2.gz ZBWAEXTXAYGTQS-TYFHEEPYSA-N 0 0 397.884 2.205 10 0 GEAERN COCCN(C)c1cnn([C@@H]2CCCN(C(=O)c3ccc(C)s3)C2)c(=O)c1 ZINC000583620185 570800884 /nfs/dbraw/zinc/80/08/84/570800884.db2.gz RAACNDHGAWEDPZ-OAHLLOKOSA-N 0 0 390.509 2.173 10 0 GEAERN O=S(=O)(c1cnn(Cc2ccccc2)c1)N1CC[C@H](Oc2cccnc2)C1 ZINC000097015570 570886807 /nfs/dbraw/zinc/88/68/07/570886807.db2.gz MZSZZFDTNCHSQB-SFHVURJKSA-N 0 0 384.461 2.168 10 0 GEAERN O=C(NC1CC1)[C@H]1CN(C(=O)NCc2cccc(F)c2)CC12CCOCC2 ZINC000097096560 570892019 /nfs/dbraw/zinc/89/20/19/570892019.db2.gz UNNPHUSOFZFTJQ-QGZVFWFLSA-N 0 0 375.444 2.043 10 0 GEAERN CO[C@@H]1C[C@@H](CO)N(C(=O)c2scc(Br)c2Br)C1 ZINC000529320302 650702737 /nfs/dbraw/zinc/70/27/37/650702737.db2.gz FXHFKTDXHMEQEU-NKWVEPMBSA-N 0 0 399.104 2.495 10 0 GEAERN CN(C)S(=O)(=O)c1ccccc1CNS(=O)(=O)/C=C/c1ccccc1 ZINC000014101601 642376508 /nfs/dbraw/zinc/37/65/08/642376508.db2.gz ORFQKARTBBRYFW-OUKQBFOZSA-N 0 0 380.491 2.027 10 0 GEAERN CCC[C@@H]([NH2+]CC(=O)Nc1ccc(I)cc1C)C(=O)[O-] ZINC000036840175 642511754 /nfs/dbraw/zinc/51/17/54/642511754.db2.gz GMGPYQBDCCKZOW-GFCCVEGCSA-N 0 0 390.221 2.381 10 0 GEAERN CS(=O)(=O)N1CCCC[C@@H]1C(=O)Oc1ccc(F)cc1Br ZINC000044869228 642583050 /nfs/dbraw/zinc/58/30/50/642583050.db2.gz MVGSHDRVNXQJMU-LLVKDONJSA-N 0 0 380.235 2.308 10 0 GEAERN CCN1CCC[C@H](NS(=O)(=O)c2ccc(I)cc2)C1 ZINC000048841474 642662908 /nfs/dbraw/zinc/66/29/08/642662908.db2.gz SHCNVCMXMCNGFV-LBPRGKRZSA-N 0 0 394.278 2.054 10 0 GEAERN O=S(=O)(CCN1CCC[C@@H]1CCCO)c1ccc(Br)cc1 ZINC000052762867 642727383 /nfs/dbraw/zinc/72/73/83/642727383.db2.gz LGQVOSYJWRAFGD-CQSZACIVSA-N 0 0 376.316 2.460 10 0 GEAERN C[C@@H](CNC(=O)N(C)Cc1csc(Br)c1)N1CCOCC1 ZINC000057483340 642813532 /nfs/dbraw/zinc/81/35/32/642813532.db2.gz WBGUNDLSJRHPGX-NSHDSACASA-N 0 0 376.320 2.373 10 0 GEAERN O=C1N[C@H](c2csc(-c3cccc(Br)c3)n2)N2CCOC[C@H]12 ZINC000093884581 643081480 /nfs/dbraw/zinc/08/14/80/643081480.db2.gz XORHHMJAWTWVJP-OLZOCXBDSA-N 0 0 380.267 2.402 10 0 GEAERN Cc1nn(Cc2ccccc2Cl)c(Cl)c1[C@@H]1NC(=O)[C@@H]2COCCN12 ZINC000093884844 643081613 /nfs/dbraw/zinc/08/16/13/643081613.db2.gz NTLUPYNNIKKLDI-XJKSGUPXSA-N 0 0 381.263 2.376 10 0 GEAERN CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000102812507 643140739 /nfs/dbraw/zinc/14/07/39/643140739.db2.gz FVRGEYJLGSNONO-MFKMUULPSA-N 0 0 385.258 2.470 10 0 GEAERN COc1ccc(S(=O)(=O)N[C@H](CO)c2ccccc2)cc1Br ZINC000102888365 643143574 /nfs/dbraw/zinc/14/35/74/643143574.db2.gz WTLVFYNSTYAZBF-CQSZACIVSA-N 0 0 386.267 2.470 10 0 GEAERN COC[C@H](C)C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000103431269 643164878 /nfs/dbraw/zinc/16/48/78/643164878.db2.gz ICBISQRQYAJQGD-NSHDSACASA-N 0 0 384.274 2.304 10 0 GEAERN Cc1csc([C@H]2CN(CCC(=O)Nc3sccc3C(N)=O)CCO2)n1 ZINC000103473194 643167933 /nfs/dbraw/zinc/16/79/33/643167933.db2.gz OXPLLIYAGWHQBV-GFCCVEGCSA-N 0 0 380.495 2.014 10 0 GEAERN CCn1cnnc1[C@H]1CCCN([C@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000104681894 643187733 /nfs/dbraw/zinc/18/77/33/643187733.db2.gz JYJKZPJQPCTWSK-ZFWWWQNUSA-N 0 0 392.301 2.467 10 0 GEAERN C[C@H](CCc1ccc(Br)cc1)NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000104791405 643194017 /nfs/dbraw/zinc/19/40/17/643194017.db2.gz CIDYGAKVTVZNMV-CZUORRHYSA-N 0 0 384.318 2.400 10 0 GEAERN C[C@H](NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br)C1CC1 ZINC000105014958 643199083 /nfs/dbraw/zinc/19/90/83/643199083.db2.gz SFDJFTLEFLCFLE-VIFPVBQESA-N 0 0 387.299 2.418 10 0 GEAERN Cc1c(C(=O)NC[C@@H]2CN(C)CCO2)cnn1-c1cccc(Br)c1 ZINC000106020367 643217652 /nfs/dbraw/zinc/21/76/52/643217652.db2.gz QFUMQOSJZSTRHP-OAHLLOKOSA-N 0 0 393.285 2.004 10 0 GEAERN O[C@H](COc1ccc(Cl)cc1Cl)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000106189292 643224918 /nfs/dbraw/zinc/22/49/18/643224918.db2.gz YVNPYHCIFHHCFK-LSDHHAIUSA-N 0 0 386.279 2.331 10 0 GEAERN C[C@@H](NC(=O)NCCCN1C(=O)CNC1=O)c1c(Cl)ccc(F)c1Cl ZINC000108442425 643273765 /nfs/dbraw/zinc/27/37/65/643273765.db2.gz HYANMYWNUUVIHO-MRVPVSSYSA-N 0 0 391.230 2.435 10 0 GEAERN CSc1nc2ncnc(N3CCN([C@H](C)c4nc(C)no4)CC3)c2s1 ZINC000108947716 643285836 /nfs/dbraw/zinc/28/58/36/643285836.db2.gz DSCVZPPONNTANO-SECBINFHSA-N 0 0 377.499 2.383 10 0 GEAERN CC(=O)Nc1nc(C(=O)N2CCCN(Cc3csc(C)n3)CC2)cs1 ZINC000109649764 643298946 /nfs/dbraw/zinc/29/89/46/643298946.db2.gz OWKYKPWAHUMTRE-UHFFFAOYSA-N 0 0 379.511 2.215 10 0 GEAERN O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CCO[C@@H](c2nccs2)C1 ZINC000110880647 643322062 /nfs/dbraw/zinc/32/20/62/643322062.db2.gz LASFUQGRWVFYEX-CYBMUJFWSA-N 0 0 386.882 2.170 10 0 GEAERN Cc1ncc(CN2CCN(Cn3nc(-c4cccs4)oc3=O)CC2)s1 ZINC000111165020 643328038 /nfs/dbraw/zinc/32/80/38/643328038.db2.gz OFKSANGYGQQASM-UHFFFAOYSA-N 0 0 377.495 2.105 10 0 GEAERN CSc1ccc(S(=O)(=O)N2CCN([C@H](C)c3nc(C)no3)CC2)cc1 ZINC000111344431 643334722 /nfs/dbraw/zinc/33/47/22/643334722.db2.gz PAMALLCKJGPZRT-GFCCVEGCSA-N 0 0 382.511 2.167 10 0 GEAERN O=c1ccc2cc(S(=O)(=O)N3CCO[C@H](c4nccs4)C3)ccc2o1 ZINC000111343538 643334755 /nfs/dbraw/zinc/33/47/55/643334755.db2.gz LVXGONBPCZLVSI-AWEZNQCLSA-N 0 0 378.431 2.012 10 0 GEAERN Cc1noc([C@H](C)N2CCN(S(=O)(=O)c3ccc(Cl)cc3C)CC2)n1 ZINC000111344541 643335341 /nfs/dbraw/zinc/33/53/41/643335341.db2.gz DLRFVAPMUVKQKR-LBPRGKRZSA-N 0 0 384.889 2.407 10 0 GEAERN Cc1noc([C@H](C)N2CCN(S(=O)(=O)c3ccc(C)cc3Cl)CC2)n1 ZINC000111344600 643335392 /nfs/dbraw/zinc/33/53/92/643335392.db2.gz NPUITOHVTCBZFS-LBPRGKRZSA-N 0 0 384.889 2.407 10 0 GEAERN Cc1noc([C@H](C)N2CCN(S(=O)(=O)c3ccc(Cl)cc3F)CC2)n1 ZINC000111344511 643335502 /nfs/dbraw/zinc/33/55/02/643335502.db2.gz RCCWHMIFAGVYKH-JTQLQIEISA-N 0 0 388.852 2.238 10 0 GEAERN CCOCCN1CCN(C(=O)c2[nH]nc(C(C)C)c2Br)C[C@H]1C ZINC000117282642 643485660 /nfs/dbraw/zinc/48/56/60/643485660.db2.gz NBHXUSAVZVASCW-GFCCVEGCSA-N 0 0 387.322 2.478 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)c2ccc(Br)s2)C[C@@H]1C ZINC000117369172 643489466 /nfs/dbraw/zinc/48/94/66/643489466.db2.gz MKAJUOUNNLMOGU-NSHDSACASA-N 0 0 397.360 2.242 10 0 GEAERN CC[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCN1CCOC ZINC000117371906 643490122 /nfs/dbraw/zinc/49/01/22/643490122.db2.gz HMCWRXUSUUAWJJ-AWEZNQCLSA-N 0 0 380.432 2.437 10 0 GEAERN Cc1cnn(CCNC(=O)NCC(=O)Nc2ccc(Br)cc2C)c1 ZINC000118053807 643504124 /nfs/dbraw/zinc/50/41/24/643504124.db2.gz ULDUASWEGKOCEJ-UHFFFAOYSA-N 0 0 394.273 2.200 10 0 GEAERN C[C@H](CNC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000118467266 643513624 /nfs/dbraw/zinc/51/36/24/643513624.db2.gz OJJXRYUBZXCENL-IAQYHMDHSA-N 0 0 376.284 2.047 10 0 GEAERN COC(=O)[C@@H](O)C1CCN(C(=O)N[C@@H](C)c2ccccc2Br)CC1 ZINC000120073642 643590501 /nfs/dbraw/zinc/59/05/01/643590501.db2.gz AADNFIGIBZXABA-NHYWBVRUSA-N 0 0 399.285 2.466 10 0 GEAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCc1ccc(Cl)s1 ZINC000120408841 643605225 /nfs/dbraw/zinc/60/52/25/643605225.db2.gz LZQUHOKCCNSCAX-JTQLQIEISA-N 0 0 397.909 2.187 10 0 GEAERN O=C(NCC[S@](=O)Cc1ccccc1)N1CCO[C@H](c2nccs2)C1 ZINC000120430102 643606562 /nfs/dbraw/zinc/60/65/62/643606562.db2.gz FCMUYRRFKYDSSB-ODCWNRFASA-N 0 0 379.507 2.175 10 0 GEAERN C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(SC(F)(F)F)cc2)C[C@@H]1C ZINC000122350849 643653678 /nfs/dbraw/zinc/65/36/78/643653678.db2.gz XXHWGVIHEINEMA-NWDGAFQWSA-N 0 0 398.472 2.374 10 0 GEAERN COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(C)c2)C[C@@H]1C ZINC000122362523 643653698 /nfs/dbraw/zinc/65/36/98/643653698.db2.gz MIHYIRXCUPNHHV-CMPLNLGQSA-N 0 0 376.272 2.187 10 0 GEAERN Cc1cc(S(=O)(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c(Cl)cc1F ZINC000123445976 643671153 /nfs/dbraw/zinc/67/11/53/643671153.db2.gz ZIYRXQQJYJNZHO-SWLSCSKDSA-N 0 0 376.881 2.129 10 0 GEAERN CCCc1csc(NC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)n1 ZINC000126692162 643742488 /nfs/dbraw/zinc/74/24/88/643742488.db2.gz KVBVUOHYRZKHMY-SNVBAGLBSA-N 0 0 378.479 2.161 10 0 GEAERN O=C(COc1ccc(Br)cc1)N1CCC[C@H](Cn2cncn2)C1 ZINC000127360870 643772759 /nfs/dbraw/zinc/77/27/59/643772759.db2.gz JOWDDEWEJDKWAD-ZDUSSCGKSA-N 0 0 379.258 2.358 10 0 GEAERN O=C(NCC1CCS(=O)(=O)CC1)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000128125926 643792898 /nfs/dbraw/zinc/79/28/98/643792898.db2.gz MAJDWJJXKDDZPS-AWEZNQCLSA-N 0 0 378.416 2.284 10 0 GEAERN O=C(NCC1CCS(=O)(=O)CC1)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000128126120 643792971 /nfs/dbraw/zinc/79/29/71/643792971.db2.gz MAJDWJJXKDDZPS-CQSZACIVSA-N 0 0 378.416 2.284 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1ccc(Br)c(C)n1)CC2 ZINC000128578943 643805298 /nfs/dbraw/zinc/80/52/98/643805298.db2.gz UMNPCFWPQIFDKN-SNVBAGLBSA-N 0 0 379.262 2.443 10 0 GEAERN CCN(CC)C(=O)C(=O)Nc1cc(F)c(Br)cc1C(=O)OC ZINC000130722524 643848017 /nfs/dbraw/zinc/84/80/17/643848017.db2.gz BWQXCUWPMBQGRP-UHFFFAOYSA-N 0 0 375.194 2.182 10 0 GEAERN O=C(C(=O)N1CCO[C@@H](c2nccs2)C1)N1CCc2c1cccc2Cl ZINC000130780143 643850434 /nfs/dbraw/zinc/85/04/34/643850434.db2.gz JDIYARCHPJCGTP-CQSZACIVSA-N 0 0 377.853 2.286 10 0 GEAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3cccnc3Br)CCO2)n1 ZINC000135471138 643914500 /nfs/dbraw/zinc/91/45/00/643914500.db2.gz VQSLPFRCFNSUTJ-ZDUSSCGKSA-N 0 0 379.258 2.199 10 0 GEAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000151089354 643930213 /nfs/dbraw/zinc/93/02/13/643930213.db2.gz ZRCFGEWSVLMQBH-ZDUSSCGKSA-N 0 0 382.873 2.162 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1ccc(C)nc1Br)CC2 ZINC000151311761 643936401 /nfs/dbraw/zinc/93/64/01/643936401.db2.gz CPSSTVDLAOZPPG-JTQLQIEISA-N 0 0 379.262 2.443 10 0 GEAERN C[C@H](C(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1)N1CCSCC1 ZINC000153325585 643985604 /nfs/dbraw/zinc/98/56/04/643985604.db2.gz WGLZPSWDHZVMGZ-OAGGEKHMSA-N 0 0 383.583 2.063 10 0 GEAERN CN(Cc1cc(Br)cn1C)C(=O)[C@@H](Cc1ccccc1)NC(N)=O ZINC000153581001 643995110 /nfs/dbraw/zinc/99/51/10/643995110.db2.gz MHEVTXDMMLXVSG-OAHLLOKOSA-N 0 0 393.285 2.026 10 0 GEAERN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C)CCS(C)(=O)=O ZINC000153870803 644009215 /nfs/dbraw/zinc/00/92/15/644009215.db2.gz CFSFMOYJIPUXBL-DOMZBBRYSA-N 0 0 388.917 2.034 10 0 GEAERN CCc1nn(C)c(Cl)c1CN1CCN(S(=O)(=O)CCCCCl)CC1 ZINC000154243833 644028200 /nfs/dbraw/zinc/02/82/00/644028200.db2.gz ATNWAEJJXRYGDU-UHFFFAOYSA-N 0 0 397.372 2.102 10 0 GEAERN CCc1nnc([C@H]2CN(S(=O)(=O)Cc3ccc(F)c(Cl)c3)CCO2)[nH]1 ZINC000155579690 644075914 /nfs/dbraw/zinc/07/59/14/644075914.db2.gz URBYMYOQRBTEHO-CYBMUJFWSA-N 0 0 388.852 2.063 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ncc(Br)cc1C ZINC000156463922 644097459 /nfs/dbraw/zinc/09/74/59/644097459.db2.gz NGTUAAANKQUUJL-GFCCVEGCSA-N 0 0 390.303 2.295 10 0 GEAERN CC(C)[C@@H](O)CC(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000156552546 644102593 /nfs/dbraw/zinc/10/25/93/644102593.db2.gz YIEUKMTWOLUTAJ-AWEZNQCLSA-N 0 0 398.301 2.428 10 0 GEAERN C[C@H]1CN(C(=O)C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)CCS1 ZINC000156584423 644105341 /nfs/dbraw/zinc/10/53/41/644105341.db2.gz OLVCNKMPRFMANE-LBPRGKRZSA-N 0 0 378.885 2.487 10 0 GEAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cccc(Br)c1 ZINC000157070336 644129151 /nfs/dbraw/zinc/12/91/51/644129151.db2.gz KARSBKKCQVVCHG-GFCCVEGCSA-N 0 0 385.287 2.416 10 0 GEAERN COCc1c(Br)cccc1NC(=O)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000158533594 644148777 /nfs/dbraw/zinc/14/87/77/644148777.db2.gz ODFMNNFJDVGINM-NHYWBVRUSA-N 0 0 399.285 2.201 10 0 GEAERN COCc1c(Br)cccc1NC(=O)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000158534008 644148824 /nfs/dbraw/zinc/14/88/24/644148824.db2.gz ODFMNNFJDVGINM-IAQYHMDHSA-N 0 0 399.285 2.201 10 0 GEAERN CC(C)[C@@H](O)CC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000158631225 644152981 /nfs/dbraw/zinc/15/29/81/644152981.db2.gz NNRLWSDXRDGICE-HNNXBMFYSA-N 0 0 383.286 2.141 10 0 GEAERN C[C@@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)c1ccc(F)c(Cl)c1 ZINC000161161038 644208721 /nfs/dbraw/zinc/20/87/21/644208721.db2.gz CINQOBDPOCXHOZ-LLVKDONJSA-N 0 0 378.853 2.213 10 0 GEAERN CCc1nnc(CS(=O)(=O)c2nnc(-c3cccs3)n2C2CC2)n1C ZINC000162559820 644239370 /nfs/dbraw/zinc/23/93/70/644239370.db2.gz DUJWYKYHBGVPFT-UHFFFAOYSA-N 0 0 378.483 2.006 10 0 GEAERN C[C@@H](NC(=O)Nc1ccc(Br)nc1)c1ccc(S(N)(=O)=O)cc1 ZINC000166321016 644274338 /nfs/dbraw/zinc/27/43/38/644274338.db2.gz VXQWHLIBHKGLHE-SECBINFHSA-N 0 0 399.270 2.374 10 0 GEAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000166748525 644277821 /nfs/dbraw/zinc/27/78/21/644277821.db2.gz FMCJPDCNMNUOOJ-LLVKDONJSA-N 0 0 377.750 2.034 10 0 GEAERN CNS(=O)(=O)c1cc(C(=O)O[C@H](c2nc(C)cs2)C(F)(F)F)co1 ZINC000166904403 644279262 /nfs/dbraw/zinc/27/92/62/644279262.db2.gz XDZOJEUCDAHIOC-SECBINFHSA-N 0 0 384.357 2.413 10 0 GEAERN C[C@@H]1CN(C(=O)NCCNC(=O)c2ccc(Br)cc2)CCS1 ZINC000171430329 644321904 /nfs/dbraw/zinc/32/19/04/644321904.db2.gz JAQZVDKYAVUHSD-LLVKDONJSA-N 0 0 386.315 2.326 10 0 GEAERN C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CCS1 ZINC000171580587 644328398 /nfs/dbraw/zinc/32/83/98/644328398.db2.gz LRVUXRZGWRZSOD-ZDUSSCGKSA-N 0 0 380.491 2.336 10 0 GEAERN Cc1ccc(NC(=O)CN2CC[C@H](N3CCOCC3)C2)c(Br)c1 ZINC000172806424 644344602 /nfs/dbraw/zinc/34/46/02/644344602.db2.gz QPVOZLJOJQEQMG-AWEZNQCLSA-N 0 0 382.302 2.103 10 0 GEAERN Brc1csc(-c2noc(CN3CC[C@@H](N4CCOCC4)C3)n2)c1 ZINC000172806506 644344827 /nfs/dbraw/zinc/34/48/27/644344827.db2.gz OPRKNURLDBXQJW-GFCCVEGCSA-N 0 0 399.314 2.467 10 0 GEAERN Brc1cc2c(cc1CN1CC[C@H](N3CCOCC3)C1)OCCO2 ZINC000172805802 644344872 /nfs/dbraw/zinc/34/48/72/644344872.db2.gz NUEOBAYESRZNED-AWEZNQCLSA-N 0 0 383.286 2.127 10 0 GEAERN C[C@@H](COCc1ccccc1)NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000173431586 644358030 /nfs/dbraw/zinc/35/80/30/644358030.db2.gz QJDYWOPPMFNHSO-LBPRGKRZSA-N 0 0 382.869 2.323 10 0 GEAERN CC[C@H](O)C[NH+]1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000174086579 644369173 /nfs/dbraw/zinc/36/91/73/644369173.db2.gz UUSWBCIKRZJUAG-GJZGRUSLSA-N 0 0 377.312 2.122 10 0 GEAERN C[C@H](OC(=O)c1ccc(Br)c(S(C)(=O)=O)c1)[C@H]1CCOC1 ZINC000175259044 644387513 /nfs/dbraw/zinc/38/75/13/644387513.db2.gz DORGMQPMSNLGQC-ONGXEEELSA-N 0 0 377.256 2.434 10 0 GEAERN C[C@@H](NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)c1ccc(F)c(Cl)c1 ZINC000175792712 644393498 /nfs/dbraw/zinc/39/34/98/644393498.db2.gz LIIWAAOCOITDEJ-RFAUZJTJSA-N 0 0 383.832 2.386 10 0 GEAERN Cc1csc([C@@H](OC(=O)C2CCN(S(C)(=O)=O)CC2)C(F)(F)F)n1 ZINC000175987570 644395541 /nfs/dbraw/zinc/39/55/41/644395541.db2.gz SYDKIMIVRNYVDR-SNVBAGLBSA-N 0 0 386.417 2.270 10 0 GEAERN CCc1nn(C)c(Cl)c1CN1CCN(S(=O)(=O)CC2CCCC2)CC1 ZINC000178342541 644433010 /nfs/dbraw/zinc/43/30/10/644433010.db2.gz RNQCXYXHCCQTFK-UHFFFAOYSA-N 0 0 388.965 2.274 10 0 GEAERN NC(=O)[C@@H]1COCCN1Cc1csc(-c2ccc(Br)cc2)n1 ZINC000179720864 644471884 /nfs/dbraw/zinc/47/18/84/644471884.db2.gz HDYQDEWCXMMYPT-ZDUSSCGKSA-N 0 0 382.283 2.259 10 0 GEAERN CC(C)CS(=O)(=O)CCC(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000180119986 644489557 /nfs/dbraw/zinc/48/95/57/644489557.db2.gz RWOYFWUBWAJOLF-CJNGLKHVSA-N 0 0 375.437 2.060 10 0 GEAERN CC(C)c1nnc2n1C[C@H](NS(=O)(=O)c1ccc(Br)cc1)CC2 ZINC000181734304 644946068 /nfs/dbraw/zinc/94/60/68/644946068.db2.gz VLHZCKUPBFAOIV-GFCCVEGCSA-N 0 0 399.314 2.457 10 0 GEAERN C[C@@H](NCC(=O)NCC(C)(C)N1CCOCC1)c1ccccc1Br ZINC000181865555 644950033 /nfs/dbraw/zinc/95/00/33/644950033.db2.gz KWVAPBMBFSJOPZ-CQSZACIVSA-N 0 0 398.345 2.327 10 0 GEAERN Cc1noc([C@H](C)N2CCN(C(=O)c3cccc(Br)n3)CC2)n1 ZINC000182613258 644965743 /nfs/dbraw/zinc/96/57/43/644965743.db2.gz AKPZCVOLFDKYCF-JTQLQIEISA-N 0 0 380.246 2.055 10 0 GEAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cccc(Br)n2)ncn1 ZINC000182763876 644970953 /nfs/dbraw/zinc/97/09/53/644970953.db2.gz ZKMQKVKBOGYHKA-NSHDSACASA-N 0 0 391.273 2.075 10 0 GEAERN CCO[C@H]1C[C@@H](NS(=O)(=O)c2ccc(F)c(F)c2F)C12CCOCC2 ZINC000185155964 645037498 /nfs/dbraw/zinc/03/74/98/645037498.db2.gz XVYOSYXDTYPPMU-OLZOCXBDSA-N 0 0 379.400 2.356 10 0 GEAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)Cc2cccc(Br)c2)CC1 ZINC000186647318 645070844 /nfs/dbraw/zinc/07/08/44/645070844.db2.gz BUYFIOOFSSUJAY-HNNXBMFYSA-N 0 0 383.286 2.389 10 0 GEAERN COc1cc(Br)ccc1CNC(=O)N[C@H]1CCCn2ncnc21 ZINC000187026117 645079126 /nfs/dbraw/zinc/07/91/26/645079126.db2.gz VPCOVDHPTHVFNI-LBPRGKRZSA-N 0 0 380.246 2.384 10 0 GEAERN CCS(=O)(=O)c1c(Cl)cccc1CN1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000187077694 645083027 /nfs/dbraw/zinc/08/30/27/645083027.db2.gz YSGSWJKTGKJTAA-CQSZACIVSA-N 0 0 384.889 2.134 10 0 GEAERN O=C(NC1CN(C(=O)NCCc2ccc(F)c(Br)c2)C1)C1CC1 ZINC000190374340 645154926 /nfs/dbraw/zinc/15/49/26/645154926.db2.gz DZYPNHRTUPPLGH-UHFFFAOYSA-N 0 0 384.249 2.051 10 0 GEAERN Cc1cc(NC(=O)C(=O)N[C@H]2COc3ccccc32)ncc1Br ZINC000193137663 645245428 /nfs/dbraw/zinc/24/54/28/645245428.db2.gz KTONMTFCXNMOFA-LBPRGKRZSA-N 0 0 376.210 2.341 10 0 GEAERN CC[C@H]1CN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)CCN1CCOC ZINC000194326528 645322119 /nfs/dbraw/zinc/32/21/19/645322119.db2.gz UUEHVUXDKOZSLH-RDJZCZTQSA-N 0 0 397.313 2.322 10 0 GEAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cc(F)cc(Br)c1 ZINC000194517342 645329936 /nfs/dbraw/zinc/32/99/36/645329936.db2.gz NHKIKNNFTBQLPA-HNNXBMFYSA-N 0 0 394.244 2.484 10 0 GEAERN CN1CCO[C@H](CNC(=O)COc2ccc3cc(Br)ccc3c2)C1 ZINC000194751108 645347331 /nfs/dbraw/zinc/34/73/31/645347331.db2.gz CPKRRGQGVJSOGC-QGZVFWFLSA-N 0 0 393.281 2.428 10 0 GEAERN COC(=O)Cc1csc(NC(=O)CN2CCCC[C@@H]2c2nccs2)n1 ZINC000195360136 645374467 /nfs/dbraw/zinc/37/44/67/645374467.db2.gz GHXUFKYQNBYOHA-GFCCVEGCSA-N 0 0 380.495 2.481 10 0 GEAERN Cc1ccc([C@H](C)NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)o1 ZINC000198924131 645383245 /nfs/dbraw/zinc/38/32/45/645383245.db2.gz QQDBJQGXTMKREA-LBPRGKRZSA-N 0 0 384.479 2.161 10 0 GEAERN Cn1cnnc1[C@@H]1CCCN1C[C@@H](O)COc1cccc(Br)c1 ZINC000245753797 645467977 /nfs/dbraw/zinc/46/79/77/645467977.db2.gz ZEWHTKFXIMZHPH-HIFRSBDPSA-N 0 0 381.274 2.154 10 0 GEAERN C[C@H](C(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1)N1CCSCC1 ZINC000246352672 645480801 /nfs/dbraw/zinc/48/08/01/645480801.db2.gz WGLZPSWDHZVMGZ-BZUAXINKSA-N 0 0 383.583 2.063 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H](C)Oc1cccc(Cl)c1 ZINC000246584733 645485825 /nfs/dbraw/zinc/48/58/25/645485825.db2.gz AJDJVZFYWXKQKN-BBRMVZONSA-N 0 0 388.917 2.428 10 0 GEAERN C[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)C[C@H]1C ZINC000246607133 645487039 /nfs/dbraw/zinc/48/70/39/645487039.db2.gz BXCOILIZOBDVCX-DLTLXFJOSA-N 0 0 381.314 2.466 10 0 GEAERN C[C@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C[C@H]1N1CCOCC1 ZINC000246644999 645488066 /nfs/dbraw/zinc/48/80/66/645488066.db2.gz ZWSABOXKUPVKTD-SWLSCSKDSA-N 0 0 378.416 2.137 10 0 GEAERN CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)CCN1C[C@H](C)O ZINC000247053931 645502467 /nfs/dbraw/zinc/50/24/67/645502467.db2.gz NSNXTSXTSNEZBX-AAEUAGOBSA-N 0 0 388.295 2.236 10 0 GEAERN O=C(N[C@H]1CCC(=O)NC1=O)[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000248493058 645529828 /nfs/dbraw/zinc/52/98/28/645529828.db2.gz JSGSUZIGKKMMCW-ZLDLUXBVSA-N 0 0 385.247 2.383 10 0 GEAERN O[C@@H](COc1cc(Cl)ccc1Cl)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000252352924 645565359 /nfs/dbraw/zinc/56/53/59/645565359.db2.gz OGPZYONDJMVETA-HUUCEWRRSA-N 0 0 386.279 2.331 10 0 GEAERN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)S(=O)(=O)/C=C\c1ccccc1 ZINC000255777888 645586025 /nfs/dbraw/zinc/58/60/25/645586025.db2.gz SJVYMRICIGIDPB-NYHXXUGCSA-N 0 0 380.491 2.328 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(F)c(F)cc2Br)C1 ZINC000262254554 645622472 /nfs/dbraw/zinc/62/24/72/645622472.db2.gz DZJHRDZMMMNDTD-UHFFFAOYSA-N 0 0 391.212 2.395 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Cc2cc(Br)ccc2OC)C1 ZINC000262854816 645646758 /nfs/dbraw/zinc/64/67/58/645646758.db2.gz XVGVRVMPPQMYEJ-UHFFFAOYSA-N 0 0 399.285 2.054 10 0 GEAERN Cn1ncc(C(=O)N[C@@H]2CCOc3ccccc32)c1I ZINC000292749247 647209291 /nfs/dbraw/zinc/20/92/91/647209291.db2.gz KAXPRLRMXFFJTJ-LLVKDONJSA-N 0 0 383.189 2.278 10 0 GEAERN C[C@@H]1Cc2cc(S(=O)(=O)NC[C@H]3CCn4ccnc4C3)cc(Cl)c2O1 ZINC000328616776 647311095 /nfs/dbraw/zinc/31/10/95/647311095.db2.gz CAEPIKTXKVIGHX-NEPJUHHUSA-N 0 0 381.885 2.401 10 0 GEAERN CN1C[C@H](CNC(=O)c2ccc(Br)cc2Br)CC1=O ZINC000619002575 652041590 /nfs/dbraw/zinc/04/15/90/652041590.db2.gz WZGLEPIPDGQMKG-QMMMGPOBSA-N 0 0 390.075 2.420 10 0 GEAERN CN(Cc1nccs1)[C@@H]1CC12CCN(S(=O)(=O)c1ccccn1)CC2 ZINC000582074855 652434390 /nfs/dbraw/zinc/43/43/90/652434390.db2.gz VZWVDRSBDGHRKZ-CQSZACIVSA-N 0 0 378.523 2.213 10 0 GEAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccc(Br)cc2)C1 ZINC000702851783 653320376 /nfs/dbraw/zinc/32/03/76/653320376.db2.gz PBMGDZLPSNROSP-OCCSQVGLSA-N 0 0 399.285 2.407 10 0 GEAERN O=C(N[C@H]1CCO[C@@H](c2cccnc2)C1)c1c[nH]nc1I ZINC000897906114 653943379 /nfs/dbraw/zinc/94/33/79/653943379.db2.gz TVHYBAVHEHNJRD-CMPLNLGQSA-N 0 0 398.204 2.059 10 0 GEAERN Cn1cc(S(=O)(=O)NC[C@@H]2OCCc3sc(F)cc32)c(C(F)(F)F)n1 ZINC000886040560 653965694 /nfs/dbraw/zinc/96/56/94/653965694.db2.gz QGVASSPDRMVGIF-QMMMGPOBSA-N 0 0 399.391 2.232 10 0 GEAERN O=C(CN1CSCCSC1)NCc1nnc2n1CCC[C@@H]2C(F)(F)F ZINC000901243055 654116700 /nfs/dbraw/zinc/11/67/00/654116700.db2.gz WUSALDBPDLQWLM-JTQLQIEISA-N 0 0 395.476 2.031 10 0 GEAERN C[C@@H](O)CN1CCN(C(=O)Nc2c(Cl)n(C)nc2C(F)(F)F)C[C@H]1C ZINC000889196305 654129266 /nfs/dbraw/zinc/12/92/66/654129266.db2.gz LJYDZIWYSTWBHI-RKDXNWHRSA-N 0 0 383.802 2.011 10 0 GEAERN C[C@@H]1OCC[C@H]1NC(=O)c1cnn(C(C)(C)C)c1I ZINC000889778009 654172489 /nfs/dbraw/zinc/17/24/89/654172489.db2.gz OPFGHRUTFOTXGV-WCBMZHEXSA-N 0 0 377.226 2.150 10 0 GEAERN O=C(c1ccccc1)N1CC(=O)N(Cc2cccnc2)C[C@H](OCC2CC2)C1 ZINC000014732046 230890999 /nfs/dbraw/zinc/89/09/99/230890999.db2.gz ADLFOZQFAWWDNS-FQEVSTJZSA-N 0 0 379.460 2.361 10 0 GEAERN CS(=O)(=O)Nc1cc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)ccc1Cl ZINC000151426624 531500138 /nfs/dbraw/zinc/50/01/38/531500138.db2.gz IDNVVIQNHYFRNG-SUMWQHHRSA-N 0 0 386.901 2.479 10 0 GEAERN CCc1csc([C@@H]2CCCN(C(=O)c3coc(S(=O)(=O)NC)c3)C2)n1 ZINC000151784693 531521165 /nfs/dbraw/zinc/52/11/65/531521165.db2.gz FQZZNCKYBADPDG-LLVKDONJSA-N 0 0 383.495 2.226 10 0 GEAERN CN(C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000151941025 531522687 /nfs/dbraw/zinc/52/26/87/531522687.db2.gz QNVSWQHOQWZQAY-RYUDHWBXSA-N 0 0 385.452 2.173 10 0 GEAERN Cc1noc([C@H]2COCCN2C(=O)Cc2cc(F)ccc2Br)n1 ZINC000152803512 531571302 /nfs/dbraw/zinc/57/13/02/531571302.db2.gz QGCSFSAKSQORSN-CYBMUJFWSA-N 0 0 384.205 2.422 10 0 GEAERN Cc1ccc(N2CCCN(C(=O)c3ccncc3Br)CC2)nn1 ZINC000152838278 531574435 /nfs/dbraw/zinc/57/44/35/531574435.db2.gz ZUGWKPBXSJEXSJ-UHFFFAOYSA-N 0 0 376.258 2.295 10 0 GEAERN CCn1cc(CN2CCCN(C(=O)c3ccncc3Br)CC2)cn1 ZINC000152864059 531575483 /nfs/dbraw/zinc/57/54/83/531575483.db2.gz FSJMNDMLNFVWKK-UHFFFAOYSA-N 0 0 392.301 2.409 10 0 GEAERN Cc1ccc(Br)c(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000153100469 531588808 /nfs/dbraw/zinc/58/88/08/531588808.db2.gz GODWYJGAOJWFOO-LBPRGKRZSA-N 0 0 391.269 2.446 10 0 GEAERN Cc1ccc([C@H](CNC(=O)NCCc2cscn2)N2CCOCC2)s1 ZINC000153720690 531606712 /nfs/dbraw/zinc/60/67/12/531606712.db2.gz XWPCYFNVSZLUDQ-HNNXBMFYSA-N 0 0 380.539 2.428 10 0 GEAERN C[C@@H]1CC[C@@H](C(=O)NCCC(=O)N(C)Cc2ccccc2Br)O1 ZINC000153985322 531617380 /nfs/dbraw/zinc/61/73/80/531617380.db2.gz UVFYTVKEPUIMNI-DOMZBBRYSA-N 0 0 383.286 2.481 10 0 GEAERN C[C@@H]1CC[C@H](C(=O)NCCC(=O)N(C)Cc2ccccc2Br)O1 ZINC000153985085 531616274 /nfs/dbraw/zinc/61/62/74/531616274.db2.gz UVFYTVKEPUIMNI-IUODEOHRSA-N 0 0 383.286 2.481 10 0 GEAERN C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)[C@H]1CCCO1 ZINC000027862447 531626826 /nfs/dbraw/zinc/62/68/26/531626826.db2.gz SYMQFEAGOJFTJL-BLLLJJGKSA-N 0 0 386.901 2.422 10 0 GEAERN C[C@H](NC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O)[C@@H]1CCCO1 ZINC000027897622 531627223 /nfs/dbraw/zinc/62/72/23/531627223.db2.gz SWWIHAYNRVIDMO-BHDSKKPTSA-N 0 0 395.253 2.117 10 0 GEAERN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000154849328 531637901 /nfs/dbraw/zinc/63/79/01/531637901.db2.gz QPHNNNQPUZJLSK-MRXNPFEDSA-N 0 0 396.329 2.453 10 0 GEAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Cc1cccc(Br)c1 ZINC000155263159 531670400 /nfs/dbraw/zinc/67/04/00/531670400.db2.gz MFSJEFHYJSSUHC-CYBMUJFWSA-N 0 0 379.258 2.381 10 0 GEAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Cc1ccc(Br)cc1 ZINC000155030136 531652651 /nfs/dbraw/zinc/65/26/51/531652651.db2.gz SCDFQOOUDSHRLZ-CYBMUJFWSA-N 0 0 379.258 2.381 10 0 GEAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(Br)c(O)c1 ZINC000155121742 531658391 /nfs/dbraw/zinc/65/83/91/531658391.db2.gz NKYZAMDBMQDJIU-NSHDSACASA-N 0 0 381.230 2.158 10 0 GEAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc(F)cc1I ZINC000042875528 531673671 /nfs/dbraw/zinc/67/36/71/531673671.db2.gz ZKTFCBFGMUETLS-GFCCVEGCSA-N 0 0 390.196 2.123 10 0 GEAERN O=C(N[C@H]1CCc2ncnn2C1)NC1(c2cccc(Br)c2)CC1 ZINC000155359519 531678278 /nfs/dbraw/zinc/67/82/78/531678278.db2.gz JTBXDSJIWBHEIA-ZDUSSCGKSA-N 0 0 376.258 2.344 10 0 GEAERN CS(=O)(=O)c1ccc(Br)c(C(=O)NC[C@H]2CCCC[C@H]2O)c1 ZINC000155490961 531686517 /nfs/dbraw/zinc/68/65/17/531686517.db2.gz UMTSJXNDHZJJJR-QMTHXVAHSA-N 0 0 390.299 2.134 10 0 GEAERN Cn1cc([C@@H]2[C@@H](C(=O)Nc3cncc(Br)c3)CCC(=O)N2C)cn1 ZINC000155878618 531703293 /nfs/dbraw/zinc/70/32/93/531703293.db2.gz ROGHOXLCXXNENS-DZGCQCFKSA-N 0 0 392.257 2.126 10 0 GEAERN CCS(=O)(=O)NCCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000051462204 531742748 /nfs/dbraw/zinc/74/27/48/531742748.db2.gz UWRVAPNNBWGIAP-SNVBAGLBSA-N 0 0 383.297 2.206 10 0 GEAERN Cc1nnc([C@@H]2CN(c3ccnc4cc(Br)cnc43)CCO2)[nH]1 ZINC000157901303 531757339 /nfs/dbraw/zinc/75/73/39/531757339.db2.gz UUDJLLUYPMNGIR-ZDUSSCGKSA-N 0 0 375.230 2.397 10 0 GEAERN CCN1C[C@@H](C(=O)N[C@@H](CC(=O)OC)c2cccc(Br)c2)CC1=O ZINC000053420735 531761880 /nfs/dbraw/zinc/76/18/80/531761880.db2.gz CMBXGAYVOVQMNN-JSGCOSHPSA-N 0 0 397.269 2.038 10 0 GEAERN C[C@H](NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)c1ccc(F)c(Cl)c1 ZINC000056942761 531815299 /nfs/dbraw/zinc/81/52/99/531815299.db2.gz AJSIJSKEQTXXKQ-JQWIXIFHSA-N 0 0 377.869 2.263 10 0 GEAERN CC(C)c1nc2n(n1)C[C@H](N[C@@H](C(N)=O)c1cccc(Br)c1)CC2 ZINC000162115453 531835044 /nfs/dbraw/zinc/83/50/44/531835044.db2.gz WMWAAHWOKVAOQK-UKRRQHHQSA-N 0 0 392.301 2.295 10 0 GEAERN NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]1c1ccco1 ZINC000162938263 531853093 /nfs/dbraw/zinc/85/30/93/531853093.db2.gz RMODDTSRHRNVSJ-GFCCVEGCSA-N 0 0 384.841 2.323 10 0 GEAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(F)c(Br)cc2F)C1 ZINC000162436501 531843931 /nfs/dbraw/zinc/84/39/31/531843931.db2.gz XOHJTGOWKBMRMI-MRVPVSSYSA-N 0 0 398.225 2.301 10 0 GEAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@H](O)c3cc(Cl)cc(Cl)c3)CCO2)c1 ZINC000164020921 531867102 /nfs/dbraw/zinc/86/71/02/531867102.db2.gz WPTDSJKYQMOIKB-JKSUJKDBSA-N 0 0 384.263 2.459 10 0 GEAERN COC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000163576171 531860571 /nfs/dbraw/zinc/86/05/71/531860571.db2.gz VZLIDIDSSNONKY-LBPRGKRZSA-N 0 0 387.205 2.081 10 0 GEAERN O=C(CSc1cccc(Br)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000163785462 531864434 /nfs/dbraw/zinc/86/44/34/531864434.db2.gz XANDDTONXAQSMN-AWEZNQCLSA-N 0 0 385.327 2.474 10 0 GEAERN O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000168944130 531881331 /nfs/dbraw/zinc/88/13/31/531881331.db2.gz MHBWFEBWGRDDBN-OLZOCXBDSA-N 0 0 381.441 2.197 10 0 GEAERN COC(=O)[C@@H]1C[C@@H]1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000170776195 531891423 /nfs/dbraw/zinc/89/14/23/531891423.db2.gz GXIYHDSPQGMKJT-LSDHHAIUSA-N 0 0 396.281 2.423 10 0 GEAERN COC(=O)[C@@H]1C[C@H]1C(=O)NCCC(=O)Nc1cc(Br)ccc1C ZINC000170773620 531892158 /nfs/dbraw/zinc/89/21/58/531892158.db2.gz NCQDUJHDCHKIPH-VXGBXAGGSA-N 0 0 383.242 2.011 10 0 GEAERN COC(=O)[C@H]1C[C@@H]1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000170761749 531892595 /nfs/dbraw/zinc/89/25/95/531892595.db2.gz ASCGDRKCWILNNH-GJZGRUSLSA-N 0 0 396.281 2.423 10 0 GEAERN CN(Cc1cc(Br)cs1)C(=O)CN1CCC[C@H](n2cncn2)C1 ZINC000171526045 531907571 /nfs/dbraw/zinc/90/75/71/531907571.db2.gz VUJISWALDXUJSF-ZDUSSCGKSA-N 0 0 398.330 2.398 10 0 GEAERN Cn1nccc1C1CCN(C(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000094161382 531931792 /nfs/dbraw/zinc/93/17/92/531931792.db2.gz AREKELFGKAHPBK-UHFFFAOYSA-N 0 0 389.257 2.245 10 0 GEAERN Cc1cnn(C[C@H]2CN(C(=O)c3ccc(Br)cc3O)CCO2)c1 ZINC000112117762 531944945 /nfs/dbraw/zinc/94/49/45/531944945.db2.gz VSMXIQSHMZVJIT-CYBMUJFWSA-N 0 0 380.242 2.201 10 0 GEAERN Cc1cnn(C[C@H]2CN(C(=O)COc3ccc(Br)cc3)CCO2)c1 ZINC000112067632 531945229 /nfs/dbraw/zinc/94/52/29/531945229.db2.gz UINUUAAZJYGVHG-MRXNPFEDSA-N 0 0 394.269 2.260 10 0 GEAERN COc1ccc(CCC(=O)N[C@@H]2CCc3ncnn3C2)cc1Br ZINC000112655972 531949057 /nfs/dbraw/zinc/94/90/57/531949057.db2.gz ZJALRZJTXMMYCZ-GFCCVEGCSA-N 0 0 379.258 2.113 10 0 GEAERN C[C@H](NC(=O)NC[C@@](C)(O)c1cccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000172360911 531950077 /nfs/dbraw/zinc/95/00/77/531950077.db2.gz TYOZJSMMONSURW-YVEFUNNKSA-N 0 0 382.507 2.420 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1cc(Br)ccc1C)CC2 ZINC000114875096 531956936 /nfs/dbraw/zinc/95/69/36/531956936.db2.gz ASVQNWHBGTTYBB-LBPRGKRZSA-N 0 0 399.314 2.205 10 0 GEAERN C[C@](O)(CNC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21)c1ccsc1 ZINC000172597915 531959432 /nfs/dbraw/zinc/95/94/32/531959432.db2.gz WCBOYOLKCYKGNT-YOEHRIQHSA-N 0 0 380.491 2.174 10 0 GEAERN CCn1cc(Br)cc1C(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000172521126 531956168 /nfs/dbraw/zinc/95/61/68/531956168.db2.gz DFPWXMCXKSVKMO-CYBMUJFWSA-N 0 0 378.274 2.459 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nnc(-c2ccsc2)s1 ZINC000120158343 531975418 /nfs/dbraw/zinc/97/54/18/531975418.db2.gz GOEANMMTAOSIBB-NSHDSACASA-N 0 0 386.524 2.409 10 0 GEAERN CCS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H](c3nc(C)cs3)C2)CC1 ZINC000173071435 531984617 /nfs/dbraw/zinc/98/46/17/531984617.db2.gz UDXAJOQEEQSUCQ-OAHLLOKOSA-N 0 0 385.555 2.219 10 0 GEAERN O=C(Nc1cc(Br)cc(C(F)(F)F)c1)C(=O)N1CCC[C@H]1CO ZINC000120912371 532002680 /nfs/dbraw/zinc/00/26/80/532002680.db2.gz NUDNZTGSVXJASY-NSHDSACASA-N 0 0 395.175 2.390 10 0 GEAERN CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@H]2CO)c1 ZINC000121000353 532007084 /nfs/dbraw/zinc/00/70/84/532007084.db2.gz SSNCSOICVXRHMO-ZDUSSCGKSA-N 0 0 385.258 2.158 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)CCc3ccccc3Br)CCO2)[nH]1 ZINC000173543498 532017943 /nfs/dbraw/zinc/01/79/43/532017943.db2.gz UYENNCNLJWJJGY-AWEZNQCLSA-N 0 0 379.258 2.408 10 0 GEAERN CC[C@@H](O)CN1CCN(C(=O)[C@H](C)Oc2cccc(Br)c2)CC1 ZINC000173585801 532021228 /nfs/dbraw/zinc/02/12/28/532021228.db2.gz XTLCPVSCLIVUBK-DZGCQCFKSA-N 0 0 385.302 2.132 10 0 GEAERN COc1ccc(Br)c(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1 ZINC000173818821 532035970 /nfs/dbraw/zinc/03/59/70/532035970.db2.gz LAIGYXTTZQTISF-LRDDRELGSA-N 0 0 383.286 2.250 10 0 GEAERN C[C@H]1CN(C(=O)c2n[nH]c3ccc(Br)cc32)C[C@H]1N1CCOCC1 ZINC000173889302 532040290 /nfs/dbraw/zinc/04/02/90/532040290.db2.gz QMZOHCIYXZYPMG-XHDPSFHLSA-N 0 0 393.285 2.118 10 0 GEAERN C[C@@H](N[C@@H](C(N)=O)c1ccc(Br)cc1F)c1nnc2n1CCCC2 ZINC000174297265 532060107 /nfs/dbraw/zinc/06/01/07/532060107.db2.gz XICMVJXJJFCYCV-YMTOWFKASA-N 0 0 396.264 2.393 10 0 GEAERN CCc1nnc([C@H]2CN(C(=O)c3ccc(Br)c(O)c3)CCO2)[nH]1 ZINC000122371684 532067394 /nfs/dbraw/zinc/06/73/94/532067394.db2.gz QEPGIHRDFDCMPD-GFCCVEGCSA-N 0 0 381.230 2.049 10 0 GEAERN CC[C@H]1CN(C(=O)c2cc(Br)cnc2Cl)CCN1C[C@@H](C)O ZINC000174616783 532072259 /nfs/dbraw/zinc/07/22/59/532072259.db2.gz ZCWLJXMYWWQIBA-PWSUYJOCSA-N 0 0 390.709 2.415 10 0 GEAERN Cc1cc(N2CCC[C@@H](NC(=O)c3coc(Br)c3)C2=O)n(C)n1 ZINC000175009454 532087131 /nfs/dbraw/zinc/08/71/31/532087131.db2.gz OCXUZIHCMNISRN-LLVKDONJSA-N 0 0 381.230 2.009 10 0 GEAERN Cc1cc(N2CCC[C@H](NC(=O)c3sccc3Br)C2=O)n(C)n1 ZINC000175016115 532086422 /nfs/dbraw/zinc/08/64/22/532086422.db2.gz VGSKEOYOIDSLQN-NSHDSACASA-N 0 0 397.298 2.478 10 0 GEAERN Cc1cc(N2CCC[C@H](NC(=O)c3nc(Cl)ccc3Cl)C2=O)n(C)n1 ZINC000175021525 532086581 /nfs/dbraw/zinc/08/65/81/532086581.db2.gz SLEKFSYVLHMIPH-NSHDSACASA-N 0 0 382.251 2.356 10 0 GEAERN C[C@H]1CN(C(=O)COc2ccccc2Br)C[C@H]1N1CCOCC1 ZINC000123125522 532093495 /nfs/dbraw/zinc/09/34/95/532093495.db2.gz CQDUGCLYSBLXEB-DZGCQCFKSA-N 0 0 383.286 2.007 10 0 GEAERN COCCCS(=O)(=O)NCCN1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000175266441 532095905 /nfs/dbraw/zinc/09/59/05/532095905.db2.gz JGUKPXGLSKYKTQ-HNNXBMFYSA-N 0 0 389.587 2.402 10 0 GEAERN COC(=O)c1cc(S(=O)(=O)NCCn2cc(C)cn2)c(Cl)cc1Cl ZINC000175293098 532097699 /nfs/dbraw/zinc/09/76/99/532097699.db2.gz NZNMLKLSJVIMCE-UHFFFAOYSA-N 0 0 392.264 2.263 10 0 GEAERN COC(=O)[C@@H]1CCCCN1CCS(=O)(=O)c1cccc(Br)c1 ZINC000175567687 532108566 /nfs/dbraw/zinc/10/85/66/532108566.db2.gz JXZJBADOHYGZSD-AWEZNQCLSA-N 0 0 390.299 2.250 10 0 GEAERN COC(=O)[C@@H]1CCCN(CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000175630873 532110313 /nfs/dbraw/zinc/11/03/13/532110313.db2.gz OYZSUFHNGZZMLV-GFCCVEGCSA-N 0 0 390.299 2.108 10 0 GEAERN CCc1nnc([C@@H]2CN(S(=O)(=O)Cc3cc(Cl)ccc3F)CCO2)[nH]1 ZINC000124359205 532119796 /nfs/dbraw/zinc/11/97/96/532119796.db2.gz IXKCYIFTTKHPLS-ZDUSSCGKSA-N 0 0 388.852 2.063 10 0 GEAERN C[C@@H]1CN(C(=O)NCc2ccc(Br)s2)C[C@H]1N1CCOCC1 ZINC000175684181 532112005 /nfs/dbraw/zinc/11/20/05/532112005.db2.gz CRFVPXJDIQHVOS-DGCLKSJQSA-N 0 0 388.331 2.373 10 0 GEAERN C[C@@H](NC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cccs1 ZINC000176258719 532131481 /nfs/dbraw/zinc/13/14/81/532131481.db2.gz LVVKYERMSAGCDB-SECBINFHSA-N 0 0 385.433 2.422 10 0 GEAERN C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCS[C@@H](C)C1 ZINC000125215107 532133924 /nfs/dbraw/zinc/13/39/24/532133924.db2.gz URCIEYREBFRMPU-QWRGUYRKSA-N 0 0 396.456 2.336 10 0 GEAERN CC[C@H](NC(=O)N[C@@H](C)c1ccccc1Br)C(=O)N1CCOCC1 ZINC000176349926 532135103 /nfs/dbraw/zinc/13/51/03/532135103.db2.gz SEMADGKAWDDXGI-WFASDCNBSA-N 0 0 398.301 2.447 10 0 GEAERN CC(C)n1nnnc1C[S@](=O)Cc1cc2c(cc1Br)OCO2 ZINC000176499078 532140036 /nfs/dbraw/zinc/14/00/36/532140036.db2.gz PIOXQMBDYWUMHN-JOCHJYFZSA-N 0 0 387.259 2.194 10 0 GEAERN O=C(NCCc1nccs1)[C@H]1CCC[C@@H]1C(=O)NCCc1nccs1 ZINC000127409340 532154144 /nfs/dbraw/zinc/15/41/44/532154144.db2.gz OPVNZVPHPJAMMO-STQMWFEESA-N 0 0 378.523 2.034 10 0 GEAERN Cc1cc(S(=O)(=O)N[C@@H]2CCCn3ncnc32)c(C)cc1Br ZINC000176750416 532148981 /nfs/dbraw/zinc/14/89/81/532148981.db2.gz PBKDQMDQDRNFST-GFCCVEGCSA-N 0 0 385.287 2.471 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(F)cc1Br ZINC000177006736 532158365 /nfs/dbraw/zinc/15/83/65/532158365.db2.gz RGLAPBKULQSOFX-NSHDSACASA-N 0 0 389.250 2.302 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000177002839 532158641 /nfs/dbraw/zinc/15/86/41/532158641.db2.gz PDGFEUYHQAHXKS-JTQLQIEISA-N 0 0 376.360 2.299 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000177005400 532158682 /nfs/dbraw/zinc/15/86/82/532158682.db2.gz UFWWQUAUBMMTHZ-LBPRGKRZSA-N 0 0 376.360 2.299 10 0 GEAERN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CCS(=O)(=O)c1cccc(Br)c1 ZINC000177453695 532171586 /nfs/dbraw/zinc/17/15/86/532171586.db2.gz JAMXHJHSCTVYBC-KBPBESRZSA-N 0 0 398.278 2.174 10 0 GEAERN O=C(N[C@@H]1CCCn2ncnc21)c1cnn(-c2cccc(Br)c2)c1 ZINC000177529709 532174494 /nfs/dbraw/zinc/17/44/94/532174494.db2.gz DYEDTTPCNNXZKY-CQSZACIVSA-N 0 0 387.241 2.491 10 0 GEAERN CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000129238071 532175320 /nfs/dbraw/zinc/17/53/20/532175320.db2.gz LEZJYJPBQCEQDJ-CYBMUJFWSA-N 0 0 383.290 2.019 10 0 GEAERN O=C(Cc1cc2c(cc1Br)OCCO2)N[C@H]1CCCn2ncnc21 ZINC000177574861 532176521 /nfs/dbraw/zinc/17/65/21/532176521.db2.gz JGCUZRSLXRENHB-LBPRGKRZSA-N 0 0 393.241 2.006 10 0 GEAERN O=C(Cc1cc(Br)ccc1F)N1CCO[C@@H](Cn2cccn2)C1 ZINC000132333728 532214037 /nfs/dbraw/zinc/21/40/37/532214037.db2.gz JGGKQHHLRBCEHK-CQSZACIVSA-N 0 0 382.233 2.255 10 0 GEAERN CNC(=O)[C@H](NC(=O)NC[C@@H](C)Oc1ccccc1Br)C(C)C ZINC000178438807 532201917 /nfs/dbraw/zinc/20/19/17/532201917.db2.gz JLMWXKSLHBGPLC-BXUZGUMPSA-N 0 0 386.290 2.286 10 0 GEAERN CNC(=O)[C@H](NC(=O)NC[C@H](C)Oc1ccccc1Br)C(C)C ZINC000178438828 532202138 /nfs/dbraw/zinc/20/21/38/532202138.db2.gz JLMWXKSLHBGPLC-SMDDNHRTSA-N 0 0 386.290 2.286 10 0 GEAERN Cc1ncc(CN2CCN(Cc3cnc(N4CCOCC4)s3)CC2)s1 ZINC000179499345 532232551 /nfs/dbraw/zinc/23/25/51/532232551.db2.gz OGMUFFIGPNWWQI-UHFFFAOYSA-N 0 0 379.555 2.062 10 0 GEAERN Cn1cc(NC(=O)NCc2ccc(CO)c(F)c2)cc(Br)c1=O ZINC000178966422 532219631 /nfs/dbraw/zinc/21/96/31/532219631.db2.gz GDRZLGACQAHZQK-UHFFFAOYSA-N 0 0 384.205 2.101 10 0 GEAERN CC(C)c1nnc2n1C[C@H](N[C@@H](C(N)=O)c1cccc(Br)c1)CC2 ZINC000179220600 532225661 /nfs/dbraw/zinc/22/56/61/532225661.db2.gz VMHBPIUEXJKNEE-UKRRQHHQSA-N 0 0 392.301 2.295 10 0 GEAERN Cc1cnn([C@H]2CCCN(C(=O)C(=O)Nc3cccnc3Br)C2)c1 ZINC000179845237 532246938 /nfs/dbraw/zinc/24/69/38/532246938.db2.gz XWXMWQFGAQPMCP-LBPRGKRZSA-N 0 0 392.257 2.151 10 0 GEAERN C[C@@H](NC(N)=O)C(=O)NCCOc1c(Cl)cc(Br)cc1Cl ZINC000179856256 532247853 /nfs/dbraw/zinc/24/78/53/532247853.db2.gz HJNCLZJSVVATQI-ZCFIWIBFSA-N 0 0 399.072 2.308 10 0 GEAERN Cc1ccc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c(Br)n1 ZINC000179892719 532249137 /nfs/dbraw/zinc/24/91/37/532249137.db2.gz GFDJAAXKRDIQOG-SJCJKPOMSA-N 0 0 396.285 2.245 10 0 GEAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1cc(I)c[nH]1)CC2 ZINC000133538359 532237504 /nfs/dbraw/zinc/23/75/04/532237504.db2.gz BODMLOKOUPKLHR-SNVBAGLBSA-N 0 0 399.236 2.079 10 0 GEAERN CCc1nnc(CS(=O)(=O)c2nccn2-c2cccc(Cl)c2C)n1C ZINC000179620937 532238768 /nfs/dbraw/zinc/23/87/68/532238768.db2.gz MUOWDDKUCZFIDM-UHFFFAOYSA-N 0 0 379.873 2.499 10 0 GEAERN CCc1nnc(CS(=O)(=O)CC(=O)Nc2cccc(Cl)c2Cl)n1C ZINC000180088076 532256703 /nfs/dbraw/zinc/25/67/03/532256703.db2.gz NXQIEICXHDEPOX-UHFFFAOYSA-N 0 0 391.280 2.238 10 0 GEAERN CCn1c(C)nnc1CS(=O)(=O)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000180091247 532256865 /nfs/dbraw/zinc/25/68/65/532256865.db2.gz GSIRSYFJPCZTBJ-UHFFFAOYSA-N 0 0 391.280 2.467 10 0 GEAERN NC(=O)[C@H]1COCCN1C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000180202478 532261157 /nfs/dbraw/zinc/26/11/57/532261157.db2.gz VLTKWRHEMHMYLM-GFCCVEGCSA-N 0 0 386.260 2.443 10 0 GEAERN COc1cc(Br)ccc1CCCNC(=O)N[C@H](C(N)=O)C(C)C ZINC000135560319 532275811 /nfs/dbraw/zinc/27/58/11/532275811.db2.gz SQJNQJDJOGPTRC-AWEZNQCLSA-N 0 0 386.290 2.199 10 0 GEAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2cccnc2Br)CC1 ZINC000135582450 532277124 /nfs/dbraw/zinc/27/71/24/532277124.db2.gz IXNRPZHVTFUVDK-UHFFFAOYSA-N 0 0 392.301 2.152 10 0 GEAERN COc1ccc(S(=O)(=O)N[C@@H]2CCCCC[C@H]2O)cc1Br ZINC000135999445 532282010 /nfs/dbraw/zinc/28/20/10/532282010.db2.gz UHFIJFLHXRJDLQ-CHWSQXEVSA-N 0 0 378.288 2.430 10 0 GEAERN C[C@H](NC(=O)NC[C@H](O)COc1ccccc1Br)[C@H]1CCCO1 ZINC000136967929 532288679 /nfs/dbraw/zinc/28/86/79/532288679.db2.gz NWIKDKFBSCJBKB-SGMGOOAPSA-N 0 0 387.274 2.056 10 0 GEAERN CC(C)n1nnnc1C[S@@](=O)Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000181196032 532292885 /nfs/dbraw/zinc/29/28/85/532292885.db2.gz PQKOTICBRAUQES-VWLOTQADSA-N 0 0 383.840 2.076 10 0 GEAERN CC[C@@H](O)CN1CCN(C(=O)NCCc2ccc(Br)cc2)CC1 ZINC000181781908 532306640 /nfs/dbraw/zinc/30/66/40/532306640.db2.gz CPCFHLNHSFOSEQ-MRXNPFEDSA-N 0 0 384.318 2.090 10 0 GEAERN CS(=O)(=O)CC1(CNC(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000151149918 532306923 /nfs/dbraw/zinc/30/69/23/532306923.db2.gz XTGRKJVNVZZPHL-ZDUSSCGKSA-N 0 0 378.416 2.284 10 0 GEAERN COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1Cl ZINC000137468014 532290373 /nfs/dbraw/zinc/29/03/73/532290373.db2.gz IXNCBRHMMCKEEB-OAHLLOKOSA-N 0 0 383.857 2.386 10 0 GEAERN Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CCOC[C@@H]1C(N)=O ZINC000183361511 532324240 /nfs/dbraw/zinc/32/42/40/532324240.db2.gz UDJSJFKIVNRUII-GFCCVEGCSA-N 0 0 384.219 2.283 10 0 GEAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3cccc(Br)n3)CCO2)n1 ZINC000182613284 532315528 /nfs/dbraw/zinc/31/55/28/532315528.db2.gz LKPKECOSXDHFFZ-ZDUSSCGKSA-N 0 0 379.258 2.199 10 0 GEAERN CNC(=O)[C@@H]1CCCN1C(=O)NCCCc1ccc(Br)cc1OC ZINC000182633591 532315751 /nfs/dbraw/zinc/31/57/51/532315751.db2.gz GJDMELSNERYNST-AWEZNQCLSA-N 0 0 398.301 2.310 10 0 GEAERN Cc1cnc([C@H](C)CNC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)s1 ZINC000182802481 532317823 /nfs/dbraw/zinc/31/78/23/532317823.db2.gz KJMKLHLCYVMIOI-ZYHUDNBSSA-N 0 0 382.511 2.263 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000182965025 532320254 /nfs/dbraw/zinc/32/02/54/532320254.db2.gz SLHYIGUZJGDLGE-CQSZACIVSA-N 0 0 378.416 2.267 10 0 GEAERN CCn1cnnc1[C@H]1CCCN(C(=O)c2ccc(OC)c(Br)n2)C1 ZINC000183049599 532321133 /nfs/dbraw/zinc/32/11/33/532321133.db2.gz QPIKNUCYLSCQLR-NSHDSACASA-N 0 0 394.273 2.484 10 0 GEAERN CC(C)[C@H](NC(=O)Nc1cc(Br)ccc1-n1cccn1)C(N)=O ZINC000185218902 532337215 /nfs/dbraw/zinc/33/72/15/532337215.db2.gz HMOARPUPUVNHRS-ZDUSSCGKSA-N 0 0 380.246 2.266 10 0 GEAERN Cc1cc(N2CCC[C@@H](NC(=O)c3cc(Cl)cc(Cl)n3)C2=O)n(C)n1 ZINC000185656821 532338298 /nfs/dbraw/zinc/33/82/98/532338298.db2.gz GILFTCZUEICVQA-LLVKDONJSA-N 0 0 382.251 2.356 10 0 GEAERN CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)[C@@H]1CNC(=O)C1 ZINC000186296763 532340560 /nfs/dbraw/zinc/34/05/60/532340560.db2.gz QTRCDQNWXBPXCX-ZFWWWQNUSA-N 0 0 383.286 2.039 10 0 GEAERN COC(=O)[C@H]1CCCCN1C(=O)C(=O)Nc1cc(C)cc(Br)c1 ZINC000186619051 532341537 /nfs/dbraw/zinc/34/15/37/532341537.db2.gz DPAYVVYEGWTKSM-CYBMUJFWSA-N 0 0 383.242 2.250 10 0 GEAERN CCS(=O)(=O)c1c(Cl)cccc1CN1CCO[C@H](Cn2cccn2)C1 ZINC000186947814 532342807 /nfs/dbraw/zinc/34/28/07/532342807.db2.gz QTTVFEILLVLEQX-HNNXBMFYSA-N 0 0 383.901 2.231 10 0 GEAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000183748640 532328674 /nfs/dbraw/zinc/32/86/74/532328674.db2.gz PGUIRMWOLSJOLS-LBPRGKRZSA-N 0 0 377.344 2.159 10 0 GEAERN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@@H]1c1ccco1 ZINC000187231012 532343482 /nfs/dbraw/zinc/34/34/82/532343482.db2.gz HHAUTOGJERDMLZ-CYBMUJFWSA-N 0 0 384.479 2.056 10 0 GEAERN CC[C@@H](O)CN1CCN(C(=O)NCc2ccc(Br)c(F)c2)CC1 ZINC000184982495 532336445 /nfs/dbraw/zinc/33/64/45/532336445.db2.gz CTWWQAKFWLDRPZ-CYBMUJFWSA-N 0 0 388.281 2.186 10 0 GEAERN Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@H]1CCCn2ncnc21 ZINC000187874722 532345966 /nfs/dbraw/zinc/34/59/66/532345966.db2.gz ZOUWIECIRURTQO-NSHDSACASA-N 0 0 396.220 2.078 10 0 GEAERN Cc1cc(Cl)c(NC(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)cc1Cl ZINC000188020208 532346428 /nfs/dbraw/zinc/34/64/28/532346428.db2.gz PWVVERJCMPRZCV-UHFFFAOYSA-N 0 0 384.263 2.367 10 0 GEAERN C[C@@H]1C(=O)NCCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000188086289 532346577 /nfs/dbraw/zinc/34/65/77/532346577.db2.gz MHTYUAXGSDLPNN-SNVBAGLBSA-N 0 0 395.232 2.125 10 0 GEAERN CCOc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2O)cc1Br ZINC000188871268 532349896 /nfs/dbraw/zinc/34/98/96/532349896.db2.gz MWCXVHBZVPUDMW-QWHCGFSZSA-N 0 0 385.258 2.206 10 0 GEAERN Cc1[nH]c(=O)c(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)cc1Br ZINC000188900609 532350150 /nfs/dbraw/zinc/35/01/50/532350150.db2.gz LXDRNIIXXIKEES-SNVBAGLBSA-N 0 0 394.273 2.318 10 0 GEAERN CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000189185807 532351166 /nfs/dbraw/zinc/35/11/66/532351166.db2.gz WHYNWJAHNMBJIL-JOYOIKCWSA-N 0 0 375.809 2.321 10 0 GEAERN O=C(NOCc1ccc(F)cc1Br)N[C@H]1CCCn2ncnc21 ZINC000189200623 532351269 /nfs/dbraw/zinc/35/12/69/532351269.db2.gz ITBPFBFWILZARM-LBPRGKRZSA-N 0 0 384.209 2.446 10 0 GEAERN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189443701 532352330 /nfs/dbraw/zinc/35/23/30/532352330.db2.gz ICAGKZGGDFPRAD-NSHDSACASA-N 0 0 393.281 2.395 10 0 GEAERN CC(C)[C@H](NC(=O)C(=O)Nc1cccnc1-c1ccc(Cl)s1)C(N)=O ZINC000189535956 532352620 /nfs/dbraw/zinc/35/26/20/532352620.db2.gz QDHHPXHKTOXXRT-LBPRGKRZSA-N 0 0 380.857 2.028 10 0 GEAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(Br)c(C)cc1C ZINC000190342551 532355580 /nfs/dbraw/zinc/35/55/80/532355580.db2.gz LIQUWMOOIARVTG-ZDUSSCGKSA-N 0 0 383.242 2.168 10 0 GEAERN Cc1cnn(CCNC(=O)C(=O)Nc2cc(C)c(Br)c(C)c2)c1 ZINC000190498264 532356327 /nfs/dbraw/zinc/35/63/27/532356327.db2.gz DTENVSNOXHTBGN-UHFFFAOYSA-N 0 0 379.258 2.326 10 0 GEAERN CN1CCO[C@@H](CNC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)C1 ZINC000190546979 532356755 /nfs/dbraw/zinc/35/67/55/532356755.db2.gz AEASJIJKKVTTPA-KGLIPLIRSA-N 0 0 387.311 2.202 10 0 GEAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000190676586 532357473 /nfs/dbraw/zinc/35/74/73/532357473.db2.gz HFOQMYPVUMDMGZ-MRVPVSSYSA-N 0 0 377.750 2.034 10 0 GEAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000190679331 532357505 /nfs/dbraw/zinc/35/75/05/532357505.db2.gz BVDMJMZSUCZRHF-MRVPVSSYSA-N 0 0 377.750 2.034 10 0 GEAERN O=C(NC1CN(C(=O)NCCOCc2ccc(Cl)cc2Cl)C1)C1CC1 ZINC000187766679 532345464 /nfs/dbraw/zinc/34/54/64/532345464.db2.gz HQADATVJFNPJCV-UHFFFAOYSA-N 0 0 386.279 2.430 10 0 GEAERN COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000192026044 532378630 /nfs/dbraw/zinc/37/86/30/532378630.db2.gz CWSHGJKRIAIWLL-ZDUSSCGKSA-N 0 0 388.852 2.172 10 0 GEAERN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CCCNC(=O)[C@H]1C ZINC000191493983 532361105 /nfs/dbraw/zinc/36/11/05/532361105.db2.gz XRRGWWVQMIDIPM-WDEREUQCSA-N 0 0 386.265 2.439 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Cc1ccc(I)cc1 ZINC000192054527 532381591 /nfs/dbraw/zinc/38/15/91/532381591.db2.gz FIKCYFAIEVXVTC-CYBMUJFWSA-N 0 0 396.232 2.385 10 0 GEAERN Cn1nc(Br)cc1C(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000192156226 532390754 /nfs/dbraw/zinc/39/07/54/532390754.db2.gz UMFFXYCXGYVHPL-LLVKDONJSA-N 0 0 393.289 2.478 10 0 GEAERN O=C(NC1CN(S(=O)(=O)c2ccc(Cl)c(Br)c2)C1)C1CC1 ZINC000192230570 532396932 /nfs/dbraw/zinc/39/69/32/532396932.db2.gz VEJPGQJTTVNLAQ-UHFFFAOYSA-N 0 0 393.690 2.002 10 0 GEAERN CC(C)CCS(=O)(=O)N1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000192232409 532396998 /nfs/dbraw/zinc/39/69/98/532396998.db2.gz IAWBRKNFUWTGEE-INIZCTEOSA-N 0 0 376.563 2.490 10 0 GEAERN CC[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)CCN1C[C@@H](C)O ZINC000192731560 532407217 /nfs/dbraw/zinc/40/72/17/532407217.db2.gz PUVYZHBOORJJCF-OCCSQVGLSA-N 0 0 378.897 2.086 10 0 GEAERN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(I)cn2)o1 ZINC000192838905 532413681 /nfs/dbraw/zinc/41/36/81/532413681.db2.gz FIIAWUONQBJYTR-SECBINFHSA-N 0 0 399.188 2.404 10 0 GEAERN COC(=O)C1CCN(S(=O)(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000193921287 532437557 /nfs/dbraw/zinc/43/75/57/532437557.db2.gz HIAMXGMBRQGTIZ-JTQLQIEISA-N 0 0 378.853 2.260 10 0 GEAERN Cc1csc([C@@H]2CN(S(=O)(=O)Cc3noc4ccccc43)CCO2)n1 ZINC000193949722 532438861 /nfs/dbraw/zinc/43/88/61/532438861.db2.gz AZRUVPBXEFPMKG-HNNXBMFYSA-N 0 0 379.463 2.496 10 0 GEAERN CCc1nnc(C[S@](=O)Cc2cn3cc(Br)ccc3n2)n1C ZINC000194268298 532445556 /nfs/dbraw/zinc/44/55/56/532445556.db2.gz IJGIZPXMOJZDTG-JOCHJYFZSA-N 0 0 382.287 2.237 10 0 GEAERN CC(C)n1ccnc1CS(=O)(=O)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000194422040 532449151 /nfs/dbraw/zinc/44/91/51/532449151.db2.gz KEWITVMYERHZKR-LBPRGKRZSA-N 0 0 381.420 2.180 10 0 GEAERN O=S(=O)(c1cccc2nsnc21)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000194808864 532458636 /nfs/dbraw/zinc/45/86/36/532458636.db2.gz WIQXJIVVQZHDAN-RYUDHWBXSA-N 0 0 381.504 2.149 10 0 GEAERN [O-]c1c(Br)cc(C[NH2+][C@H]2CCOC[C@@H]2O)cc1Br ZINC000628467538 532469589 /nfs/dbraw/zinc/46/95/89/532469589.db2.gz XVGOFUVWKLFBER-QWRGUYRKSA-N 0 0 381.064 2.157 10 0 GEAERN CC(C)n1nnnc1CS(=O)(=O)CC(=O)Nc1cccc(Cl)c1Cl ZINC000195428789 532476774 /nfs/dbraw/zinc/47/67/74/532476774.db2.gz GVERFBFAYIBSEU-UHFFFAOYSA-N 0 0 392.268 2.114 10 0 GEAERN CC(C)n1nnnc1CS(=O)(=O)Cc1csc(Cc2ccccc2)n1 ZINC000195426450 532477126 /nfs/dbraw/zinc/47/71/26/532477126.db2.gz OKVMHMWUAQXRNJ-UHFFFAOYSA-N 0 0 377.495 2.416 10 0 GEAERN CC(C)n1nnnc1CS(=O)(=O)Cc1ccc(F)c(Br)c1 ZINC000195426605 532476232 /nfs/dbraw/zinc/47/62/32/532476232.db2.gz NTCRVIOSDLEPRC-UHFFFAOYSA-N 0 0 377.239 2.271 10 0 GEAERN O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCOC[C@H]1c1nc[nH]n1 ZINC000375192327 532541437 /nfs/dbraw/zinc/54/14/37/532541437.db2.gz MOTIGFJMROTAJT-JTQLQIEISA-N 0 0 396.778 2.239 10 0 GEAERN CCn1cnnc1[C@H]1CCCN([C@@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000245899474 532526305 /nfs/dbraw/zinc/52/63/05/532526305.db2.gz JYJKZPJQPCTWSK-DZGCQCFKSA-N 0 0 392.301 2.467 10 0 GEAERN C[C@H](NC(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)c1ccccc1Br ZINC000245947741 532528471 /nfs/dbraw/zinc/52/84/71/532528471.db2.gz BSGNKQGHHDFIDB-HUBLWGQQSA-N 0 0 398.301 2.445 10 0 GEAERN CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000248156808 532550947 /nfs/dbraw/zinc/55/09/47/532550947.db2.gz RLZVRGPHQPPZIH-ZIAGYGMSSA-N 0 0 378.416 2.090 10 0 GEAERN C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000248896547 532556794 /nfs/dbraw/zinc/55/67/94/532556794.db2.gz VJGIOYGGDNTLNP-UWVGGRQHSA-N 0 0 376.837 2.035 10 0 GEAERN C[C@H](O)CN1CCN(C(=O)C2(c3ccccc3Br)CC2)C[C@H]1C ZINC000249079382 532560764 /nfs/dbraw/zinc/56/07/64/532560764.db2.gz MJCPEYNJTVOSQL-KGLIPLIRSA-N 0 0 381.314 2.394 10 0 GEAERN NCc1nc(CN2CCC(C(=O)Nc3ccccc3Br)CC2)no1 ZINC000261668676 532576150 /nfs/dbraw/zinc/57/61/50/532576150.db2.gz HKPOUKVJKIOOPV-UHFFFAOYSA-N 0 0 394.273 2.142 10 0 GEAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)Nc2ccncc2Br)C1 ZINC000263068151 532614103 /nfs/dbraw/zinc/61/41/03/532614103.db2.gz PMPYTDUDVNCJCC-UHFFFAOYSA-N 0 0 397.273 2.293 10 0 GEAERN C[N@H+](CC(=O)[O-])C1CCN(Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000262889847 532605364 /nfs/dbraw/zinc/60/53/64/532605364.db2.gz GSLWVDQOUJZFAW-UHFFFAOYSA-N 0 0 385.258 2.159 10 0 GEAERN C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262899856 532606419 /nfs/dbraw/zinc/60/64/19/532606419.db2.gz HZVYMSWDHFVRLA-OCCSQVGLSA-N 0 0 386.901 2.064 10 0 GEAERN O=C([C@H]1CC(F)(F)CN1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000263010716 532610961 /nfs/dbraw/zinc/61/09/61/532610961.db2.gz PRWMUPSZPVCMKU-CHWSQXEVSA-N 0 0 375.213 2.346 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2ccc(SC)c(Cl)c2)C1 ZINC000263469562 532626297 /nfs/dbraw/zinc/62/62/97/532626297.db2.gz HHNJJSKCLGLQDN-UHFFFAOYSA-N 0 0 392.930 2.278 10 0 GEAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(Cc2ccc(OC(F)F)c(Cl)c2)CCO1 ZINC000263474905 532626716 /nfs/dbraw/zinc/62/67/16/532626716.db2.gz FDQGTIVCLAOPEX-LBPRGKRZSA-N 0 0 378.803 2.159 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2ccc(Cl)cc2Cl)C1 ZINC000263470988 532626749 /nfs/dbraw/zinc/62/67/49/532626749.db2.gz HSCYSBYNDVIIKC-UHFFFAOYSA-N 0 0 381.281 2.209 10 0 GEAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NS(=O)(=O)Cc2ccccc2Cl)C1 ZINC000263495215 532628004 /nfs/dbraw/zinc/62/80/04/532628004.db2.gz QMHXYROUXINXDU-UHFFFAOYSA-N 0 0 386.901 2.087 10 0 GEAERN CN(C)c1cc(Cl)cc(Cl)c1CN1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000263517443 532628703 /nfs/dbraw/zinc/62/87/03/532628703.db2.gz PGYSSVVZZALHDU-ZDUSSCGKSA-N 0 0 390.311 2.277 10 0 GEAERN O=c1ccnc2sc(N3CCO[C@@H](c4ccc(Br)cc4)C3)nn21 ZINC000301108916 532740219 /nfs/dbraw/zinc/74/02/19/532740219.db2.gz KDXHAXLQVIQEFS-GFCCVEGCSA-N 0 0 393.266 2.491 10 0 GEAERN Cc1cc(Br)cnc1NCCS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000301609195 532756084 /nfs/dbraw/zinc/75/60/84/532756084.db2.gz AVINPSQDXJUNOL-TXEJJXNPSA-N 0 0 392.319 2.003 10 0 GEAERN CN1CCO[C@@H]2CN(c3cnn(-c4ccc(Cl)cc4)c(=O)c3Cl)C[C@H]21 ZINC000301629266 532756436 /nfs/dbraw/zinc/75/64/36/532756436.db2.gz BXKIMVQYAIRNTH-HUUCEWRRSA-N 0 0 381.263 2.059 10 0 GEAERN COC(=O)c1cc(S(N)(=O)=O)ccc1NCc1cc(Cl)c(Cl)n1C ZINC000301657079 532756821 /nfs/dbraw/zinc/75/68/21/532756821.db2.gz SEDYXJGHWIRLHT-UHFFFAOYSA-N 0 0 392.264 2.378 10 0 GEAERN COc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H](c1ccccc1)n1cnnn1)CC3 ZINC000334162047 203784283 /nfs/dbraw/zinc/78/42/83/203784283.db2.gz MUIRRFBXYKOHDM-HXUWFJFHSA-N 0 0 388.431 2.337 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCCN(C)c2ccccc2)C1 ZINC000004056592 204025651 /nfs/dbraw/zinc/02/56/51/204025651.db2.gz BLTLRPYCNDIWTB-QGZVFWFLSA-N 0 0 381.542 2.081 10 0 GEAERN COc1ccc(-c2cn3nc(SCC(=O)N4CCOCC4)ccc3n2)cc1 ZINC000004251177 204034167 /nfs/dbraw/zinc/03/41/67/204034167.db2.gz WNQJLXMMEQOZOJ-UHFFFAOYSA-N 0 0 384.461 2.356 10 0 GEAERN C[C@@H]1C[C@@H](C)CN(C(=O)CCCNS(=O)(=O)c2cccc3nsnc32)C1 ZINC000005013198 204102572 /nfs/dbraw/zinc/10/25/72/204102572.db2.gz INXLUDVRYQPSIW-CHWSQXEVSA-N 0 0 396.538 2.254 10 0 GEAERN CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC(c2ccccc2C)=NO1 ZINC000006872535 204217105 /nfs/dbraw/zinc/21/71/05/204217105.db2.gz TVPQGBIUSKGNDX-WOJBJXKFSA-N 0 0 379.460 2.352 10 0 GEAERN [NH3+][C@H]1CCCCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C1=O ZINC000006524585 204183018 /nfs/dbraw/zinc/18/30/18/204183018.db2.gz BRNUZUNBOKFZOX-ZDUSSCGKSA-N 0 0 391.374 2.157 10 0 GEAERN C[C@H](CNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCCCC2)C1)c1ccccc1 ZINC000006894372 204221694 /nfs/dbraw/zinc/22/16/94/204221694.db2.gz CZGDNPZAUCEFNI-IEBWSBKVSA-N 0 0 393.553 2.349 10 0 GEAERN Cc1ccc(CNC(=O)c2nnn(CC(=O)Nc3ccc(Cl)cc3)c2N)cc1 ZINC000006999322 204228433 /nfs/dbraw/zinc/22/84/33/204228433.db2.gz XPGNQNHQFVFZEA-UHFFFAOYSA-N 0 0 398.854 2.391 10 0 GEAERN Cc1cccc(NC(=O)CN2CCC3(CC2)N=C(c2ccc(F)cc2)C(=O)N3)c1 ZINC000009526810 204314044 /nfs/dbraw/zinc/31/40/44/204314044.db2.gz NBGHFXDGNPCUOR-UHFFFAOYSA-N 0 0 394.450 2.484 10 0 GEAERN O=C(CN1CCC2(CC1)N=C(c1ccccc1)C(=O)N2)Nc1ccc(F)cc1F ZINC000009526698 204314159 /nfs/dbraw/zinc/31/41/59/204314159.db2.gz XHRYAKJJCGANDS-UHFFFAOYSA-N 0 0 398.413 2.315 10 0 GEAERN Cc1csc(NC(=O)[C@@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)n1 ZINC000010554759 204337382 /nfs/dbraw/zinc/33/73/82/204337382.db2.gz ZHZPQHLJAGRTRD-ZDUSSCGKSA-N 0 0 378.479 2.153 10 0 GEAERN C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1C)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000009151644 204299714 /nfs/dbraw/zinc/29/97/14/204299714.db2.gz ZUGMBVDHNCRYAY-UMVBOHGHSA-N 0 0 394.493 2.265 10 0 GEAERN O=C(Cn1nnnc1CN1CCCCCC1)N[C@H](c1ccco1)C(F)(F)F ZINC000011838308 204355449 /nfs/dbraw/zinc/35/54/49/204355449.db2.gz QUJDDUMZDJJQJV-OAHLLOKOSA-N 0 0 386.378 2.062 10 0 GEAERN O=C(c1cn2ccccc2n1)N1CC[C@H]2[C@H](CCC(=O)N2Cc2cccnc2)C1 ZINC000012151006 204376307 /nfs/dbraw/zinc/37/63/07/204376307.db2.gz DMYAXMWYEJVQGH-MJGOQNOKSA-N 0 0 389.459 2.383 10 0 GEAERN Cn1ccc(CC(=O)N2CCC[C@@H]2C(=O)Nc2ccc(-n3cccn3)cc2)c1 ZINC000012443476 204410058 /nfs/dbraw/zinc/41/00/58/204410058.db2.gz YMQGPXIPGVYAFH-LJQANCHMSA-N 0 0 377.448 2.383 10 0 GEAERN O=C(CCN1CCCC1=O)N1CCc2ccc(NC(=O)c3ccncc3)cc2C1 ZINC000012475535 204416028 /nfs/dbraw/zinc/41/60/28/204416028.db2.gz CDZTTYKOYAVSIX-UHFFFAOYSA-N 0 0 392.459 2.231 10 0 GEAERN C[C@H]1CCCN(C(=O)c2ccccc2OC2CCN(S(C)(=O)=O)CC2)C1 ZINC000013659425 204501904 /nfs/dbraw/zinc/50/19/04/204501904.db2.gz VPACCOKGMSLXOH-HNNXBMFYSA-N 0 0 380.510 2.362 10 0 GEAERN CCOCCCNC(=O)CCn1cnc2c(-c3ccc(C)cc3)noc2c1=O ZINC000033128579 204948173 /nfs/dbraw/zinc/94/81/73/204948173.db2.gz BROGBQVZAMCKKE-UHFFFAOYSA-N 0 0 384.436 2.293 10 0 GEAERN Cn1cc(-c2ccccc2)c2c1c(=O)n(C)c1nn(Cc3ccccc3)c(=O)n21 ZINC000033298029 204956063 /nfs/dbraw/zinc/95/60/63/204956063.db2.gz PDRYWDIGIBWNHQ-UHFFFAOYSA-N 0 0 385.427 2.402 10 0 GEAERN CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)c1ccccc1 ZINC000034235344 204969303 /nfs/dbraw/zinc/96/93/03/204969303.db2.gz WHKUKOCUXSRSAR-WHHPXKAQSA-N 0 0 386.400 2.058 10 0 in-vitro GEAERN CC[C@H](C)[C@H]1NC2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N(C)C1=O ZINC000036029162 205002949 /nfs/dbraw/zinc/00/29/49/205002949.db2.gz COLUSIZWBSLZRJ-XJKSGUPXSA-N 0 0 399.944 2.297 10 0 GEAERN CCCNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(OC)cc1 ZINC000039916479 205044943 /nfs/dbraw/zinc/04/49/43/205044943.db2.gz SQXZMVXJEUAZNP-IBGZPJMESA-N 0 0 388.489 2.337 10 0 GEAERN Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N(C)Cc1ccc2c(c1)OCO2 ZINC000049539902 205128567 /nfs/dbraw/zinc/12/85/67/205128567.db2.gz RWZVXWUYNKZAIV-BQYQJAHWSA-N 0 0 379.438 2.065 10 0 GEAERN COC(=O)[C@]1(C)C[C@H](C(=O)N2CCC(O)CC2)[C@H](c2ccc(Cl)cc2)N1C ZINC000055071798 205141566 /nfs/dbraw/zinc/14/15/66/205141566.db2.gz VSVGTKVGRKYOJU-ZWOKBUDYSA-N 0 0 394.899 2.248 10 0 GEAERN O=C(C[C@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1)NCc1ccccc1 ZINC000055042294 205142081 /nfs/dbraw/zinc/14/20/81/205142081.db2.gz FGKHFUJWIJNREF-SFHVURJKSA-N 0 0 389.858 2.486 10 0 GEAERN O=C(C[C@@H]1C(=O)NCCN1C/C=C/c1ccccc1)NCc1ccc(F)cc1 ZINC000055054321 205142246 /nfs/dbraw/zinc/14/22/46/205142246.db2.gz NGGZCZCLGVFOMR-WWPOYFSUSA-N 0 0 381.451 2.346 10 0 GEAERN CCn1c2ccc(-c3noc(-c4cccc(N(C)C)c4)n3)cc2[nH]c(=O)c1=O ZINC000064890652 205199252 /nfs/dbraw/zinc/19/92/52/205199252.db2.gz MBMWUCMIQZPEPH-UHFFFAOYSA-N 0 0 377.404 2.493 10 0 GEAERN O=C(NCCc1cccnc1)[C@H]1CCc2sc(C(=O)N3CCOCC3)cc2C1 ZINC000065272807 205226851 /nfs/dbraw/zinc/22/68/51/205226851.db2.gz TXPWCRKKJIRLLG-INIZCTEOSA-N 0 0 399.516 2.079 10 0 GEAERN COC(=O)c1cccc(NC(=O)C2CCN(c3nnc4ccccn43)CC2)c1 ZINC000065312439 205229053 /nfs/dbraw/zinc/22/90/53/205229053.db2.gz WDKNHLNDRBWBMW-UHFFFAOYSA-N 0 0 379.420 2.371 10 0 GEAERN COc1ccccc1OCCNC(=O)[C@@H]1CCCN(c2nnc3ccccn32)C1 ZINC000065312237 205229419 /nfs/dbraw/zinc/22/94/19/205229419.db2.gz SJMWHIUXUKAIDP-MRXNPFEDSA-N 0 0 395.463 2.150 10 0 GEAERN CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)NCc1ccccn1 ZINC000077455251 205362762 /nfs/dbraw/zinc/36/27/62/205362762.db2.gz ZNHIMIDZQGSBNS-IBGZPJMESA-N 0 0 380.492 2.039 10 0 GEAERN Cn1nc(C(=O)NC[C@H](O)c2ccccc2)c(F)c1NC(=O)c1ccccc1 ZINC000041070567 205614128 /nfs/dbraw/zinc/61/41/28/205614128.db2.gz YVUGWMVWZXGEBG-HNNXBMFYSA-N 0 0 382.395 2.275 10 0 GEAERN Cc1ccccc1OCn1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)n1 ZINC000027972164 206022498 /nfs/dbraw/zinc/02/24/98/206022498.db2.gz KXJUXKSBDPCTTR-UHFFFAOYSA-N 0 0 394.431 2.419 10 0 GEAERN CCn1cc(NC(=O)c2ccc(COc3ccc4c(c3)OCO4)o2)c(C(N)=O)n1 ZINC000028236320 206039800 /nfs/dbraw/zinc/03/98/00/206039800.db2.gz OPHHNAFIQQOXAM-UHFFFAOYSA-N 0 0 398.375 2.155 10 0 GEAERN CC(=O)c1c2n(cc(C)c1=O)[C@](O)(CNc1ccc(Cl)c(Cl)c1)NO2 ZINC000226820200 206098903 /nfs/dbraw/zinc/09/89/03/206098903.db2.gz OIKLSJBIDMZNAF-INIZCTEOSA-N 0 0 384.219 2.278 10 0 GEAERN O=C(NC[C@@H]1CCCN(c2ncccn2)C1)[C@@H]1CC(Cc2ccccc2)=NO1 ZINC000299757132 206184163 /nfs/dbraw/zinc/18/41/63/206184163.db2.gz NCFJBCZVYVKISE-HKUYNNGSSA-N 0 0 379.464 2.197 10 0 GEAERN CC(=O)Nc1ccnn1C1CCN(C(=O)COc2ncnc3ccccc32)CC1 ZINC000011814965 221127740 /nfs/dbraw/zinc/12/77/40/221127740.db2.gz VJPIWTPIRNHFBR-UHFFFAOYSA-N 0 0 394.435 2.027 10 0 GEAERN CC(C)Cc1noc([C@@H](C)NC(=O)c2ccccc2N2CCC(=O)NC2=O)n1 ZINC000063848580 136156468 /nfs/dbraw/zinc/15/64/68/136156468.db2.gz LITABGCAVALVRB-GFCCVEGCSA-N 0 0 385.424 2.205 10 0 GEAERN CCCN1c2cc(C(=O)NCc3ccncc3)ccc2N2C(=O)CC[C@H]2C1=O ZINC000065202238 136160004 /nfs/dbraw/zinc/16/00/04/136160004.db2.gz RZBADGPSYRKDMG-KRWDZBQOSA-N 0 0 378.432 2.264 10 0 GEAERN CCCn1ncc(N2CCC(C(=O)NCc3cc(F)cc(F)c3)CC2)cc1=O ZINC000065311363 136163150 /nfs/dbraw/zinc/16/31/50/136163150.db2.gz LCGHIQXXMKCNNO-UHFFFAOYSA-N 0 0 390.434 2.464 10 0 GEAERN O=C(NCc1ccccc1C(F)(F)F)[C@@H]1CCCN(c2cn[nH]c(=O)c2)C1 ZINC000065313483 136163360 /nfs/dbraw/zinc/16/33/60/136163360.db2.gz WXMOLIZLXWRSKC-CYBMUJFWSA-N 0 0 380.370 2.322 10 0 GEAERN Cc1nc(N2CCOCC2)nc(C)c1NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000224306353 136206723 /nfs/dbraw/zinc/20/67/23/136206723.db2.gz PJGCABQDTRKUFV-UHFFFAOYSA-N 0 0 385.424 2.345 10 0 GEAERN COC(=O)CNC(=O)[C@@H]1COc2ccc(NC(=O)c3cccc(C)c3)cc2C1 ZINC000065082067 222099537 /nfs/dbraw/zinc/09/95/37/222099537.db2.gz RSCQFVMRHVNPTR-INIZCTEOSA-N 0 0 382.416 2.088 10 0 GEAERN COc1ccc([C@H](C)n2c(=O)[nH]c3cc(OC)c(OC)cc3c2=O)cc1OC ZINC000073657960 525343153 /nfs/dbraw/zinc/34/31/53/525343153.db2.gz WNSNPECXAJDZDK-NSHDSACASA-N 0 0 386.404 2.334 10 0 GEAERN Cc1ccc(-c2nnc3sc(SCC(=O)n4ccnc4)nn3c2=O)cc1 ZINC000073711631 525862288 /nfs/dbraw/zinc/86/22/88/525862288.db2.gz DJNIKJGLLPGFQS-UHFFFAOYSA-N 0 0 384.446 2.150 10 0 GEAERN CCCc1nnc(-c2cccnc2N2CCN(C(=O)c3cccn3C)CC2)o1 ZINC000096309108 535549327 /nfs/dbraw/zinc/54/93/27/535549327.db2.gz OVFCNVQYIVRYER-UHFFFAOYSA-N 0 0 380.452 2.385 10 0 GEAERN Cc1ccc(CN2CCN(CC(=O)Nc3ccc(F)cc3)S2(=O)=O)cc1 ZINC000015725737 570220217 /nfs/dbraw/zinc/22/02/17/570220217.db2.gz JBXJICWDLIXWRZ-UHFFFAOYSA-N 0 0 377.441 2.135 10 0 GEAERN O=C(COc1ccc(F)cc1)N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1 ZINC000219452662 570362188 /nfs/dbraw/zinc/36/21/88/570362188.db2.gz GHQDYEJIBUEILT-RTBURBONSA-N 0 0 375.396 2.050 10 0 GEAERN Cc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCC[C@H]2c2ccccn2)c1 ZINC000244828641 570433813 /nfs/dbraw/zinc/43/38/13/570433813.db2.gz UAAVIIWCMQNSKI-SFTDATJTSA-N 0 0 392.503 2.444 10 0 GEAERN CC(C)[NH+]1CCN([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)OCc3ccccc3)C2)CC1 ZINC000536957773 570470531 /nfs/dbraw/zinc/47/05/31/570470531.db2.gz FJIZNOKRRQTMLC-RBUKOAKNSA-N 0 0 389.496 2.124 10 0 GEAERN CS(=O)(=O)Nc1ccc(N2CCC([NH+]3CCCCC3)CC2)c(C(=O)[O-])c1 ZINC000032962145 570543393 /nfs/dbraw/zinc/54/33/93/570543393.db2.gz IGFCHNYXPTXZRP-UHFFFAOYSA-N 0 0 381.498 2.211 10 0 GEAERN COCCCN(Cc1nc2sc(C)c(C)c2c(=O)[nH]1)C[C@H](O)COC(C)C ZINC000036204690 570569052 /nfs/dbraw/zinc/56/90/52/570569052.db2.gz UKEZFXDYDUNRRW-HNNXBMFYSA-N 0 0 397.541 2.226 10 0 GEAERN CCCn1c(CN[C@@H]2CCCN(c3nccn(C)c3=O)C2)nc2ccccc21 ZINC000275713049 570699044 /nfs/dbraw/zinc/69/90/44/570699044.db2.gz YKOFGMSYCBRNEO-MRXNPFEDSA-N 0 0 380.496 2.299 10 0 GEAERN O=C(CC1CCCC1)N1CCN(c2nc(CN3CCOCC3)cs2)CC1 ZINC000065200353 570727031 /nfs/dbraw/zinc/72/70/31/570727031.db2.gz JTFQAHIYSSWLEO-UHFFFAOYSA-N 0 0 378.542 2.204 10 0 GEAERN O=C(Nc1cccc(F)c1)N1NN=C2C(=O)N(Cc3cccc(F)c3)C(=O)[C@H]21 ZINC000102926285 570870483 /nfs/dbraw/zinc/87/04/83/570870483.db2.gz XMAIBWFIJXKJNA-CABCVRRESA-N 0 0 385.330 2.486 10 0 GEAERN O=C(Nc1cccc(F)c1)N1NN=C2C(=O)N(Cc3cccc(F)c3)C(=O)[C@H]21 ZINC000102926282 570870491 /nfs/dbraw/zinc/87/04/91/570870491.db2.gz XMAIBWFIJXKJNA-GJZGRUSLSA-N 0 0 385.330 2.486 10 0 GEAERN COC(=O)CC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1 ZINC000213897602 570900568 /nfs/dbraw/zinc/90/05/68/570900568.db2.gz MMMPGIMOTPAINZ-OAHLLOKOSA-N 0 0 379.409 2.145 10 0 GEAERN COC(=O)CC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1 ZINC000140206378 570947129 /nfs/dbraw/zinc/94/71/29/570947129.db2.gz MMMPGIMOTPAINZ-HNNXBMFYSA-N 0 0 379.409 2.145 10 0 GEAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000029207774 642460306 /nfs/dbraw/zinc/46/03/06/642460306.db2.gz MQJRGPKJHJLFFW-ZYHUDNBSSA-N 0 0 395.308 2.301 10 0 GEAERN CCS(=O)(=O)N1CCC(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000029733380 642467790 /nfs/dbraw/zinc/46/77/90/642467790.db2.gz IKPNGCRMFCDHGW-WCQYABFASA-N 0 0 385.452 2.221 10 0 GEAERN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000041109411 642525978 /nfs/dbraw/zinc/52/59/78/642525978.db2.gz GPAPDCHYVFGQBY-HZPDHXFCSA-N 0 0 386.901 2.374 10 0 GEAERN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@H](C)c2cccs2)c1 ZINC000043545002 642561669 /nfs/dbraw/zinc/56/16/69/642561669.db2.gz SYJGAEIAIAMDFU-GFCCVEGCSA-N 0 0 380.491 2.497 10 0 GEAERN C[C@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1ccc(F)c(Cl)c1 ZINC000055744812 642782068 /nfs/dbraw/zinc/78/20/68/642782068.db2.gz WTUYIAKWKRQAAS-JTQLQIEISA-N 0 0 383.832 2.154 10 0 GEAERN C[C@@H](CNC(=O)NCCc1ccc(F)c(Br)c1)N1CCOCC1 ZINC000057128935 642806497 /nfs/dbraw/zinc/80/64/97/642806497.db2.gz RXEIDUKBBSUBAJ-LBPRGKRZSA-N 0 0 388.281 2.151 10 0 GEAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)/C=C/c2ccc(Br)cc2)C1 ZINC000066911752 642948638 /nfs/dbraw/zinc/94/86/38/642948638.db2.gz OVGCXWVKRFJCNB-HQPKTYMTSA-N 0 0 387.299 2.350 10 0 GEAERN CC(=O)N[C@H]1CCCN(C(=O)NCCOc2ccc(Br)cc2)C1 ZINC000068406100 642995392 /nfs/dbraw/zinc/99/53/92/642995392.db2.gz ZZRHQIZAKOBOLX-AWEZNQCLSA-N 0 0 384.274 2.138 10 0 GEAERN Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1[C@@H]1NC(=O)[C@H]2COCCN21 ZINC000093884350 643081591 /nfs/dbraw/zinc/08/15/91/643081591.db2.gz SEIVQHZYWRWBHB-CZUORRHYSA-N 0 0 381.263 2.376 10 0 GEAERN O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CCO[C@H](c2nccs2)C1 ZINC000093912930 643082609 /nfs/dbraw/zinc/08/26/09/643082609.db2.gz IXHXOPNMCDCHNC-JTQLQIEISA-N 0 0 384.870 2.435 10 0 GEAERN CS(=O)(=O)N[C@H]1C[C@@H]2C[C@H]1N(C(=O)Nc1ccc(C(F)(F)F)cc1)C2 ZINC000096095817 643089254 /nfs/dbraw/zinc/08/92/54/643089254.db2.gz FSIJNKICBUNGBV-JIMOISOXSA-N 0 0 377.388 2.249 10 0 GEAERN CCn1cnnc1[C@@H]1CCCN(CC(=O)Nc2ccc(Br)cn2)C1 ZINC000103476680 643167530 /nfs/dbraw/zinc/16/75/30/643167530.db2.gz LHOMVZBIVDZJRW-GFCCVEGCSA-N 0 0 393.289 2.274 10 0 GEAERN CCCC(=O)N[C@@H]1CCCN([C@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000104682579 643187786 /nfs/dbraw/zinc/18/77/86/643187786.db2.gz GLFBRKPACFBCIR-ZBFHGGJFSA-N 0 0 382.302 2.356 10 0 GEAERN C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000106191653 643224975 /nfs/dbraw/zinc/22/49/75/643224975.db2.gz MKXCFRDYXSNETK-BBRMVZONSA-N 0 0 393.285 2.374 10 0 GEAERN CC(C)n1ccnc1CS(=O)(=O)CC(=O)NCCc1ccc(Cl)cc1 ZINC000107075553 643249317 /nfs/dbraw/zinc/24/93/17/643249317.db2.gz XBAKSOKOZBDYMV-UHFFFAOYSA-N 0 0 383.901 2.391 10 0 GEAERN Cc1nc(CN2CCCN(C(=O)Cc3ccccc3Br)CC2)no1 ZINC000110946955 643323265 /nfs/dbraw/zinc/32/32/65/643323265.db2.gz OJGSLNHPGHTUDI-UHFFFAOYSA-N 0 0 393.285 2.418 10 0 GEAERN O=C(COc1ccc(Br)cc1F)N1CCO[C@H](Cn2cccn2)C1 ZINC000111076811 643325848 /nfs/dbraw/zinc/32/58/48/643325848.db2.gz FGXRUMCMONUULM-ZDUSSCGKSA-N 0 0 398.232 2.091 10 0 GEAERN Cc1noc([C@@H](C)N2CCN(S(=O)(=O)c3cc(F)ccc3Cl)CC2)n1 ZINC000111344577 643335467 /nfs/dbraw/zinc/33/54/67/643335467.db2.gz MJJKFEJRSOKVGI-SNVBAGLBSA-N 0 0 388.852 2.238 10 0 GEAERN Cc1noc([C@H](C)N2CCN(S(=O)(=O)c3ccc(F)cc3Cl)CC2)n1 ZINC000111344610 643335489 /nfs/dbraw/zinc/33/54/89/643335489.db2.gz SEWZBUALSRMEIJ-JTQLQIEISA-N 0 0 388.852 2.238 10 0 GEAERN CCc1noc([C@@H](C)N2CCN(Cn3nc(N(C)C)sc3=S)CC2)n1 ZINC000112070773 643353080 /nfs/dbraw/zinc/35/30/80/643353080.db2.gz QNRSQSLBCKECFE-LLVKDONJSA-N 0 0 383.547 2.022 10 0 GEAERN CCc1csc([C@H]2CCCN(C(=O)CNS(=O)(=O)c3cccs3)C2)n1 ZINC000113204134 643385232 /nfs/dbraw/zinc/38/52/32/643385232.db2.gz YWIFUGNRBBWELD-LBPRGKRZSA-N 0 0 399.563 2.452 10 0 GEAERN C[C@@H](CS(C)(=O)=O)N(C[C@H](O)COCc1ccc(Cl)cc1)C1CC1 ZINC000113263397 643388363 /nfs/dbraw/zinc/38/83/63/643388363.db2.gz XOZOZFWSGMJCJG-GUYCJALGSA-N 0 0 375.918 2.115 10 0 GEAERN CSc1ccc(S(=O)(=O)N2CCCN(Cc3cnn(C)c3)CC2)cc1 ZINC000115581265 643441924 /nfs/dbraw/zinc/44/19/24/643441924.db2.gz ZVDINFIVCMPZTO-UHFFFAOYSA-N 0 0 380.539 2.039 10 0 GEAERN Cn1cc([C@@H]2CCN(S(=O)(=O)c3sccc3Br)C2)cn1 ZINC000116371007 643461177 /nfs/dbraw/zinc/46/11/77/643461177.db2.gz DMZPQAOJUZTZOU-SECBINFHSA-N 0 0 376.301 2.422 10 0 GEAERN Cn1cc([C@H]2CCN(C(=O)C(=O)Nc3cccc(Br)c3)C2)cn1 ZINC000116587491 643465678 /nfs/dbraw/zinc/46/56/78/643465678.db2.gz WQERTKSOIFBYTR-NSHDSACASA-N 0 0 377.242 2.137 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)c2c(F)cc(F)cc2F)C[C@@H]1CC ZINC000116899360 643475771 /nfs/dbraw/zinc/47/57/71/643475771.db2.gz CMSGGBNQWRIKOT-ZDUSSCGKSA-N 0 0 380.432 2.225 10 0 GEAERN CCc1nn(C)c(Cl)c1CN1CCN(S(=O)(=O)C[C@@H](C)CC)CC1 ZINC000116899382 643475967 /nfs/dbraw/zinc/47/59/67/643475967.db2.gz NHKMKCUTHDNVMH-ZDUSSCGKSA-N 0 0 376.954 2.129 10 0 GEAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)NCc2nccs2)CC1 ZINC000117035481 643480751 /nfs/dbraw/zinc/48/07/51/643480751.db2.gz ZZNFSLPQUJKJKS-UHFFFAOYSA-N 0 0 382.921 2.120 10 0 GEAERN COCCN1CCN(C(=O)[C@@H](C)Oc2ccccc2Br)C[C@@H]1C ZINC000117288465 643486432 /nfs/dbraw/zinc/48/64/32/643486432.db2.gz YBKUBLVMRXPRIB-UONOGXRCSA-N 0 0 385.302 2.396 10 0 GEAERN COCCN1CCN(C(=O)c2ccccc2I)C[C@H]1C ZINC000117286556 643486534 /nfs/dbraw/zinc/48/65/34/643486534.db2.gz KSLWVELDCFAJQP-GFCCVEGCSA-N 0 0 388.249 2.084 10 0 GEAERN CC[C@@H]1CN(S(=O)(=O)c2ccccc2Br)CCN1CCOC ZINC000117371720 643489985 /nfs/dbraw/zinc/48/99/85/643489985.db2.gz PKMVJULJFQHWHK-CYBMUJFWSA-N 0 0 391.331 2.180 10 0 GEAERN C[C@@H](CNC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)N1CCOCC1 ZINC000117404006 643490764 /nfs/dbraw/zinc/49/07/64/643490764.db2.gz USFPEHLSSJOOQR-JTQLQIEISA-N 0 0 377.329 2.233 10 0 GEAERN CCOc1ccc(Br)cc1NC(=O)C(=O)NCCn1cc(C)cn1 ZINC000118132858 643506775 /nfs/dbraw/zinc/50/67/75/643506775.db2.gz DVVGMELUNJZFMJ-UHFFFAOYSA-N 0 0 395.257 2.108 10 0 GEAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cnc(Br)c(Br)c1 ZINC000119333454 643546528 /nfs/dbraw/zinc/54/65/28/643546528.db2.gz NJGYEOJBKCFUFR-XRGYYRRGSA-N 0 0 377.036 2.070 10 0 GEAERN CCc1ccc(CNC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)s1 ZINC000120405435 643604712 /nfs/dbraw/zinc/60/47/12/643604712.db2.gz KEOUHZYXWJPGCZ-LLVKDONJSA-N 0 0 377.491 2.054 10 0 GEAERN C[C@@H](NC(=O)N1CCS(=O)(=O)[C@H](C)C1)c1ccccc1Br ZINC000121785123 643639786 /nfs/dbraw/zinc/63/97/86/643639786.db2.gz AYYMPZAMZLIRAO-GHMZBOCLSA-N 0 0 375.288 2.339 10 0 GEAERN Cc1cc(Cl)ncc1NC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000126482774 643733029 /nfs/dbraw/zinc/73/30/29/643733029.db2.gz POTJWIDMLIHVKY-SNVBAGLBSA-N 0 0 378.841 2.109 10 0 GEAERN CN(C)c1ncc(Br)cc1C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127212376 643763640 /nfs/dbraw/zinc/76/36/40/643763640.db2.gz DPUYDEHTILDTOX-GFCCVEGCSA-N 0 0 393.289 2.054 10 0 GEAERN Cc1cc(S(=O)(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)cnc1Cl ZINC000128416544 643802939 /nfs/dbraw/zinc/80/29/39/643802939.db2.gz RAUAOTJDBOSXDA-ZDUSSCGKSA-N 0 0 381.889 2.123 10 0 GEAERN C[C@@H]1COC[C@H](C)N1C(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000130987665 643858323 /nfs/dbraw/zinc/85/83/23/643858323.db2.gz CLCUQWHTHCFLRV-AOOOYVTPSA-N 0 0 376.272 2.102 10 0 GEAERN O=S(=O)(c1c(Cl)nc2ccccn21)N1CC[C@@H](Oc2cccnc2)C1 ZINC000132712899 643884943 /nfs/dbraw/zinc/88/49/43/643884943.db2.gz RITCMFYGWGXZLG-CYBMUJFWSA-N 0 0 378.841 2.225 10 0 GEAERN O=C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cc(Cl)ncc1Cl ZINC000156428123 644096302 /nfs/dbraw/zinc/09/63/02/644096302.db2.gz SYZGYNNAPMKJPB-OCCSQVGLSA-N 0 0 386.191 2.121 10 0 GEAERN C[C@@H](NC(=O)NC[C@H]1CCCS1(=O)=O)c1ccccc1Br ZINC000156550474 644102568 /nfs/dbraw/zinc/10/25/68/644102568.db2.gz PZTMSHJPAPJLHO-GHMZBOCLSA-N 0 0 375.288 2.387 10 0 GEAERN CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)c1ccccc1Br)CC2 ZINC000159341987 644188289 /nfs/dbraw/zinc/18/82/89/644188289.db2.gz UGFRXXMFMWRTDC-LLVKDONJSA-N 0 0 399.314 2.457 10 0 GEAERN CCN1CCC[C@@H](NC(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 ZINC000170893592 644295952 /nfs/dbraw/zinc/29/59/52/644295952.db2.gz UQCYSROWDPVWCJ-LLVKDONJSA-N 0 0 389.315 2.067 10 0 GEAERN CN1CCO[C@H](CNC(=O)c2ccc(I)cc2Cl)C1 ZINC000171100381 644309065 /nfs/dbraw/zinc/30/90/65/644309065.db2.gz LKCXQLOVJPLAKF-SNVBAGLBSA-N 0 0 394.640 2.005 10 0 GEAERN Brc1cc(CN2CCO[C@@H](Cn3cccn3)C2)cc2c1OCO2 ZINC000171511027 644326812 /nfs/dbraw/zinc/32/68/12/644326812.db2.gz TYSXIWWQTJSPKO-CYBMUJFWSA-N 0 0 380.242 2.275 10 0 GEAERN C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000172806749 644344574 /nfs/dbraw/zinc/34/45/74/644344574.db2.gz AYLDZVYRBRJBQT-BBRMVZONSA-N 0 0 382.302 2.183 10 0 GEAERN Cc1ccc(NC(=O)[C@@H](C)N2CC[C@H](N3CCOCC3)C2)c(Br)c1 ZINC000172806390 644344688 /nfs/dbraw/zinc/34/46/88/644344688.db2.gz ZCFZUSVQWCQPFA-CABCVRRESA-N 0 0 396.329 2.491 10 0 GEAERN Cc1cc(Br)ccc1NC(=O)CN1CC[C@H](N2CCOCC2)C1 ZINC000172806327 644344963 /nfs/dbraw/zinc/34/49/63/644344963.db2.gz MCWOIBWRDZYITH-HNNXBMFYSA-N 0 0 382.302 2.103 10 0 GEAERN CCc1nnc([C@H]2CN(C(=O)c3cc(F)cc(Br)c3)CCO2)[nH]1 ZINC000173093410 644350374 /nfs/dbraw/zinc/35/03/74/644350374.db2.gz HSFVUTUZDJNYCX-GFCCVEGCSA-N 0 0 383.221 2.482 10 0 GEAERN CCc1nnc([C@@H]2CN(C(=O)c3[nH]nc(C(C)C)c3Br)CCO2)[nH]1 ZINC000173093617 644351142 /nfs/dbraw/zinc/35/11/42/644351142.db2.gz YCMGCLRLYXWXSN-VIFPVBQESA-N 0 0 397.277 2.190 10 0 GEAERN C[C@@H]1CN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)C[C@@H](C)O1 ZINC000174673894 644380256 /nfs/dbraw/zinc/38/02/56/644380256.db2.gz FFBHQAFPXBYSKS-HTQZYQBOSA-N 0 0 377.185 2.302 10 0 GEAERN C[C@H]1CN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)C[C@H](C)O1 ZINC000174673883 644380396 /nfs/dbraw/zinc/38/03/96/644380396.db2.gz FFBHQAFPXBYSKS-YUMQZZPRSA-N 0 0 377.185 2.302 10 0 GEAERN Cc1cc(N2CCC[C@@H](NC(=O)NCc3ccc(Cl)s3)C2=O)n(C)n1 ZINC000174800093 644382935 /nfs/dbraw/zinc/38/29/35/644382935.db2.gz PQHBAEOYASWTHW-GFCCVEGCSA-N 0 0 381.889 2.438 10 0 GEAERN Cn1cc([C@@H]2CCCN2Cn2nc(Br)nc2Br)cn1 ZINC000175235191 644387081 /nfs/dbraw/zinc/38/70/81/644387081.db2.gz WUFMXTNQEIRXIT-VIFPVBQESA-N 0 0 390.083 2.331 10 0 GEAERN C[C@H](NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)c1ccc(F)cc1Cl ZINC000176653772 644402214 /nfs/dbraw/zinc/40/22/14/644402214.db2.gz CZOPCGVHEKBCDW-BJOHPYRUSA-N 0 0 383.832 2.386 10 0 GEAERN C[C@@H](NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)c1ccc(F)cc1Cl ZINC000176653824 644402289 /nfs/dbraw/zinc/40/22/89/644402289.db2.gz CZOPCGVHEKBCDW-PSLIRLAXSA-N 0 0 383.832 2.386 10 0 GEAERN COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000177553812 644417134 /nfs/dbraw/zinc/41/71/34/644417134.db2.gz PHZFZWKTQAHKTQ-DGCLKSJQSA-N 0 0 399.285 2.372 10 0 GEAERN COc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2CO)c1 ZINC000177550260 644417294 /nfs/dbraw/zinc/41/72/94/644417294.db2.gz GDFYDJURFYLSIT-GXFFZTMASA-N 0 0 385.258 2.064 10 0 GEAERN O=C(N[C@H]1CCCn2ncnc21)c1cnn(-c2ccc(Br)cc2)c1 ZINC000177566722 644418687 /nfs/dbraw/zinc/41/86/87/644418687.db2.gz MQGGZYFJFIKBDC-AWEZNQCLSA-N 0 0 387.241 2.491 10 0 GEAERN C[C@H](NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)c1cccc(Br)c1 ZINC000177651893 644422802 /nfs/dbraw/zinc/42/28/02/644422802.db2.gz WWHPXISBPFJTAU-JQWIXIFHSA-N 0 0 377.242 2.403 10 0 GEAERN O=C(N[C@H]1CCCC[C@H]1CO)c1cccn2c(I)cnc12 ZINC000179240125 644454559 /nfs/dbraw/zinc/45/45/59/644454559.db2.gz UVCJEOQUXJAPJE-JQWIXIFHSA-N 0 0 399.232 2.220 10 0 GEAERN O=S(=O)(N[C@@H]1CCCC[C@@H]1CO)c1cc(Br)cnc1Cl ZINC000179491631 644463068 /nfs/dbraw/zinc/46/30/68/644463068.db2.gz PORVJEFLFZKZDA-PSASIEDQSA-N 0 0 383.695 2.327 10 0 GEAERN C[C@H](OC(=O)c1ccc(S(C)(=O)=O)c(Br)c1)[C@H]1CCOC1 ZINC000180021009 644484257 /nfs/dbraw/zinc/48/42/57/644484257.db2.gz XUQAODNDOPUPPI-ONGXEEELSA-N 0 0 377.256 2.434 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)C[C@@H](O)c3cc(Cl)cc(Cl)c3)CCO2)[nH]1 ZINC000180067627 644486953 /nfs/dbraw/zinc/48/69/53/644486953.db2.gz KQWLISRXIYOUSH-ZIAGYGMSSA-N 0 0 385.251 2.444 10 0 GEAERN CC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCC[C@H]2O)ccc1Br ZINC000180340706 644501652 /nfs/dbraw/zinc/50/16/52/644501652.db2.gz PKZHIKGCEPKHDR-IAQYHMDHSA-N 0 0 390.299 2.481 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cnc(Br)c(C)c1 ZINC000180520897 644506014 /nfs/dbraw/zinc/50/60/14/644506014.db2.gz PZARDPZDNGSKJW-GFCCVEGCSA-N 0 0 390.303 2.295 10 0 GEAERN COc1cc(/C=C/C(=O)N2CCC[C@H](NC(C)=O)C2)cc(Br)c1O ZINC000183429476 644993188 /nfs/dbraw/zinc/99/31/88/644993188.db2.gz VJLZQUGWEOZZQT-GFUIURDCSA-N 0 0 397.269 2.304 10 0 GEAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(Cl)s1 ZINC000184642404 645022969 /nfs/dbraw/zinc/02/29/69/645022969.db2.gz VXWLHTROHFXENO-SECBINFHSA-N 0 0 383.882 2.145 10 0 GEAERN COCCNC(=O)CNC(=O)[C@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000184772993 645026130 /nfs/dbraw/zinc/02/61/30/645026130.db2.gz OCKHWTBBBUOMJQ-BBRMVZONSA-N 0 0 389.279 2.340 10 0 GEAERN CC[C@@H](O)CN1CCN(C(=O)NCCc2ccc(Br)s2)CC1 ZINC000184773708 645026147 /nfs/dbraw/zinc/02/61/47/645026147.db2.gz PDYWOJAQHKVADK-GFCCVEGCSA-N 0 0 390.347 2.151 10 0 GEAERN CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2cccc(Br)c2)cn1 ZINC000184774136 645026736 /nfs/dbraw/zinc/02/67/36/645026736.db2.gz JUGXWOQZTWGPFX-SNVBAGLBSA-N 0 0 398.282 2.243 10 0 GEAERN C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000185151754 645036928 /nfs/dbraw/zinc/03/69/28/645036928.db2.gz ZEJABYIOPURBNC-NXEZZACHSA-N 0 0 376.837 2.035 10 0 GEAERN NC(=O)[C@@H]1CN(C(=O)[C@H]2CCCO[C@@H]2c2ccc(Cl)cc2Cl)CCO1 ZINC000185158167 645037644 /nfs/dbraw/zinc/03/76/44/645037644.db2.gz XCLCLRSBPWGJOI-AEGPPILISA-N 0 0 387.263 2.174 10 0 GEAERN COC(=O)[C@@H]1C[C@@H]1C(=O)OCc1nc(Cc2ccccc2Br)n[nH]1 ZINC000185383891 645043536 /nfs/dbraw/zinc/04/35/36/645043536.db2.gz SKQRRMYSZLBVBE-MNOVXSKESA-N 0 0 394.225 2.010 10 0 GEAERN COC(=O)[C@@H]1C[C@H]1C(=O)OCc1nc(Cc2ccccc2Br)n[nH]1 ZINC000185383926 645043644 /nfs/dbraw/zinc/04/36/44/645043644.db2.gz SKQRRMYSZLBVBE-GHMZBOCLSA-N 0 0 394.225 2.010 10 0 GEAERN Cc1ccc(S(=O)(=O)N2CC(NC(=O)C3CCC3)C2)c(Br)c1 ZINC000186186789 645063581 /nfs/dbraw/zinc/06/35/81/645063581.db2.gz IIWKUQHSHNTIGJ-UHFFFAOYSA-N 0 0 387.299 2.047 10 0 GEAERN O=C(NC1CN(S(=O)(=O)Cc2ccccc2C(F)(F)F)C1)C1CCC1 ZINC000186186231 645063665 /nfs/dbraw/zinc/06/36/65/645063665.db2.gz GPBSPEBBNMSBKB-UHFFFAOYSA-N 0 0 376.400 2.136 10 0 GEAERN O=C(NC1CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1)C1CC1 ZINC000187920135 645100085 /nfs/dbraw/zinc/10/00/85/645100085.db2.gz NZYQEJRPDHNHRZ-UHFFFAOYSA-N 0 0 382.791 2.258 10 0 GEAERN O=C(NC1CN(S(=O)(=O)c2ccc(Br)cc2Cl)C1)C1CC1 ZINC000187929830 645101154 /nfs/dbraw/zinc/10/11/54/645101154.db2.gz KBCZKMYSQUBGPR-UHFFFAOYSA-N 0 0 393.690 2.002 10 0 GEAERN COCCN1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C[C@H]1C ZINC000187973828 645102282 /nfs/dbraw/zinc/10/22/82/645102282.db2.gz OEVAYNOXJLCVOP-SNVBAGLBSA-N 0 0 385.288 2.474 10 0 GEAERN Cc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000188111850 645108289 /nfs/dbraw/zinc/10/82/89/645108289.db2.gz GGFONKYDOUGIFD-AWEZNQCLSA-N 0 0 392.257 2.151 10 0 GEAERN O=C(Nc1nc2c(s1)COCC2)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000188113069 645108899 /nfs/dbraw/zinc/10/88/99/645108899.db2.gz JXIRLBBGUXDARE-LLVKDONJSA-N 0 0 378.479 2.365 10 0 GEAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000189861579 645145139 /nfs/dbraw/zinc/14/51/39/645145139.db2.gz VCVCYSOGRMDMIO-IUODEOHRSA-N 0 0 379.869 2.308 10 0 GEAERN C[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000192843150 645224518 /nfs/dbraw/zinc/22/45/18/645224518.db2.gz BMGPWFWTYRWVHI-JTQLQIEISA-N 0 0 385.848 2.416 10 0 GEAERN NS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H](O)c2ccc(Cl)cc2)c1 ZINC000192916715 645229499 /nfs/dbraw/zinc/22/94/99/645229499.db2.gz DSPDWKAHXWMQFJ-CQSZACIVSA-N 0 0 389.260 2.104 10 0 GEAERN O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CC[C@H](Oc2cccnc2)C1 ZINC000192930694 645231522 /nfs/dbraw/zinc/23/15/22/645231522.db2.gz QWGFXMFNDQFHOV-JTQLQIEISA-N 0 0 376.331 2.480 10 0 GEAERN O=C(c1ncccc1Br)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000193173501 645248824 /nfs/dbraw/zinc/24/88/24/645248824.db2.gz ABLVXHLOVSGZEC-INIZCTEOSA-N 0 0 390.281 2.336 10 0 GEAERN CCS(=O)(=O)C1CCN(C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000193259612 645257214 /nfs/dbraw/zinc/25/72/14/645257214.db2.gz QPRISUKTJZNSMM-MRXNPFEDSA-N 0 0 375.918 2.117 10 0 GEAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2ccoc2Br)CC1 ZINC000193587610 645287252 /nfs/dbraw/zinc/28/72/52/645287252.db2.gz GUISRABOYNBAKM-UHFFFAOYSA-N 0 0 381.274 2.350 10 0 GEAERN C[C@@H](NC(=O)CCN1CCCS1(=O)=O)c1ccccc1Br ZINC000194446532 645328462 /nfs/dbraw/zinc/32/84/62/645328462.db2.gz VMFYZNOMKPXIGV-LLVKDONJSA-N 0 0 375.288 2.052 10 0 GEAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1cc(F)cc(Br)c1 ZINC000194517354 645330559 /nfs/dbraw/zinc/33/05/59/645330559.db2.gz NHKIKNNFTBQLPA-OAHLLOKOSA-N 0 0 394.244 2.484 10 0 GEAERN CS(=O)(=O)Cc1cccc(CNS(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000195014774 645354596 /nfs/dbraw/zinc/35/45/96/645354596.db2.gz FYDVRWUINAJGMO-UHFFFAOYSA-N 0 0 379.503 2.198 10 0 GEAERN COC(=O)[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2C)C[C@@H]1C ZINC000227813434 645393704 /nfs/dbraw/zinc/39/37/04/645393704.db2.gz IQIFABMFNKSXHH-JQWIXIFHSA-N 0 0 376.272 2.187 10 0 GEAERN O=C(c1cc(Br)cc(Br)c1)N1CCOC[C@H]1CO ZINC000236515511 645411143 /nfs/dbraw/zinc/41/11/43/645411143.db2.gz WETPVOJLEOQYRM-LLVKDONJSA-N 0 0 379.048 2.045 10 0 GEAERN C[C@@H]1CN(C(=O)[C@H]2COc3ccc(Br)cc32)C[C@@H]1N1CCOCC1 ZINC000245690458 645467229 /nfs/dbraw/zinc/46/72/29/645467229.db2.gz XBEGBDRWBFULIO-KCXAZCMYSA-N 0 0 395.297 2.104 10 0 GEAERN C[C@H]1CN(Cc2cc(Br)c3c(c2)OCCO3)C[C@H]1N1CCOCC1 ZINC000245752340 645467841 /nfs/dbraw/zinc/46/78/41/645467841.db2.gz OARLIYDHWBIPEB-XJKSGUPXSA-N 0 0 397.313 2.373 10 0 GEAERN COC(=O)[C@H](c1cccc(Br)c1)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000245859868 645471021 /nfs/dbraw/zinc/47/10/21/645471021.db2.gz FFEAKBMBTJDDSD-XKQJLSEDSA-N 0 0 397.313 2.316 10 0 GEAERN C[C@H](C(=O)Nc1ccc(Br)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000246121945 645476782 /nfs/dbraw/zinc/47/67/82/645476782.db2.gz AYLDZVYRBRJBQT-CZUORRHYSA-N 0 0 382.302 2.183 10 0 GEAERN C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C[C@H]1N1CCOCC1 ZINC000246370617 645481421 /nfs/dbraw/zinc/48/14/21/645481421.db2.gz AAORCLSNRFLZBB-SWLSCSKDSA-N 0 0 378.416 2.047 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)c2ccccc2OC(F)F)C[C@H]1C ZINC000247096768 645504465 /nfs/dbraw/zinc/50/44/65/645504465.db2.gz MGZBSHOMZIXORJ-CYBMUJFWSA-N 0 0 378.441 2.019 10 0 GEAERN COCCN1CCN(S(=O)(=O)c2cc(C)ccc2Br)C[C@@H]1C ZINC000247879155 645521192 /nfs/dbraw/zinc/52/11/92/645521192.db2.gz ZPGCLTWNNAEMIB-ZDUSSCGKSA-N 0 0 391.331 2.099 10 0 GEAERN C[C@H](O)CN1CCN(C(=O)c2cc(Br)c(F)cc2F)C[C@@H]1C ZINC000248844415 645541384 /nfs/dbraw/zinc/54/13/84/645541384.db2.gz RFEYTEUAPBAQQB-UWVGGRQHSA-N 0 0 377.229 2.254 10 0 GEAERN COC(=O)[C@H]1CN(S(=O)(=O)c2cc(Br)sc2C)C[C@H]1C ZINC000250960370 645564766 /nfs/dbraw/zinc/56/47/66/645564766.db2.gz XJOWFKZVRCGJSW-APPZFPTMSA-N 0 0 382.301 2.249 10 0 GEAERN C[C@@H](CNS(=O)(=O)/C=C\c1cccc(Br)c1)N1CCOCC1 ZINC000255840150 645586067 /nfs/dbraw/zinc/58/60/67/645586067.db2.gz BCTPQNRYBBTZDR-PRFOUVDFSA-N 0 0 389.315 2.060 10 0 GEAERN C[C@@H](C(=O)N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000262884372 645647537 /nfs/dbraw/zinc/64/75/37/645647537.db2.gz FZKSELYPLIVMAG-DGCLKSJQSA-N 0 0 389.279 2.341 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NCc2cn3ccc(Br)cc3n2)C1 ZINC000263522091 645667936 /nfs/dbraw/zinc/66/79/36/645667936.db2.gz RKFWQTQOAWULIE-UHFFFAOYSA-N 0 0 381.274 2.124 10 0 GEAERN Cc1c(Br)cccc1S(=O)(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1 ZINC000328628388 647311468 /nfs/dbraw/zinc/31/14/68/647311468.db2.gz NSNINVHUFXLLPT-ZDUSSCGKSA-N 0 0 399.314 2.158 10 0 GEAERN NC(=O)C1CC([NH2+]Cc2cc(Br)c([O-])c(Br)c2)C1 ZINC000716758640 651474467 /nfs/dbraw/zinc/47/44/67/651474467.db2.gz BDPJFWDNBIPLCB-UHFFFAOYSA-N 0 0 378.064 2.271 10 0 GEAERN CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1ncc(Br)c2ccsc21 ZINC000664273802 652525238 /nfs/dbraw/zinc/52/52/38/652525238.db2.gz USKSPQKJVAZSAL-NXEZZACHSA-N 0 0 377.285 2.283 10 0 GEAERN O=C1NCCC[C@H]1Nc1ncc(C(F)(F)F)cc1I ZINC000601109281 652954427 /nfs/dbraw/zinc/95/44/27/652954427.db2.gz TYBCFWTUEFLJHL-MRVPVSSYSA-N 0 0 385.127 2.396 10 0 GEAERN CS(=O)(=O)Nc1cc(F)ccc1NC(=O)C1C[C@H]2CSC[C@@H](C1)C2=O ZINC000901320088 654119653 /nfs/dbraw/zinc/11/96/53/654119653.db2.gz PMOVFDGWOYWUTO-FGWVZKOKSA-N 0 0 386.470 2.094 10 0 GEAERN CCn1nccc1[C@H]1NC(=O)CC[C@@H]1NC(=O)c1ccnc(Cl)c1Cl ZINC000912529571 654758443 /nfs/dbraw/zinc/75/84/43/654758443.db2.gz MFNVNZVVKRJHBV-HZMBPMFUSA-N 0 0 382.251 2.355 10 0 GEAERN CCc1csc([C@H]2CCCN(C(=O)c3cc(S(N)(=O)=O)c(C)o3)C2)n1 ZINC000151468068 531503885 /nfs/dbraw/zinc/50/38/85/531503885.db2.gz RHGDWHZSPSKSKN-NSHDSACASA-N 0 0 383.495 2.274 10 0 GEAERN C[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)O1 ZINC000151498642 531506084 /nfs/dbraw/zinc/50/60/84/531506084.db2.gz PQEXAGKXCGFIEJ-IUODEOHRSA-N 0 0 381.270 2.301 10 0 GEAERN C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)[C@H]1CCCO1 ZINC000027862439 531627190 /nfs/dbraw/zinc/62/71/90/531627190.db2.gz SYMQFEAGOJFTJL-MLGOLLRUSA-N 0 0 386.901 2.422 10 0 GEAERN O=C(Nc1ccc(Br)c(Cl)c1)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000154788023 531634065 /nfs/dbraw/zinc/63/40/65/531634065.db2.gz MHJPRQYXMHAAAX-LLVKDONJSA-N 0 0 398.648 2.284 10 0 GEAERN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000154849440 531638313 /nfs/dbraw/zinc/63/83/13/531638313.db2.gz QPHNNNQPUZJLSK-INIZCTEOSA-N 0 0 396.329 2.453 10 0 GEAERN Cc1cccc(C(=O)NC[C@@H](C)N2CCOCC2)c1I ZINC000032650284 531653331 /nfs/dbraw/zinc/65/33/31/531653331.db2.gz RXTKBVRKHVMECS-GFCCVEGCSA-N 0 0 388.249 2.050 10 0 GEAERN Nc1ncc(Cl)cc1S(=O)(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000155408944 531682245 /nfs/dbraw/zinc/68/22/45/531682245.db2.gz NJPQXCPSTLHRQP-UHFFFAOYSA-N 0 0 383.861 2.325 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)Cc3ccc(Br)c(F)c3)CCO2)[nH]1 ZINC000157571406 531746695 /nfs/dbraw/zinc/74/66/95/531746695.db2.gz VBYVAJIMCGEMFH-ZDUSSCGKSA-N 0 0 383.221 2.157 10 0 GEAERN C[C@@H]1CN(C(=O)Cc2ccc(Br)c(F)c2)C[C@H]1N1CCOCC1 ZINC000157851090 531758301 /nfs/dbraw/zinc/75/83/01/531758301.db2.gz ZUBDSMIGDYJGOI-MLGOLLRUSA-N 0 0 385.277 2.310 10 0 GEAERN COC(=O)c1sc2ccccc2c1S(=O)(=O)NCCn1cc(C)cn1 ZINC000157707422 531751418 /nfs/dbraw/zinc/75/14/18/531751418.db2.gz JKQHVAQFCCZYON-UHFFFAOYSA-N 0 0 379.463 2.171 10 0 GEAERN CCc1nc2n(n1)CCC[C@@H]2N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000162251228 531839523 /nfs/dbraw/zinc/83/95/23/531839523.db2.gz SVHXUSLPOVOSAV-JSGCOSHPSA-N 0 0 378.274 2.254 10 0 GEAERN C[C@@H]1CC[C@H](NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)c2ccccc21 ZINC000162306313 531842039 /nfs/dbraw/zinc/84/20/39/531842039.db2.gz CAWAWEKDJZMNFT-PXAZEXFGSA-N 0 0 380.491 2.251 10 0 GEAERN CS(=O)(=O)c1ccc(OCCCN2CCO[C@@H](c3nccs3)C2)cc1 ZINC000171662475 531910631 /nfs/dbraw/zinc/91/06/31/531910631.db2.gz CLSUQKODPKYSRO-MRXNPFEDSA-N 0 0 382.507 2.389 10 0 GEAERN CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCC(C2OCCO2)CC1 ZINC000171242840 531900037 /nfs/dbraw/zinc/90/00/37/531900037.db2.gz ACUFPKUJHVBPNW-UHFFFAOYSA-N 0 0 392.880 2.241 10 0 GEAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)CCc2cscn2)CC1 ZINC000171818817 531917635 /nfs/dbraw/zinc/91/76/35/531917635.db2.gz QTCOLHCFOSDQAA-UHFFFAOYSA-N 0 0 381.933 2.369 10 0 GEAERN CSc1ncc(Cl)c(C(=O)N2CCN([C@H](C)c3nc(C)no3)CC2)n1 ZINC000171856550 531921116 /nfs/dbraw/zinc/92/11/16/531921116.db2.gz VFUTWNUZDNDHFW-SECBINFHSA-N 0 0 382.877 2.062 10 0 GEAERN CCn1cc(Br)cc1C(=O)N1CCCN(Cc2noc(C)n2)CC1 ZINC000171863537 531922328 /nfs/dbraw/zinc/92/23/28/531922328.db2.gz PGIDLUOUZXEDHR-UHFFFAOYSA-N 0 0 396.289 2.310 10 0 GEAERN Cn1cc([C@@H]2[C@H](C(=O)NCCc3ccc(Cl)s3)CCC(=O)N2C)cn1 ZINC000172139064 531936975 /nfs/dbraw/zinc/93/69/75/531936975.db2.gz XPICBNHATNRAEW-CZUORRHYSA-N 0 0 380.901 2.403 10 0 GEAERN CCOCCN1CCN(C(=O)c2cc3c(c(Br)c2)OCO3)C[C@H]1C ZINC000172220953 531938887 /nfs/dbraw/zinc/93/88/87/531938887.db2.gz XODLCIHMBZOFCV-GFCCVEGCSA-N 0 0 399.285 2.361 10 0 GEAERN CCCOc1c(Br)cc([C@H]2NC(=O)[C@@H]3COCCN32)cc1OC ZINC000093885227 531927754 /nfs/dbraw/zinc/92/77/54/531927754.db2.gz PZUTUJIIBHIZLZ-WFASDCNBSA-N 0 0 385.258 2.076 10 0 GEAERN CCCOc1c(Br)cc([C@H]2NC(=O)[C@H]3COCCN32)cc1OC ZINC000093885225 531928344 /nfs/dbraw/zinc/92/83/44/531928344.db2.gz PZUTUJIIBHIZLZ-DOMZBBRYSA-N 0 0 385.258 2.076 10 0 GEAERN O=C(Nc1nc2c(s1)COCC2)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000172298079 531944845 /nfs/dbraw/zinc/94/48/45/531944845.db2.gz JCGWNKNXZJBVSM-BDAKNGLRSA-N 0 0 377.388 2.392 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(Br)c(C)c1)CC2 ZINC000114874829 531957735 /nfs/dbraw/zinc/95/77/35/531957735.db2.gz XVFAXSFRIYEQJI-NSHDSACASA-N 0 0 399.314 2.205 10 0 GEAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2cc(Br)cn2C)CC1 ZINC000115727566 531958843 /nfs/dbraw/zinc/95/88/43/531958843.db2.gz QHMOUCYDKRNKGA-UHFFFAOYSA-N 0 0 394.317 2.096 10 0 GEAERN COc1ccc(CCC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1Br ZINC000172753670 531966334 /nfs/dbraw/zinc/96/63/34/531966334.db2.gz TXAZUAKLVMGJRO-OAHLLOKOSA-N 0 0 397.313 2.323 10 0 GEAERN CN1CCO[C@H](CNC(=O)CCc2nc3cc(Br)ccc3s2)C1 ZINC000172921459 531973417 /nfs/dbraw/zinc/97/34/17/531973417.db2.gz DKZPVQWQPVSXKP-GFCCVEGCSA-N 0 0 398.326 2.438 10 0 GEAERN Cn1c(CNc2cc(Cl)ccc2OCCS(C)(=O)=O)nnc1C1CC1 ZINC000172992844 531977941 /nfs/dbraw/zinc/97/79/41/531977941.db2.gz YXUMDISWZMHMKS-UHFFFAOYSA-N 0 0 384.889 2.381 10 0 GEAERN CC(C)c1nc([C@@H]2CCCN2C(=O)Cn2cc(Br)ccc2=O)no1 ZINC000173079869 531985941 /nfs/dbraw/zinc/98/59/41/531985941.db2.gz WOKSSCUNDUWVPQ-LBPRGKRZSA-N 0 0 395.257 2.481 10 0 GEAERN COC(=O)[C@H](c1cccc(Br)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000120881472 531999507 /nfs/dbraw/zinc/99/95/07/531999507.db2.gz MKWBIQZHTCOYGA-HOTGVXAUSA-N 0 0 394.269 2.261 10 0 GEAERN O=C(c1c[nH]c2cccc(Br)c12)N1CC[C@H](N2CCOCC2)C1 ZINC000120945134 532003989 /nfs/dbraw/zinc/00/39/89/532003989.db2.gz GYQWQRKXNZFKKW-LBPRGKRZSA-N 0 0 378.270 2.477 10 0 GEAERN COC(=O)[C@H](c1cccc(Br)c1)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000121168242 532016656 /nfs/dbraw/zinc/01/66/56/532016656.db2.gz FFEAKBMBTJDDSD-COXVUDFISA-N 0 0 397.313 2.316 10 0 GEAERN CCc1nnc([C@@H]2CN(C(=O)Cc3ccccc3Br)CCO2)[nH]1 ZINC000173574887 532021808 /nfs/dbraw/zinc/02/18/08/532021808.db2.gz RTGLCKQBYLHLQH-ZDUSSCGKSA-N 0 0 379.258 2.272 10 0 GEAERN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000173607468 532023290 /nfs/dbraw/zinc/02/32/90/532023290.db2.gz IIESUGJZUOGHTA-QGZVFWFLSA-N 0 0 386.323 2.358 10 0 GEAERN COc1ccc(Br)c(S(=O)(=O)NC[C@H]2CCCC[C@H]2O)c1 ZINC000121323943 532023471 /nfs/dbraw/zinc/02/34/71/532023471.db2.gz ZJHBREYVAAEOJM-ZWNOBZJWSA-N 0 0 378.288 2.287 10 0 GEAERN O=C(CN1C(=S)N=NC1c1cccs1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000121320113 532023666 /nfs/dbraw/zinc/02/36/66/532023666.db2.gz CACXHEMHMOSTKB-YVEFUNNKSA-N 0 0 378.523 2.449 10 0 GEAERN O=S(=O)(c1c(Cl)cccc1C(F)(F)F)N1CC[C@H](N2CCOCC2)C1 ZINC000173645787 532024674 /nfs/dbraw/zinc/02/46/74/532024674.db2.gz XTYIOVLQZNSGJV-NSHDSACASA-N 0 0 398.834 2.454 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)Cc1cc(Br)ccc1OC)CC2 ZINC000173767809 532032426 /nfs/dbraw/zinc/03/24/26/532032426.db2.gz IJHHEZNZXPKCAP-CYBMUJFWSA-N 0 0 393.285 2.285 10 0 GEAERN CNc1cc(N2CCC[C@@H]2CNS(=O)(=O)c2cccc(Cl)c2)ncn1 ZINC000173899224 532040529 /nfs/dbraw/zinc/04/05/29/532040529.db2.gz GGWJPNNCEQOSBY-CYBMUJFWSA-N 0 0 381.889 2.119 10 0 GEAERN CNc1cc(N2CCC[C@@H]2CNS(=O)(=O)c2ccc(Cl)s2)ncn1 ZINC000173900479 532040648 /nfs/dbraw/zinc/04/06/48/532040648.db2.gz OBVTZKMKUIEDGF-SNVBAGLBSA-N 0 0 387.918 2.181 10 0 GEAERN C[C@H](NS(=O)(=O)c1cccc(Br)c1)c1nnc2n1CCCC2 ZINC000121706448 532042231 /nfs/dbraw/zinc/04/22/31/532042231.db2.gz UOLZUSYHITVTKI-JTQLQIEISA-N 0 0 385.287 2.416 10 0 GEAERN O=C(CN1CC[C@H](N2CCOCC2)C1)Nc1nc(-c2cccs2)cs1 ZINC000173989583 532044830 /nfs/dbraw/zinc/04/48/30/532044830.db2.gz HIQJRHPDEXNNLU-ZDUSSCGKSA-N 0 0 378.523 2.217 10 0 GEAERN C[C@H](NS(=O)(=O)c1ccc(Br)s1)c1nnc2n1CCCC2 ZINC000121778203 532046962 /nfs/dbraw/zinc/04/69/62/532046962.db2.gz VVZOBLJARAJBNC-QMMMGPOBSA-N 0 0 391.316 2.478 10 0 GEAERN C[C@H](N[C@@H](C(N)=O)c1ccc(Br)cc1F)c1nnc2n1CCCC2 ZINC000174297249 532059996 /nfs/dbraw/zinc/05/99/96/532059996.db2.gz XICMVJXJJFCYCV-LKFCYVNXSA-N 0 0 396.264 2.393 10 0 GEAERN C[C@@H](O)CN1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC000122420738 532070346 /nfs/dbraw/zinc/07/03/46/532070346.db2.gz VUQDPEBEHSNGAA-VXGBXAGGSA-N 0 0 381.325 2.210 10 0 GEAERN COc1cc(Br)ccc1C(=O)N1CCOC[C@@H]1c1nc(C)no1 ZINC000122719564 532081089 /nfs/dbraw/zinc/08/10/89/532081089.db2.gz YBTMSAVMQYWLLX-GFCCVEGCSA-N 0 0 382.214 2.363 10 0 GEAERN Cc1noc(C)c1S(=O)(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000175215236 532093122 /nfs/dbraw/zinc/09/31/22/532093122.db2.gz SGYLMSDQWJSKMT-AWEZNQCLSA-N 0 0 385.511 2.047 10 0 GEAERN C[C@@H]1CCCN(S(=O)(=O)NC[C@@H](c2cccs2)N2CCO[C@H](C)C2)C1 ZINC000175224471 532093270 /nfs/dbraw/zinc/09/32/70/532093270.db2.gz JWNZMOPKKQYKOL-OAGGEKHMSA-N 0 0 387.571 2.076 10 0 GEAERN CCS(=O)(=O)c1cccc(CC(=O)N2CCO[C@@H](c3nccs3)C2)c1 ZINC000123519669 532101537 /nfs/dbraw/zinc/10/15/37/532101537.db2.gz OORHMVGXJQNBCV-OAHLLOKOSA-N 0 0 380.491 2.079 10 0 GEAERN COCc1c(Br)cccc1NC(=O)NC[C@H](C)N1CCOCC1 ZINC000123593296 532102418 /nfs/dbraw/zinc/10/24/18/532102418.db2.gz XSQMPOYSBRZUKL-LBPRGKRZSA-N 0 0 386.290 2.438 10 0 GEAERN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H]1CCCn2ncnc21 ZINC000175707494 532111826 /nfs/dbraw/zinc/11/18/26/532111826.db2.gz YUWJHVXXIARISD-CABZTGNLSA-N 0 0 382.251 2.355 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)Cc2cc(Cl)ccc2F)C[C@@H]1C ZINC000124167888 532115864 /nfs/dbraw/zinc/11/58/64/532115864.db2.gz HECQQJKIQBZKMU-ZDUSSCGKSA-N 0 0 378.897 2.352 10 0 GEAERN CC(C)n1nnnc1C[S@@](=O)Cc1cc2c(cc1Br)OCO2 ZINC000176499063 532140029 /nfs/dbraw/zinc/14/00/29/532140029.db2.gz PIOXQMBDYWUMHN-QFIPXVFZSA-N 0 0 387.259 2.194 10 0 GEAERN CC(C)n1ccnc1C[S@@](=O)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000176833629 532151601 /nfs/dbraw/zinc/15/16/01/532151601.db2.gz QPFIDIGSRWEXEB-DEOSSOPVSA-N 0 0 385.511 2.290 10 0 GEAERN CC(C)n1nnnc1C[S@@](=O)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000176571017 532141440 /nfs/dbraw/zinc/14/14/40/532141440.db2.gz RWPROBOJRXPXCN-RUZDIDTESA-N 0 0 375.376 2.160 10 0 GEAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(Cl)nc1Cl ZINC000176677473 532145171 /nfs/dbraw/zinc/14/51/71/532145171.db2.gz CGLLGAUMYDRFAQ-QMMMGPOBSA-N 0 0 376.269 2.356 10 0 GEAERN CC(C)n1c(N(C)C)nnc1S(=O)(=O)Cc1cn2cc(Cl)ccc2n1 ZINC000176707433 532146820 /nfs/dbraw/zinc/14/68/20/532146820.db2.gz SKHVNIRCQOCRBN-UHFFFAOYSA-N 0 0 382.877 2.200 10 0 GEAERN C[C@@H]1CN(CC(=O)Nc2ccc(Br)cc2)C[C@@H]1N1CCOCC1 ZINC000177249743 532166444 /nfs/dbraw/zinc/16/64/44/532166444.db2.gz QJIVMPALBSYHTA-CJNGLKHVSA-N 0 0 382.302 2.040 10 0 GEAERN C[C@H]1CN(Cc2cc3c(cc2Br)OCO3)C[C@@H]1N1CCOCC1 ZINC000177276153 532167265 /nfs/dbraw/zinc/16/72/65/532167265.db2.gz ZMRFEPVTJSJTJY-WFASDCNBSA-N 0 0 383.286 2.330 10 0 GEAERN COCCN1CCN(S(=O)(=O)c2cc(C)c(Br)s2)C[C@H]1C ZINC000176927524 532156039 /nfs/dbraw/zinc/15/60/39/532156039.db2.gz OQSCZGOOIBXUCL-LLVKDONJSA-N 0 0 397.360 2.160 10 0 GEAERN COc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000176954894 532156778 /nfs/dbraw/zinc/15/67/78/532156778.db2.gz QKMGYIYWXVZVOE-QWRGUYRKSA-N 0 0 385.258 2.340 10 0 GEAERN C[C@@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C[C@@H]1N1CCOCC1 ZINC000176992286 532157553 /nfs/dbraw/zinc/15/75/53/532157553.db2.gz RIUSUICIYLTQQA-ABAIWWIYSA-N 0 0 379.309 2.335 10 0 GEAERN O=C(NCC1CC1)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000176978121 532157805 /nfs/dbraw/zinc/15/78/05/532157805.db2.gz GYBRUXDCFWXQDO-INIZCTEOSA-N 0 0 376.503 2.390 10 0 GEAERN C[C@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)C[C@@H]1N1CCOCC1 ZINC000176997480 532158398 /nfs/dbraw/zinc/15/83/98/532158398.db2.gz YJXWZGSZWCQLKH-JSGCOSHPSA-N 0 0 378.416 2.047 10 0 GEAERN Cc1nccn1C[C@H]1CCCN1C(=O)c1cc(I)c[nH]1 ZINC000177167661 532163679 /nfs/dbraw/zinc/16/36/79/532163679.db2.gz ISRSZJCLCBYRJQ-GFCCVEGCSA-N 0 0 384.221 2.429 10 0 GEAERN Cc1nccn1C[C@@H]1CCCN1C(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000177179467 532163699 /nfs/dbraw/zinc/16/36/99/532163699.db2.gz JJDKWXBNDSEBNW-HNNXBMFYSA-N 0 0 381.885 2.310 10 0 GEAERN CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1O ZINC000177180931 532164090 /nfs/dbraw/zinc/16/40/90/532164090.db2.gz XDYVJTWVBVWURM-WCQYABFASA-N 0 0 385.258 2.206 10 0 GEAERN Cc1ccc([C@@H](C)NS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)o1 ZINC000128431058 532164300 /nfs/dbraw/zinc/16/43/00/532164300.db2.gz NUDGUAIKVXLCCT-GFCCVEGCSA-N 0 0 384.479 2.068 10 0 GEAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000177734065 532181108 /nfs/dbraw/zinc/18/11/08/532181108.db2.gz NLFPCWRFODVJIR-FZMZJTMJSA-N 0 0 399.260 2.145 10 0 GEAERN O=C(N[C@@H]1CCCC[C@H]1CO)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000177743986 532181686 /nfs/dbraw/zinc/18/16/86/532181686.db2.gz QJAVFFMDDHEYKX-SMDDNHRTSA-N 0 0 399.260 2.145 10 0 GEAERN O=C(N[C@H]1CCc2ncnn2C1)N1CCc2cc(Br)cc(F)c21 ZINC000177875496 532184842 /nfs/dbraw/zinc/18/48/42/532184842.db2.gz UBWCFOQWBUCJOT-NSHDSACASA-N 0 0 380.221 2.267 10 0 GEAERN O=C(N[C@H]1CCCn2ncnc21)c1cc(Br)c2c(c1)OCCO2 ZINC000177592916 532176366 /nfs/dbraw/zinc/17/63/66/532176366.db2.gz QUEBYZWLCURJOI-NSHDSACASA-N 0 0 379.214 2.077 10 0 GEAERN Cc1c(Cl)cc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cc1Cl ZINC000177610060 532177633 /nfs/dbraw/zinc/17/76/33/532177633.db2.gz RCEAFYMDWCISGY-GHMZBOCLSA-N 0 0 388.295 2.154 10 0 GEAERN C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1CS(C)(=O)=O)c1cccs1 ZINC000178057146 532191302 /nfs/dbraw/zinc/19/13/02/532191302.db2.gz HOTSXEFNJOJWBK-SNVBAGLBSA-N 0 0 384.454 2.248 10 0 GEAERN Cc1cc(N2CCC[C@@H](NCc3cc(O)ccc3Br)C2=O)n(C)n1 ZINC000178168484 532195544 /nfs/dbraw/zinc/19/55/44/532195544.db2.gz PVRQZFUPEARVBE-OAHLLOKOSA-N 0 0 393.285 2.482 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000178182121 532196457 /nfs/dbraw/zinc/19/64/57/532196457.db2.gz VHYFFCZKLKYVGH-KGLIPLIRSA-N 0 0 394.273 2.217 10 0 GEAERN CNC(=O)[C@H](NC(=O)c1cc(Cl)ccc1I)C(C)C ZINC000178699100 532210120 /nfs/dbraw/zinc/21/01/20/532210120.db2.gz XQSGKDKKPQOWKG-LLVKDONJSA-N 0 0 394.640 2.445 10 0 GEAERN C[C@H](NC(=O)NCc1nc(C2CC2)cs1)c1ccc(S(N)(=O)=O)cc1 ZINC000178453652 532201871 /nfs/dbraw/zinc/20/18/71/532201871.db2.gz HWMKQNOACRXXRU-JTQLQIEISA-N 0 0 380.495 2.228 10 0 GEAERN O=C1CCCN1C[C@@H](O)CN1CCOc2cc(Br)c(Cl)cc21 ZINC000178993870 532219349 /nfs/dbraw/zinc/21/93/49/532219349.db2.gz JBPVDXSIFOZTSS-JTQLQIEISA-N 0 0 389.677 2.285 10 0 GEAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(Br)cc1O ZINC000179820263 532246374 /nfs/dbraw/zinc/24/63/74/532246374.db2.gz NKJIVFQSZJARLJ-LLVKDONJSA-N 0 0 381.230 2.158 10 0 GEAERN CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000179844968 532246597 /nfs/dbraw/zinc/24/65/97/532246597.db2.gz PFCIZBOXPYXIAE-SECBINFHSA-N 0 0 390.228 2.266 10 0 GEAERN Cn1cc([C@H]2[C@@H](C(=O)Nc3ccc(Br)nc3)CCC(=O)N2C)cn1 ZINC000134246175 532252688 /nfs/dbraw/zinc/25/26/88/532252688.db2.gz BPQFZILHZDIYAV-WFASDCNBSA-N 0 0 392.257 2.126 10 0 GEAERN O=C(c1cnn2cc(Br)cnc12)N1CCC(Cn2cccn2)CC1 ZINC000179594517 532237410 /nfs/dbraw/zinc/23/74/10/532237410.db2.gz FLPWFWZCNSEUMW-UHFFFAOYSA-N 0 0 389.257 2.241 10 0 GEAERN Cc1ccc(NC(=O)C(=O)N[C@@H]2COc3ccccc32)c(Br)n1 ZINC000179616581 532237984 /nfs/dbraw/zinc/23/79/84/532237984.db2.gz GSYUABWAYNPELV-GFCCVEGCSA-N 0 0 376.210 2.341 10 0 GEAERN Cc1ccc(N2CCCN(C(=O)c3cccnc3Br)CC2)nn1 ZINC000135388474 532272044 /nfs/dbraw/zinc/27/20/44/532272044.db2.gz WIRNXGQVPXXOFM-UHFFFAOYSA-N 0 0 376.258 2.295 10 0 GEAERN Cc1nc(S(=O)(=O)N2CC[C@H](c3cnn(C)c3)C2)sc1Br ZINC000180077239 532255762 /nfs/dbraw/zinc/25/57/62/532255762.db2.gz QVIYAKJMMSAYAF-VIFPVBQESA-N 0 0 391.316 2.126 10 0 GEAERN CCn1c(C)nnc1CS(=O)(=O)CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000180092623 532256855 /nfs/dbraw/zinc/25/68/55/532256855.db2.gz QWEOCQDZRYQVDD-LLVKDONJSA-N 0 0 384.889 2.052 10 0 GEAERN CCn1c(C)nnc1CS(=O)(=O)CCC(=O)Nc1ccc(Cl)cc1F ZINC000180094280 532257235 /nfs/dbraw/zinc/25/72/35/532257235.db2.gz ZAXWEXKDXVZANO-UHFFFAOYSA-N 0 0 388.852 2.343 10 0 GEAERN CCn1c(C)nnc1CS(=O)(=O)CC(=O)Nc1cccc(Cl)c1Cl ZINC000180094792 532257271 /nfs/dbraw/zinc/25/72/71/532257271.db2.gz NXPALALIDXEQNI-UHFFFAOYSA-N 0 0 391.280 2.467 10 0 GEAERN C[C@@H]1CN(Cc2cnc3ccc(Br)cn23)C[C@@H]1N1CCOCC1 ZINC000180225104 532261497 /nfs/dbraw/zinc/26/14/97/532261497.db2.gz IPSAKISAIWPCCD-CJNGLKHVSA-N 0 0 379.302 2.249 10 0 GEAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)C[C@H]1N1CCOCC1 ZINC000180257513 532263643 /nfs/dbraw/zinc/26/36/43/532263643.db2.gz XPZALVKUHYZTAY-IAQYHMDHSA-N 0 0 386.279 2.111 10 0 GEAERN CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccco2)cc1F ZINC000135485687 532275176 /nfs/dbraw/zinc/27/51/76/532275176.db2.gz FGFBUMOYZSVEFB-CQSZACIVSA-N 0 0 388.442 2.316 10 0 GEAERN CN(C(=O)c1cccnc1Br)[C@H]1CCCN(c2cccnn2)C1 ZINC000135695992 532279214 /nfs/dbraw/zinc/27/92/14/532279214.db2.gz UGFQNIRWCIRILZ-LBPRGKRZSA-N 0 0 376.258 2.375 10 0 GEAERN Cc1ccc(S(=O)(=O)N2CCC[C@@H](Cn3cncn3)C2)c(Br)c1 ZINC000180981726 532287544 /nfs/dbraw/zinc/28/75/44/532287544.db2.gz YHVHKOGTCFSLQX-ZDUSSCGKSA-N 0 0 399.314 2.450 10 0 GEAERN Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000180981545 532287713 /nfs/dbraw/zinc/28/77/13/532287713.db2.gz SQOWUNZQYFKMAU-ZDUSSCGKSA-N 0 0 399.314 2.450 10 0 GEAERN COCN(c1onc(C)c1Cl)S(=O)(=O)c1ccsc1C(=O)OC ZINC000142007871 532295259 /nfs/dbraw/zinc/29/52/59/532295259.db2.gz GAGPKNLQEFMXDE-UHFFFAOYSA-N 0 0 380.831 2.284 10 0 GEAERN COCCN1CCN(C(=O)NCCOc2ncc(Cl)cc2Cl)C[C@H]1C ZINC000151034125 532306716 /nfs/dbraw/zinc/30/67/16/532306716.db2.gz YRKGOYYJXGRNDV-GFCCVEGCSA-N 0 0 391.299 2.129 10 0 GEAERN CC(C)[C@H](NC(=O)Nc1cnn(-c2ccccc2Br)c1)C(N)=O ZINC000183382773 532324925 /nfs/dbraw/zinc/32/49/25/532324925.db2.gz ULQWKKXGDYIZCZ-ZDUSSCGKSA-N 0 0 380.246 2.266 10 0 GEAERN Cc1ccc(NC(=O)CS(=O)(=O)Cc2nnc(C(C)C)n2C)c(Cl)c1 ZINC000182393447 532312978 /nfs/dbraw/zinc/31/29/78/532312978.db2.gz PFNRBGNWBAYIGR-UHFFFAOYSA-N 0 0 384.889 2.454 10 0 GEAERN O=C(NCC(F)F)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000182952306 532319867 /nfs/dbraw/zinc/31/98/67/532319867.db2.gz HEOTZAVZLVZUPM-CYBMUJFWSA-N 0 0 386.445 2.245 10 0 GEAERN NC(=O)COCCNC(=O)[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000183227072 532322032 /nfs/dbraw/zinc/32/20/32/532322032.db2.gz WVUKDNMIUSSYJU-DOMZBBRYSA-N 0 0 375.252 2.079 10 0 GEAERN CSc1ccc(S(=O)(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1Cl ZINC000185834902 532338919 /nfs/dbraw/zinc/33/89/19/532338919.db2.gz RJGDCODQHQWSNB-DOMZBBRYSA-N 0 0 390.958 2.403 10 0 GEAERN C[N@H+](CC(=O)[O-])C1CCN(CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000186681841 532341692 /nfs/dbraw/zinc/34/16/92/532341692.db2.gz VXWKXZIIGFADER-UHFFFAOYSA-N 0 0 398.301 2.259 10 0 GEAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000183748664 532328653 /nfs/dbraw/zinc/32/86/53/532328653.db2.gz PGUIRMWOLSJOLS-GFCCVEGCSA-N 0 0 377.344 2.159 10 0 GEAERN COc1ncncc1NC(=O)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000184211519 532331477 /nfs/dbraw/zinc/33/14/77/532331477.db2.gz WSZFXKWKRRDJHS-SECBINFHSA-N 0 0 379.214 2.064 10 0 GEAERN CCn1ccnc1CS(=O)(=O)Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000184659725 532334126 /nfs/dbraw/zinc/33/41/26/532334126.db2.gz OQFKNLBTLFUSCB-UHFFFAOYSA-N 0 0 379.873 2.467 10 0 GEAERN C[C@@H]1CN(C(=O)Cc2ccc(F)cc2Br)C[C@H]1N1CCOCC1 ZINC000188178759 532347156 /nfs/dbraw/zinc/34/71/56/532347156.db2.gz QKRSLPOYGBDYMR-MLGOLLRUSA-N 0 0 385.277 2.310 10 0 GEAERN CCOc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2CCCO2)cc1Br ZINC000188437322 532348116 /nfs/dbraw/zinc/34/81/16/532348116.db2.gz BQTCSCPKEPJZFG-GWCFXTLKSA-N 0 0 385.258 2.470 10 0 GEAERN CCOc1ccc(NC(=O)C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1Br ZINC000188466537 532348289 /nfs/dbraw/zinc/34/82/89/532348289.db2.gz YNCQVELBWLRYOO-QWRGUYRKSA-N 0 0 385.258 2.422 10 0 GEAERN CS(=O)(=O)c1ccccc1NC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188472845 532348417 /nfs/dbraw/zinc/34/84/17/532348417.db2.gz RIPLYQHFGVBCAW-KBPBESRZSA-N 0 0 380.491 2.391 10 0 GEAERN Cc1cnn(C[C@H]2CN(C(=O)Nc3cccc(Br)n3)CCO2)c1 ZINC000188585487 532348809 /nfs/dbraw/zinc/34/88/09/532348809.db2.gz NLTKQYYSXWTMBE-GFCCVEGCSA-N 0 0 380.246 2.282 10 0 GEAERN CC[C@@H]1CN(C(=O)c2cc(Br)ncc2Cl)CCN1C[C@@H](C)O ZINC000188893451 532350040 /nfs/dbraw/zinc/35/00/40/532350040.db2.gz BZJZBOIXBNDQQH-GHMZBOCLSA-N 0 0 390.709 2.415 10 0 GEAERN C[C@@H](O)C[N@@H+]1CCN(CCOc2cc(F)cc(Br)c2)C[C@@H]1C ZINC000188955945 532350444 /nfs/dbraw/zinc/35/04/44/532350444.db2.gz UZNPMNOLBXKHOV-QWHCGFSZSA-N 0 0 375.282 2.354 10 0 GEAERN CCn1cc([C@H]2CN(S(=O)(=O)c3c(F)cc(F)cc3F)CCO2)cn1 ZINC000189222383 532351408 /nfs/dbraw/zinc/35/14/08/532351408.db2.gz VANITMCUUNSFFQ-CQSZACIVSA-N 0 0 375.372 2.083 10 0 GEAERN CC(C)[C@H](NC(=O)Nc1ccnn1Cc1ccccc1Br)C(N)=O ZINC000189468862 532352319 /nfs/dbraw/zinc/35/23/19/532352319.db2.gz UOBKZTJLDIZFRA-AWEZNQCLSA-N 0 0 394.273 2.325 10 0 GEAERN COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000189714214 532353291 /nfs/dbraw/zinc/35/32/91/532353291.db2.gz TVXKNKTUZBXUCG-JQWIXIFHSA-N 0 0 394.273 2.424 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)c3c[nH]nc3-c3ccc(Cl)s3)CCO2)[nH]1 ZINC000189930545 532354136 /nfs/dbraw/zinc/35/41/36/532354136.db2.gz RUAOGFCLLFKUMM-SNVBAGLBSA-N 0 0 378.845 2.432 10 0 GEAERN O=C(Nc1cccnc1Br)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000190153446 532355095 /nfs/dbraw/zinc/35/50/95/532355095.db2.gz FJEGHXOYSMHLBD-GFCCVEGCSA-N 0 0 378.230 2.260 10 0 GEAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cc(C)c(Br)c(C)c2)C1 ZINC000190361541 532355812 /nfs/dbraw/zinc/35/58/12/532355812.db2.gz LRYXWCWIAXTXEO-ZDUSSCGKSA-N 0 0 396.285 2.132 10 0 GEAERN O=C(Nc1cc(F)cc(F)c1Br)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000191229185 532360023 /nfs/dbraw/zinc/36/00/23/532360023.db2.gz WSBVGAUBOPZMMP-LDYMZIIASA-N 0 0 391.212 2.333 10 0 GEAERN CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CCCO[C@H]2C)s1 ZINC000191265571 532360218 /nfs/dbraw/zinc/36/02/18/532360218.db2.gz UPKLJTZCRQLUGY-DZGCQCFKSA-N 0 0 388.555 2.252 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)c3cc(Br)ncc3Cl)CCO2)[nH]1 ZINC000187595809 532344941 /nfs/dbraw/zinc/34/49/41/532344941.db2.gz JHKCJNAWJPCWIX-SNVBAGLBSA-N 0 0 386.637 2.138 10 0 GEAERN C[C@@H]1CN(C(=O)c2cc(Br)ncc2Cl)C[C@@H]1N1CCOCC1 ZINC000187596492 532345016 /nfs/dbraw/zinc/34/50/16/532345016.db2.gz VWBYWQPZNJELKR-MFKMUULPSA-N 0 0 388.693 2.290 10 0 GEAERN Cc1cnn(CCNC(=O)C(=O)Nc2cc(Br)c(F)cc2C)c1 ZINC000191969733 532377519 /nfs/dbraw/zinc/37/75/19/532377519.db2.gz YQZCERMULDWYIE-UHFFFAOYSA-N 0 0 383.221 2.156 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1ccc(I)cc1 ZINC000192054521 532380765 /nfs/dbraw/zinc/38/07/65/532380765.db2.gz FIKCYFAIEVXVTC-ZDUSSCGKSA-N 0 0 396.232 2.385 10 0 GEAERN COCCN1CCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@@H]1C ZINC000192072976 532384683 /nfs/dbraw/zinc/38/46/83/532384683.db2.gz ITWBQYYJVLOVQG-WMLDXEAASA-N 0 0 396.329 2.207 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)c3cc(Br)c(F)cc3F)CCO2)[nH]1 ZINC000192138582 532389361 /nfs/dbraw/zinc/38/93/61/532389361.db2.gz DZHBFENMLJNIDZ-GFCCVEGCSA-N 0 0 387.184 2.368 10 0 GEAERN CC[S@](=O)c1ccccc1C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000192980242 532415477 /nfs/dbraw/zinc/41/54/77/532415477.db2.gz LQIRWKOAPQHZOD-OWJWWREXSA-N 0 0 377.487 2.463 10 0 GEAERN CCc1nnc(C[S@@](=O)Cc2ccc(I)cc2)n1C ZINC000194306160 532446951 /nfs/dbraw/zinc/44/69/51/532446951.db2.gz SJGSQEIBJOWUSP-IBGZPJMESA-N 0 0 389.262 2.431 10 0 GEAERN CCn1c(C)nnc1C[S@](=O)Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000194310442 532447116 /nfs/dbraw/zinc/44/71/16/532447116.db2.gz NAPKGIXMANJVQJ-RUZDIDTESA-N 0 0 382.852 2.429 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)c2ccc(Br)cc2)C[C@H]1C ZINC000246912220 532544137 /nfs/dbraw/zinc/54/41/37/532544137.db2.gz AXIUWLKFPWDUDN-CYBMUJFWSA-N 0 0 391.331 2.180 10 0 GEAERN C[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C[C@H]1N1CCOCC1 ZINC000245736249 532523676 /nfs/dbraw/zinc/52/36/76/532523676.db2.gz QVSFAUAKXAIZCG-MLGOLLRUSA-N 0 0 393.336 2.476 10 0 GEAERN COC(=O)[C@@H](c1cccc(Br)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000245921535 532528137 /nfs/dbraw/zinc/52/81/37/532528137.db2.gz NWIVMHOEWRJWMM-HZPDHXFCSA-N 0 0 383.286 2.070 10 0 GEAERN CCN(CC1CC1)S(=O)(=O)N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000248618842 532553524 /nfs/dbraw/zinc/55/35/24/532553524.db2.gz BMDWBAOEYIBVJM-MRXNPFEDSA-N 0 0 387.571 2.030 10 0 GEAERN O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CC(F)(F)CN1 ZINC000263069037 532614028 /nfs/dbraw/zinc/61/40/28/532614028.db2.gz WFTCJMOGUYBXLO-RISCZKNCSA-N 0 0 388.256 2.389 10 0 GEAERN C[C@@H](Sc1ccccc1Cl)C(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262973450 532609470 /nfs/dbraw/zinc/60/94/70/532609470.db2.gz SGIRSBNRGLTEDJ-OLZOCXBDSA-N 0 0 386.901 2.064 10 0 GEAERN O=C([C@H]1CC(F)(F)CN1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000263031761 532611286 /nfs/dbraw/zinc/61/12/86/532611286.db2.gz SAJOCNWGWRWHQL-OLZOCXBDSA-N 0 0 375.213 2.346 10 0 GEAERN O=C([O-])[C@@H]1C[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C[C@H]1C(F)(F)F ZINC000263015834 532611383 /nfs/dbraw/zinc/61/13/83/532611383.db2.gz QILUQVRBDCGCEE-GHMZBOCLSA-N 0 0 375.734 2.043 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CCN(C(=O)c2ccc(OC)c(Br)c2)CC1 ZINC000263007146 532611429 /nfs/dbraw/zinc/61/14/29/532611429.db2.gz YAYTWNJTGFFXCE-UHFFFAOYSA-N 0 0 399.285 2.469 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)C1 ZINC000263481311 532626651 /nfs/dbraw/zinc/62/66/51/532626651.db2.gz KWQJSTHYXGSZIW-UHFFFAOYSA-N 0 0 399.271 2.348 10 0 GEAERN CN(Cc1ccccc1)C(=O)CCNc1cnn(C)c(=O)c1Br ZINC000301222793 532744578 /nfs/dbraw/zinc/74/45/78/532744578.db2.gz CTNBHHIUEBIZTI-UHFFFAOYSA-N 0 0 379.258 2.003 10 0 GEAERN CC[S@](=O)[C@H]1CCC[C@@H](Nc2ccc(S(=O)(=O)N3CCCC3)cn2)C1 ZINC000301558917 532754627 /nfs/dbraw/zinc/75/46/27/532754627.db2.gz OCQPIUIPOHYFIP-IYPVNNRCSA-N 0 0 385.555 2.358 10 0 GEAERN COc1ncc(Cl)c(NCCNS(=O)(=O)c2cc(C)sc2C)n1 ZINC000301805655 532760276 /nfs/dbraw/zinc/76/02/76/532760276.db2.gz XQHRVVHKVNIBLC-UHFFFAOYSA-N 0 0 376.891 2.207 10 0 GEAERN COC(=O)c1ccc(CNc2cnn(C)c(=O)c2Br)nc1C1CC1 ZINC000302038468 532764692 /nfs/dbraw/zinc/76/46/92/532764692.db2.gz QIUWIASDDOCCFL-UHFFFAOYSA-N 0 0 393.241 2.214 10 0 GEAERN CS(=O)(=O)c1ccc2ncnc(N3CCO[C@@H](c4nccs4)C3)c2c1 ZINC000302648755 532772149 /nfs/dbraw/zinc/77/21/49/532772149.db2.gz GBKBCGJGNWIRDI-CQSZACIVSA-N 0 0 376.463 2.068 10 0 GEAERN CC(C)n1cc(C[C@H]2NC(=O)N(Cc3ncc(Cl)cc3Cl)C2=O)nn1 ZINC000328612594 532793966 /nfs/dbraw/zinc/79/39/66/532793966.db2.gz PIWPEEKZCXDKCK-GFCCVEGCSA-N 0 0 383.239 2.428 10 0 GEAERN CCc1nn(C)c(CC)c1S(=O)(=O)N1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000328611637 532793989 /nfs/dbraw/zinc/79/39/89/532793989.db2.gz MDTFNVWOVPBIHH-UONOGXRCSA-N 0 0 383.539 2.003 10 0 GEAERN COc1ccc(S(=O)(=O)N2C[C@@H](CO)[C@@H](c3ccsc3)C2)cc1OC ZINC000328614171 532794036 /nfs/dbraw/zinc/79/40/36/532794036.db2.gz VOXFNNOSXKEDSA-DZGCQCFKSA-N 0 0 383.491 2.162 10 0 GEAERN CCn1c2nc(/C=C/c3ccc(OC)cc3OC)n(C)c2c(=O)n(CC)c1=O ZINC000026393353 203835321 /nfs/dbraw/zinc/83/53/21/203835321.db2.gz ATDDLHWKZVKABJ-PKNBQFBNSA-N 0 0 384.436 2.124 10 0 GEAERN Cc1ccc(NC(=O)Cn2nnc(C(=O)NCCc3ccccc3)c2N)c(C)c1 ZINC000004313355 204037399 /nfs/dbraw/zinc/03/73/99/204037399.db2.gz KCMYNUCSYRLOCT-UHFFFAOYSA-N 0 0 392.463 2.088 10 0 GEAERN COc1ccc2c(c1)[C@H]1C[C@](C)(NC(=O)[C@H]1S(=O)(=O)c1ccc(F)cc1)O2 ZINC000004315426 204038381 /nfs/dbraw/zinc/03/83/81/204038381.db2.gz GJKPWCBSLUIPLX-HHXXYDBFSA-N 0 0 391.420 2.389 10 0 GEAERN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000003547255 204013188 /nfs/dbraw/zinc/01/31/88/204013188.db2.gz UMQHKVHDKWBXQK-UHFFFAOYSA-N 0 0 392.452 2.371 10 0 GEAERN CCOc1nc(NCCc2ccc(OC)c(OC)c2)nc(NC(C)(C)CO)n1 ZINC000004101339 204027165 /nfs/dbraw/zinc/02/71/65/204027165.db2.gz WBVOLKCAUFJUCZ-UHFFFAOYSA-N 0 0 391.472 2.125 10 0 GEAERN CCc1ccc(C2=NN(CCC(=O)N3CCC4(CC3)OCCO4)C(=O)CC2)cc1 ZINC000004668368 204061521 /nfs/dbraw/zinc/06/15/21/204061521.db2.gz TTXYAGZHOGNSOT-UHFFFAOYSA-N 0 0 399.491 2.331 10 0 GEAERN COCCCN(CC(=O)Nc1nccs1)C(=O)COCc1ccccc1 ZINC000005095894 204111324 /nfs/dbraw/zinc/11/13/24/204111324.db2.gz RWVYHXTZOZUHNT-UHFFFAOYSA-N 0 0 377.466 2.164 10 0 GEAERN CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(C)n1N)CCCC2 ZINC000005605649 204142825 /nfs/dbraw/zinc/14/28/25/204142825.db2.gz USTPFRGTWAHRQL-UHFFFAOYSA-N 0 0 395.510 2.148 10 0 GEAERN COc1ccc(OC)c([C@@H]2SCC(=O)N2CC(=O)NCc2ccco2)c1 ZINC000006777168 204204813 /nfs/dbraw/zinc/20/48/13/204204813.db2.gz DAIZBKNQZIVFEQ-SFHVURJKSA-N 0 0 376.434 2.187 10 0 GEAERN CCCNC(=O)NC[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)NCCC ZINC000006764704 204202664 /nfs/dbraw/zinc/20/26/64/204202664.db2.gz ZFQXMCJIJKTAAO-MRXNPFEDSA-N 0 0 392.500 2.432 10 0 GEAERN COCCNC(=O)Cn1c2ccccc2c(=O)n(-c2ccc(C(C)C)cc2)c1=O ZINC000006776258 204203102 /nfs/dbraw/zinc/20/31/02/204203102.db2.gz ZFFLTQHEDPRLGF-UHFFFAOYSA-N 0 0 395.459 2.038 10 0 GEAERN Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1F ZINC000006893321 204221539 /nfs/dbraw/zinc/22/15/39/204221539.db2.gz CBWPXWPQNIXUPT-UHFFFAOYSA-N 0 0 392.408 2.268 10 0 GEAERN CN(C(=O)CCS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C1CCCCC1 ZINC000007003110 204229741 /nfs/dbraw/zinc/22/97/41/204229741.db2.gz MWZBKRYZUPQCHA-UHFFFAOYSA-N 0 0 380.466 2.086 10 0 GEAERN O=C(c1n[nH]c(=O)c2ccccc21)N1CCC[C@H](Nc2ccc3c(c2)OCO3)C1 ZINC000011665369 204348559 /nfs/dbraw/zinc/34/85/59/204348559.db2.gz SKMHBCKOVVOMDA-AWEZNQCLSA-N 0 0 392.415 2.369 10 0 GEAERN O=C(C[C@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O)N1CCCC1 ZINC000012164294 204378100 /nfs/dbraw/zinc/37/81/00/204378100.db2.gz QZJNIZNHRXXMIT-JOCHJYFZSA-N 0 0 377.444 2.291 10 0 GEAERN Cc1ncc2c(c1CNC(=O)[C@H]1CCCO1)CCN(C(=O)c1ccsc1)C2 ZINC000011996210 204366454 /nfs/dbraw/zinc/36/64/54/204366454.db2.gz YQZUXJODHHMFGF-GOSISDBHSA-N 0 0 385.489 2.445 10 0 GEAERN C[C@H]1CS(=O)(=O)N(c2ccc(Cl)c(C(=O)Nc3nccs3)c2)C1=O ZINC000012005265 204367164 /nfs/dbraw/zinc/36/71/64/204367164.db2.gz PRIYUKBMLAPEIJ-QMMMGPOBSA-N 0 0 385.854 2.361 10 0 GEAERN CC1(C)CS(=O)(=O)N(c2cc(C(=O)Nc3ncccn3)ccc2Cl)C1=O ZINC000012004742 204367643 /nfs/dbraw/zinc/36/76/43/204367643.db2.gz PTGGTFKMZRAVKC-UHFFFAOYSA-N 0 0 394.840 2.085 10 0 GEAERN COc1ccc(CNS(=O)(=O)c2ccc(N3C(=O)CCCC3=O)cc2)cc1 ZINC000012201897 204382233 /nfs/dbraw/zinc/38/22/33/204382233.db2.gz SYUPCHOEXRUGIM-UHFFFAOYSA-N 0 0 388.445 2.217 10 0 GEAERN CN(C[C@@H]1COCCO1)C(=O)c1cc(COc2ccc3ncccc3c2)on1 ZINC000015061906 204555366 /nfs/dbraw/zinc/55/53/66/204555366.db2.gz WNBVLAGPHUFAHV-QGZVFWFLSA-N 0 0 383.404 2.289 10 0 GEAERN O=C(NC[C@H](c1ccccn1)N1CCOCC1)Nc1nnc(C2CCC2)s1 ZINC000023192174 204800918 /nfs/dbraw/zinc/80/09/18/204800918.db2.gz YKIMBNHEHDBAFE-OAHLLOKOSA-N 0 0 388.497 2.396 10 0 GEAERN NC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)NC1CCCC1 ZINC000029038943 204886330 /nfs/dbraw/zinc/88/63/30/204886330.db2.gz GUXQEYYAPYACNB-UHFFFAOYSA-N 0 0 386.271 2.250 10 0 GEAERN Cc1ccc(-c2ncc(C(=O)NC[C@H]3CCCO3)c(N3CCN(C)CC3)n2)cc1 ZINC000035988893 205000244 /nfs/dbraw/zinc/00/02/44/205000244.db2.gz BIKVRDXPLHJPKX-GOSISDBHSA-N 0 0 395.507 2.113 10 0 GEAERN CCc1nnc(NC(=O)CSc2cc3c(nc(C)n(C)c3=O)s2)s1 ZINC000038805851 205039349 /nfs/dbraw/zinc/03/93/49/205039349.db2.gz WHYGQKLDUBLCCO-UHFFFAOYSA-N 0 0 381.508 2.448 10 0 GEAERN O=C(Cn1nc2nc(Nc3ccccc3)ccn2c1=O)NCc1ccc(F)cc1 ZINC000057507399 205160136 /nfs/dbraw/zinc/16/01/36/205160136.db2.gz ZSCXVTXJJKQRNV-UHFFFAOYSA-N 0 0 392.394 2.090 10 0 GEAERN Cc1ccc(CNC(=O)CCc2c(C)nn(-c3cc(N(C)C)ncn3)c2C)o1 ZINC000064925252 205200374 /nfs/dbraw/zinc/20/03/74/205200374.db2.gz HJJQSLZCANVGQQ-UHFFFAOYSA-N 0 0 382.468 2.496 10 0 GEAERN COc1ccc(Cn2nnc(C(=O)NC[C@H]3CCCO3)c2-n2cccc2)cc1 ZINC000064999505 205206450 /nfs/dbraw/zinc/20/64/50/205206450.db2.gz JFOZOCDZHCOOBM-QGZVFWFLSA-N 0 0 381.436 2.035 10 0 GEAERN O=C(NC1CCCCC1)c1nc(CCS(=O)(=O)c2ccc(F)cc2)no1 ZINC000065117488 205211475 /nfs/dbraw/zinc/21/14/75/205211475.db2.gz HPJPMAGWZUNFGC-UHFFFAOYSA-N 0 0 381.429 2.288 10 0 GEAERN CCN1CCn2cc(S(=O)(=O)NCc3ccc(F)cc3Cl)cc2C1=O ZINC000065254725 205223379 /nfs/dbraw/zinc/22/33/79/205223379.db2.gz YKNFGPPKLQKQRA-UHFFFAOYSA-N 0 0 385.848 2.235 10 0 GEAERN Cn1ncc(N2CCC[C@H](C(=O)NCc3ccc(F)cc3Cl)C2)cc1=O ZINC000065313747 205229457 /nfs/dbraw/zinc/22/94/57/205229457.db2.gz HEMULCZLGFBIBA-ZDUSSCGKSA-N 0 0 378.835 2.106 10 0 GEAERN CC(C)N1CCn2nc(C(=O)N(C)CCc3nc4cc(F)ccc4[nH]3)cc2C1 ZINC000067541243 205249226 /nfs/dbraw/zinc/24/92/26/205249226.db2.gz FBOXSPDOXVMDOS-UHFFFAOYSA-N 0 0 384.459 2.437 10 0 GEAERN COCCOc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc21 ZINC000085392294 205399908 /nfs/dbraw/zinc/39/99/08/205399908.db2.gz IGKVFPAJFVNHGN-UHFFFAOYSA-N 0 0 384.417 2.136 10 0 GEAERN CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1=NS(=O)(=O)c2ccccc21 ZINC000095075475 205436381 /nfs/dbraw/zinc/43/63/81/205436381.db2.gz BMMBWNLBGPXEIJ-CYBMUJFWSA-N 0 0 379.482 2.324 10 0 GEAERN C[C@H](NC(=O)c1nn(C)c2c1CS(=O)(=O)CC2)c1ccc(-n2cccc2)cc1 ZINC000041070430 205612906 /nfs/dbraw/zinc/61/29/06/205612906.db2.gz GPRXUEUBJIPPEZ-AWEZNQCLSA-N 0 0 398.488 2.173 10 0 GEAERN Cc1cccc(Cn2ccc(NC(=O)COc3ccc(-n4cnnn4)cc3)n2)c1 ZINC000028239042 206039873 /nfs/dbraw/zinc/03/98/73/206039873.db2.gz AFAIZDWDGBHGIX-UHFFFAOYSA-N 0 0 389.419 2.233 10 0 GEAERN O=S(=O)(c1ccc2c(c1)OCCCO2)N1CC[C@H](Oc2cccnc2)C1 ZINC000097015630 206123925 /nfs/dbraw/zinc/12/39/25/206123925.db2.gz DYPMUGHFQKHBLS-HNNXBMFYSA-N 0 0 376.434 2.085 10 0 GEAERN O=S(=O)(c1ccc2c(c1)OCCCO2)N1CC[C@@H](Oc2cccnc2)C1 ZINC000097015627 206124443 /nfs/dbraw/zinc/12/44/43/206124443.db2.gz DYPMUGHFQKHBLS-OAHLLOKOSA-N 0 0 376.434 2.085 10 0 GEAERN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccnn1[C@H]1CCCCO1 ZINC000253495173 206149899 /nfs/dbraw/zinc/14/98/99/206149899.db2.gz DEXIPQUXBZCYQE-CQSZACIVSA-N 0 0 375.425 2.163 10 0 GEAERN COCc1nn2c(nc(COC(=O)COc3ccc(C)c(C)c3)cc2=O)s1 ZINC000041077322 206194976 /nfs/dbraw/zinc/19/49/76/206194976.db2.gz HJSAYFVEUYENMZ-UHFFFAOYSA-N 0 0 389.433 2.036 10 0 GEAERN COC(=O)Cc1nn(CC(=O)Nc2cccc(Cl)c2)c(=O)c2ccccc12 ZINC000040384888 206193142 /nfs/dbraw/zinc/19/31/42/206193142.db2.gz DMZYNJZJLPDCGS-UHFFFAOYSA-N 0 0 385.807 2.404 10 0 GEAERN COC(=O)Cc1nn(CC(=O)Nc2ccc(Cl)cc2)c(=O)c2ccccc12 ZINC000040384885 206193199 /nfs/dbraw/zinc/19/31/99/206193199.db2.gz WAPIRHPGPXMIKA-UHFFFAOYSA-N 0 0 385.807 2.404 10 0 GEAERN Cc1noc([C@]2(O)CCN(S(=O)(=O)c3cc(Cl)sc3Cl)C2)n1 ZINC000275322268 532872331 /nfs/dbraw/zinc/87/23/31/532872331.db2.gz PECBQRGMYSCKSY-NSHDSACASA-N 0 0 384.266 2.029 10 0 GEAERN O=S(=O)(c1cccs1)N1CCN=C1N1CCN(c2ccc(F)cc2)CC1 ZINC000064929806 136158224 /nfs/dbraw/zinc/15/82/24/136158224.db2.gz LGTCORZHXNGBLR-UHFFFAOYSA-N 0 0 394.497 2.070 10 0 GEAERN Cc1cc(C)c2c(n1)nc(C(=O)N[C@@H](C)c1cccnc1)nc2N1CCOCC1 ZINC000065232053 136160674 /nfs/dbraw/zinc/16/06/74/136160674.db2.gz YUBNUBIDSXMWEC-HNNXBMFYSA-N 0 0 392.463 2.364 10 0 GEAERN Cc1nccnc1N1CCC2(CC1)c1ccccc1[C@@H](N1CCOCC1)[C@@H]2O ZINC000019145447 136202602 /nfs/dbraw/zinc/20/26/02/136202602.db2.gz QVDJTXJYZYOQIK-UXHICEINSA-N 0 0 380.492 2.071 10 0 GEAERN CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccnc(N2CCOCC2)n1 ZINC000224217722 136206443 /nfs/dbraw/zinc/20/64/43/136206443.db2.gz RFZOKQSLILYOLO-UHFFFAOYSA-N 0 0 390.871 2.440 10 0 GEAERN Cc1cc(N2CCOCC2)nc(CNS(=O)(=O)c2ccc3ccccc3c2)n1 ZINC000224182717 136206490 /nfs/dbraw/zinc/20/64/90/136206490.db2.gz VJRRRNMCPFNCIV-UHFFFAOYSA-N 0 0 398.488 2.253 10 0 GEAERN COc1ccc(Cl)cc1NC(=O)NCc1ccnc(N2CCOCC2)n1 ZINC000224219198 136206608 /nfs/dbraw/zinc/20/66/08/136206608.db2.gz PYLHRCHRKNEDGG-UHFFFAOYSA-N 0 0 377.832 2.297 10 0 GEAERN CCO[C@@H](C)c1noc(CNC(=O)[C@@H]2CCCN2c2ncnc3ccccc32)n1 ZINC000089984990 520282423 /nfs/dbraw/zinc/28/24/23/520282423.db2.gz HFXBSWVBTTXZJD-BBRMVZONSA-N 0 0 396.451 2.396 10 0 GEAERN COc1cc([C@H]2Oc3c(OC)cc4ccc(=O)oc4c3O[C@H]2CO)ccc1O ZINC000006017941 560204294 /nfs/dbraw/zinc/20/42/94/560204294.db2.gz OCBGWPJNUZMLCA-DOTOQJQBSA-N 0 0 386.356 2.389 10 0 in-vitro GEAERN Cc1cccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCC[C@@H]2c2ccccn2)c1 ZINC000019795255 570220017 /nfs/dbraw/zinc/22/00/17/570220017.db2.gz UAAVIIWCMQNSKI-NHCUHLMSSA-N 0 0 392.503 2.444 10 0 GEAERN CCCCn1nc(C(=O)OC)c([C@H]2COCCN2C(=O)OC(C)(C)C)c1N ZINC000725254395 570272921 /nfs/dbraw/zinc/27/29/21/570272921.db2.gz NDLMMAHXVLIJAT-GFCCVEGCSA-N 0 0 382.461 2.360 10 0 GEAERN COCCNC(=O)[C@@H]1C[C@H](c2ccc(F)c(C)c2)CN(C(=O)NC(C)C)C1 ZINC000034716239 570319446 /nfs/dbraw/zinc/31/94/46/570319446.db2.gz RZCUDYUXCVXBHT-DLBZAZTESA-N 0 0 379.476 2.420 10 0 GEAERN CN1C(=O)C[C@](CC(=O)N2CCOCC2)(c2ccc(-c3ccccc3)cc2)C1=O ZINC000015004183 570693614 /nfs/dbraw/zinc/69/36/14/570693614.db2.gz BULDBNMTEXMPFE-QHCPKHFHSA-N 0 0 392.455 2.229 10 0 GEAERN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC(C)C)Cc1ccco1 ZINC000027914269 570703085 /nfs/dbraw/zinc/70/30/85/570703085.db2.gz BKDFBKUFSWNTOL-UHFFFAOYSA-N 0 0 380.466 2.312 10 0 GEAERN CC(C)N1CCCn2cc(S(=O)(=O)NCc3ccc(F)cc3)cc2C1=O ZINC000065258822 570761388 /nfs/dbraw/zinc/76/13/88/570761388.db2.gz OUJRWCNTHAUERU-UHFFFAOYSA-N 0 0 379.457 2.360 10 0 GEAERN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)S(=O)(=O)/C=C/c1ccccc1 ZINC000008515202 642352673 /nfs/dbraw/zinc/35/26/73/642352673.db2.gz SCWRYNOCDLJXIA-FNDVETGQSA-N 0 0 380.491 2.328 10 0 GEAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1cncc(Br)c1 ZINC000011007139 642365642 /nfs/dbraw/zinc/36/56/42/642365642.db2.gz XWCSMZPURGQOPR-ZDUSSCGKSA-N 0 0 381.251 2.493 10 0 GEAERN CCN1CCC[C@@H](NS(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000041066912 642525425 /nfs/dbraw/zinc/52/54/25/642525425.db2.gz LSAQWBASWYGNGG-SNVBAGLBSA-N 0 0 382.711 2.260 10 0 GEAERN COc1ccc(Br)cc1S(=O)(=O)N1CCN2CCCC[C@@H]2C1 ZINC000045815958 642598744 /nfs/dbraw/zinc/59/87/44/642598744.db2.gz MTERLUNDADNBJF-CYBMUJFWSA-N 0 0 389.315 2.317 10 0 GEAERN O=C(CN1CCC[C@H]1CCCO)Nc1ccccc1I ZINC000052761867 642727371 /nfs/dbraw/zinc/72/73/71/642727371.db2.gz BNBOMIKECLXEAL-LBPRGKRZSA-N 0 0 388.249 2.467 10 0 GEAERN Cc1nn(-c2ccc(Br)cc2)c(C)c1[C@H]1NC(=O)[C@H]2COCCN21 ZINC000093884283 643081387 /nfs/dbraw/zinc/08/13/87/643081387.db2.gz QTXHJEKMNMXCQC-ZBFHGGJFSA-N 0 0 391.269 2.081 10 0 GEAERN Cc1nn(Cc2ccccc2Cl)c(Cl)c1[C@H]1NC(=O)[C@@H]2COCCN21 ZINC000093884845 643081468 /nfs/dbraw/zinc/08/14/68/643081468.db2.gz NTLUPYNNIKKLDI-BBRMVZONSA-N 0 0 381.263 2.376 10 0 GEAERN O=S(=O)(NC[C@@H]1CCCC[C@@H]1O)c1cc(Br)cnc1Cl ZINC000096846001 643090791 /nfs/dbraw/zinc/09/07/91/643090791.db2.gz YBLIQLYEKAFOPY-WPRPVWTQSA-N 0 0 383.695 2.327 10 0 GEAERN C[C@H](NCC(=O)NC(=O)NCC(F)(F)F)c1ccccc1Br ZINC000102684048 643132829 /nfs/dbraw/zinc/13/28/29/643132829.db2.gz POVJDTVACBPHQM-QMMMGPOBSA-N 0 0 382.180 2.488 10 0 GEAERN Cc1csc([C@@H]2CN(CCC(=O)Nc3sccc3C(N)=O)CCO2)n1 ZINC000103473192 643167650 /nfs/dbraw/zinc/16/76/50/643167650.db2.gz OXPLLIYAGWHQBV-LBPRGKRZSA-N 0 0 380.495 2.014 10 0 GEAERN Cc1[nH]c2ccnn2c(=O)c1CC(=O)Oc1ccc(F)cc1Br ZINC000103731945 643172370 /nfs/dbraw/zinc/17/23/70/643172370.db2.gz GIFTYMNTUROWLU-UHFFFAOYSA-N 0 0 380.173 2.381 10 0 GEAERN C[C@H](NC(=O)c1sccc1OC(F)F)c1ccc(S(N)(=O)=O)cc1 ZINC000104204685 643179513 /nfs/dbraw/zinc/17/95/13/643179513.db2.gz UGYBRWOBOLQSEK-QMMMGPOBSA-N 0 0 376.406 2.488 10 0 GEAERN C[C@@H](NC(=O)c1sccc1OC(F)F)c1ccc(S(N)(=O)=O)cc1 ZINC000104204688 643179525 /nfs/dbraw/zinc/17/95/25/643179525.db2.gz UGYBRWOBOLQSEK-MRVPVSSYSA-N 0 0 376.406 2.488 10 0 GEAERN Cc1nc(-c2ccc(CCNC(=O)NC[C@H]3CN(C)CCO3)s2)cs1 ZINC000104799212 643194919 /nfs/dbraw/zinc/19/49/19/643194919.db2.gz CBHOUTJQBVTFQI-ZDUSSCGKSA-N 0 0 380.539 2.352 10 0 GEAERN COCCN1CCN(CC(=O)Nc2nc(-c3cccs3)cs2)C[C@H]1C ZINC000106107391 643222329 /nfs/dbraw/zinc/22/23/29/643222329.db2.gz CXCAVRDTEHIVMY-CYBMUJFWSA-N 0 0 380.539 2.463 10 0 GEAERN Cc1cc(NC(=O)CN2CCO[C@H](Cn3cccn3)C2)ccc1Br ZINC000106191483 643224803 /nfs/dbraw/zinc/22/48/03/643224803.db2.gz ZCPVCFXHADOBJR-HNNXBMFYSA-N 0 0 393.285 2.294 10 0 GEAERN O[C@H](COc1ccc(Cl)cc1Cl)CN1CCO[C@H](Cn2cccn2)C1 ZINC000106189289 643224880 /nfs/dbraw/zinc/22/48/80/643224880.db2.gz YVNPYHCIFHHCFK-GJZGRUSLSA-N 0 0 386.279 2.331 10 0 GEAERN COC(=O)c1sccc1S(=O)(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000106368711 643229253 /nfs/dbraw/zinc/22/92/53/643229253.db2.gz SYLSNBBZQJWGNG-LBPRGKRZSA-N 0 0 383.495 2.411 10 0 GEAERN O=C(NCc1cccc(Br)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111844546 643348339 /nfs/dbraw/zinc/34/83/39/643348339.db2.gz RJWXMIOXEJZFJB-OAHLLOKOSA-N 0 0 379.258 2.256 10 0 GEAERN C[C@@H](Oc1ccccc1Br)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000112297841 643358785 /nfs/dbraw/zinc/35/87/85/643358785.db2.gz GWYYAQUGJIUHSG-KGLIPLIRSA-N 0 0 394.269 2.341 10 0 GEAERN CCn1cc(CN2CCCN(S(=O)(=O)c3cc(C)sc3C)CC2)cn1 ZINC000112707445 643370179 /nfs/dbraw/zinc/37/01/79/643370179.db2.gz WXXQVQYPMDWJTE-UHFFFAOYSA-N 0 0 382.555 2.478 10 0 GEAERN C[C@H](Cc1cccc(Br)c1)NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112746241 643372550 /nfs/dbraw/zinc/37/25/50/643372550.db2.gz USZLIXJYQGFBHB-BXUZGUMPSA-N 0 0 378.274 2.286 10 0 GEAERN COC(=O)C[C@H](NC(=O)CNCC(F)(F)F)c1cccc(Br)c1 ZINC000112879042 643375853 /nfs/dbraw/zinc/37/58/53/643375853.db2.gz UNPRIMPEHVUFNS-NSHDSACASA-N 0 0 397.191 2.321 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)N(C)Cc1ccc(Br)o1)CC2 ZINC000114978430 643428899 /nfs/dbraw/zinc/42/88/99/643428899.db2.gz YLFJRFMDEQSZAI-JTQLQIEISA-N 0 0 382.262 2.352 10 0 GEAERN Cn1cc(CN2CCCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cn1 ZINC000115580994 643442033 /nfs/dbraw/zinc/44/20/33/643442033.db2.gz LCTDPAASNHNVLI-UHFFFAOYSA-N 0 0 386.880 2.109 10 0 GEAERN Cn1cc([C@H]2CCN(S(=O)(=O)c3ccccc3OC(F)(F)F)C2)cn1 ZINC000116369999 643461006 /nfs/dbraw/zinc/46/10/06/643461006.db2.gz CTHNEUSRNHUYJD-NSHDSACASA-N 0 0 375.372 2.497 10 0 GEAERN Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116587885 643465516 /nfs/dbraw/zinc/46/55/16/643465516.db2.gz ZDPPQPCYBXQIAV-GFCCVEGCSA-N 0 0 391.269 2.446 10 0 GEAERN Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116586937 643465573 /nfs/dbraw/zinc/46/55/73/643465573.db2.gz DRVAGLSHJJNORF-GFCCVEGCSA-N 0 0 391.269 2.446 10 0 GEAERN COCCN1CCN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C[C@@H]1C ZINC000117369305 643489463 /nfs/dbraw/zinc/48/94/63/643489463.db2.gz AKSTWIJBFNPICX-NSHDSACASA-N 0 0 384.395 2.186 10 0 GEAERN Cc1cnn(CCNC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)c1 ZINC000118077798 643504989 /nfs/dbraw/zinc/50/49/89/643504989.db2.gz RHLFKKYAMRKIRZ-LBPRGKRZSA-N 0 0 387.267 2.237 10 0 GEAERN Cc1ccccc1[C@H](C)NC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000119837152 643574078 /nfs/dbraw/zinc/57/40/78/643574078.db2.gz ZEPXMWKJJXKMPX-UONOGXRCSA-N 0 0 382.507 2.252 10 0 GEAERN CS(=O)(=O)N1CCC[C@H](C(=O)Oc2ccc(F)cc2Br)C1 ZINC000119978987 643582894 /nfs/dbraw/zinc/58/28/94/643582894.db2.gz FFNSXKYESVRZAP-VIFPVBQESA-N 0 0 380.235 2.165 10 0 GEAERN Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)n1 ZINC000120252735 643596734 /nfs/dbraw/zinc/59/67/34/643596734.db2.gz QTAZSMXYJXXCED-YMTOWFKASA-N 0 0 384.267 2.092 10 0 GEAERN COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(C)c(Br)s2)C[C@@H]1C ZINC000124983112 643696862 /nfs/dbraw/zinc/69/68/62/643696862.db2.gz KQGDMOUZTLWOPU-DTWKUNHWSA-N 0 0 382.301 2.249 10 0 GEAERN CCc1nc2n(n1)CCC[C@@H]2N[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000126028546 643719129 /nfs/dbraw/zinc/71/91/29/643719129.db2.gz GNSVVBVNPQGYSB-JSGCOSHPSA-N 0 0 396.264 2.393 10 0 GEAERN Cc1noc([C@H](C)N2CCN(C(=O)Nc3cncc(Br)c3)CC2)n1 ZINC000126548710 643734818 /nfs/dbraw/zinc/73/48/18/643734818.db2.gz MHUTZPIFBPUSOX-JTQLQIEISA-N 0 0 395.261 2.446 10 0 GEAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C)ccc2Br)C1 ZINC000127138153 643759283 /nfs/dbraw/zinc/75/92/83/643759283.db2.gz BQFTXCRTSAKQJR-LLVKDONJSA-N 0 0 376.272 2.331 10 0 GEAERN Cc1noc([C@H](C)N2CCN(S(=O)(=O)c3cc(C)ccc3Cl)CC2)n1 ZINC000127354137 643772805 /nfs/dbraw/zinc/77/28/05/643772805.db2.gz XVLFSGNTWSOBPM-LBPRGKRZSA-N 0 0 384.889 2.407 10 0 GEAERN C[C@H]1COC[C@H](C)N1C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000130295523 643833575 /nfs/dbraw/zinc/83/35/75/643833575.db2.gz LSIOGZUIGRKAJG-UWVGGRQHSA-N 0 0 376.272 2.102 10 0 GEAERN CCOC(=O)[C@@H](N[C@@H]1CCc2ncnn2C1)c1ccc(Br)cc1F ZINC000132970433 643890327 /nfs/dbraw/zinc/89/03/27/643890327.db2.gz QWFQEJDIYJEOEW-ABAIWWIYSA-N 0 0 397.248 2.389 10 0 GEAERN CCS(=O)(=O)NCCCN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000151894059 643959267 /nfs/dbraw/zinc/95/92/67/643959267.db2.gz INBBXJFEOXGXLW-LSDHHAIUSA-N 0 0 380.432 2.143 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)Cc3cc(Br)ccc3F)CCO2)[nH]1 ZINC000153224177 643981754 /nfs/dbraw/zinc/98/17/54/643981754.db2.gz GXKFMTVLOITZCX-ZDUSSCGKSA-N 0 0 383.221 2.157 10 0 GEAERN CCN1CCN(CC(=O)N[C@H](C)c2c(Cl)ccc(F)c2Cl)C(=O)C1=O ZINC000154450637 644042224 /nfs/dbraw/zinc/04/22/24/644042224.db2.gz OXDSZMXBMUPWLJ-SECBINFHSA-N 0 0 390.242 2.000 10 0 GEAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccccc1Br ZINC000157045824 644127848 /nfs/dbraw/zinc/12/78/48/644127848.db2.gz RYXYGSQDRBMQKC-NSHDSACASA-N 0 0 385.287 2.416 10 0 GEAERN CCCC(=O)N[C@@H]1CCCN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000157115599 644131317 /nfs/dbraw/zinc/13/13/17/644131317.db2.gz JKRVOXWBTCUQTD-GFCCVEGCSA-N 0 0 386.901 2.264 10 0 GEAERN CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)NCCc1cscn1 ZINC000159275784 644184490 /nfs/dbraw/zinc/18/44/90/644184490.db2.gz IVBUTAJAZFGPFQ-HNNXBMFYSA-N 0 0 380.539 2.462 10 0 GEAERN O=C(COc1ccccc1Br)N1CCC[C@H](Cn2cncn2)C1 ZINC000162514256 644238345 /nfs/dbraw/zinc/23/83/45/644238345.db2.gz MMAPGTLLDCFOBI-ZDUSSCGKSA-N 0 0 379.258 2.358 10 0 GEAERN Cc1[nH]c(=O)c(C(=O)N2CCC(Nc3cccnn3)CC2)cc1Br ZINC000163158588 644250519 /nfs/dbraw/zinc/25/05/19/644250519.db2.gz FVBKXDONVFZVGY-UHFFFAOYSA-N 0 0 392.257 2.365 10 0 GEAERN C[C@H](Cc1ccccc1Br)NC(=O)NC[C@@H](C)N1CCOCC1 ZINC000164358566 644263809 /nfs/dbraw/zinc/26/38/09/644263809.db2.gz IKDHTVHZPGSGDF-ZIAGYGMSSA-N 0 0 384.318 2.400 10 0 GEAERN CC[C@@H](O)CN1CCN(C(=O)Cc2c[nH]c3cc(Br)ccc23)CC1 ZINC000164509312 644265649 /nfs/dbraw/zinc/26/56/49/644265649.db2.gz KPQALGUMYTVPQC-OAHLLOKOSA-N 0 0 394.313 2.388 10 0 GEAERN C[C@H]1C[C@@H]1NC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000170807549 644288235 /nfs/dbraw/zinc/28/82/35/644288235.db2.gz ATFMCQHHYIQSBH-QWRGUYRKSA-N 0 0 377.919 2.216 10 0 GEAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000170822035 644289537 /nfs/dbraw/zinc/28/95/37/644289537.db2.gz PTQNFTRHFUHOJI-ANLVUFKYSA-N 0 0 380.132 2.033 10 0 GEAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1cc(Br)c[nH]c1=O ZINC000171026200 644302196 /nfs/dbraw/zinc/30/21/96/644302196.db2.gz JGJWRPIPQOVVSH-VIFPVBQESA-N 0 0 379.214 2.286 10 0 GEAERN COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2cnn(C)c2)c(Cl)c1 ZINC000171431743 644321781 /nfs/dbraw/zinc/32/17/81/644321781.db2.gz QVPBAPKRWUJCGJ-CQSZACIVSA-N 0 0 383.857 2.386 10 0 GEAERN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCS[C@@H](C)C3)CC2)cc1 ZINC000171582779 644328377 /nfs/dbraw/zinc/32/83/77/644328377.db2.gz OZCGFYHHVZMKMR-HNNXBMFYSA-N 0 0 382.551 2.360 10 0 GEAERN C[C@@H](NC(=O)CN1CC[C@H](N2CCOCC2)C1)c1ccc(Br)cc1 ZINC000172805794 644344889 /nfs/dbraw/zinc/34/48/89/644344889.db2.gz DWIQBSDJHLSGEH-PBHICJAKSA-N 0 0 396.329 2.033 10 0 GEAERN CCOC(=O)C[C@H](NS(=O)(=O)c1ncn(C)c1Cl)c1ccccc1C ZINC000175364110 644389189 /nfs/dbraw/zinc/38/91/89/644389189.db2.gz WKLXTQXCXIAQTK-ZDUSSCGKSA-N 0 0 385.873 2.355 10 0 GEAERN COc1ccc(Br)c(NC(=O)C(=O)N[C@H]2CCCC[C@H]2CO)c1 ZINC000177550278 644416990 /nfs/dbraw/zinc/41/69/90/644416990.db2.gz GDFYDJURFYLSIT-GWCFXTLKSA-N 0 0 385.258 2.064 10 0 GEAERN Cc1nc(S(=O)(=O)N2CCC[C@H]2c2cnn(C)c2)sc1Br ZINC000180065215 644486166 /nfs/dbraw/zinc/48/61/66/644486166.db2.gz NWYKKDMGZCSVJZ-JTQLQIEISA-N 0 0 391.316 2.473 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)C[C@H](O)c3cc(Cl)cc(Cl)c3)CCO2)[nH]1 ZINC000180067582 644486879 /nfs/dbraw/zinc/48/68/79/644486879.db2.gz KQWLISRXIYOUSH-KBPBESRZSA-N 0 0 385.251 2.444 10 0 GEAERN CC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2O)ccc1Br ZINC000180340658 644500637 /nfs/dbraw/zinc/50/06/37/644500637.db2.gz PKZHIKGCEPKHDR-NHYWBVRUSA-N 0 0 390.299 2.481 10 0 GEAERN CC(=O)c1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2CO)ccc1Br ZINC000180452715 644504145 /nfs/dbraw/zinc/50/41/45/644504145.db2.gz DQLNGAMSHMDKNW-NHYWBVRUSA-N 0 0 390.299 2.481 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1ccc(Br)nc1C)CC2 ZINC000181330316 644531062 /nfs/dbraw/zinc/53/10/62/644531062.db2.gz LSQBVXODKDWITJ-JTQLQIEISA-N 0 0 379.262 2.443 10 0 GEAERN C[C@H](NC(=O)NCC(=O)N1CCOCC1)c1c(Cl)ccc(F)c1Cl ZINC000183499382 644996070 /nfs/dbraw/zinc/99/60/70/644996070.db2.gz ZABUGWNXKPNQAZ-VIFPVBQESA-N 0 0 378.231 2.352 10 0 GEAERN C[C@H](NCC(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccc(F)cc1Cl ZINC000183792344 645003554 /nfs/dbraw/zinc/00/35/54/645003554.db2.gz NNXVJVZWPNYCOA-JTQLQIEISA-N 0 0 385.848 2.416 10 0 GEAERN COc1cc(Br)ccc1CNC(=O)N[C@@H]1CCCn2ncnc21 ZINC000187026098 645079354 /nfs/dbraw/zinc/07/93/54/645079354.db2.gz VPCOVDHPTHVFNI-GFCCVEGCSA-N 0 0 380.246 2.384 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)NCc3cc(Br)ccc3C)CCO2)[nH]1 ZINC000187632303 645095767 /nfs/dbraw/zinc/09/57/67/645095767.db2.gz RDLZJIUHCQKEIG-CQSZACIVSA-N 0 0 394.273 2.467 10 0 GEAERN NC(=O)CSc1ccccc1C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187628788 645095862 /nfs/dbraw/zinc/09/58/62/645095862.db2.gz LFGCKGJGTPSZOY-ZFWWWQNUSA-N 0 0 376.503 2.174 10 0 GEAERN O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CC[C@@H](N2CCOCC2)C1 ZINC000188058327 645106723 /nfs/dbraw/zinc/10/67/23/645106723.db2.gz XAKWPKURLICUFT-SNVBAGLBSA-N 0 0 383.272 2.228 10 0 GEAERN COC(=O)c1cc(S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C)ccc1Cl ZINC000188221610 645110378 /nfs/dbraw/zinc/11/03/78/645110378.db2.gz ASWPVVADNAMPRX-LBPRGKRZSA-N 0 0 376.906 2.381 10 0 GEAERN O=C(NC[C@@H]1CCCC[C@@H]1O)c1cc(I)ccc1O ZINC000228128845 645394979 /nfs/dbraw/zinc/39/49/79/645394979.db2.gz VIOQSULMONAMCW-CABZTGNLSA-N 0 0 375.206 2.278 10 0 GEAERN Nc1nc(Br)n(Cc2ccc(I)cc2)n1 ZINC000231802838 645404171 /nfs/dbraw/zinc/40/41/71/645404171.db2.gz YHTMZIXBPLVVAO-UHFFFAOYSA-N 0 0 378.999 2.276 10 0 GEAERN CCS(=O)(=O)NCCCN1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000245507774 645457013 /nfs/dbraw/zinc/45/70/13/645457013.db2.gz INBBXJFEOXGXLW-CABCVRRESA-N 0 0 380.432 2.143 10 0 GEAERN CCn1cnnc1[C@H]1CCCN([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000245787279 645469041 /nfs/dbraw/zinc/46/90/41/645469041.db2.gz NDIBXZDODWYCHP-DZGCQCFKSA-N 0 0 392.301 2.467 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)C[C@H]1C ZINC000245861939 645471003 /nfs/dbraw/zinc/47/10/03/645471003.db2.gz DOLCDJSUISDERN-CYBMUJFWSA-N 0 0 378.897 2.352 10 0 GEAERN Cc1cc2c(cc1Br)N(C[C@@H](O)CN1CCCC1=O)C[C@H](C)O2 ZINC000246183462 645477840 /nfs/dbraw/zinc/47/78/40/645477840.db2.gz UKWGVXYVXMNGNV-STQMWFEESA-N 0 0 383.286 2.328 10 0 GEAERN COCCN1CCN(CC(=O)N[C@H](C)c2ccc(Br)cc2)C[C@H]1C ZINC000247560205 645513482 /nfs/dbraw/zinc/51/34/82/645513482.db2.gz FXLMMKQFXATVSG-HUUCEWRRSA-N 0 0 398.345 2.279 10 0 GEAERN Cc1nnc([C@@H]2CN(C[C@@H](O)COc3ccc(Cl)cc3Cl)CCO2)[nH]1 ZINC000247705179 645516712 /nfs/dbraw/zinc/51/67/12/645516712.db2.gz YTMBSXJWOCWYKB-DOMZBBRYSA-N 0 0 387.267 2.233 10 0 GEAERN NS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)/C=C\c1ccccc1)CCC2 ZINC000255000702 645574552 /nfs/dbraw/zinc/57/45/52/645574552.db2.gz HSOZBVADDAIOKR-BENRWUELSA-N 0 0 378.475 2.087 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000262448195 645630374 /nfs/dbraw/zinc/63/03/74/645630374.db2.gz DQOIIWJRMDYKBY-UHFFFAOYSA-N 0 0 381.281 2.209 10 0 GEAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000262952520 645648806 /nfs/dbraw/zinc/64/88/06/645648806.db2.gz JBEDBSKGPDZYFK-NSHDSACASA-N 0 0 378.853 2.039 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000263190986 645657065 /nfs/dbraw/zinc/65/70/65/645657065.db2.gz STCUENGOVRICBL-UHFFFAOYSA-N 0 0 387.249 2.184 10 0 GEAERN Cc1cccc(S(=O)(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)c1Cl ZINC000263465953 645666042 /nfs/dbraw/zinc/66/60/42/645666042.db2.gz GEEHSVHCASQWFT-UHFFFAOYSA-N 0 0 386.901 2.254 10 0 GEAERN CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@@H]1c1ncc[nH]1 ZINC000328633966 647311651 /nfs/dbraw/zinc/31/16/51/647311651.db2.gz SYJVMSUWHGVRCC-GFCCVEGCSA-N 0 0 375.281 2.394 10 0 GEAERN Cc1nccn1[C@H]1CCCN(C(=O)c2cc3ncc(Br)cn3n2)C1 ZINC000900597300 654072077 /nfs/dbraw/zinc/07/20/77/654072077.db2.gz IVSNHPPYVZGIMT-ZDUSSCGKSA-N 0 0 389.257 2.474 10 0 GEAERN CS(=O)(=O)CCN(C(=O)N[C@H](Cc1ccccc1)C(F)(F)F)C1CC1 ZINC000151646378 531512527 /nfs/dbraw/zinc/51/25/27/531512527.db2.gz OERSBXLWNYXQDN-CQSZACIVSA-N 0 0 378.416 2.379 10 0 GEAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)Nc1nnc(C(F)(F)F)s1)CC2 ZINC000151640641 531512695 /nfs/dbraw/zinc/51/26/95/531512695.db2.gz WASJZUQJHIKSMY-ZETCQYMHSA-N 0 0 375.380 2.408 10 0 GEAERN O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000151541880 531507632 /nfs/dbraw/zinc/50/76/32/531507632.db2.gz LVCJPWCVJVIJCP-OAHLLOKOSA-N 0 0 379.309 2.230 10 0 GEAERN C[C@@H](NC(=O)N(C)C1CCN(S(C)(=O)=O)CC1)c1ccc(F)c(F)c1 ZINC000151557984 531510200 /nfs/dbraw/zinc/51/02/00/531510200.db2.gz HURBNBBJZVPDON-LLVKDONJSA-N 0 0 375.441 2.091 10 0 GEAERN CCCN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)CC1 ZINC000015730451 531567799 /nfs/dbraw/zinc/56/77/99/531567799.db2.gz AAKZUZYXTDLXQU-ZDUSSCGKSA-N 0 0 383.539 2.226 10 0 GEAERN CC[C@@H](O)CN1CCN(C(=O)Cc2c[nH]c3cccc(Br)c23)CC1 ZINC000153365027 531596884 /nfs/dbraw/zinc/59/68/84/531596884.db2.gz QTAOJGACLXMZTM-CQSZACIVSA-N 0 0 394.313 2.388 10 0 GEAERN CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000153530301 531602557 /nfs/dbraw/zinc/60/25/57/531602557.db2.gz ZYUBGLWXVZWSDR-QWHCGFSZSA-N 0 0 380.432 2.240 10 0 GEAERN C[C@H](CNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl)N1CCOCC1 ZINC000041601114 531665686 /nfs/dbraw/zinc/66/56/86/531665686.db2.gz HTRXPJMDGVBDPI-SECBINFHSA-N 0 0 394.686 2.422 10 0 GEAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)COc1cccc(Br)c1 ZINC000155414039 531682856 /nfs/dbraw/zinc/68/28/56/531682856.db2.gz YDRZBSKDBDDWAN-CYBMUJFWSA-N 0 0 395.257 2.217 10 0 GEAERN Cc1noc([C@@H]2COCCN2C(=O)c2ccc(I)cc2)n1 ZINC000155504946 531686982 /nfs/dbraw/zinc/68/69/82/531686982.db2.gz STWVEOCQHDFVPZ-LBPRGKRZSA-N 0 0 399.188 2.196 10 0 GEAERN COC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000155750619 531698183 /nfs/dbraw/zinc/69/81/83/531698183.db2.gz XYEQDSBHFLQPFN-LBPRGKRZSA-N 0 0 387.205 2.081 10 0 GEAERN Cn1cc([C@H]2[C@H](C(=O)Nc3cncc(Br)c3)CCC(=O)N2C)cn1 ZINC000155878510 531702857 /nfs/dbraw/zinc/70/28/57/531702857.db2.gz ROGHOXLCXXNENS-HIFRSBDPSA-N 0 0 392.257 2.126 10 0 GEAERN O=C(Nc1ccc(Cl)c(Br)c1)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000156243467 531723398 /nfs/dbraw/zinc/72/33/98/531723398.db2.gz OACXLMSBELXVQY-NEPJUHHUSA-N 0 0 375.650 2.461 10 0 GEAERN Cn1cc(NC(=O)N2CCO[C@@H](c3nccs3)C2)cc(Br)c1=O ZINC000156099793 531715374 /nfs/dbraw/zinc/71/53/74/531715374.db2.gz PRLCADHYPDKGAQ-LLVKDONJSA-N 0 0 399.270 2.210 10 0 GEAERN c1csc([C@H]2CN(CCCN3CCO[C@H](c4nccs4)C3)CCO2)n1 ZINC000157751797 531752575 /nfs/dbraw/zinc/75/25/75/531752575.db2.gz XSNOCQOSDWXGID-GASCZTMLSA-N 0 0 380.539 2.437 10 0 GEAERN CC(C)c1nc2n(n1)C[C@@H](N[C@H](C(N)=O)c1cccc(Br)c1)CC2 ZINC000162115307 531834990 /nfs/dbraw/zinc/83/49/90/531834990.db2.gz WMWAAHWOKVAOQK-ZFWWWQNUSA-N 0 0 392.301 2.295 10 0 GEAERN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1COc2ccccc21 ZINC000058969755 531839119 /nfs/dbraw/zinc/83/91/19/531839119.db2.gz NGRPRSJJCSBGGN-XHDPSFHLSA-N 0 0 380.853 2.257 10 0 GEAERN COC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000162751617 531848953 /nfs/dbraw/zinc/84/89/53/531848953.db2.gz SSPPGSJOJGWOOH-LLVKDONJSA-N 0 0 378.734 2.461 10 0 GEAERN O=C(CCNS(=O)(=O)c1ccccc1Cl)N[C@H]1COc2ccccc21 ZINC000060471778 531843966 /nfs/dbraw/zinc/84/39/66/531843966.db2.gz ATXMYVCZFKSRCW-AWEZNQCLSA-N 0 0 380.853 2.258 10 0 GEAERN O=C(CNS(=O)(=O)c1cccs1)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000168576427 531881509 /nfs/dbraw/zinc/88/15/09/531881509.db2.gz HSSUHJXMXUNUEY-LBPRGKRZSA-N 0 0 392.424 2.316 10 0 GEAERN COC(=O)[C@@H]1CCCN(C(=O)c2cc(I)ccc2O)C1 ZINC000170737952 531889583 /nfs/dbraw/zinc/88/95/83/531889583.db2.gz MWGOPVOSQVRCGB-SECBINFHSA-N 0 0 389.189 2.022 10 0 GEAERN O=C(NCCS(=O)(=O)NCC1CCC1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000069046494 531908645 /nfs/dbraw/zinc/90/86/45/531908645.db2.gz HXAMUAYVXZZPBD-QWHCGFSZSA-N 0 0 385.452 2.126 10 0 GEAERN O=C(c1cccc(I)c1)N1CCC[C@@H](n2cncn2)C1 ZINC000171664908 531909952 /nfs/dbraw/zinc/90/99/52/531909952.db2.gz RCPDSSHUGQBLHD-CYBMUJFWSA-N 0 0 382.205 2.360 10 0 GEAERN CCn1cc(Br)cc1C(=O)N1CCCN(c2cccnn2)CC1 ZINC000171810354 531918048 /nfs/dbraw/zinc/91/80/48/531918048.db2.gz NERSOTSAARWHEY-UHFFFAOYSA-N 0 0 378.274 2.413 10 0 GEAERN CCn1cc(Br)cc1C(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000171856677 531921044 /nfs/dbraw/zinc/92/10/44/531921044.db2.gz AUOLHFPBEOMBJS-NSHDSACASA-N 0 0 396.289 2.481 10 0 GEAERN C[C@@H](NC(=O)CCCN1C(=O)CN(C)C1=O)c1ccccc1Br ZINC000079119260 531921311 /nfs/dbraw/zinc/92/13/11/531921311.db2.gz HSHGDAQSOUQSBW-LLVKDONJSA-N 0 0 382.258 2.301 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc3c(c(Br)c1)OCO3)CC2 ZINC000172258894 531943028 /nfs/dbraw/zinc/94/30/28/531943028.db2.gz NCMUVCNXRZQSFK-JTQLQIEISA-N 0 0 393.241 2.077 10 0 GEAERN O=C(COc1ccc(Br)cc1Cl)N[C@@H]1CCc2ncnn2C1 ZINC000112648217 531949847 /nfs/dbraw/zinc/94/98/47/531949847.db2.gz MPBLEKGAYWIQIW-SNVBAGLBSA-N 0 0 385.649 2.204 10 0 GEAERN COc1ccc(CCC(=O)N[C@H]2CCc3ncnn3C2)cc1Br ZINC000112655974 531950295 /nfs/dbraw/zinc/95/02/95/531950295.db2.gz ZJALRZJTXMMYCZ-LBPRGKRZSA-N 0 0 379.258 2.113 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1cccc(Cl)c1Cl)CC2 ZINC000114874424 531957174 /nfs/dbraw/zinc/95/71/74/531957174.db2.gz OIFMQRPDUKKYBU-VIFPVBQESA-N 0 0 375.281 2.441 10 0 GEAERN O=C(c1cc2cc(Br)ccc2[nH]1)N1CC[C@H](N2CCOCC2)C1 ZINC000172760735 531967057 /nfs/dbraw/zinc/96/70/57/531967057.db2.gz SDLWNKAOJBWFAA-AWEZNQCLSA-N 0 0 378.270 2.477 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@H](C)Oc1ccccc1Cl ZINC000172867033 531970896 /nfs/dbraw/zinc/97/08/96/531970896.db2.gz BJXDSQUWBZRRSM-HIFRSBDPSA-N 0 0 388.917 2.428 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)Oc1ccccc1Cl ZINC000172867027 531971082 /nfs/dbraw/zinc/97/10/82/531971082.db2.gz BJXDSQUWBZRRSM-UKRRQHHQSA-N 0 0 388.917 2.428 10 0 GEAERN C[C@H](NC(=O)C(=O)Nc1cccnc1-n1cncn1)c1ccc(Cl)s1 ZINC000120150482 531975322 /nfs/dbraw/zinc/97/53/22/531975322.db2.gz OWUKTJTVELEBBJ-VIFPVBQESA-N 0 0 376.829 2.193 10 0 GEAERN C[C@H](COCc1ccccc1)NC(=O)CCNS(=O)(=O)c1cccs1 ZINC000172966055 531976065 /nfs/dbraw/zinc/97/60/65/531976065.db2.gz PCLOIVNZMKENIZ-CQSZACIVSA-N 0 0 382.507 2.138 10 0 GEAERN COC(=O)C[C@H](NC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1 ZINC000172991751 531977999 /nfs/dbraw/zinc/97/79/99/531977999.db2.gz HHEAWUHYIWUSAP-ZDUSSCGKSA-N 0 0 379.210 2.172 10 0 GEAERN Cc1ccc(I)cc1C(=O)N[C@H]1CCCn2ncnc21 ZINC000120240512 531978062 /nfs/dbraw/zinc/97/80/62/531978062.db2.gz UFWYQINSNRDLCN-LBPRGKRZSA-N 0 0 382.205 2.456 10 0 GEAERN COc1ccsc1S(=O)(=O)N1CCCN(Cc2csc(C)n2)CC1 ZINC000120798323 531996267 /nfs/dbraw/zinc/99/62/67/531996267.db2.gz ZMHPXIUVEHFWSI-UHFFFAOYSA-N 0 0 387.552 2.418 10 0 GEAERN C[C@@H](COCc1ccccc1)NC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000173431772 532011227 /nfs/dbraw/zinc/01/12/27/532011227.db2.gz RJKOKOSRQVSLJH-LBPRGKRZSA-N 0 0 382.869 2.323 10 0 GEAERN Cc1oc(C(=O)N[C@@H](C)c2cccc(Br)c2)cc1S(N)(=O)=O ZINC000121337095 532023943 /nfs/dbraw/zinc/02/39/43/532023943.db2.gz MWNALKHCOKWQGB-QMMMGPOBSA-N 0 0 387.255 2.489 10 0 GEAERN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC[C@@H]1CN(C)CCO1 ZINC000121325334 532023160 /nfs/dbraw/zinc/02/31/60/532023160.db2.gz QKQCMKPVEIXMKJ-OAHLLOKOSA-N 0 0 393.285 2.004 10 0 GEAERN Cc1nccn1C[C@H]1CCCN1S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000173743986 532030415 /nfs/dbraw/zinc/03/04/15/532030415.db2.gz VSAWCGOQVAPGBG-CYBMUJFWSA-N 0 0 379.873 2.346 10 0 GEAERN O=C(NCc1ccc(Br)c(F)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173797142 532033075 /nfs/dbraw/zinc/03/30/75/532033075.db2.gz HGYWEBLBLWXJKV-CYBMUJFWSA-N 0 0 386.265 2.204 10 0 GEAERN C[C@H](NC(=O)N1CCc2nn(C)c(=O)cc2C1)c1cccc(Br)c1 ZINC000173792232 532034414 /nfs/dbraw/zinc/03/44/14/532034414.db2.gz MLXWIMJSZYVFIH-NSHDSACASA-N 0 0 391.269 2.372 10 0 GEAERN C[C@@H](N[C@H](C)c1ccccc1Br)C(=O)N(C)CC(=O)NC1CC1 ZINC000173807344 532034935 /nfs/dbraw/zinc/03/49/35/532034935.db2.gz LBKXYQNLRLFOEC-VXGBXAGGSA-N 0 0 382.302 2.225 10 0 GEAERN CCc1nnc([C@H]2CN(S(=O)(=O)c3cccc(Cl)c3Cl)CCO2)[nH]1 ZINC000173839196 532037123 /nfs/dbraw/zinc/03/71/23/532037123.db2.gz LMRLTUPGNKAXKG-SNVBAGLBSA-N 0 0 391.280 2.436 10 0 GEAERN CNc1cc(N2CCC[C@@H]2CNS(=O)(=O)c2ccccc2Cl)ncn1 ZINC000173900450 532039811 /nfs/dbraw/zinc/03/98/11/532039811.db2.gz JYBOOVFXSAMSEQ-GFCCVEGCSA-N 0 0 381.889 2.119 10 0 GEAERN CNc1cc(N2CCC[C@H]2CNS(=O)(=O)c2ccc(Cl)cc2)ncn1 ZINC000173899631 532040800 /nfs/dbraw/zinc/04/08/00/532040800.db2.gz BQALZCIJSHIBMH-ZDUSSCGKSA-N 0 0 381.889 2.119 10 0 GEAERN O=C(NCCNc1ncc(Cl)cc1Cl)N1CCC[C@@H](n2cncn2)C1 ZINC000173923818 532042338 /nfs/dbraw/zinc/04/23/38/532042338.db2.gz QLDDPPPREMKAQL-GFCCVEGCSA-N 0 0 384.271 2.439 10 0 GEAERN C[C@@H]1CN(C(=O)c2cccnc2SC(F)(F)F)C[C@H]1N1CCOCC1 ZINC000173972750 532043216 /nfs/dbraw/zinc/04/32/16/532043216.db2.gz AMQXEVLDZHJING-DGCLKSJQSA-N 0 0 375.416 2.486 10 0 GEAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccccc1Br ZINC000121727508 532043440 /nfs/dbraw/zinc/04/34/40/532043440.db2.gz QSTDDQHTOLDKJU-LBPRGKRZSA-N 0 0 392.257 2.193 10 0 GEAERN COc1c(Br)c(C)sc1C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000173956692 532044138 /nfs/dbraw/zinc/04/41/38/532044138.db2.gz YXSZANYMDZPFRB-VHSXEESVSA-N 0 0 391.331 2.355 10 0 GEAERN CCC1CCC(NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CC1 ZINC000121977598 532055543 /nfs/dbraw/zinc/05/55/43/532055543.db2.gz MWLPZBVZUDSCKA-UHFFFAOYSA-N 0 0 385.555 2.451 10 0 GEAERN O=C(NCCOc1cccc(Br)c1)N1CCC[C@H](n2cncn2)C1 ZINC000174220645 532056337 /nfs/dbraw/zinc/05/63/37/532056337.db2.gz GOBQQESVASOWKS-AWEZNQCLSA-N 0 0 394.273 2.466 10 0 GEAERN COC(=O)C[C@@H](NC(=O)NCc1noc(C)n1)c1cccc(Br)c1 ZINC000174275069 532058022 /nfs/dbraw/zinc/05/80/22/532058022.db2.gz GERAHLKHUGUPAZ-GFCCVEGCSA-N 0 0 397.229 2.244 10 0 GEAERN COC(=O)[C@H](c1cccc(Br)c1)N(C)Cc1nnnn1C(C)C ZINC000122239908 532062583 /nfs/dbraw/zinc/06/25/83/532062583.db2.gz YERZROUGNGLMEU-AWEZNQCLSA-N 0 0 382.262 2.363 10 0 GEAERN COC(=O)[C@@H](c1cccc(Br)c1)N(C)Cc1nnnn1C(C)C ZINC000122240182 532062716 /nfs/dbraw/zinc/06/27/16/532062716.db2.gz YERZROUGNGLMEU-CQSZACIVSA-N 0 0 382.262 2.363 10 0 GEAERN C[C@@H](O)CN1CCN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)C[C@@H]1C ZINC000122342409 532067279 /nfs/dbraw/zinc/06/72/79/532067279.db2.gz JCDXVTODYXUHLO-NWDGAFQWSA-N 0 0 381.325 2.210 10 0 GEAERN CCc1ccc(Cl)c(CC)c1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000122357214 532067783 /nfs/dbraw/zinc/06/77/83/532067783.db2.gz LUKVPYDGNLXNHK-NSHDSACASA-N 0 0 386.901 2.049 10 0 GEAERN C[C@@H](COCc1ccccc1)NC(=O)CNC(=O)c1ccc(Br)o1 ZINC000174587402 532070993 /nfs/dbraw/zinc/07/09/93/532070993.db2.gz KKOHIVNTTZPIPW-LBPRGKRZSA-N 0 0 395.253 2.493 10 0 GEAERN C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000122609930 532077179 /nfs/dbraw/zinc/07/71/79/532077179.db2.gz COTQWNIFNOIJSB-YPMHNXCESA-N 0 0 393.336 2.283 10 0 GEAERN C[C@H](NC(=O)C(=O)Nc1cc(F)c(Br)cc1F)[C@H]1CCCO1 ZINC000122657108 532078890 /nfs/dbraw/zinc/07/88/90/532078890.db2.gz WXMGHVXYYSPHER-JVXZTZIISA-N 0 0 377.185 2.350 10 0 GEAERN CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000175011022 532086836 /nfs/dbraw/zinc/08/68/36/532086836.db2.gz ZSQSKWDIBWQARV-OAHLLOKOSA-N 0 0 382.302 2.122 10 0 GEAERN CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000175011044 532087030 /nfs/dbraw/zinc/08/70/30/532087030.db2.gz ZSQSKWDIBWQARV-HNNXBMFYSA-N 0 0 382.302 2.122 10 0 GEAERN C[C@H](NC(=O)c1ccc2ncc(I)n2c1)[C@@H]1CCCO1 ZINC000175522642 532106097 /nfs/dbraw/zinc/10/60/97/532106097.db2.gz HZLFIXKXWGMOPY-ONGXEEELSA-N 0 0 385.205 2.236 10 0 GEAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)CNC(=O)c1cccc(Br)c1 ZINC000175863102 532116991 /nfs/dbraw/zinc/11/69/91/532116991.db2.gz PWUOOHJLUCJCJV-LLVKDONJSA-N 0 0 399.285 2.368 10 0 GEAERN Cn1nccc1C1CCN(C(=O)c2cc(I)c[nH]2)CC1 ZINC000124568562 532124154 /nfs/dbraw/zinc/12/41/54/532124154.db2.gz CSEWCRXMFLQUND-UHFFFAOYSA-N 0 0 384.221 2.373 10 0 GEAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc(I)c[nH]1 ZINC000175737499 532112493 /nfs/dbraw/zinc/11/24/93/532112493.db2.gz LPUQHDNXGCGECJ-QMMMGPOBSA-N 0 0 378.210 2.422 10 0 GEAERN C[C@H]1CN(C(=O)NCc2sccc2Br)C[C@H]1N1CCOCC1 ZINC000175730806 532112581 /nfs/dbraw/zinc/11/25/81/532112581.db2.gz ZHZIZFMTQYBFIV-WCQYABFASA-N 0 0 388.331 2.373 10 0 GEAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc(I)c[nH]1 ZINC000175737514 532112923 /nfs/dbraw/zinc/11/29/23/532112923.db2.gz LPUQHDNXGCGECJ-MRVPVSSYSA-N 0 0 378.210 2.422 10 0 GEAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)Cc3cc(Cl)ccc3F)CCO2)c1 ZINC000124073944 532113918 /nfs/dbraw/zinc/11/39/18/532113918.db2.gz YEANTZKZZDLAKY-HNNXBMFYSA-N 0 0 387.864 2.215 10 0 GEAERN C[C@H](Cc1ccccc1Br)NC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000124067752 532114110 /nfs/dbraw/zinc/11/41/10/532114110.db2.gz BTNKQTHQHHPOBL-GDBMZVCRSA-N 0 0 396.329 2.496 10 0 GEAERN COC(=O)N[C@@H](C(=O)Nc1ccc(I)c(C)n1)C(C)C ZINC000176099511 532125629 /nfs/dbraw/zinc/12/56/29/532125629.db2.gz KKPMVLQKZFEXAB-LLVKDONJSA-N 0 0 391.209 2.314 10 0 GEAERN COc1nc(N2CCC[C@@H](Cn3nc(C)nc3C)C2)ncc1Br ZINC000176250855 532131682 /nfs/dbraw/zinc/13/16/82/532131682.db2.gz XJJGESMFJZOPNV-GFCCVEGCSA-N 0 0 381.278 2.373 10 0 GEAERN CNc1c(Cl)ncnc1NCCNS(=O)(=O)c1cc(C)sc1C ZINC000125104645 532132865 /nfs/dbraw/zinc/13/28/65/532132865.db2.gz ZOTGLFIBMHZJLN-UHFFFAOYSA-N 0 0 375.907 2.240 10 0 GEAERN CCn1ccnc1CS(=O)(=O)CC(=O)Nc1ccccc1Br ZINC000176905641 532154960 /nfs/dbraw/zinc/15/49/60/532154960.db2.gz QLIWRQDMBZQHSG-UHFFFAOYSA-N 0 0 386.271 2.219 10 0 GEAERN O=C(c1cccc(I)c1)N1CCC[C@H](Cn2cncn2)C1 ZINC000127548557 532154999 /nfs/dbraw/zinc/15/49/99/532154999.db2.gz MHEUCWCTYHADOJ-LBPRGKRZSA-N 0 0 396.232 2.435 10 0 GEAERN CC(C)n1nnnc1C[S@@](=O)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000176571709 532142070 /nfs/dbraw/zinc/14/20/70/532142070.db2.gz MJEDPXGORPUQDS-KARRYYGYSA-N 0 0 383.905 2.422 10 0 GEAERN CN1CCO[C@H](CNC(=O)NCC(C)(C)c2ccccc2Br)C1 ZINC000126112822 532145106 /nfs/dbraw/zinc/14/51/06/532145106.db2.gz QLJADSYENZECHT-CYBMUJFWSA-N 0 0 384.318 2.357 10 0 GEAERN Cc1csc([C@H]2CCCN(C(=O)c3ccc(CNS(C)(=O)=O)o3)C2)n1 ZINC000176674383 532145880 /nfs/dbraw/zinc/14/58/80/532145880.db2.gz PLDBEWJRDZCNSB-LBPRGKRZSA-N 0 0 383.495 2.114 10 0 GEAERN C[C@@H]1CN(Cc2nnc(-c3ccc(Br)o3)o2)C[C@@H]1N1CCOCC1 ZINC000177227531 532165468 /nfs/dbraw/zinc/16/54/68/532165468.db2.gz JPGHYHHMQGMVGQ-NEPJUHHUSA-N 0 0 397.273 2.245 10 0 GEAERN C[C@H]1CN(Cc2ccc(I)cc2)C[C@@H]1N1CCOCC1 ZINC000177257347 532166112 /nfs/dbraw/zinc/16/61/12/532166112.db2.gz DQLUTVMWCKNJRM-BBRMVZONSA-N 0 0 386.277 2.444 10 0 GEAERN O=C(CSC[C@@H](O)CO)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000177417885 532170241 /nfs/dbraw/zinc/17/02/41/532170241.db2.gz CRFLWKDDVHNWGI-QMMMGPOBSA-N 0 0 388.205 2.493 10 0 GEAERN COc1cc(Br)cc(C)c1NC(=O)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000176954880 532156801 /nfs/dbraw/zinc/15/68/01/532156801.db2.gz QKMGYIYWXVZVOE-GHMZBOCLSA-N 0 0 385.258 2.340 10 0 GEAERN C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@@H]1N1CCOCC1 ZINC000176993749 532158043 /nfs/dbraw/zinc/15/80/43/532158043.db2.gz BTBVREAZEMZPMN-NHYWBVRUSA-N 0 0 379.309 2.335 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(C)cc1Br ZINC000177006952 532158574 /nfs/dbraw/zinc/15/85/74/532158574.db2.gz SGGJCCRWGWKWHA-GFCCVEGCSA-N 0 0 385.287 2.471 10 0 GEAERN O=C(c1c[nH]c(=O)c(Br)c1)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000177220006 532164793 /nfs/dbraw/zinc/16/47/93/532164793.db2.gz ATBCCRSQESJPKY-DGCLKSJQSA-N 0 0 381.226 2.459 10 0 GEAERN CCn1cc(Br)cc1C(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000177701647 532179310 /nfs/dbraw/zinc/17/93/10/532179310.db2.gz WUTYCFPOPUJZMZ-NSHDSACASA-N 0 0 382.262 2.273 10 0 GEAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCc2cc(Br)cc(F)c21 ZINC000177875485 532185469 /nfs/dbraw/zinc/18/54/69/532185469.db2.gz UBWCFOQWBUCJOT-LLVKDONJSA-N 0 0 380.221 2.267 10 0 GEAERN CCc1csc([C@@H]2CCCN(C(=O)NCC3CCS(=O)(=O)CC3)C2)n1 ZINC000130174186 532190246 /nfs/dbraw/zinc/19/02/46/532190246.db2.gz PTWTWQMTFRUBGR-CQSZACIVSA-N 0 0 385.555 2.419 10 0 GEAERN CCc1csc([C@H]2CCCN(C(=O)NCC3CCS(=O)(=O)CC3)C2)n1 ZINC000130174374 532190320 /nfs/dbraw/zinc/19/03/20/532190320.db2.gz PTWTWQMTFRUBGR-AWEZNQCLSA-N 0 0 385.555 2.419 10 0 GEAERN CNC(=O)[C@H](NC(=O)c1cc(I)c(F)cc1F)C(C)C ZINC000178716203 532210849 /nfs/dbraw/zinc/21/08/49/532210849.db2.gz NWQXBPKDZJWELK-LLVKDONJSA-N 0 0 396.175 2.070 10 0 GEAERN Cc1[nH]c(=O)c(C(=O)N[C@H](C)c2nnc3n2CCCC3)cc1Br ZINC000132177779 532211017 /nfs/dbraw/zinc/21/10/17/532211017.db2.gz PBFBKKYMVGZOEY-SECBINFHSA-N 0 0 380.246 2.277 10 0 GEAERN C[C@@H](NC(=O)NCc1nc(C2CC2)cs1)c1ccc(S(N)(=O)=O)cc1 ZINC000178453667 532202089 /nfs/dbraw/zinc/20/20/89/532202089.db2.gz HWMKQNOACRXXRU-SNVBAGLBSA-N 0 0 380.495 2.228 10 0 GEAERN Brc1cc(CN2CCO[C@H](Cn3cccn3)C2)cc2c1OCCO2 ZINC000179533045 532235236 /nfs/dbraw/zinc/23/52/36/532235236.db2.gz BUIKVPOOEFTREO-AWEZNQCLSA-N 0 0 394.269 2.318 10 0 GEAERN CSc1cc(C(=O)NC[C@H](O)CN2CCOCC2)c(Cl)cc1Cl ZINC000132666431 532220064 /nfs/dbraw/zinc/22/00/64/532220064.db2.gz LHHRATKJXZEWCH-JTQLQIEISA-N 0 0 379.309 2.138 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)OCc1nc(C(F)(F)F)cs1 ZINC000179143256 532223388 /nfs/dbraw/zinc/22/33/88/532223388.db2.gz XLQNEFTUFMNADF-VIFPVBQESA-N 0 0 386.417 2.409 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000179818524 532244755 /nfs/dbraw/zinc/24/47/55/532244755.db2.gz AYIWPYPDOYIIGN-JKSUJKDBSA-N 0 0 375.296 2.332 10 0 GEAERN Cc1ccc(-n2nc(Br)cc2C(=O)N[C@H](C(N)=O)C(C)C)cc1 ZINC000134184516 532251910 /nfs/dbraw/zinc/25/19/10/532251910.db2.gz IAOMNJQBLXDHNM-AWEZNQCLSA-N 0 0 379.258 2.183 10 0 GEAERN CCc1ccc(S(C)(=O)=O)cc1C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000133519399 532238118 /nfs/dbraw/zinc/23/81/18/532238118.db2.gz LNEKUKGAUSZMIE-OAHLLOKOSA-N 0 0 380.491 2.323 10 0 GEAERN Cn1c(CS(=O)(=O)CCC(=O)Nc2cccc(Cl)c2)nnc1C1CC1 ZINC000180072932 532256103 /nfs/dbraw/zinc/25/61/03/532256103.db2.gz OVDBASIOOFHMFA-UHFFFAOYSA-N 0 0 382.873 2.290 10 0 GEAERN Cc1nc(S(=O)(=O)[N-][C@H]2CN(C(C)C)C[C@@H]2C)sc1Br ZINC000180094779 532256791 /nfs/dbraw/zinc/25/67/91/532256791.db2.gz JJFSYYDFPQOWMY-WPRPVWTQSA-N 0 0 382.349 2.221 10 0 GEAERN CCN1CCO[C@H](CNS(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000134703057 532261761 /nfs/dbraw/zinc/26/17/61/532261761.db2.gz TXCUFICPZPKUMM-LLVKDONJSA-N 0 0 397.722 2.102 10 0 GEAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H]1N1CCOCC1 ZINC000180250907 532263036 /nfs/dbraw/zinc/26/30/36/532263036.db2.gz ZKIJBJYSQDESGT-ABAIWWIYSA-N 0 0 386.279 2.111 10 0 GEAERN O=C(NC[C@H]1CCCC[C@H]1O)c1ccc(Br)cc1-n1cncn1 ZINC000135577592 532276885 /nfs/dbraw/zinc/27/68/85/532276885.db2.gz BQHKQYLHZJRAEL-IAQYHMDHSA-N 0 0 379.258 2.311 10 0 GEAERN COCc1cc(NC(=O)C(=O)N[C@@H](C)c2cccc(Br)c2)ncn1 ZINC000181441393 532298639 /nfs/dbraw/zinc/29/86/39/532298639.db2.gz SAKGKAGJTKTJJU-JTQLQIEISA-N 0 0 393.241 2.201 10 0 GEAERN CN1CCO[C@H](CNC(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)C1 ZINC000150798570 532301916 /nfs/dbraw/zinc/30/19/16/532301916.db2.gz VLJTVYWBSMHYIG-CQSZACIVSA-N 0 0 384.933 2.345 10 0 GEAERN O=C(NCCOc1ncc(Cl)cc1Cl)N1CCC[C@H](n2cncn2)C1 ZINC000150898737 532303163 /nfs/dbraw/zinc/30/31/63/532303163.db2.gz SAIRCLQZEBMNLF-LBPRGKRZSA-N 0 0 385.255 2.405 10 0 GEAERN O=C(NCCOCc1ccc(Cl)cc1Cl)N[C@H]1CCc2ncnn2C1 ZINC000181676091 532304502 /nfs/dbraw/zinc/30/45/02/532304502.db2.gz DHHILMHMEPXFHQ-ZDUSSCGKSA-N 0 0 384.267 2.416 10 0 GEAERN Cc1nnc([C@@H]2CN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CCO2)[nH]1 ZINC000181672328 532304799 /nfs/dbraw/zinc/30/47/99/532304799.db2.gz XRJXWRLZQDMCND-ZDUSSCGKSA-N 0 0 391.280 2.323 10 0 GEAERN CC(C)c1nnc(CS(=O)(=O)C[C@@H](O)c2ccc(F)cc2Cl)n1C ZINC000185205059 532337238 /nfs/dbraw/zinc/33/72/38/532337238.db2.gz IEZYDIBWVSJDHO-CYBMUJFWSA-N 0 0 375.853 2.379 10 0 GEAERN COCC(=O)NC1CN(C(=O)CSCc2ccc(Cl)cc2Cl)C1 ZINC000185230574 532337426 /nfs/dbraw/zinc/33/74/26/532337426.db2.gz HBXYESSQTBGUJH-UHFFFAOYSA-N 0 0 377.293 2.200 10 0 GEAERN CC(C)C(=O)CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000185930505 532339149 /nfs/dbraw/zinc/33/91/49/532339149.db2.gz FHGDIODTTUTLKL-OAHLLOKOSA-N 0 0 386.901 2.089 10 0 GEAERN C[C@@H]1CN([C@@H](CNS(=O)(=O)c2ccc(N)cc2)c2cccs2)CCO1 ZINC000186136027 532339912 /nfs/dbraw/zinc/33/99/12/532339912.db2.gz YQRGMWDVCPOBSW-CJNGLKHVSA-N 0 0 381.523 2.071 10 0 GEAERN COC(=O)C[C@H](NC(=O)Cc1cncn1C)c1cccc(Br)c1 ZINC000187006410 532342956 /nfs/dbraw/zinc/34/29/56/532342956.db2.gz IEQCOIOQYTXOAS-AWEZNQCLSA-N 0 0 380.242 2.146 10 0 GEAERN CNC(=O)[C@H](NCC(=O)Nc1c(F)cc(F)cc1Br)C(C)C ZINC000183666631 532327328 /nfs/dbraw/zinc/32/73/28/532327328.db2.gz HMYRICINXUEUAQ-GFCCVEGCSA-N 0 0 378.217 2.026 10 0 GEAERN Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000187222090 532343490 /nfs/dbraw/zinc/34/34/90/532343490.db2.gz DVMKXTKRKYHWJX-LLVKDONJSA-N 0 0 396.220 2.078 10 0 GEAERN CS(=O)(=O)N1CCc2c1cccc2NS(=O)(=O)/C=C/c1ccccc1 ZINC000184675374 532334331 /nfs/dbraw/zinc/33/43/31/532334331.db2.gz CIMIWGMCUQVFQE-ACCUITESSA-N 0 0 378.475 2.421 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H](C)Cc2cccc(Br)c2)CC1 ZINC000184962387 532336153 /nfs/dbraw/zinc/33/61/53/532336153.db2.gz SZZLOCCJRWPGNI-YOEHRIQHSA-N 0 0 398.345 2.478 10 0 GEAERN COc1nc(C)c(Br)cc1C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000188136229 532346851 /nfs/dbraw/zinc/34/68/51/532346851.db2.gz KBBUJKUVWVRNAJ-LLVKDONJSA-N 0 0 380.246 2.230 10 0 GEAERN CNS(=O)(=O)CCNC(=O)[C@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000188905339 532350158 /nfs/dbraw/zinc/35/01/58/532350158.db2.gz URMRLTNQWCKUCL-GXTWGEPZSA-N 0 0 395.308 2.127 10 0 GEAERN C[C@H]1C(=O)NCCCN1C(=O)c1ccc(Cl)c(I)c1 ZINC000188956650 532350392 /nfs/dbraw/zinc/35/03/92/532350392.db2.gz AISBIDXYDLZJKC-QMMMGPOBSA-N 0 0 392.624 2.295 10 0 GEAERN C[C@@H]1C(=O)NCCCN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000189277778 532351720 /nfs/dbraw/zinc/35/17/20/532351720.db2.gz OPECQYQFKJNHSQ-LLVKDONJSA-N 0 0 379.258 2.133 10 0 GEAERN Cc1sc2ncnc(SCC(=O)N3CC(NC(=O)C4CC4)C3)c2c1C ZINC000189359193 532351956 /nfs/dbraw/zinc/35/19/56/532351956.db2.gz UAZGMXJRFJYQON-UHFFFAOYSA-N 0 0 376.507 2.137 10 0 GEAERN COC(=O)c1scc(C)c1S(=O)(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000189962815 532354233 /nfs/dbraw/zinc/35/42/33/532354233.db2.gz JTYLMHXUYNIHAR-AWEZNQCLSA-N 0 0 382.507 2.424 10 0 GEAERN COc1ccc([C@@H](C)NC(=O)N2CC(NC(=O)C3CC3)C2)cc1Br ZINC000190069918 532354647 /nfs/dbraw/zinc/35/46/47/532354647.db2.gz CPXRCZLCWTYKAJ-SNVBAGLBSA-N 0 0 396.285 2.439 10 0 GEAERN Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@@H]1CCCn2ncnc21 ZINC000190062229 532354653 /nfs/dbraw/zinc/35/46/53/532354653.db2.gz ZYUFKXCCEDZKIZ-LLVKDONJSA-N 0 0 389.250 2.302 10 0 GEAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000190675462 532357412 /nfs/dbraw/zinc/35/74/12/532357412.db2.gz WEPIJFCGHXBXFB-MRVPVSSYSA-N 0 0 377.750 2.034 10 0 GEAERN C[C@H](CNC(=O)N1CCc2cc(Br)ccc2C1)N1CCOCC1 ZINC000190978589 532359026 /nfs/dbraw/zinc/35/90/26/532359026.db2.gz PXGSKHBTCQFNOL-CYBMUJFWSA-N 0 0 382.302 2.238 10 0 GEAERN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CCCNC(=O)[C@@H]1C ZINC000191494026 532361128 /nfs/dbraw/zinc/36/11/28/532361128.db2.gz XRRGWWVQMIDIPM-MNOVXSKESA-N 0 0 386.265 2.439 10 0 GEAERN Cn1nc(Br)cc1C(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000192128017 532386726 /nfs/dbraw/zinc/38/67/26/532386726.db2.gz FOELVSIGIVVQRU-UHFFFAOYSA-N 0 0 390.241 2.286 10 0 GEAERN COc1nc(N2CCCN(c3ccc(C)nn3)CC2)ncc1Br ZINC000192141691 532388835 /nfs/dbraw/zinc/38/88/35/532388835.db2.gz MABMASSMAQDRJG-UHFFFAOYSA-N 0 0 379.262 2.063 10 0 GEAERN Cn1nc(Br)cc1C(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000192199962 532393216 /nfs/dbraw/zinc/39/32/16/532393216.db2.gz AKVGBKHJMJBGTR-BXKDBHETSA-N 0 0 386.196 2.409 10 0 GEAERN C[C@@H]1NC(=O)CC[C@@H]1NS(=O)(=O)c1c(Cl)cccc1Br ZINC000282288663 532453636 /nfs/dbraw/zinc/45/36/36/532453636.db2.gz KLMNCARNMOTCCP-XVKPBYJWSA-N 0 0 381.679 2.048 10 0 GEAERN CCc1ccc([C@H](C)NS(=O)(=O)c2ccccc2S(=O)(=O)NC)cc1 ZINC000195050126 532464257 /nfs/dbraw/zinc/46/42/57/532464257.db2.gz ZPYNYYRXJAUNDZ-ZDUSSCGKSA-N 0 0 382.507 2.197 10 0 GEAERN C[C@H](NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F)[C@@H]1CCCO1 ZINC000195235253 532472892 /nfs/dbraw/zinc/47/28/92/532472892.db2.gz KGIVEXAAQZIPLU-KWQFWETISA-N 0 0 394.262 2.289 10 0 GEAERN CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000246539259 532541435 /nfs/dbraw/zinc/54/14/35/532541435.db2.gz VIMLMXQZHBAUAC-IUODEOHRSA-N 0 0 394.313 2.183 10 0 GEAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CCN1C[C@H](C)O ZINC000246876839 532545090 /nfs/dbraw/zinc/54/50/90/532545090.db2.gz DHRYTFXJQMYMGH-XHDPSFHLSA-N 0 0 388.295 2.236 10 0 GEAERN O[C@H](COc1cccc(Br)c1)CN1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000246224371 532533837 /nfs/dbraw/zinc/53/38/37/532533837.db2.gz LVSBIJHEIPKXMR-BHYGNILZSA-N 0 0 386.286 2.069 10 0 GEAERN CCS(=O)(=O)c1c(Cl)cccc1CN1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000249434167 532566241 /nfs/dbraw/zinc/56/62/41/532566241.db2.gz KLYYKARUECRNSX-YOEHRIQHSA-N 0 0 386.945 2.286 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(OC)ccc2Br)C1 ZINC000262707646 532598581 /nfs/dbraw/zinc/59/85/81/532598581.db2.gz KGRLTUDYIDIBGN-UHFFFAOYSA-N 0 0 385.258 2.125 10 0 GEAERN O=C([C@H]1CC(F)(F)CN1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000263010717 532611034 /nfs/dbraw/zinc/61/10/34/532611034.db2.gz PRWMUPSZPVCMKU-OLZOCXBDSA-N 0 0 375.213 2.346 10 0 GEAERN O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@@H]1CC(F)(F)CN1 ZINC000263013371 532611546 /nfs/dbraw/zinc/61/15/46/532611546.db2.gz PYTMAXHCWMBXSC-QMMMGPOBSA-N 0 0 383.708 2.015 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NCc2cc(Br)ccc2C)C1 ZINC000263390207 532625073 /nfs/dbraw/zinc/62/50/73/532625073.db2.gz QJWXOKHYGUPLAH-UHFFFAOYSA-N 0 0 398.301 2.494 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NCc2cc3c(cc2Br)OCO3)C1 ZINC000263457153 532627016 /nfs/dbraw/zinc/62/70/16/532627016.db2.gz AZZSSMFIHQQNLU-UHFFFAOYSA-N 0 0 385.258 2.205 10 0 GEAERN CCc1noc([C@@]2(O)CCN(S(=O)(=O)c3cc(Cl)sc3Cl)C2)n1 ZINC000328609030 532793856 /nfs/dbraw/zinc/79/38/56/532793856.db2.gz BYTPIJHBMWJESR-GFCCVEGCSA-N 0 0 398.293 2.283 10 0 GEAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3Cl)CCO2)o1 ZINC000328609419 532794181 /nfs/dbraw/zinc/79/41/81/532794181.db2.gz DGWFZAXDWYVVGQ-LLVKDONJSA-N 0 0 378.237 2.447 10 0 GEAERN O=C1N[C@H](CC[C@H]2NC(=O)N(c3ccccc3)C2=O)C(=O)N1c1ccccc1 ZINC000003619276 203824021 /nfs/dbraw/zinc/82/40/21/203824021.db2.gz ARQRJSDVJPRWPO-HZPDHXFCSA-N 0 0 378.388 2.017 10 0 GEAERN C[C@@]1(c2ccccc2)CC(=O)N(c2ccc(S(N)(=O)=O)c(Cl)c2)C1=O ZINC000003627315 204016885 /nfs/dbraw/zinc/01/68/85/204016885.db2.gz AVGKMNFNZFKPAO-KRWDZBQOSA-N 0 0 378.837 2.209 10 0 GEAERN COc1cc([C@H]2Oc3ccc4ccc(=O)oc4c3O[C@@H]2CO)cc(OC)c1O ZINC000004098420 204026298 /nfs/dbraw/zinc/02/62/98/204026298.db2.gz QLFQDIADUIVNRF-CRAIPNDOSA-N 0 0 386.356 2.389 10 0 biogenic,in-vitro GEAERN Cc1cccc(N2CCN(C(=O)CNS(=O)(=O)c3cccs3)C[C@H]2C)c1 ZINC000004734410 204070843 /nfs/dbraw/zinc/07/08/43/204070843.db2.gz YBFUEVPEQFTUHX-OAHLLOKOSA-N 0 0 393.534 2.072 10 0 GEAERN Cc1nnc2sc(SCC(=O)Nc3ccc(F)c(Cl)c3)nn2c1=O ZINC000005143981 204115795 /nfs/dbraw/zinc/11/57/95/204115795.db2.gz JNTHCYTXFPUZBZ-UHFFFAOYSA-N 0 0 385.833 2.378 10 0 GEAERN CCOC(=O)/C=C\C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000005927705 204157729 /nfs/dbraw/zinc/15/77/29/204157729.db2.gz NMSLUOCQLYNUMW-QXMHVHEDSA-N 0 0 380.466 2.309 10 0 GEAERN COc1cccc2c1cc1c(=O)n(CC(=O)NCc3ccccc3)nc(C)n12 ZINC000006749731 204199430 /nfs/dbraw/zinc/19/94/30/204199430.db2.gz NBTSABMBKJEYEX-UHFFFAOYSA-N 0 0 376.416 2.283 10 0 GEAERN Cc1cc(=O)n2nc(N[C@@H](C)C(=O)NCc3ccccc3Cl)sc2n1 ZINC000006750762 204200035 /nfs/dbraw/zinc/20/00/35/204200035.db2.gz AFBNRXSVWGMIRN-JTQLQIEISA-N 0 0 377.857 2.230 10 0 GEAERN CCc1ccccc1-n1c(=O)c2ccccc2n(CC(=O)NCC(C)C)c1=O ZINC000006766677 204201741 /nfs/dbraw/zinc/20/17/41/204201741.db2.gz TVIQMRBRNSOMFN-UHFFFAOYSA-N 0 0 379.460 2.487 10 0 GEAERN CCCNC(=O)[C@@H](C)n1c2ccccc2c(=O)n(-c2ccc(OC)cc2)c1=O ZINC000006775870 204203198 /nfs/dbraw/zinc/20/31/98/204203198.db2.gz BVYCNGKUZVYXSW-CQSZACIVSA-N 0 0 381.432 2.248 10 0 GEAERN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(Cn2nnc3ccccc3c2=O)C1=O ZINC000009579022 204317261 /nfs/dbraw/zinc/31/72/61/204317261.db2.gz YIVGUCFGRPCDNR-JOCHJYFZSA-N 0 0 399.410 2.369 10 0 GEAERN Cc1ccc(C(=O)N2CCN3C(=O)[C@H](CC4CCCCC4)NC(=O)[C@H]3C2)cc1 ZINC000014542045 204535562 /nfs/dbraw/zinc/53/55/62/204535562.db2.gz NCHNMQRYQRGMMU-RBUKOAKNSA-N 0 0 383.492 2.117 10 0 GEAERN Cc1ccc2c(c1)N(C(=O)Cn1cnc3nc4c(cc3c1=O)CCCC4)CCO2 ZINC000033059679 204942628 /nfs/dbraw/zinc/94/26/28/204942628.db2.gz KTLHEDSUAYCVDD-UHFFFAOYSA-N 0 0 390.443 2.404 10 0 GEAERN CCN(Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@@H](O)COC(C)(C)C ZINC000036159002 205006912 /nfs/dbraw/zinc/00/69/12/205006912.db2.gz NZJXKEJGFXGSCQ-GFCCVEGCSA-N 0 0 379.526 2.471 10 0 GEAERN CCC[C@H](O)CN(CCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000036156571 205008183 /nfs/dbraw/zinc/00/81/83/205008183.db2.gz ORYTUFZKYJLORC-ZDUSSCGKSA-N 0 0 379.526 2.473 10 0 GEAERN NS(=O)(=O)c1cc(S(=O)(=O)Oc2ccccc2)c(Cl)cc1Cl ZINC000038638247 205037561 /nfs/dbraw/zinc/03/75/61/205037561.db2.gz XIJVOPHKEWHUNN-UHFFFAOYSA-N 0 0 382.246 2.409 10 0 GEAERN O=C(c1nc(C(=O)N2CCN(Cc3ccccc3)CC2)cs1)N1CCCC1 ZINC000049408688 205126754 /nfs/dbraw/zinc/12/67/54/205126754.db2.gz SKOWXUIBZQFZCZ-UHFFFAOYSA-N 0 0 384.505 2.337 10 0 GEAERN CC[C@@H](C)NS(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCC3)o2)sc1C ZINC000065116501 205212100 /nfs/dbraw/zinc/21/21/00/205212100.db2.gz YAFVFBCQKPWACH-SNVBAGLBSA-N 0 0 398.510 2.419 10 0 GEAERN CCOC(=O)CNC(=O)[C@H]1CN(C(=O)c2cccs2)CC12CCCCC2 ZINC000065266284 205224604 /nfs/dbraw/zinc/22/46/04/205224604.db2.gz RAYIXDHBQMDQFO-CQSZACIVSA-N 0 0 378.494 2.450 10 0 GEAERN O=C([C@H]1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2)N1CCCC1 ZINC000065259822 205224791 /nfs/dbraw/zinc/22/47/91/205224791.db2.gz SQTGQJNWVWEVHD-QGZVFWFLSA-N 0 0 377.510 2.275 10 0 GEAERN Cc1nn(C)c(N2CCOCC2)c1[C@H]1CC(=O)Nc2c1cnn2CCC(C)C ZINC000065398622 205233521 /nfs/dbraw/zinc/23/35/21/205233521.db2.gz NYMNZJPONFJWGW-HNNXBMFYSA-N 0 0 386.500 2.282 10 0 GEAERN CCOc1cc(=O)c(C(=O)NCc2ccncc2)nn1-c1ccc(F)c(F)c1 ZINC000065198029 205218719 /nfs/dbraw/zinc/21/87/19/205218719.db2.gz GVJUURDEUZUBHX-UHFFFAOYSA-N 0 0 386.358 2.234 10 0 GEAERN O=C(C[C@H]1COCCN1Cc1cnc(NCc2ccccc2)nc1)N1CC=CC1 ZINC000072458914 205352871 /nfs/dbraw/zinc/35/28/71/205352871.db2.gz XPQIWFBPWNHXIF-FQEVSTJZSA-N 0 0 393.491 2.078 10 0 GEAERN CCOCCC[N@H+](C)C1CCN(c2ncc(NC(C)=O)cc2C(=O)[O-])CC1 ZINC000075544766 205357956 /nfs/dbraw/zinc/35/79/56/205357956.db2.gz CIGURQDGGUVUEL-UHFFFAOYSA-N 0 0 378.473 2.065 10 0 GEAERN CO[C@@H]1CCCN(C(=O)c2ccc3c(c2)CN(CCCn2ccnc2)C3=O)C1 ZINC000072422840 205349246 /nfs/dbraw/zinc/34/92/46/205349246.db2.gz SIPNCYDGGQIFDT-GOSISDBHSA-N 0 0 382.464 2.180 10 0 GEAERN CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1=NS(=O)(=O)c2ccccc21 ZINC000095075328 205436719 /nfs/dbraw/zinc/43/67/19/205436719.db2.gz JUVNRIPHYIMGLQ-ZDUSSCGKSA-N 0 0 379.482 2.467 10 0 GEAERN O=C(c1noc2c1CCCC2)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccn1)C2 ZINC000095386603 205452470 /nfs/dbraw/zinc/45/24/70/205452470.db2.gz OUHXSHYPQUTXOP-LSDHHAIUSA-N 0 0 380.448 2.325 10 0 GEAERN O=S(=O)([O-])[C@@H]1C/[N+](=c2/scc(-c3c(F)cccc3F)s2)CCS1 ZINC000095932634 205504703 /nfs/dbraw/zinc/50/47/03/205504703.db2.gz SBLFMTYRKIYNLC-KDUNNAQNSA-O 0 0 396.507 2.488 10 0 GEAERN CNS(=O)(=O)c1ccc([C@@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000095929866 205505087 /nfs/dbraw/zinc/50/50/87/205505087.db2.gz NMUAJEWPMXJXTR-MRXNPFEDSA-N 0 0 384.498 2.275 10 0 GEAERN NC(=O)NCCc1cc2sc(C(N)=O)c(N)c2c(OCC2CCCC2)c1 ZINC000145115240 205701783 /nfs/dbraw/zinc/70/17/83/205701783.db2.gz MZYFMKVBVLJCSO-UHFFFAOYSA-N 0 0 376.482 2.362 10 0 GEAERN COc1nc(N(C)C)nc(-n2cnc(SCCOc3ccc(C)cc3)n2)n1 ZINC000027738907 206018443 /nfs/dbraw/zinc/01/84/43/206018443.db2.gz BYYZWDXNYBTZDM-UHFFFAOYSA-N 0 0 387.469 2.006 10 0 GEAERN COc1ccc(S(=O)(=O)NCc2ccnc(N3CCCC3)n2)c(C)c1C ZINC000224204048 206016666 /nfs/dbraw/zinc/01/66/66/206016666.db2.gz WKUTZKMXTGFIQC-UHFFFAOYSA-N 0 0 376.482 2.181 10 0 GEAERN O=C(NCCN1CCOCC1)c1ccn(COc2cccc(C(F)(F)F)c2)n1 ZINC000027973178 206024570 /nfs/dbraw/zinc/02/45/70/206024570.db2.gz YEEFXKNIGZTNAH-UHFFFAOYSA-N 0 0 398.385 2.000 10 0 GEAERN O=C(OC[C@@H](O)[C@@H](OC(=O)c1ccccc1)C(F)(F)CO)c1ccccc1 ZINC000238730453 206124068 /nfs/dbraw/zinc/12/40/68/206124068.db2.gz AXQBNWUGRSFFCD-HZPDHXFCSA-N 0 0 380.343 2.058 10 0 GEAERN CCCCC[C@H](O)/C=C\[C@@H]1[C@H](O)CC(=O)[C@H]1CCCCCCC(=O)NCCO ZINC000256089766 206150433 /nfs/dbraw/zinc/15/04/33/206150433.db2.gz HLQFDRCTTQBTCE-SRNMJWIVSA-N 0 0 397.556 2.499 10 0 GEAERN O=C([O-])c1cn(C2CC2)c2c(O)c(N3C[C@@H]4[NH2+]CCC[C@H]4C3)c(F)cc2c1=O ZINC000255979447 206151446 /nfs/dbraw/zinc/15/14/46/206151446.db2.gz IRASTQSQRDRSEH-BONVTDFDSA-N 0 0 387.411 2.068 10 0 GEAERN O=C(NC[C@@H]1CCCN(c2ncccn2)C1)[C@H]1CC(Cc2ccccc2)=NO1 ZINC000299757138 206184054 /nfs/dbraw/zinc/18/40/54/206184054.db2.gz NCFJBCZVYVKISE-PKOBYXMFSA-N 0 0 379.464 2.197 10 0 GEAERN CCOCc1nn2c(nc(COC(=O)COc3cccc(C)c3)cc2=O)s1 ZINC000041078226 206195141 /nfs/dbraw/zinc/19/51/41/206195141.db2.gz ZFXSXSOYOZOFBU-UHFFFAOYSA-N 0 0 389.433 2.118 10 0 GEAERN CCN(CC)C(=O)Cc1nn(CC(=O)Nc2ccccc2)c(=O)c2ccccc12 ZINC000041107431 206194804 /nfs/dbraw/zinc/19/48/04/206194804.db2.gz HFMGTLORKNHYDB-UHFFFAOYSA-N 0 0 392.459 2.446 10 0 GEAERN COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(Cc2ccc(F)cc2)=NO1 ZINC000012098274 221150301 /nfs/dbraw/zinc/15/03/01/221150301.db2.gz XCGXNRPRIVGCAS-OALUTQOASA-N 0 0 384.407 2.414 10 0 GEAERN O=C(c1cnn2c1ncc1c2CCCC1=O)N1CCN(c2ccccc2F)CC1 ZINC000064987363 136158443 /nfs/dbraw/zinc/15/84/43/136158443.db2.gz GZIVQQRYFDSWDH-UHFFFAOYSA-N 0 0 393.422 2.350 10 0 GEAERN CCc1cc(N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)nc(C)n1 ZINC000091269622 136176315 /nfs/dbraw/zinc/17/63/15/136176315.db2.gz BPFQTZMOMWFDAS-UHFFFAOYSA-N 0 0 380.496 2.361 10 0 GEAERN O=C(Nc1cc(F)cc2c1NC(=O)CC2)N[C@H]1CCCN(c2ncccn2)C1 ZINC000096137681 136184204 /nfs/dbraw/zinc/18/42/04/136184204.db2.gz YDICDTLSUBCLSK-AWEZNQCLSA-N 0 0 384.415 2.291 10 0 GEAERN COc1ccc(C)cc1S(=O)(=O)NCc1nccc(N2CCCCC2)n1 ZINC000224166240 136206421 /nfs/dbraw/zinc/20/64/21/136206421.db2.gz KWEOVWWECCAZDS-UHFFFAOYSA-N 0 0 376.482 2.262 10 0 GEAERN COc1ccc(S(=O)(=O)NCc2ccnc(N3CCCCC3)n2)cc1C ZINC000224213379 136206482 /nfs/dbraw/zinc/20/64/82/136206482.db2.gz KZKMHWHPDWTXLP-UHFFFAOYSA-N 0 0 376.482 2.262 10 0 GEAERN Cc1cc(C)c(S(=O)(=O)NCc2nc(C)cc(N3CCOCC3)n2)c(C)c1 ZINC000224182796 136206496 /nfs/dbraw/zinc/20/64/96/136206496.db2.gz CBGFKYIGGBAAKM-UHFFFAOYSA-N 0 0 390.509 2.025 10 0 GEAERN C[C@@]1(C(=O)NCc2ccc(F)cc2)CCCN(C(=O)NC[C@@H]2CCCO2)C1 ZINC000035526850 525802558 /nfs/dbraw/zinc/80/25/58/525802558.db2.gz GXAGWAJYYJDVOH-FXAWDEMLSA-N 0 0 377.460 2.433 10 0 GEAERN COc1ccccc1N1CCN(c2ncnc3n[nH]c(Br)c32)CC1 ZINC000059206027 537071876 /nfs/dbraw/zinc/07/18/76/537071876.db2.gz CQXAPCMYRSTDGK-UHFFFAOYSA-N 0 0 389.257 2.451 10 0 GEAERN COCCCOc1cc[n+]([O-])c(C[S@](=O)c2nc3ccccc3[nH]2)c1C ZINC000022066258 570303883 /nfs/dbraw/zinc/30/38/83/570303883.db2.gz ZOEQFVVMBAVTRU-AREMUKBSSA-N 0 0 375.450 2.228 10 0 in-vitro GEAERN COCCCOc1cc[n+]([O-])c(C[S@@](=O)c2nc3ccccc3[nH]2)c1C ZINC000022066255 570303971 /nfs/dbraw/zinc/30/39/71/570303971.db2.gz ZOEQFVVMBAVTRU-SANMLTNESA-N 0 0 375.450 2.228 10 0 in-vitro GEAERN COc1ccccc1N1CCN([C@H]2CCCN(C(=O)Cn3ccc(C)n3)C2)CC1 ZINC000014979655 570510799 /nfs/dbraw/zinc/51/07/99/570510799.db2.gz AYHCZZSKBVTAHT-IBGZPJMESA-N 0 0 397.523 2.013 10 0 GEAERN O=C(C[C@H]1C(=O)NCCN1Cc1cccc2ccccc21)NCC1CCOCC1 ZINC000012429499 570674457 /nfs/dbraw/zinc/67/44/57/570674457.db2.gz LZYOXGDRICCFMN-NRFANRHFSA-N 0 0 395.503 2.073 10 0 GEAERN O=C(NC[C@H]1CCCO1)C1CCC(CNS(=O)(=O)c2ccccc2)CC1 ZINC000003053863 570680502 /nfs/dbraw/zinc/68/05/02/570680502.db2.gz RECDTTXNTYEKHE-OFLPRAFFSA-N 0 0 380.510 2.067 10 0 GEAERN CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)C2=Cc3ccccc3CC2)C1 ZINC000189186507 570746810 /nfs/dbraw/zinc/74/68/10/570746810.db2.gz QYUBSZZGZOJTNH-DOTOQJQBSA-N 0 0 375.450 2.457 10 0 GEAERN O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000169990358 570782852 /nfs/dbraw/zinc/78/28/52/570782852.db2.gz PTWYUJCVWUHIMX-RTHVDDQRSA-N 0 0 389.473 2.487 10 0 GEAERN COc1ccc2c(c1)[C@]1(C[C@@H]1C(=O)N[C@@](C)(C(N)=O)c1ccccc1)CCO2 ZINC000583620149 570801122 /nfs/dbraw/zinc/80/11/22/570801122.db2.gz HOALKQYYRZSTQP-ZPMCFJSWSA-N 0 0 380.444 2.252 10 0 GEAERN CC(C)c1ccc([C@H](C)NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)cc1 ZINC000029427354 642464195 /nfs/dbraw/zinc/46/41/95/642464195.db2.gz JXGXUCVPMKCBJU-NSHDSACASA-N 0 0 394.269 2.300 10 0 GEAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1cccc(F)c1I ZINC000533085874 650756668 /nfs/dbraw/zinc/75/66/68/650756668.db2.gz DUAGDJOCVYNUSR-LLVKDONJSA-N 0 0 390.196 2.123 10 0 GEAERN C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000049674767 642670164 /nfs/dbraw/zinc/67/01/64/642670164.db2.gz OOCLDZUZMQRWJP-RISCZKNCSA-N 0 0 390.299 2.048 10 0 GEAERN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NCc2cscn2)cc1 ZINC000050684805 642686933 /nfs/dbraw/zinc/68/69/33/642686933.db2.gz KJIYROIIZWQXLI-MRXNPFEDSA-N 0 0 381.523 2.461 10 0 GEAERN COC(=O)[C@@H]1CCCN(C(=O)CCN2C(=S)N=NC2c2cccs2)C1 ZINC000066144111 642898558 /nfs/dbraw/zinc/89/85/58/642898558.db2.gz XYUUNLIXRMBDHO-LLVKDONJSA-N 0 0 380.495 2.097 10 0 GEAERN O=S(=O)(NCC1CC(O)C1)c1cc(Br)ccc1Br ZINC000091524846 643065640 /nfs/dbraw/zinc/06/56/40/643065640.db2.gz VARWQIALESERQI-UHFFFAOYSA-N 0 0 399.104 2.261 10 0 GEAERN O=S(=O)(NCC1CC(O)C1)c1ccc(Br)cc1Br ZINC000091525305 643065888 /nfs/dbraw/zinc/06/58/88/643065888.db2.gz LTZYGVDFQIQPJL-UHFFFAOYSA-N 0 0 399.104 2.261 10 0 GEAERN COCCN1CCN(C(=O)N[C@H](C)c2cccc(Br)c2)CC1=O ZINC000093288112 643075366 /nfs/dbraw/zinc/07/53/66/643075366.db2.gz XCWZXTKTHPOGHL-GFCCVEGCSA-N 0 0 384.274 2.010 10 0 GEAERN CCCC(=O)N[C@H]1CCCN(CC(=O)Nc2ccc(Br)cn2)C1 ZINC000101564148 643108086 /nfs/dbraw/zinc/10/80/86/643108086.db2.gz KWHXVLHDCXOTEU-ZDUSSCGKSA-N 0 0 383.290 2.163 10 0 GEAERN CC(C)(C)OC[C@@H](O)CN1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000101733179 643115607 /nfs/dbraw/zinc/11/56/07/643115607.db2.gz HXPMNIKIJANSER-INIZCTEOSA-N 0 0 399.329 2.383 10 0 GEAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2Br)C1 ZINC000102102575 643122872 /nfs/dbraw/zinc/12/28/72/643122872.db2.gz BEIQFOHIIYLVKA-LBPRGKRZSA-N 0 0 396.285 2.295 10 0 GEAERN C[C@@H]1CN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)C[C@@H](C)O1 ZINC000103426250 643164611 /nfs/dbraw/zinc/16/46/11/643164611.db2.gz YPVIEXABHQOKQU-NXEZZACHSA-N 0 0 376.272 2.102 10 0 GEAERN CCNC(=O)CCCC(=O)N[C@@H](CC(=O)OC)c1cccc(Br)c1 ZINC000104148204 643178467 /nfs/dbraw/zinc/17/84/67/643178467.db2.gz VJBKDGKJUXJGAW-AWEZNQCLSA-N 0 0 399.285 2.476 10 0 GEAERN C[C@@H](CCc1ccc(Br)cc1)NC(=O)NC[C@H]1CN(C)CCO1 ZINC000104791407 643194313 /nfs/dbraw/zinc/19/43/13/643194313.db2.gz CIDYGAKVTVZNMV-BBRMVZONSA-N 0 0 384.318 2.400 10 0 GEAERN CCOCCN1CCN([C@H](C(N)=O)c2ccc(Br)cc2)C[C@@H]1C ZINC000106110555 643223277 /nfs/dbraw/zinc/22/32/77/643223277.db2.gz STCYVLHUMJNLNH-BBRMVZONSA-N 0 0 384.318 2.018 10 0 GEAERN Cc1cnn(C[C@H]2CN(C[C@H](O)c3cccc(Br)c3)CCO2)c1 ZINC000106197795 643225623 /nfs/dbraw/zinc/22/56/23/643225623.db2.gz CVKKWYZKQUTRCZ-SJORKVTESA-N 0 0 380.286 2.388 10 0 GEAERN CNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000109082545 643289550 /nfs/dbraw/zinc/28/95/50/643289550.db2.gz MTYCMICTQBZDJN-VXGBXAGGSA-N 0 0 386.445 2.354 10 0 GEAERN Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)c3cc(F)ccc3Cl)CCO2)n1 ZINC000111345126 643335522 /nfs/dbraw/zinc/33/55/22/643335522.db2.gz LTZNCKMCLNCJDZ-CQSZACIVSA-N 0 0 387.864 2.382 10 0 GEAERN O=C(NCc1ccc(Br)cc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111860541 643348861 /nfs/dbraw/zinc/34/88/61/643348861.db2.gz RDTQWGSGXBICPC-HNNXBMFYSA-N 0 0 379.258 2.256 10 0 GEAERN CCc1noc([C@H](C)N2CCN(Cn3nc(N(C)C)sc3=S)CC2)n1 ZINC000112070776 643352952 /nfs/dbraw/zinc/35/29/52/643352952.db2.gz QNRSQSLBCKECFE-NSHDSACASA-N 0 0 383.547 2.022 10 0 GEAERN CC[C@@H](O)CN1CCN(C(=O)[C@H](C)Oc2ccccc2Br)CC1 ZINC000112294498 643357914 /nfs/dbraw/zinc/35/79/14/643357914.db2.gz VMSABCBMOYSMIO-UONOGXRCSA-N 0 0 385.302 2.132 10 0 GEAERN O=C(NCCc1cc(Br)ccc1F)N[C@@H]1CCc2ncnn2C1 ZINC000112746356 643372479 /nfs/dbraw/zinc/37/24/79/643372479.db2.gz OZQHPAIFDQWVSB-GFCCVEGCSA-N 0 0 382.237 2.036 10 0 GEAERN O=C(NCCc1ccc(F)c(Br)c1)N[C@@H]1CCc2ncnn2C1 ZINC000112745168 643372673 /nfs/dbraw/zinc/37/26/73/643372673.db2.gz XXJDNKDPTAXMIF-LLVKDONJSA-N 0 0 382.237 2.036 10 0 GEAERN CCc1csc([C@@H]2CCCN(C(=O)c3ccc(S(=O)(=O)NC)o3)C2)n1 ZINC000113201791 643385120 /nfs/dbraw/zinc/38/51/20/643385120.db2.gz YXCHDOQDVXEULG-LLVKDONJSA-N 0 0 383.495 2.226 10 0 GEAERN CC(C)(C)n1cc(CN2CCN(Cn3cc(Br)cn3)CC2)cn1 ZINC000113924868 643406244 /nfs/dbraw/zinc/40/62/44/643406244.db2.gz FCPSQQZRJMSNIN-UHFFFAOYSA-N 0 0 381.322 2.372 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1cc(Br)cs1)CC2 ZINC000114934215 643427592 /nfs/dbraw/zinc/42/75/92/643427592.db2.gz GVSJYFLOAUHCEG-JTQLQIEISA-N 0 0 384.303 2.479 10 0 GEAERN Cn1cc([C@@H]2CCN(C(=O)c3sccc3S(=O)(=O)C(F)F)C2)cn1 ZINC000116122049 643452296 /nfs/dbraw/zinc/45/22/96/643452296.db2.gz GENYNBZMUXAZCG-SECBINFHSA-N 0 0 375.422 2.108 10 0 GEAERN Cc1ccc(NC(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1Br ZINC000116587382 643465464 /nfs/dbraw/zinc/46/54/64/643465464.db2.gz ZOBMTHKMZSMKLR-GFCCVEGCSA-N 0 0 391.269 2.446 10 0 GEAERN COCCN1CCN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C[C@H]1C ZINC000117369303 643489409 /nfs/dbraw/zinc/48/94/09/643489409.db2.gz AKSTWIJBFNPICX-LLVKDONJSA-N 0 0 384.395 2.186 10 0 GEAERN CC[C@H]1CN(S(=O)(=O)c2sccc2Br)CCN1CCOC ZINC000117372327 643490167 /nfs/dbraw/zinc/49/01/67/643490167.db2.gz CHTNXDXYLPVFPU-NSHDSACASA-N 0 0 397.360 2.242 10 0 GEAERN Cc1cnn(CCNC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)c1 ZINC000117813736 643499237 /nfs/dbraw/zinc/49/92/37/643499237.db2.gz NBTBETWLPZZCKW-ZDUSSCGKSA-N 0 0 391.269 2.123 10 0 GEAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc(Br)cc2Cl)c1 ZINC000118133017 643506558 /nfs/dbraw/zinc/50/65/58/643506558.db2.gz MQFLLFACPYAXOM-UHFFFAOYSA-N 0 0 385.649 2.362 10 0 GEAERN Cc1cnn(CCNC(=O)C(=O)Nc2c(C)cc(Br)cc2C)c1 ZINC000118133739 643506847 /nfs/dbraw/zinc/50/68/47/643506847.db2.gz RIUKRNWLACBNFI-UHFFFAOYSA-N 0 0 379.258 2.326 10 0 GEAERN O=C(COc1ccc(Br)cc1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000118674512 643519268 /nfs/dbraw/zinc/51/92/68/643519268.db2.gz YJSQMJXYKCQSJS-AWEZNQCLSA-N 0 0 391.269 2.403 10 0 GEAERN CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(I)cc1 ZINC000118789173 643522451 /nfs/dbraw/zinc/52/24/51/643522451.db2.gz JSCOYXIWONPXOH-GFCCVEGCSA-N 0 0 387.221 2.376 10 0 GEAERN C[C@H](CNC(=O)Cc1cc(Cl)ccc1Br)N1CCOCC1 ZINC000119079245 643533522 /nfs/dbraw/zinc/53/35/22/643533522.db2.gz JNNXTGYWVHYILV-LLVKDONJSA-N 0 0 375.694 2.482 10 0 GEAERN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000120286187 643598336 /nfs/dbraw/zinc/59/83/36/643598336.db2.gz WRVZOMIXCNYTSR-FZMZJTMJSA-N 0 0 391.269 2.381 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc(O)c(Br)c1 ZINC000120487669 643611256 /nfs/dbraw/zinc/61/12/56/643611256.db2.gz NJVLSIHPLHCREF-GFCCVEGCSA-N 0 0 380.246 2.389 10 0 GEAERN O=C(NCc1nnc(-c2ccc(Br)cc2)[nH]1)N[C@H]1CCCC[C@H]1O ZINC000120522097 643615355 /nfs/dbraw/zinc/61/53/55/643615355.db2.gz LJCBRGYBKXEHFU-QWHCGFSZSA-N 0 0 394.273 2.337 10 0 GEAERN O=C(NCc1nnc(-c2ccc(Br)cc2)[nH]1)N[C@@H]1CCCC[C@@H]1O ZINC000120521605 643615382 /nfs/dbraw/zinc/61/53/82/643615382.db2.gz LJCBRGYBKXEHFU-OLZOCXBDSA-N 0 0 394.273 2.337 10 0 GEAERN Cc1cc(S(=O)(=O)N(C)C(=O)[C@H]2CC[C@H](C)O2)ccc1Br ZINC000124295914 643684128 /nfs/dbraw/zinc/68/41/28/643684128.db2.gz FWTFZVFPYPHGMS-GXFFZTMASA-N 0 0 376.272 2.472 10 0 GEAERN CCc1nc2n(n1)CCC[C@@H]2N[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000126048518 643719975 /nfs/dbraw/zinc/71/99/75/643719975.db2.gz IKHUYMCELHJGKD-JSGCOSHPSA-N 0 0 378.274 2.254 10 0 GEAERN COC(=O)C[C@H](NC(=O)CCc1nc(C)no1)c1cccc(Br)c1 ZINC000126155688 643723078 /nfs/dbraw/zinc/72/30/78/643723078.db2.gz JZKGYDJPTPTZLS-ZDUSSCGKSA-N 0 0 396.241 2.494 10 0 GEAERN Cc1nccn1C[C@@H]1CCCN1C(=O)c1cncc(I)c1 ZINC000126960819 643752119 /nfs/dbraw/zinc/75/21/19/643752119.db2.gz DDLOMGUOMRKHNU-AWEZNQCLSA-N 0 0 396.232 2.496 10 0 GEAERN C[C@@H](NCC(=O)NCCCN1CCCC1=O)c1ccccc1Br ZINC000127130742 643758685 /nfs/dbraw/zinc/75/86/85/643758685.db2.gz DQVWZUDOHGCAKC-CYBMUJFWSA-N 0 0 382.302 2.228 10 0 GEAERN C[C@@H]1COC[C@@H](C)N1C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000130505175 643841263 /nfs/dbraw/zinc/84/12/63/643841263.db2.gz WUGYTYIWUUYACB-NXEZZACHSA-N 0 0 375.288 2.218 10 0 GEAERN COc1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2CO)ccc1Br ZINC000130578371 643844307 /nfs/dbraw/zinc/84/43/07/643844307.db2.gz UPGZMVFAVFCVKM-GXFFZTMASA-N 0 0 385.258 2.064 10 0 GEAERN O=C(N[C@@H]1CCCC[C@@H]1CO)C(=O)N1CCc2ccc(Br)cc21 ZINC000130641790 643846144 /nfs/dbraw/zinc/84/61/44/643846144.db2.gz BFEAFTWUNGTCDF-TZMCWYRMSA-N 0 0 381.270 2.006 10 0 GEAERN Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCC[C@H]2c2ccco2)s1 ZINC000131275750 643869624 /nfs/dbraw/zinc/86/96/24/643869624.db2.gz CDFXOFRWOURQDU-ZDUSSCGKSA-N 0 0 383.495 2.475 10 0 GEAERN C[C@H]1COC[C@H](C)N1C(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000155113829 644065357 /nfs/dbraw/zinc/06/53/57/644065357.db2.gz PSFVPSGJEQEKQE-QWRGUYRKSA-N 0 0 395.308 2.298 10 0 GEAERN O=C(Nc1ccc(Cl)c(Br)c1)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000156402578 644094160 /nfs/dbraw/zinc/09/41/60/644094160.db2.gz GJGPDMUEJXZRIY-LLVKDONJSA-N 0 0 398.648 2.284 10 0 GEAERN CC(C)[C@@H](O)CC(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000156551460 644102475 /nfs/dbraw/zinc/10/24/75/644102475.db2.gz LNIWYTUVNXPDPW-JSGCOSHPSA-N 0 0 398.301 2.428 10 0 GEAERN COc1ccc(Br)c(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)c1 ZINC000158475969 644146319 /nfs/dbraw/zinc/14/63/19/644146319.db2.gz RDDXLSQRPJYVRM-HZMBPMFUSA-N 0 0 385.258 2.064 10 0 GEAERN CCOc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2O)cc1Br ZINC000158522154 644147397 /nfs/dbraw/zinc/14/73/97/644147397.db2.gz WWTIKQPHSPMBBO-OLZOCXBDSA-N 0 0 378.288 2.430 10 0 GEAERN C[C@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)c1ccc(F)c(Cl)c1 ZINC000161160941 644208653 /nfs/dbraw/zinc/20/86/53/644208653.db2.gz CINQOBDPOCXHOZ-NSHDSACASA-N 0 0 378.853 2.213 10 0 GEAERN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000162392979 644235901 /nfs/dbraw/zinc/23/59/01/644235901.db2.gz LNULOJSMKSJKAJ-WFASDCNBSA-N 0 0 383.286 2.105 10 0 GEAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000166868334 644278644 /nfs/dbraw/zinc/27/86/44/644278644.db2.gz GTRUVLSLRNWCJE-LLVKDONJSA-N 0 0 377.750 2.034 10 0 GEAERN O=C(c1cc(Br)c2c(c1)OCCO2)N1CCC[C@H](n2cncn2)C1 ZINC000170898376 644296194 /nfs/dbraw/zinc/29/61/94/644296194.db2.gz PDHPGMQOCHGDQE-LBPRGKRZSA-N 0 0 393.241 2.289 10 0 GEAERN Cc1ncc(CN2CCN(CCCS(=O)(=O)c3ccccc3)CC2)s1 ZINC000170941486 644297215 /nfs/dbraw/zinc/29/72/15/644297215.db2.gz YMFBTTRUXDGROC-UHFFFAOYSA-N 0 0 379.551 2.433 10 0 GEAERN Cn1nc(Br)c2c1ncnc2N1CCO[C@H](c2nccs2)C1 ZINC000171131982 644313498 /nfs/dbraw/zinc/31/34/98/644313498.db2.gz UCAWYGLIADQUSE-QMMMGPOBSA-N 0 0 381.259 2.160 10 0 GEAERN COC(=O)[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000171375531 644320496 /nfs/dbraw/zinc/32/04/96/644320496.db2.gz WEHIXNLMMOHXLW-STQMWFEESA-N 0 0 385.247 2.087 10 0 GEAERN COC[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000171427085 644322036 /nfs/dbraw/zinc/32/20/36/644322036.db2.gz MOUTVZXWCBGEDB-LLVKDONJSA-N 0 0 395.308 2.109 10 0 GEAERN CCOc1ccc(Br)cc1CN(C(=O)[C@H]1CNC(=O)C1)C1CC1 ZINC000171489763 644325193 /nfs/dbraw/zinc/32/51/93/644325193.db2.gz ZHYAYDFDZMEHLZ-LLVKDONJSA-N 0 0 381.270 2.475 10 0 GEAERN CCc1noc([C@H](C)N2CCN(C(=O)NCCSC(F)(F)F)CC2)n1 ZINC000171918743 644334351 /nfs/dbraw/zinc/33/43/51/644334351.db2.gz QCYRVSGVWOEETN-JTQLQIEISA-N 0 0 381.424 2.273 10 0 GEAERN O=S(=O)(c1ccc(SC(F)(F)F)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173644906 644359965 /nfs/dbraw/zinc/35/99/65/644359965.db2.gz SXOHIGOMAWICAE-GFCCVEGCSA-N 0 0 396.456 2.394 10 0 GEAERN CS(=O)(=O)CCn1ccc(NC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000173961849 644365075 /nfs/dbraw/zinc/36/50/75/644365075.db2.gz AQZAXTYBGFXWDA-QWRGUYRKSA-N 0 0 382.408 2.170 10 0 GEAERN Cc1cc2c(cc1Br)N(C[C@H](O)CN1CCCC1=O)C[C@@H](C)O2 ZINC000175598612 644392244 /nfs/dbraw/zinc/39/22/44/644392244.db2.gz UKWGVXYVXMNGNV-CHWSQXEVSA-N 0 0 383.286 2.328 10 0 GEAERN CS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC[C@@H]2CO)ccc1Br ZINC000179250003 644454526 /nfs/dbraw/zinc/45/45/26/644454526.db2.gz AQRHBPSKIDNVMY-DGCLKSJQSA-N 0 0 390.299 2.134 10 0 GEAERN Cn1c(CS(=O)(=O)CC(=O)Nc2ccc(F)c(Cl)c2)nnc1C1CC1 ZINC000180067637 644486824 /nfs/dbraw/zinc/48/68/24/644486824.db2.gz IOPXODTYOFRBNX-UHFFFAOYSA-N 0 0 386.836 2.039 10 0 GEAERN O=C(Nc1cc(F)c(Br)c(F)c1)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000180114054 644489120 /nfs/dbraw/zinc/48/91/20/644489120.db2.gz ZNIAMBNXIBXWJE-QPUJVOFHSA-N 0 0 391.212 2.333 10 0 GEAERN COc1ccc(Cl)c(S(=O)(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000181725419 644945034 /nfs/dbraw/zinc/94/50/34/644945034.db2.gz TVMSWLFMDFGFRD-NSHDSACASA-N 0 0 384.889 2.357 10 0 GEAERN CC(C)c1nnc2n1C[C@H](NS(=O)(=O)c1ccc(Cl)nc1Cl)CC2 ZINC000181727942 644945492 /nfs/dbraw/zinc/94/54/92/644945492.db2.gz RWOKNYISYCHJNH-SECBINFHSA-N 0 0 390.296 2.397 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)N[C@H](C)Cc2ccccc2Br)CC1 ZINC000181986373 644954022 /nfs/dbraw/zinc/95/40/22/644954022.db2.gz RHEAPJKWQAADAT-ZBFHGGJFSA-N 0 0 398.345 2.478 10 0 GEAERN Cn1cc([C@@H]2CCN(S(=O)(=O)c3ccc(Br)cc3F)C2)cn1 ZINC000184741890 645025044 /nfs/dbraw/zinc/02/50/44/645025044.db2.gz HKAJYOUKGXFZRI-SNVBAGLBSA-N 0 0 388.262 2.500 10 0 GEAERN Cc1noc([C@@H]2COCCN2Cc2cc3c(cc2Br)OCCO3)n1 ZINC000185079257 645034021 /nfs/dbraw/zinc/03/40/21/645034021.db2.gz IYPFOEYQPSTVJR-ZDUSSCGKSA-N 0 0 396.241 2.485 10 0 GEAERN Cc1noc([C@H]2COCCN2CC(=O)Nc2ccc(Br)cc2C)n1 ZINC000185087277 645034357 /nfs/dbraw/zinc/03/43/57/645034357.db2.gz IBYNELHRJWDKLF-CQSZACIVSA-N 0 0 395.257 2.461 10 0 GEAERN CCO[C@@H]1C[C@H](NS(=O)(=O)c2ccc(F)c(F)c2F)C12CCOCC2 ZINC000185155903 645037570 /nfs/dbraw/zinc/03/75/70/645037570.db2.gz XVYOSYXDTYPPMU-QWHCGFSZSA-N 0 0 379.400 2.356 10 0 GEAERN O=C(NC1CN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1)C1CCC1 ZINC000186182718 645062930 /nfs/dbraw/zinc/06/29/30/645062930.db2.gz JOMNFYJVBJMCRM-UHFFFAOYSA-N 0 0 377.293 2.424 10 0 GEAERN O=C(NC1CN(C(=O)c2ccccc2I)C1)C1CCC1 ZINC000188559425 645119229 /nfs/dbraw/zinc/11/92/29/645119229.db2.gz IAMWUOIBFHDUHN-UHFFFAOYSA-N 0 0 384.217 2.032 10 0 GEAERN C[C@@H](NC(=O)c1ncc(Br)s1)c1ccc(S(N)(=O)=O)cc1 ZINC000192406924 645203168 /nfs/dbraw/zinc/20/31/68/645203168.db2.gz RHMGLTMKYKQSSX-SSDOTTSWSA-N 0 0 390.284 2.044 10 0 GEAERN C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000192842567 645224466 /nfs/dbraw/zinc/22/44/66/645224466.db2.gz LONWMBOIDQXOBZ-SNVBAGLBSA-N 0 0 385.848 2.416 10 0 GEAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(Cl)cc1 ZINC000192967324 645234624 /nfs/dbraw/zinc/23/46/24/645234624.db2.gz UKJDLVLLMBSTHV-LLVKDONJSA-N 0 0 377.853 2.083 10 0 GEAERN O=C(c1ncccc1Br)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000193173484 645248594 /nfs/dbraw/zinc/24/85/94/645248594.db2.gz ABLVXHLOVSGZEC-MRXNPFEDSA-N 0 0 390.281 2.336 10 0 GEAERN O=C(NCCCOCC(F)(F)F)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000193244921 645255493 /nfs/dbraw/zinc/25/54/93/645255493.db2.gz HSUXKJBHFXBIQS-LBPRGKRZSA-N 0 0 380.388 2.173 10 0 GEAERN CC[C@H](CNC(=O)[C@H]1C[C@@H](O)CN1C(C)=O)Cc1cccc(Br)c1 ZINC000193304646 645264761 /nfs/dbraw/zinc/26/47/61/645264761.db2.gz OTTACWFJVOPCJY-IAOVAPTHSA-N 0 0 397.313 2.116 10 0 GEAERN O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CCO[C@H](c2nccs2)C1 ZINC000193745741 645295681 /nfs/dbraw/zinc/29/56/81/645295681.db2.gz RFEDWUFGNTUUDA-VIFPVBQESA-N 0 0 382.360 2.462 10 0 GEAERN Cc1cc(NC(=O)[C@@H](C)N2CC[C@@H](N3CCOCC3)C2)ccc1Br ZINC000245442138 645455031 /nfs/dbraw/zinc/45/50/31/645455031.db2.gz HUVLHCKNGWFKJZ-GDBMZVCRSA-N 0 0 396.329 2.491 10 0 GEAERN C[C@@H]1CN(C(=O)[C@H]2COc3ccc(Br)cc32)C[C@H]1N1CCOCC1 ZINC000245690461 645467038 /nfs/dbraw/zinc/46/70/38/645467038.db2.gz XBEGBDRWBFULIO-UHOFOFEASA-N 0 0 395.297 2.104 10 0 GEAERN C[C@@H]1CN([C@H](CNC(=O)c2cc(C(N)=O)cs2)c2cccs2)CCO1 ZINC000246821682 645496293 /nfs/dbraw/zinc/49/62/93/645496293.db2.gz KQLWNGLVDSGKAF-DGCLKSJQSA-N 0 0 379.507 2.100 10 0 GEAERN C[C@@H]1CN([C@H](CNC(=O)CSc2nncs2)c2cccs2)CCO1 ZINC000247010640 645501269 /nfs/dbraw/zinc/50/12/69/645501269.db2.gz RNGKEOWQBIZRJH-VXGBXAGGSA-N 0 0 384.552 2.270 10 0 GEAERN C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247576202 645514299 /nfs/dbraw/zinc/51/42/99/645514299.db2.gz HUMWEQLJASJVKA-XJKSGUPXSA-N 0 0 393.285 2.374 10 0 GEAERN Cc1nnc([C@H]2CN(C[C@@H](O)COc3ccc(Cl)cc3Cl)CCO2)[nH]1 ZINC000247705181 645516508 /nfs/dbraw/zinc/51/65/08/645516508.db2.gz YTMBSXJWOCWYKB-IUODEOHRSA-N 0 0 387.267 2.233 10 0 GEAERN CCOCCN1CCN(CC(=O)Nc2ccc(Br)cc2)C[C@H]1C ZINC000247734264 645516536 /nfs/dbraw/zinc/51/65/36/645516536.db2.gz MNUOQGFYGXOKIH-CQSZACIVSA-N 0 0 384.318 2.430 10 0 GEAERN COCCN1CCN([C@H](C)C(=O)Nc2cccc(Br)c2)C[C@@H]1C ZINC000247768837 645517156 /nfs/dbraw/zinc/51/71/56/645517156.db2.gz OPBZZCKPTXOWIB-UONOGXRCSA-N 0 0 384.318 2.429 10 0 GEAERN O[C@@H](COc1c(Cl)cccc1Cl)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000247773091 645518017 /nfs/dbraw/zinc/51/80/17/645518017.db2.gz PSDCWUZWBAHPRE-ZIAGYGMSSA-N 0 0 386.279 2.331 10 0 GEAERN O=C(N[C@H]1CCC(=O)NC1=O)[C@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000248493057 645530051 /nfs/dbraw/zinc/53/00/51/645530051.db2.gz JSGSUZIGKKMMCW-WHOFXGATSA-N 0 0 385.247 2.383 10 0 GEAERN COc1cc(Br)cc(S(=O)(=O)N2CCN3CCCC[C@H]3C2)c1 ZINC000248756401 645537491 /nfs/dbraw/zinc/53/74/91/645537491.db2.gz WCOOTWZZSONQHX-ZDUSSCGKSA-N 0 0 389.315 2.317 10 0 GEAERN NCc1nc(CN2CCC[C@H]2c2ccc(I)cc2)no1 ZINC000262262607 645623199 /nfs/dbraw/zinc/62/31/99/645623199.db2.gz RJFLSEPISKZZJF-LBPRGKRZSA-N 0 0 384.221 2.470 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CCOc2ccccc2Br)C1 ZINC000262734227 645643108 /nfs/dbraw/zinc/64/31/08/645643108.db2.gz VDFIEKIXENILIV-UHFFFAOYSA-N 0 0 399.285 2.272 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Cc2ccc(F)c(Br)c2)C1 ZINC000262833306 645646915 /nfs/dbraw/zinc/64/69/15/645646915.db2.gz RVUVNZHOADSIHD-UHFFFAOYSA-N 0 0 387.249 2.184 10 0 GEAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)Nc2cncc(Br)c2)C1 ZINC000262986239 645649388 /nfs/dbraw/zinc/64/93/88/645649388.db2.gz CSPSRXMRKUISQW-UHFFFAOYSA-N 0 0 397.273 2.293 10 0 GEAERN Cc1ccc(S(=O)(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)cc1Cl ZINC000263454100 645665500 /nfs/dbraw/zinc/66/55/00/645665500.db2.gz BKWZSNWXCIFLSO-UHFFFAOYSA-N 0 0 386.901 2.254 10 0 GEAERN COc1cc(Cl)c(CN2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)cc1Cl ZINC000263485865 645665980 /nfs/dbraw/zinc/66/59/80/645665980.db2.gz HIVUSXZCSSEHJR-GFCCVEGCSA-N 0 0 377.268 2.219 10 0 GEAERN Cn1cc([C@H]2CS(=O)(=O)CCN2Cc2cc(-c3cccs3)on2)cn1 ZINC000279298316 646588477 /nfs/dbraw/zinc/58/84/77/646588477.db2.gz QCZDXAIKRAFMAX-CQSZACIVSA-N 0 0 378.479 2.108 10 0 GEAERN C[C@@H]1NC(=O)CC[C@@H]1NCc1ncc(Br)cc1Br ZINC000392856567 647894953 /nfs/dbraw/zinc/89/49/53/647894953.db2.gz BBCLRJWDGNQQKF-XVKPBYJWSA-N 0 0 377.080 2.363 10 0 GEAERN O=C(N[C@H]1CCOC[C@@H]1O)c1cc(Br)sc1Br ZINC000629233713 652481572 /nfs/dbraw/zinc/48/15/72/652481572.db2.gz BDIWHQQLGLDQIE-BQBZGAKWSA-N 0 0 385.077 2.153 10 0 GEAERN Cc1nc([C@@H](C)NC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)cs1 ZINC000669646989 652710453 /nfs/dbraw/zinc/71/04/53/652710453.db2.gz AVLUKYXKXXMTDO-GFCCVEGCSA-N 0 0 386.543 2.112 10 0 GEAERN COc1cc(I)c(Cl)cc1C(=O)NC1CC(CO)C1 ZINC000598530339 652819821 /nfs/dbraw/zinc/81/98/21/652819821.db2.gz HRAAXHQSKPBLFL-UHFFFAOYSA-N 0 0 395.624 2.454 10 0 GEAERN CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2ccc(Br)cc2)[C@H](O)C1 ZINC000702851784 653320830 /nfs/dbraw/zinc/32/08/30/653320830.db2.gz PBMGDZLPSNROSP-TZMCWYRMSA-N 0 0 399.285 2.407 10 0 GEAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cccc(Br)c2)C1 ZINC000705653613 653321083 /nfs/dbraw/zinc/32/10/83/653321083.db2.gz AALAMXQSSQGLLX-JSGCOSHPSA-N 0 0 399.285 2.407 10 0 GEAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2nc(Cl)ccc2Cl)C1 ZINC000705695865 653321922 /nfs/dbraw/zinc/32/19/22/653321922.db2.gz NJOULPBVQZUFLZ-ONGXEEELSA-N 0 0 390.267 2.346 10 0 GEAERN C[C@H](O)CN1CCN(C(=O)Nc2c(Cl)n(C)nc2C(F)(F)F)C[C@H]1C ZINC000889196302 654128824 /nfs/dbraw/zinc/12/88/24/654128824.db2.gz LJYDZIWYSTWBHI-BDAKNGLRSA-N 0 0 383.802 2.011 10 0 GEAERN C[C@H]1OCC[C@H]1NC(=O)c1cnn(C(C)(C)C)c1I ZINC000889778007 654172417 /nfs/dbraw/zinc/17/24/17/654172417.db2.gz OPFGHRUTFOTXGV-PSASIEDQSA-N 0 0 377.226 2.150 10 0 GEAERN O=C(CN1CC[C@@H](n2cc(C3CC3)nn2)C1)Nc1ccc(Br)cn1 ZINC000931121627 654729911 /nfs/dbraw/zinc/72/99/11/654729911.db2.gz CWWBYXZDCKXULS-CYBMUJFWSA-N 0 0 391.273 2.199 10 0 GEAERN C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@@H](O)c1ccc(OS(=O)(=O)[O-])cc1 ZINC000504300754 231308400 /nfs/dbraw/zinc/30/84/00/231308400.db2.gz NMAZAVFSVLQMGG-FZKQIMNGSA-N 0 0 381.450 2.218 10 0 GEAERN CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000151505124 531506382 /nfs/dbraw/zinc/50/63/82/531506382.db2.gz PEGWWQSMDVCUFQ-CYBMUJFWSA-N 0 0 380.853 2.432 10 0 GEAERN Cc1noc([C@H]2COCCN2C(=O)Cc2cc(Br)ccc2F)n1 ZINC000152762999 531569887 /nfs/dbraw/zinc/56/98/87/531569887.db2.gz RRCWBDWFCSTPNO-CYBMUJFWSA-N 0 0 384.205 2.422 10 0 GEAERN C[C@@H]1CN(C(=O)Cc2cc(F)ccc2Br)C[C@@H]1N1CCOCC1 ZINC000153265172 531593436 /nfs/dbraw/zinc/59/34/36/531593436.db2.gz DVTMHLXEWBIIAE-WBMJQRKESA-N 0 0 385.277 2.310 10 0 GEAERN Cc1ccc([C@@H](CNC(=O)NCCc2cscn2)N2CCOCC2)s1 ZINC000153720595 531607589 /nfs/dbraw/zinc/60/75/89/531607589.db2.gz XWPCYFNVSZLUDQ-OAHLLOKOSA-N 0 0 380.539 2.428 10 0 GEAERN C[C@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)c1ccccc1Br ZINC000025320277 531612736 /nfs/dbraw/zinc/61/27/36/531612736.db2.gz JSUSHCIKYCNKEM-GWCFXTLKSA-N 0 0 375.288 2.050 10 0 GEAERN Cc1nc(CN2CCCN(C(=O)c3ccc(Br)c(O)c3)CC2)no1 ZINC000154830584 531636238 /nfs/dbraw/zinc/63/62/38/531636238.db2.gz ULZCNSXLPCTFHX-UHFFFAOYSA-N 0 0 395.257 2.194 10 0 GEAERN CN(C)C[C@H]1CN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)CCO1 ZINC000155282641 531673024 /nfs/dbraw/zinc/67/30/24/531673024.db2.gz VEADBQCBIMXMKD-ZDUSSCGKSA-N 0 0 381.325 2.030 10 0 GEAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(Br)cc1OC ZINC000155389426 531680898 /nfs/dbraw/zinc/68/08/98/531680898.db2.gz VQMZVDIYVLITCV-GFCCVEGCSA-N 0 0 395.257 2.461 10 0 GEAERN Cc1noc([C@@H]2COCCN2C(=O)COc2ccc(Br)cc2)n1 ZINC000155409212 531682773 /nfs/dbraw/zinc/68/27/73/531682773.db2.gz LKZIMGFOELMNBR-ZDUSSCGKSA-N 0 0 382.214 2.119 10 0 GEAERN COC(=O)[C@H]1CCCCN1C(=O)C(=O)Nc1cc(Br)ccc1F ZINC000155750733 531698786 /nfs/dbraw/zinc/69/87/86/531698786.db2.gz XYEQDSBHFLQPFN-GFCCVEGCSA-N 0 0 387.205 2.081 10 0 GEAERN C[C@H](NC(=O)NCc1ccc(S(N)(=O)=O)s1)c1ccc(F)c(F)c1 ZINC000054391589 531777700 /nfs/dbraw/zinc/77/77/00/531777700.db2.gz XKJWTVQXNGECPO-QMMMGPOBSA-N 0 0 375.422 2.234 10 0 GEAERN O=C(c1ccccc1I)N1CCC[C@H](n2cncn2)C1 ZINC000171665417 531910858 /nfs/dbraw/zinc/91/08/58/531910858.db2.gz HZJZBGBBJIUDCI-NSHDSACASA-N 0 0 382.205 2.360 10 0 GEAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccc(Br)cc1 ZINC000172213571 531939549 /nfs/dbraw/zinc/93/95/49/531939549.db2.gz TWPUJYNEPMXXHK-INIZCTEOSA-N 0 0 390.281 2.387 10 0 GEAERN CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N[C@H](C)[C@H]2CCCO2)s1 ZINC000093907570 531927672 /nfs/dbraw/zinc/92/76/72/531927672.db2.gz AOWILTVNCDQJAA-UKRRQHHQSA-N 0 0 388.555 2.299 10 0 GEAERN C[C@@H](NC(=O)NC[C@@](C)(O)c1cccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000172360917 531949846 /nfs/dbraw/zinc/94/98/46/531949846.db2.gz TYOZJSMMONSURW-SJKOYZFVSA-N 0 0 382.507 2.420 10 0 GEAERN O=C(c1n[nH]c2ccc(Br)cc21)N1CCC[C@H](Cn2cncn2)C1 ZINC000172398143 531950878 /nfs/dbraw/zinc/95/08/78/531950878.db2.gz ZOWODZDMTLAHJO-NSHDSACASA-N 0 0 389.257 2.469 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)CC2 ZINC000114875049 531957061 /nfs/dbraw/zinc/95/70/61/531957061.db2.gz FKKQQMWSKKLDJS-JTQLQIEISA-N 0 0 375.281 2.441 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccc(Br)cc1OC)CC2 ZINC000114871094 531957292 /nfs/dbraw/zinc/95/72/92/531957292.db2.gz OSWLABSUDMYCEG-LLVKDONJSA-N 0 0 379.258 2.356 10 0 GEAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)CC2 ZINC000114874428 531957413 /nfs/dbraw/zinc/95/74/13/531957413.db2.gz PKKCESAGUXFEJY-SECBINFHSA-N 0 0 375.281 2.441 10 0 GEAERN CCn1cc(Br)cc1C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000172521129 531955881 /nfs/dbraw/zinc/95/58/81/531955881.db2.gz DFPWXMCXKSVKMO-ZDUSSCGKSA-N 0 0 378.274 2.459 10 0 GEAERN O=C(c1cc2c(cccc2Br)[nH]1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172755915 531967304 /nfs/dbraw/zinc/96/73/04/531967304.db2.gz UARHWYORPCXRJI-GFCCVEGCSA-N 0 0 378.270 2.477 10 0 GEAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000119434764 531967527 /nfs/dbraw/zinc/96/75/27/531967527.db2.gz WPUBKZXOLUBHSC-NSHDSACASA-N 0 0 381.782 2.173 10 0 GEAERN CC(=O)Nc1cc(F)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c(F)c1Cl ZINC000172953321 531975523 /nfs/dbraw/zinc/97/55/23/531975523.db2.gz WOZIWBGOBSRRDW-HTQZYQBOSA-N 0 0 382.816 2.375 10 0 GEAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000173103739 531987862 /nfs/dbraw/zinc/98/78/62/531987862.db2.gz UUCCRAWDEPDXNR-SECBINFHSA-N 0 0 380.235 2.162 10 0 GEAERN O=C(Nc1cc(Br)c(F)cc1Cl)C(=O)N1CCC[C@H]1CO ZINC000120932706 532001453 /nfs/dbraw/zinc/00/14/53/532001453.db2.gz JTKSMZQCWSYUKW-ZETCQYMHSA-N 0 0 379.613 2.163 10 0 GEAERN Cc1noc([C@@H]2COCCN2C(=O)COc2ccccc2Br)n1 ZINC000121017351 532008315 /nfs/dbraw/zinc/00/83/15/532008315.db2.gz VRMXFBCZBUUOOZ-LBPRGKRZSA-N 0 0 382.214 2.119 10 0 GEAERN Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N1CCC[C@@H]1CO ZINC000121114152 532013350 /nfs/dbraw/zinc/01/33/50/532013350.db2.gz WVGYHLXJLXTHCT-SNVBAGLBSA-N 0 0 375.650 2.333 10 0 GEAERN Cc1cc(NC(=O)[C@H](C)N2CC[C@H](N3CCOCC3)C2)ccc1Br ZINC000173609203 532022501 /nfs/dbraw/zinc/02/25/01/532022501.db2.gz HUVLHCKNGWFKJZ-HOCLYGCPSA-N 0 0 396.329 2.491 10 0 GEAERN Cc1cc(NC(=O)[C@@H](C)N2CC[C@H](N3CCOCC3)C2)ccc1Br ZINC000173609191 532022947 /nfs/dbraw/zinc/02/29/47/532022947.db2.gz HUVLHCKNGWFKJZ-ZBFHGGJFSA-N 0 0 396.329 2.491 10 0 GEAERN O=S(=O)(NC[C@H]1CCCC[C@H]1O)c1cccc(I)c1 ZINC000121344469 532023957 /nfs/dbraw/zinc/02/39/57/532023957.db2.gz UEHCWMDHSGJBIH-ZWNOBZJWSA-N 0 0 395.262 2.121 10 0 GEAERN O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CC[C@@H](N2CCOCC2)C1 ZINC000173645364 532023900 /nfs/dbraw/zinc/02/39/00/532023900.db2.gz FDUBOOMTFHKURZ-GFCCVEGCSA-N 0 0 398.834 2.454 10 0 GEAERN O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CC[C@H](N2CCOCC2)C1 ZINC000173645349 532024784 /nfs/dbraw/zinc/02/47/84/532024784.db2.gz FDUBOOMTFHKURZ-LBPRGKRZSA-N 0 0 398.834 2.454 10 0 GEAERN CC(C)CCN(CCC(C)C)S(=O)(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173645962 532025084 /nfs/dbraw/zinc/02/50/84/532025084.db2.gz QYCYJCMDFAUEAJ-GOSISDBHSA-N 0 0 375.579 2.032 10 0 GEAERN Cc1nnc([C@@H]2CN(CC(=O)Nc3ccc(Br)cc3F)CCO2)[nH]1 ZINC000173713461 532028131 /nfs/dbraw/zinc/02/81/31/532028131.db2.gz RXPXNEXBVGMNAZ-ZDUSSCGKSA-N 0 0 398.236 2.027 10 0 GEAERN Cc1nc(CN2CCCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)no1 ZINC000173825210 532035153 /nfs/dbraw/zinc/03/51/53/532035153.db2.gz QWVXECNHDCHRHW-UHFFFAOYSA-N 0 0 388.852 2.067 10 0 GEAERN COCCN1CCN(C(=O)[C@@H](C)Oc2cccc(Br)c2)C[C@@H]1C ZINC000173806206 532035229 /nfs/dbraw/zinc/03/52/29/532035229.db2.gz LZCOUQRWDRKWCM-UONOGXRCSA-N 0 0 385.302 2.396 10 0 GEAERN CNc1cc(N2CCC[C@H]2CNS(=O)(=O)c2ccc(Cl)s2)ncn1 ZINC000173900495 532040588 /nfs/dbraw/zinc/04/05/88/532040588.db2.gz OBVTZKMKUIEDGF-JTQLQIEISA-N 0 0 387.918 2.181 10 0 GEAERN C[C@@H](O)CN1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)C[C@H]1C ZINC000174290511 532059226 /nfs/dbraw/zinc/05/92/26/532059226.db2.gz XMBROXJEXDGSIF-ZIAGYGMSSA-N 0 0 381.314 2.394 10 0 GEAERN O=C(NCCOc1ccc(Br)cc1)N1CCC[C@@H](n2cncn2)C1 ZINC000174411408 532064711 /nfs/dbraw/zinc/06/47/11/532064711.db2.gz FQOQIYMTQRLVNN-CQSZACIVSA-N 0 0 394.273 2.466 10 0 GEAERN NS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)cs1 ZINC000174874703 532083202 /nfs/dbraw/zinc/08/32/02/532083202.db2.gz MQJCLXJSRAIDTA-GJZGRUSLSA-N 0 0 380.491 2.124 10 0 GEAERN CS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nccs2)cc1 ZINC000175388005 532101295 /nfs/dbraw/zinc/10/12/95/532101295.db2.gz DPIFDKBISNWQCT-CQSZACIVSA-N 0 0 386.520 2.463 10 0 GEAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)cc1C(C)C ZINC000123497993 532100166 /nfs/dbraw/zinc/10/01/66/532100166.db2.gz VSSLUKQAUMQIIF-CQSZACIVSA-N 0 0 396.285 2.248 10 0 GEAERN CN(C[C@H](O)COCc1ccccc1)C(=O)c1cc(Br)cn1C ZINC000124416876 532120809 /nfs/dbraw/zinc/12/08/09/532120809.db2.gz YHORTKJDSJXMKM-HNNXBMFYSA-N 0 0 381.270 2.437 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc(Br)cc1F ZINC000176014072 532122895 /nfs/dbraw/zinc/12/28/95/532122895.db2.gz WRTXXKIROCBAII-GFCCVEGCSA-N 0 0 396.220 2.078 10 0 GEAERN C[C@@H]1CN(C(=O)NCc2nc(C(F)(F)F)cs2)C[C@@H]1N1CCOCC1 ZINC000175807160 532115856 /nfs/dbraw/zinc/11/58/56/532115856.db2.gz ALRCBWRXJYOUQW-MNOVXSKESA-N 0 0 378.420 2.024 10 0 GEAERN C[C@@H](CNC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl)N1CCOCC1 ZINC000125390451 532134706 /nfs/dbraw/zinc/13/47/06/532134706.db2.gz PNKAAZYZHWQHLT-SMDDNHRTSA-N 0 0 376.284 2.047 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)CCc3ccc(Br)cc3)CCO2)[nH]1 ZINC000176504610 532140210 /nfs/dbraw/zinc/14/02/10/532140210.db2.gz ZPMNLMSCFNZERP-AWEZNQCLSA-N 0 0 379.258 2.408 10 0 GEAERN Cc1ccc([C@H](CNC(=O)c2ccc(C(N)=O)s2)N2CCOCC2)s1 ZINC000176564121 532141427 /nfs/dbraw/zinc/14/14/27/532141427.db2.gz WFLGZUHXOQFKMV-LBPRGKRZSA-N 0 0 379.507 2.020 10 0 GEAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(Cl)nc1Cl ZINC000176677492 532145893 /nfs/dbraw/zinc/14/58/93/532145893.db2.gz CGLLGAUMYDRFAQ-MRVPVSSYSA-N 0 0 376.269 2.356 10 0 GEAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1cccn2c(I)cnc12 ZINC000177226015 532165804 /nfs/dbraw/zinc/16/58/04/532165804.db2.gz YXYCRZBRGVAOEX-NXEZZACHSA-N 0 0 385.205 2.188 10 0 GEAERN C[C@@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)c1ccc(F)cc1Cl ZINC000128743683 532168101 /nfs/dbraw/zinc/16/81/01/532168101.db2.gz PBVYJIOBIUJIDU-SECBINFHSA-N 0 0 392.861 2.166 10 0 GEAERN COc1ccc(CNC(=O)N[C@H]2CCCn3ncnc32)cc1Br ZINC000177332564 532168926 /nfs/dbraw/zinc/16/89/26/532168926.db2.gz WGAMZGKQGNQCHB-LBPRGKRZSA-N 0 0 380.246 2.384 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)Nc3ccc(Br)c(C)n3)CCO2)[nH]1 ZINC000128843326 532169847 /nfs/dbraw/zinc/16/98/47/532169847.db2.gz WQXVMGKAOBDHOG-NSHDSACASA-N 0 0 381.234 2.184 10 0 GEAERN COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000176950852 532156882 /nfs/dbraw/zinc/15/68/82/532156882.db2.gz BHSVSJADAXGHLS-ZYHUDNBSSA-N 0 0 385.258 2.388 10 0 GEAERN COc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000177050110 532160645 /nfs/dbraw/zinc/16/06/45/532160645.db2.gz PMXJYQQOPLOSAT-AAEUAGOBSA-N 0 0 399.285 2.372 10 0 GEAERN COC(=O)[C@@H]1CCCCN1C(=O)Cc1cccc(I)c1 ZINC000177812452 532183479 /nfs/dbraw/zinc/18/34/79/532183479.db2.gz IMRFYORMGLTXBB-ZDUSSCGKSA-N 0 0 387.217 2.388 10 0 GEAERN COCCNC(=O)Cn1cc(NC(=O)N[C@H](C)c2ccc(Cl)s2)cn1 ZINC000177493522 532173466 /nfs/dbraw/zinc/17/34/66/532173466.db2.gz GEDJGZFDJUOQPQ-SNVBAGLBSA-N 0 0 385.877 2.243 10 0 GEAERN Cc1cnn(C[C@@H]2CN(c3cc(Br)cc(F)c3C(N)=O)CCO2)c1 ZINC000129185178 532173801 /nfs/dbraw/zinc/17/38/01/532173801.db2.gz VRQVFMQXWLAFLN-LBPRGKRZSA-N 0 0 397.248 2.097 10 0 GEAERN Cc1cccc(C(=O)N[C@@H]2CCCn3ncnc32)c1I ZINC000177526917 532174815 /nfs/dbraw/zinc/17/48/15/532174815.db2.gz FLGZXUDIPBSLNP-LLVKDONJSA-N 0 0 382.205 2.456 10 0 GEAERN CNC(=O)[C@H](NC(=O)c1cnn(-c2cccc(Br)c2)c1)C(C)C ZINC000178675858 532208997 /nfs/dbraw/zinc/20/89/97/532208997.db2.gz JJZQWIGXSRQDJI-CQSZACIVSA-N 0 0 379.258 2.135 10 0 GEAERN C[C@@H](NC(=O)C(=O)Nc1ccc(CCS(C)(=O)=O)cc1)c1cccs1 ZINC000178922558 532217417 /nfs/dbraw/zinc/21/74/17/532217417.db2.gz OEPDKTFKHACIQV-GFCCVEGCSA-N 0 0 380.491 2.151 10 0 GEAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(C)C ZINC000179080307 532221291 /nfs/dbraw/zinc/22/12/91/532221291.db2.gz FGTCLVYIKVOFAJ-LLVKDONJSA-N 0 0 379.766 2.184 10 0 GEAERN CCc1nnc(CSc2nnc(-c3ccc(Br)cc3)n2N)n1C ZINC000179098952 532221473 /nfs/dbraw/zinc/22/14/73/532221473.db2.gz WPZPATFCBFWOPJ-UHFFFAOYSA-N 0 0 394.302 2.405 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCc1nc(C(F)(F)F)cs1 ZINC000179143245 532223826 /nfs/dbraw/zinc/22/38/26/532223826.db2.gz XLQNEFTUFMNADF-SECBINFHSA-N 0 0 386.417 2.409 10 0 GEAERN CC(=O)Nc1cc(C)c(S(=O)(=O)NCC(=O)C(C)C)cc1Br ZINC000133679603 532240859 /nfs/dbraw/zinc/24/08/59/532240859.db2.gz DZNLAEZFBUVBIS-UHFFFAOYSA-N 0 0 391.287 2.219 10 0 GEAERN Cc1ccc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c(Br)n1 ZINC000179892695 532248944 /nfs/dbraw/zinc/24/89/44/532248944.db2.gz GFDJAAXKRDIQOG-PXAZEXFGSA-N 0 0 396.285 2.245 10 0 GEAERN C[C@@H](NS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1)[C@H]1CCCO1 ZINC000179907907 532249745 /nfs/dbraw/zinc/24/97/45/532249745.db2.gz IHFGTYCMKHOLAJ-TZMCWYRMSA-N 0 0 388.555 2.299 10 0 GEAERN CCc1ccc(S(C)(=O)=O)cc1C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000133519218 532237806 /nfs/dbraw/zinc/23/78/06/532237806.db2.gz LNEKUKGAUSZMIE-HNNXBMFYSA-N 0 0 380.491 2.323 10 0 GEAERN CNC(=O)[C@H]1CCCN1C(=O)Nc1cccc(F)c1I ZINC000133518541 532238017 /nfs/dbraw/zinc/23/80/17/532238017.db2.gz NSOIQUDABZQOAV-SNVBAGLBSA-N 0 0 391.184 2.173 10 0 GEAERN CCn1c(-c2cccs2)nnc1S(=O)(=O)Cc1nnc(C2CC2)n1C ZINC000179618410 532239181 /nfs/dbraw/zinc/23/91/81/532239181.db2.gz SZOADOOCPBRGIQ-UHFFFAOYSA-N 0 0 378.483 2.006 10 0 GEAERN C[C@H](C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)Cc1nnc(C2CC2)n1C ZINC000180071758 532256096 /nfs/dbraw/zinc/25/60/96/532256096.db2.gz KZADNBSBCXGFSB-SNVBAGLBSA-N 0 0 382.873 2.288 10 0 GEAERN O=C(c1c[nH]c(=O)c(Br)c1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000180073883 532256363 /nfs/dbraw/zinc/25/63/63/532256363.db2.gz SWXMQCUSRLCGDS-IINYFYTJSA-N 0 0 399.191 2.364 10 0 GEAERN C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1N1CCOCC1 ZINC000180249500 532262955 /nfs/dbraw/zinc/26/29/55/532262955.db2.gz IPTVCIFWYVWFTE-XHDPSFHLSA-N 0 0 386.279 2.111 10 0 GEAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)C[C@@H]1N1CCOCC1 ZINC000180257479 532263747 /nfs/dbraw/zinc/26/37/47/532263747.db2.gz XPZALVKUHYZTAY-ABAIWWIYSA-N 0 0 386.279 2.111 10 0 GEAERN CC[C@H](O)CN1CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)CC1 ZINC000180303532 532266364 /nfs/dbraw/zinc/26/63/64/532266364.db2.gz LXTOJKXMXLGMEA-NSHDSACASA-N 0 0 397.324 2.079 10 0 GEAERN Cn1cc([C@H]2CCN(S(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)C2)cn1 ZINC000180306780 532267307 /nfs/dbraw/zinc/26/73/07/532267307.db2.gz UGTLUIYUWLJOER-ZETCQYMHSA-N 0 0 381.326 2.294 10 0 GEAERN O=C(NCCOc1ccc(Br)cc1C(F)(F)F)[C@@H]1CNC(=O)C1 ZINC000135562280 532275535 /nfs/dbraw/zinc/27/55/35/532275535.db2.gz UVVIDCYJXOOJPI-QMMMGPOBSA-N 0 0 395.175 2.099 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Br)nc1C ZINC000180671486 532277929 /nfs/dbraw/zinc/27/79/29/532277929.db2.gz PYSILRFRRUBUSB-GFCCVEGCSA-N 0 0 390.303 2.295 10 0 GEAERN CN(C(=O)c1cccnc1Br)[C@@H]1CCCN(c2cccnn2)C1 ZINC000135695976 532278729 /nfs/dbraw/zinc/27/87/29/532278729.db2.gz UGFQNIRWCIRILZ-GFCCVEGCSA-N 0 0 376.258 2.375 10 0 GEAERN CC(C)[C@@H](C)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 ZINC000135800829 532280029 /nfs/dbraw/zinc/28/00/29/532280029.db2.gz PDTFLZKPJGMKBE-DOMZBBRYSA-N 0 0 388.917 2.034 10 0 GEAERN COc1cc(C(=O)N2CC[C@@H](N3CCOCC3)C2)sc1Br ZINC000136089056 532282020 /nfs/dbraw/zinc/28/20/20/532282020.db2.gz HLNUORNTMDGABT-SNVBAGLBSA-N 0 0 375.288 2.066 10 0 GEAERN CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000180976378 532287466 /nfs/dbraw/zinc/28/74/66/532287466.db2.gz HGWFUENTOZVBQR-ZDUSSCGKSA-N 0 0 382.873 2.235 10 0 GEAERN CCn1ccnc1CS(=O)(=O)Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000181261916 532294251 /nfs/dbraw/zinc/29/42/51/532294251.db2.gz WOKMIDBFTJEKQG-UHFFFAOYSA-N 0 0 383.836 2.391 10 0 GEAERN CN(C)C(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2c2nccs2)cn1C ZINC000181343966 532295746 /nfs/dbraw/zinc/29/57/46/532295746.db2.gz JBYBPHAONDCXBW-CYBMUJFWSA-N 0 0 382.511 2.099 10 0 GEAERN CC(C)c1nnc2n1C[C@H](NC(=O)Nc1nnc(C(F)(F)F)s1)CC2 ZINC000181378942 532297278 /nfs/dbraw/zinc/29/72/78/532297278.db2.gz XSJLMEDMMZHQML-SSDOTTSWSA-N 0 0 375.380 2.408 10 0 GEAERN CC(C)c1nnc(CS(=O)(=O)CC(=O)Nc2ccc(F)cc2Cl)n1C ZINC000182386642 532312487 /nfs/dbraw/zinc/31/24/87/532312487.db2.gz LRGZADRMWBQAMO-UHFFFAOYSA-N 0 0 388.852 2.285 10 0 GEAERN CC(C)c1nnc(CS(=O)(=O)CC(=O)Nc2cc(Cl)ccc2F)n1C ZINC000182386591 532312492 /nfs/dbraw/zinc/31/24/92/532312492.db2.gz CPBKQAITNDXBMK-UHFFFAOYSA-N 0 0 388.852 2.285 10 0 GEAERN COC(=O)c1cc(NC(=O)N[C@@H]2CCCn3ncnc32)ccc1Br ZINC000182641808 532316173 /nfs/dbraw/zinc/31/61/73/532316173.db2.gz BMYXXAKYRNNPAI-GFCCVEGCSA-N 0 0 394.229 2.484 10 0 GEAERN COC(=O)c1ccc(=O)n(CCCc2ccc(Br)cc2OC)n1 ZINC000182932271 532319610 /nfs/dbraw/zinc/31/96/10/532319610.db2.gz BYRGAPCAMVBMAR-UHFFFAOYSA-N 0 0 381.226 2.434 10 0 GEAERN CSc1ccc(S(=O)(=O)N2CCO[C@H](Cn3cccn3)C2)cc1Cl ZINC000185624142 532338187 /nfs/dbraw/zinc/33/81/87/532338187.db2.gz MTUODIGPCMNETH-GFCCVEGCSA-N 0 0 387.914 2.348 10 0 GEAERN C[C@@H](NC(=O)NCC1CN(S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000185992509 532339490 /nfs/dbraw/zinc/33/94/90/532339490.db2.gz CIKXHKYLRAZXBU-SECBINFHSA-N 0 0 380.297 2.245 10 0 GEAERN CN(C)C[C@@H](NS(=O)(=O)c1cnn(CC(F)(F)F)c1)c1ccccc1 ZINC000186148946 532339937 /nfs/dbraw/zinc/33/99/37/532339937.db2.gz VKEBNZSGTDEOKJ-CQSZACIVSA-N 0 0 376.404 2.027 10 0 GEAERN COc1ccc([C@@H](C)NS(=O)(=O)c2cnn(CC(F)F)c2)cc1OC ZINC000186509889 532341059 /nfs/dbraw/zinc/34/10/59/532341059.db2.gz OKYWBUUZSRLXOT-SNVBAGLBSA-N 0 0 375.397 2.205 10 0 GEAERN C[N@H+](CC(=O)[O-])C1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000186625192 532341567 /nfs/dbraw/zinc/34/15/67/532341567.db2.gz RFDVNBQXPGHOKM-UHFFFAOYSA-N 0 0 375.252 2.380 10 0 GEAERN O=C(CCc1cc(F)ccc1Br)N1CC[C@@H](N2CCOCC2)C1 ZINC000184342675 532332264 /nfs/dbraw/zinc/33/22/64/532332264.db2.gz QOZZPYWDWTYLOA-OAHLLOKOSA-N 0 0 385.277 2.454 10 0 GEAERN CC(C)[C@H](NS(=O)(=O)c1ccc2cc(Br)ccc2c1)C(N)=O ZINC000184509292 532333301 /nfs/dbraw/zinc/33/33/01/532333301.db2.gz VRUQCVDDEBWSMI-AWEZNQCLSA-N 0 0 385.283 2.391 10 0 GEAERN CC[C@@H](O)CN1CCN(C(=O)N[C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000184878223 532335497 /nfs/dbraw/zinc/33/54/97/532335497.db2.gz KCSGBJLHBJSGLU-RHSMWYFYSA-N 0 0 398.345 2.478 10 0 GEAERN CC[C@@H](O)CN1CCN(C(=O)NCc2ccc(F)cc2Br)CC1 ZINC000184944883 532336204 /nfs/dbraw/zinc/33/62/04/532336204.db2.gz MVYRJQMZAAGKFG-CQSZACIVSA-N 0 0 388.281 2.186 10 0 GEAERN CC[C@@H](O)CN1CCN(C(=O)NCc2sccc2Br)CC1 ZINC000184984487 532336332 /nfs/dbraw/zinc/33/63/32/532336332.db2.gz NHWCAGOZJLYFMD-LLVKDONJSA-N 0 0 376.320 2.109 10 0 GEAERN COc1nc(C)c(Br)cc1C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000188169688 532346984 /nfs/dbraw/zinc/34/69/84/532346984.db2.gz RBBFUGOATNGCLY-GFCCVEGCSA-N 0 0 394.273 2.305 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)Cc3ccc(C)c(Br)c3)CCO2)[nH]1 ZINC000188199755 532347338 /nfs/dbraw/zinc/34/73/38/532347338.db2.gz XAEKZWCOXWFNCB-AWEZNQCLSA-N 0 0 379.258 2.327 10 0 GEAERN COCCN1CCN(C(=O)c2cc(Br)ncc2Cl)C[C@H]1C ZINC000188875910 532349984 /nfs/dbraw/zinc/34/99/84/532349984.db2.gz PIQVKDOEJDFUPK-SNVBAGLBSA-N 0 0 376.682 2.290 10 0 GEAERN CCOCCN1CCN(C(=O)c2nc(Br)cs2)C[C@@H]1CC ZINC000188874964 532350047 /nfs/dbraw/zinc/35/00/47/532350047.db2.gz IYAGQLJRYNBTLV-NSHDSACASA-N 0 0 376.320 2.479 10 0 GEAERN CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2ccc(Cl)nc2Cl)C1 ZINC000189188278 532351303 /nfs/dbraw/zinc/35/13/03/532351303.db2.gz HJJRCMGYQYHDND-DTWKUNHWSA-N 0 0 393.252 2.231 10 0 GEAERN CCn1cc([C@H]2CN(S(=O)(=O)c3cc(OC)ccc3Cl)CCO2)cn1 ZINC000189227700 532351367 /nfs/dbraw/zinc/35/13/67/532351367.db2.gz CSPHGMNNZHMCFH-OAHLLOKOSA-N 0 0 385.873 2.327 10 0 GEAERN CCn1cc([C@@H]2CN(S(=O)(=O)c3c(F)cc(F)cc3F)CCO2)cn1 ZINC000189222358 532351426 /nfs/dbraw/zinc/35/14/26/532351426.db2.gz VANITMCUUNSFFQ-AWEZNQCLSA-N 0 0 375.372 2.083 10 0 GEAERN CCCN1CCCN(C[C@H](O)COc2cccc(Br)c2)CC1=O ZINC000189399802 532352120 /nfs/dbraw/zinc/35/21/20/532352120.db2.gz YDZHGVHWBHXVBQ-HNNXBMFYSA-N 0 0 385.302 2.133 10 0 GEAERN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000189443726 532352259 /nfs/dbraw/zinc/35/22/59/532352259.db2.gz ICAGKZGGDFPRAD-LLVKDONJSA-N 0 0 393.281 2.395 10 0 GEAERN CC(C)c1cc(Br)ccc1NC(=O)C(=O)N[C@H](C(N)=O)C(C)C ZINC000189541363 532352608 /nfs/dbraw/zinc/35/26/08/532352608.db2.gz FZCGOTWHGMDKKC-ZDUSSCGKSA-N 0 0 384.274 2.137 10 0 GEAERN CC[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)CCN1CCOC ZINC000189631321 532353035 /nfs/dbraw/zinc/35/30/35/532353035.db2.gz ISJAKYKCXKFBFW-AWEZNQCLSA-N 0 0 378.897 2.352 10 0 GEAERN CCN(C[C@H](O)C(F)(F)F)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000190082195 532354729 /nfs/dbraw/zinc/35/47/29/532354729.db2.gz ROKQBVLHPVTOBF-MFKMUULPSA-N 0 0 382.404 2.106 10 0 GEAERN C[C@@H]1CCN(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)CCS1(=O)=O ZINC000190584414 532356900 /nfs/dbraw/zinc/35/69/00/532356900.db2.gz LONJHCDXFKFVRM-OCCSQVGLSA-N 0 0 378.416 2.379 10 0 GEAERN COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000190588846 532356999 /nfs/dbraw/zinc/35/69/99/532356999.db2.gz QYQNIINJUBJUQL-MRVPVSSYSA-N 0 0 377.199 2.483 10 0 GEAERN O=C(Nc1cc(Br)c(F)cc1F)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000190872829 532358450 /nfs/dbraw/zinc/35/84/50/532358450.db2.gz COSUUICGOBEZCV-QPUJVOFHSA-N 0 0 391.212 2.333 10 0 GEAERN C[C@H](NC(=O)C(=O)Nc1cc(F)cc(F)c1Br)[C@H]1CCCO1 ZINC000191128983 532359633 /nfs/dbraw/zinc/35/96/33/532359633.db2.gz MSDPJEVQNGKGGW-WRWORJQWSA-N 0 0 377.185 2.350 10 0 GEAERN CC[C@@H](O)CN1CCN(C(=O)NCc2cc(Br)ccc2C)CC1 ZINC000187614663 532344994 /nfs/dbraw/zinc/34/49/94/532344994.db2.gz BLUJAJUFFQVOQQ-MRXNPFEDSA-N 0 0 384.318 2.356 10 0 GEAERN CS(=O)(=O)Cc1ccc(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000187682348 532345112 /nfs/dbraw/zinc/34/51/12/532345112.db2.gz ZMSJCRRBDNALGB-IRXDYDNUSA-N 0 0 379.503 2.141 10 0 GEAERN COC(=O)[C@@]1(C)CCCN1C(=O)Cc1ccccc1I ZINC000187678890 532345129 /nfs/dbraw/zinc/34/51/29/532345129.db2.gz FHZGLTQDBOFHIZ-OAHLLOKOSA-N 0 0 387.217 2.388 10 0 GEAERN CCC[C@H](C)CS(=O)(=O)N1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000192149857 532388597 /nfs/dbraw/zinc/38/85/97/532388597.db2.gz FPPFQNMPWCMFKJ-HNNXBMFYSA-N 0 0 376.563 2.490 10 0 GEAERN COc1cc(Br)ccc1C(=O)N1CCC[C@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000192144803 532389218 /nfs/dbraw/zinc/38/92/18/532389218.db2.gz VWSGWKGYEAXQKR-ZDUSSCGKSA-N 0 0 399.285 2.469 10 0 GEAERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000192185967 532392595 /nfs/dbraw/zinc/39/25/95/532392595.db2.gz QSCHFPGWNOIIRT-GFCCVEGCSA-N 0 0 395.706 2.344 10 0 GEAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000192188335 532393695 /nfs/dbraw/zinc/39/36/95/532393695.db2.gz PZNUZIWSPJMNNH-JTQLQIEISA-N 0 0 395.706 2.392 10 0 GEAERN C[C@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000282541922 532475719 /nfs/dbraw/zinc/47/57/19/532475719.db2.gz NEDFOPUVWSLBGC-RDDDGLTNSA-N 0 0 381.679 2.048 10 0 GEAERN C[C@@H]1CN(CC(=O)Nc2ccccc2Br)C[C@H]1N1CCOCC1 ZINC000246571053 532540260 /nfs/dbraw/zinc/54/02/60/532540260.db2.gz VOBZBHATKGDGGO-CZUORRHYSA-N 0 0 382.302 2.040 10 0 GEAERN CC[S@](=O)[C@H]1CCC[C@@H](NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)C1 ZINC000246552356 532541543 /nfs/dbraw/zinc/54/15/43/532541543.db2.gz GSMKADCHVGREBZ-VYEJHECXSA-N 0 0 389.583 2.381 10 0 GEAERN CC[C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)CCN1C[C@H](C)O ZINC000246888846 532544247 /nfs/dbraw/zinc/54/42/47/532544247.db2.gz DZGZMOQLWFQPIQ-RYUDHWBXSA-N 0 0 388.295 2.236 10 0 GEAERN C[C@H](O)C[N@@H+]1CCN(Cc2cc3c(cc2Br)OCCCO3)C[C@H]1C ZINC000245558915 532521999 /nfs/dbraw/zinc/52/19/99/532521999.db2.gz HIGVXASULHALCY-KGLIPLIRSA-N 0 0 399.329 2.497 10 0 GEAERN C[C@H](C(=O)Nc1cccc(Br)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000246168468 532531730 /nfs/dbraw/zinc/53/17/30/532531730.db2.gz JCBXIPCYEAAIJH-CZUORRHYSA-N 0 0 382.302 2.183 10 0 GEAERN O[C@H](COc1cccc(Br)c1)CN1CCO[C@H]([C@H]2CCCO2)C1 ZINC000246224378 532534233 /nfs/dbraw/zinc/53/42/33/532534233.db2.gz LVSBIJHEIPKXMR-UAGQMJEPSA-N 0 0 386.286 2.069 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)C[C@H]1C ZINC000247245933 532546744 /nfs/dbraw/zinc/54/67/44/532546744.db2.gz XHKDSKCQDLDTDT-CYBMUJFWSA-N 0 0 380.432 2.437 10 0 GEAERN NCc1nc(CN2CCC(C(=O)Nc3ccc(Br)cc3)CC2)no1 ZINC000262188750 532586930 /nfs/dbraw/zinc/58/69/30/532586930.db2.gz JMDAISNQHHGVSI-UHFFFAOYSA-N 0 0 394.273 2.142 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CCc2ccc(Br)cc2)C1 ZINC000262708921 532598543 /nfs/dbraw/zinc/59/85/43/532598543.db2.gz KTWCMLNAPUOCRK-UHFFFAOYSA-N 0 0 383.286 2.435 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NCc2cc(Br)cs2)C1 ZINC000262986814 532609851 /nfs/dbraw/zinc/60/98/51/532609851.db2.gz LLXTWIGNTJHRPA-UHFFFAOYSA-N 0 0 390.303 2.247 10 0 GEAERN O=C([C@H]1CC(F)(F)CN1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000263031760 532610798 /nfs/dbraw/zinc/61/07/98/532610798.db2.gz SAJOCNWGWRWHQL-CHWSQXEVSA-N 0 0 375.213 2.346 10 0 GEAERN O=C([C@@H]1CC(F)(F)CN1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000263010719 532611461 /nfs/dbraw/zinc/61/14/61/532611461.db2.gz PRWMUPSZPVCMKU-STQMWFEESA-N 0 0 375.213 2.346 10 0 GEAERN CSc1ccc(NC(=O)N2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)cc1Cl ZINC000263038794 532612092 /nfs/dbraw/zinc/61/20/92/532612092.db2.gz LMBJTZWXPZBSSM-LBPRGKRZSA-N 0 0 387.889 2.311 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NCc2cccc(Cl)c2S(=O)(=O)CC)C1 ZINC000263510769 532628614 /nfs/dbraw/zinc/62/86/14/532628614.db2.gz NIDAARQRDFKNLY-UHFFFAOYSA-N 0 0 388.917 2.161 10 0 GEAERN CC(C)n1cc(C[C@@H]2NC(=O)N(Cc3ncc(Cl)cc3Cl)C2=O)nn1 ZINC000328612595 532793626 /nfs/dbraw/zinc/79/36/26/532793626.db2.gz PIWPEEKZCXDKCK-LBPRGKRZSA-N 0 0 383.239 2.428 10 0 GEAERN CC(C)N(C)c1cnn([C@@H]2CCCN(C(=O)c3noc4c3CCCC4)C2)c(=O)c1 ZINC000328606249 203760013 /nfs/dbraw/zinc/76/00/13/203760013.db2.gz QVBGPPVCJGLEKA-OAHLLOKOSA-N 0 0 399.495 2.432 10 0 GEAERN CC[C@@]1(O)C(=O)OCc2c(=O)n(C)c(-c3ccccc3)c(Br)c21 ZINC000005179727 203825750 /nfs/dbraw/zinc/82/57/50/203825750.db2.gz IFPJMORSZTYHSE-KRWDZBQOSA-N 0 0 378.222 2.469 10 0 GEAERN CCn1c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2n(CC)c(=O)c1=O ZINC000004884309 204087237 /nfs/dbraw/zinc/08/72/37/204087237.db2.gz OQUYHKUBCVZYAL-UHFFFAOYSA-N 0 0 387.461 2.312 10 0 GEAERN CCOc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccccc3)c2N)cc1 ZINC000004971853 204098277 /nfs/dbraw/zinc/09/82/77/204098277.db2.gz BGMKYEVUELFLIV-UHFFFAOYSA-N 0 0 380.408 2.150 10 0 GEAERN CC(C)CCn1c2nnc(CSc3nc(N)n[nH]3)n2c2ccccc2c1=O ZINC000005939778 204158753 /nfs/dbraw/zinc/15/87/53/204158753.db2.gz NFJMXGYVXFBJGG-UHFFFAOYSA-N 0 0 384.469 2.083 10 0 GEAERN Cc1ccc(/C=C\C(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000006431301 204178235 /nfs/dbraw/zinc/17/82/35/204178235.db2.gz VBDSVFFQSAZOGO-WDZFZDKYSA-N 0 0 375.475 2.169 10 0 GEAERN CCc1ccccc1-n1c(=O)c2ccccc2n(CC(=O)N2CCCC2)c1=O ZINC000006766470 204201897 /nfs/dbraw/zinc/20/18/97/204201897.db2.gz UWAKIATVEAFCAM-UHFFFAOYSA-N 0 0 377.444 2.337 10 0 GEAERN CCCNC(=O)NC[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)NCCC ZINC000006764705 204202693 /nfs/dbraw/zinc/20/26/93/204202693.db2.gz ZFQXMCJIJKTAAO-INIZCTEOSA-N 0 0 392.500 2.432 10 0 GEAERN C[C@@H](CNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCCCC2)C1)c1ccccc1 ZINC000006894371 204221448 /nfs/dbraw/zinc/22/14/48/204221448.db2.gz CZGDNPZAUCEFNI-PKOBYXMFSA-N 0 0 393.553 2.349 10 0 GEAERN COc1cccc([C@H]2CN(C(=O)C3CCCC3)C[C@H]2C(=O)N2CCOCC2)c1 ZINC000036045903 204301789 /nfs/dbraw/zinc/30/17/89/204301789.db2.gz OCVRYRRCILYJSO-WOJBJXKFSA-N 0 0 386.492 2.286 10 0 GEAERN COc1cccc([C@@H]2CN(C(=O)C3CCCC3)C[C@H]2C(=O)N2CCOCC2)c1 ZINC000036045902 204302058 /nfs/dbraw/zinc/30/20/58/204302058.db2.gz OCVRYRRCILYJSO-VQTJNVASSA-N 0 0 386.492 2.286 10 0 GEAERN CCOC(=O)[C@@H]1[C@@H](c2ccccc2)N(C)C(=S)N(C)[C@]1(O)C(F)(F)F ZINC000009114644 204299229 /nfs/dbraw/zinc/29/92/29/204299229.db2.gz UNXHPVKAEYFOQT-YWPYICTPSA-N 0 0 376.400 2.320 10 0 GEAERN O=C(N[C@H]1CCCCNC1=O)c1cc(COc2ccc(F)cc2Cl)on1 ZINC000011842793 204358150 /nfs/dbraw/zinc/35/81/50/204358150.db2.gz VORIZNFDBJQNRB-ZDUSSCGKSA-N 0 0 381.791 2.445 10 0 GEAERN CCn1nc(C(=O)N2CCCC2)c2c1CCN(C(=O)CCOc1ccccc1)C2 ZINC000014742040 204540144 /nfs/dbraw/zinc/54/01/44/204540144.db2.gz HFFQWNVIJSDAPE-UHFFFAOYSA-N 0 0 396.491 2.493 10 0 GEAERN COc1cccc(C(c2c(O)cc(C)n(C)c2=O)c2c(O)cc(C)n(C)c2=O)c1 ZINC000016266897 204592079 /nfs/dbraw/zinc/59/20/79/204592079.db2.gz KOWIJFCGSQIBRM-UHFFFAOYSA-N 0 0 396.443 2.301 10 0 GEAERN COc1ccc(CN2C[C@H](C(=O)N3CCNc4ccccc4C3)CC2=O)cc1 ZINC000020861465 204741783 /nfs/dbraw/zinc/74/17/83/204741783.db2.gz QQDYBQPZQYXUHJ-GOSISDBHSA-N 0 0 379.460 2.498 10 0 GEAERN CCS(=O)(=O)Nc1cc(C(=O)[O-])ccc1N1CCC[C@@H](C[NH+]2CCCC2)C1 ZINC000033254098 204950608 /nfs/dbraw/zinc/95/06/08/204950608.db2.gz BRPGUCVDLOKOHL-HNNXBMFYSA-N 0 0 395.525 2.459 10 0 GEAERN Cc1ccccc1-c1cc2n(n1)CCC(=O)N2CC(=O)NCc1cccnc1 ZINC000035374559 204985420 /nfs/dbraw/zinc/98/54/20/204985420.db2.gz SWOPOJHBTSZRSK-UHFFFAOYSA-N 0 0 375.432 2.307 10 0 GEAERN COc1cccc(-c2cc(C(=O)N3CCC[C@@H]3C(=O)NC[C@H]3CCCO3)no2)c1 ZINC000036002577 205000952 /nfs/dbraw/zinc/00/09/52/205000952.db2.gz XURCJMQSVHSGTO-SJLPKXTDSA-N 0 0 399.447 2.250 10 0 GEAERN CCCNC(=O)[C@H](NC(=O)CC(C)C)C1CCN(C(=O)c2ccco2)CC1 ZINC000036347004 205012539 /nfs/dbraw/zinc/01/25/39/205012539.db2.gz JQTZSYDVWQNZIM-GOSISDBHSA-N 0 0 377.485 2.189 10 0 GEAERN O=C1N(C2CCCCC2)C[C@H]2CN(S(=O)(=O)c3ccc(F)cc3)CCN12 ZINC000077266354 205035638 /nfs/dbraw/zinc/03/56/38/205035638.db2.gz WVZSFPIGKVHCRJ-MRXNPFEDSA-N 0 0 381.473 2.269 10 0 GEAERN CS(=O)(=O)N1CCC[C@H]1c1nnc(C(=O)Nc2ccc(F)c(F)c2)s1 ZINC000064941269 205202515 /nfs/dbraw/zinc/20/25/15/205202515.db2.gz REOAUXCPGSCLTA-NSHDSACASA-N 0 0 388.421 2.165 10 0 GEAERN Cc1nc(S(=O)(=O)NCCc2cn(CC(C)C)c3ncccc23)cn1C ZINC000065163302 205214378 /nfs/dbraw/zinc/21/43/78/205214378.db2.gz DYPHYYIZAFQQCI-UHFFFAOYSA-N 0 0 375.498 2.255 10 0 GEAERN CC(=O)N1CCc2cc(N3C[C@@H](C(=O)N[C@@H](C)c4cccnc4)CC3=O)ccc21 ZINC000065195296 205216704 /nfs/dbraw/zinc/21/67/04/205216704.db2.gz KQXWCSURFYPUIC-KSSFIOAISA-N 0 0 392.459 2.221 10 0 GEAERN Cc1cccc(-c2nc3cnccn3c2NCCC(=O)N2CCN(C)CC2)c1 ZINC000064758783 205193826 /nfs/dbraw/zinc/19/38/26/205193826.db2.gz JNTUPCDHQVNEEQ-UHFFFAOYSA-N 0 0 378.480 2.281 10 0 GEAERN O=C([C@H]1CN(S(=O)(=O)c2ccccc2)CC12CCCCC2)N1CCOCC1 ZINC000065259732 205225094 /nfs/dbraw/zinc/22/50/94/205225094.db2.gz NRZWFCZKHLJYLD-GOSISDBHSA-N 0 0 392.521 2.116 10 0 GEAERN Cc1ccc(-c2ccc(C(=O)N(CCO)[C@]3(C)CCS(=O)(=O)C3)cc2)o1 ZINC000065397068 205233889 /nfs/dbraw/zinc/23/38/89/205233889.db2.gz VJCHLGZDKVPCOI-LJQANCHMSA-N 0 0 377.462 2.267 10 0 GEAERN O=C1[C@H](NS(=O)(=O)Cc2cc(F)cc(F)c2)CCN1c1ccc(F)cc1 ZINC000065229282 205220820 /nfs/dbraw/zinc/22/08/20/205220820.db2.gz HKPPDBNYZFAKRQ-MRXNPFEDSA-N 0 0 384.379 2.329 10 0 GEAERN O=C1[C@@H](NS(=O)(=O)Cc2cc(F)cc(F)c2)CCN1c1ccc(F)cc1 ZINC000065229280 205221401 /nfs/dbraw/zinc/22/14/01/205221401.db2.gz HKPPDBNYZFAKRQ-INIZCTEOSA-N 0 0 384.379 2.329 10 0 GEAERN CCCN(Cc1ccco1)S(=O)(=O)c1sc2c(c1C(=O)[O-])CC[NH2+]C2 ZINC000067821099 205262576 /nfs/dbraw/zinc/26/25/76/205262576.db2.gz RHHIINKTAZHBBA-UHFFFAOYSA-N 0 0 384.479 2.286 10 0 GEAERN [NH3+][C@@H]1CCN(CC(=O)[O-])[C@@H](C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000071791633 205296922 /nfs/dbraw/zinc/29/69/22/205296922.db2.gz DDSISWRPJLDURD-JLTOFOAXSA-N 0 0 380.444 2.218 10 0 GEAERN O=C([O-])CCc1cc2n(n1)CCN(C(=O)c1ccc(C[NH+]3CCCC3)cc1)C2 ZINC000072436172 205350212 /nfs/dbraw/zinc/35/02/12/205350212.db2.gz NZFRMZLARROZQW-UHFFFAOYSA-N 0 0 382.464 2.152 10 0 GEAERN Cc1nn(Cn2ccc(C(=O)Nc3nccc(C)n3)n2)c(C)c1Br ZINC000027973670 206024169 /nfs/dbraw/zinc/02/41/69/206024169.db2.gz PYYMDBVURHMOCT-UHFFFAOYSA-N 0 0 390.245 2.315 10 0 GEAERN Cc1cc(OCn2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)n2)cc(C)c1Cl ZINC000027972824 206024606 /nfs/dbraw/zinc/02/46/06/206024606.db2.gz PGPVTHHPPQLZKV-ZDUSSCGKSA-N 0 0 397.884 2.107 10 0 GEAERN Cc1cc(C)n(CCCNC(=O)c2ccn(Cn3nc(C)c(Cl)c3C)n2)n1 ZINC000028234370 206035117 /nfs/dbraw/zinc/03/51/17/206035117.db2.gz JNYLCDHKHHSDBN-UHFFFAOYSA-N 0 0 389.891 2.489 10 0 GEAERN CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CC(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC000253561685 206149786 /nfs/dbraw/zinc/14/97/86/206149786.db2.gz CJRHYFONWMDYMT-OAHLLOKOSA-N 0 0 377.441 2.312 10 0 GEAERN CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@H]1OC(=O)c1ccccc1 ZINC000256008802 206151542 /nfs/dbraw/zinc/15/15/42/206151542.db2.gz WHKUKOCUXSRSAR-LRXQYKGQSA-N 0 0 386.400 2.058 10 0 GEAERN COCc1nn2c(nc(COC(=O)COc3ccc(Cl)cc3)cc2=O)s1 ZINC000041077325 206195579 /nfs/dbraw/zinc/19/55/79/206195579.db2.gz IWLUGOLOVFUTLX-UHFFFAOYSA-N 0 0 395.824 2.073 10 0 GEAERN COC(=O)[C@@H](CCSC)NC(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000098037997 206225950 /nfs/dbraw/zinc/22/59/50/206225950.db2.gz OURAUUZYNNRDMT-CQSZACIVSA-N 0 0 382.482 2.066 10 0 GEAERN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(I)cc1 ZINC000005315371 206216076 /nfs/dbraw/zinc/21/60/76/206216076.db2.gz MYWMGFJDXJBRAZ-GFCCVEGCSA-N 0 0 386.189 2.482 10 0 GEAERN O=C(c1cnn2c1ncc1c2CCCC1=O)N1CCN(c2ccccc2)CC1 ZINC000064987349 136158426 /nfs/dbraw/zinc/15/84/26/136158426.db2.gz WIQYMBVYNWXMIG-UHFFFAOYSA-N 0 0 375.432 2.211 10 0 GEAERN O=C(Nc1ccc(CN2CCOCC2)cn1)c1ccc(N2CCC(O)CC2)cc1 ZINC000095976318 136182981 /nfs/dbraw/zinc/18/29/81/136182981.db2.gz QCNLESDVAGCPMS-UHFFFAOYSA-N 0 0 396.491 2.127 10 0 GEAERN CCOc1ccccc1CNC(=O)[C@@H]1CCc2nc(N3CCOCC3)ncc2C1 ZINC000096310448 136186387 /nfs/dbraw/zinc/18/63/87/136186387.db2.gz BTZIDLSSACRICD-MRXNPFEDSA-N 0 0 396.491 2.133 10 0 GEAERN COCc1cc(N2CC[NH+](CC(=O)[O-])CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000073685769 522928908 /nfs/dbraw/zinc/92/89/08/522928908.db2.gz UPHWLTNACDJZIH-UHFFFAOYSA-N 0 0 376.844 2.150 10 0 GEAERN CCN(C)c1ccnc(N2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)n1 ZINC000095365433 535765669 /nfs/dbraw/zinc/76/56/69/535765669.db2.gz HVCUGODJQXUGMT-QGZVFWFLSA-N 0 0 387.528 2.321 10 0 GEAERN CCN(C)c1ccnc(N2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)n1 ZINC000095365432 535765715 /nfs/dbraw/zinc/76/57/15/535765715.db2.gz HVCUGODJQXUGMT-KRWDZBQOSA-N 0 0 387.528 2.321 10 0 GEAERN O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-c2cn[nH]c2)nc2cc(Cl)ccc21 ZINC000019811114 570221141 /nfs/dbraw/zinc/22/11/41/570221141.db2.gz AZKMXBYZMLMRFV-GFCCVEGCSA-N 0 0 390.852 2.195 10 0 GEAERN CC(=O)c1ccc(OCC(=O)N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000098096484 570263279 /nfs/dbraw/zinc/26/32/79/570263279.db2.gz IVCBEGUKHKRFIK-QGZVFWFLSA-N 0 0 392.452 2.020 10 0 GEAERN Cc1nn(CCC(=O)Nc2ccccc2F)c(C)c1S(=O)(=O)N1CCCC1 ZINC000021028719 570273332 /nfs/dbraw/zinc/27/33/32/570273332.db2.gz JJPCNVJGOOWLJN-UHFFFAOYSA-N 0 0 394.472 2.452 10 0 GEAERN Cc1ccc(S(=O)(=O)N[C@@H](C)CN(CCCO)C(=O)OC(C)(C)C)cc1 ZINC000022053480 570303242 /nfs/dbraw/zinc/30/32/42/570303242.db2.gz COKHOFQISYMIEJ-HNNXBMFYSA-N 0 0 386.514 2.281 10 0 in-vitro GEAERN COCCNC(=O)[C@@H]1C[C@@H](c2ccc(F)c(C)c2)CN(C(=O)NC(C)C)C1 ZINC000034716237 570319525 /nfs/dbraw/zinc/31/95/25/570319525.db2.gz RZCUDYUXCVXBHT-IAGOWNOFSA-N 0 0 379.476 2.420 10 0 GEAERN Cc1ccc2[nH]c([C@@H](NC(=O)C[C@H]3C(=O)NCCN3C(C)C)C(C)C)nc2c1 ZINC000019641686 570536357 /nfs/dbraw/zinc/53/63/57/570536357.db2.gz BIXZSFOLKUYJHB-HKUYNNGSSA-N 0 0 385.512 2.284 10 0 GEAERN O=C(CC1CCN(C(=O)C2CCCCC2)CC1)NCCCN1CCCC1=O ZINC000032974358 570562186 /nfs/dbraw/zinc/56/21/86/570562186.db2.gz SFTBVTRMMKDVNM-UHFFFAOYSA-N 0 0 377.529 2.324 10 0 GEAERN CN(Cc1nccc(N)n1)[C@H]1CCN(C(=O)Cc2ccc3ccccc3c2)C1 ZINC000275740111 570698983 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391.693 2.318 10 0 GEAERN CCN1CCC[C@H](NS(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000041066911 642525283 /nfs/dbraw/zinc/52/52/83/642525283.db2.gz LSAQWBASWYGNGG-JTQLQIEISA-N 0 0 382.711 2.260 10 0 GEAERN CC(=O)N[C@H]1CCCN(C(=O)c2ccc(F)cc2I)C1 ZINC000048607662 642655857 /nfs/dbraw/zinc/65/58/57/642655857.db2.gz KOYZRXFDXMNZBX-NSHDSACASA-N 0 0 390.196 2.171 10 0 GEAERN C[C@@H](CNS(=O)(=O)/C=C/c1ccc(Br)cc1)N1CCOCC1 ZINC000066910131 642947985 /nfs/dbraw/zinc/94/79/85/642947985.db2.gz KSMZXQMRPUMDCL-VKUYVZBCSA-N 0 0 389.315 2.060 10 0 GEAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000066918669 642950236 /nfs/dbraw/zinc/95/02/36/642950236.db2.gz WXIZMGIKXYZANQ-SECBINFHSA-N 0 0 380.235 2.162 10 0 GEAERN COc1c(Br)cc(Cl)cc1S(=O)(=O)NCC1CC(O)C1 ZINC000091524344 643065997 /nfs/dbraw/zinc/06/59/97/643065997.db2.gz PHWUPCPWWRIFAO-UHFFFAOYSA-N 0 0 384.679 2.160 10 0 GEAERN COc1ccc(CNC(=O)[C@@H](C)NC(=O)c2ccco2)cc1Br ZINC000101533327 643106239 /nfs/dbraw/zinc/10/62/39/643106239.db2.gz 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Cc1noc([C@@H]2COCCN2C(=O)c2cc(Br)cnc2Cl)n1 ZINC000158935408 644169097 /nfs/dbraw/zinc/16/90/97/644169097.db2.gz PWTKSJNMSLFOPA-JTQLQIEISA-N 0 0 387.621 2.403 10 0 GEAERN COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2F)C[C@H]1C ZINC000161941393 644226132 /nfs/dbraw/zinc/22/61/32/644226132.db2.gz KXVMCQAUSBSEJP-SCZZXKLOSA-N 0 0 380.235 2.018 10 0 GEAERN Cc1nc(CN2CCCN(C(=O)c3csc(S(C)(=O)=O)c3)CC2)cs1 ZINC000163014356 644245030 /nfs/dbraw/zinc/24/50/30/644245030.db2.gz ZPUXROMVVLXFIX-UHFFFAOYSA-N 0 0 399.563 2.265 10 0 GEAERN C[C@H]1C[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br ZINC000171059861 644305459 /nfs/dbraw/zinc/30/54/59/644305459.db2.gz KJDSHCVAQJALTB-IINYFYTJSA-N 0 0 387.299 2.372 10 0 GEAERN Cc1ccc(NC(=O)CN2CC[C@@H](N3CCOCC3)C2)c(Br)c1 ZINC000172806429 644344665 /nfs/dbraw/zinc/34/46/65/644344665.db2.gz QPVOZLJOJQEQMG-CQSZACIVSA-N 0 0 382.302 2.103 10 0 GEAERN CCc1nnc([C@H]2CN(C(=O)c3cc(F)ccc3Br)CCO2)[nH]1 ZINC000173094764 644351110 /nfs/dbraw/zinc/35/11/10/644351110.db2.gz 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644996354 /nfs/dbraw/zinc/99/63/54/644996354.db2.gz ZABUGWNXKPNQAZ-SECBINFHSA-N 0 0 378.231 2.352 10 0 GEAERN C[C@@H](NCC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccc(F)cc1Cl ZINC000183799012 645004129 /nfs/dbraw/zinc/00/41/29/645004129.db2.gz KVYSVONTYABYDX-SNVBAGLBSA-N 0 0 385.848 2.416 10 0 GEAERN CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2cccc(Br)c2)cn1 ZINC000184774114 645026875 /nfs/dbraw/zinc/02/68/75/645026875.db2.gz JUGXWOQZTWGPFX-JTQLQIEISA-N 0 0 398.282 2.243 10 0 GEAERN Cc1noc([C@H]2COCCN2CC(=O)Nc2ccc(Br)cc2)n1 ZINC000185087105 645034614 /nfs/dbraw/zinc/03/46/14/645034614.db2.gz ZHCZHHCXPFMRJG-CYBMUJFWSA-N 0 0 381.230 2.153 10 0 GEAERN CCO[C@@H]1C[C@@H](NS(=O)(=O)Cc2c(F)cccc2F)C12CCOCC2 ZINC000185157247 645037781 /nfs/dbraw/zinc/03/77/81/645037781.db2.gz HVBPPAWSQIHKQK-HZPDHXFCSA-N 0 0 375.437 2.358 10 0 GEAERN CCC[C@H](NS(=O)(=O)c1cnn(CC(F)(F)F)c1)C(=O)OC(C)(C)C ZINC000185876157 645056214 /nfs/dbraw/zinc/05/62/14/645056214.db2.gz IHNHVZVCBXGBRB-NSHDSACASA-N 0 0 385.408 2.234 10 0 GEAERN O=C(NCCN[C@H](c1ccc(Br)cc1)c1cncnc1)C1CC1 ZINC000186078864 645059682 /nfs/dbraw/zinc/05/96/82/645059682.db2.gz WZEJTTWSCZRYQX-MRXNPFEDSA-N 0 0 375.270 2.444 10 0 GEAERN O=C(NC1CN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C1)C1CCC1 ZINC000186187427 645063686 /nfs/dbraw/zinc/06/36/86/645063686.db2.gz SFMURVJDOFMAEX-UHFFFAOYSA-N 0 0 376.400 2.136 10 0 GEAERN Cc1noc([C@H]2COCCN2C(=O)Cc2ccc(F)cc2Br)n1 ZINC000187041134 645080511 /nfs/dbraw/zinc/08/05/11/645080511.db2.gz OEBFPLWLWDHNLZ-CYBMUJFWSA-N 0 0 384.205 2.422 10 0 GEAERN COC(=O)[C@@]1(C)CCCN1C(=O)/C=C/c1ccc(I)o1 ZINC000187618681 645095368 /nfs/dbraw/zinc/09/53/68/645095368.db2.gz RIOQTAWHHMYROP-HZRUHFOJSA-N 0 0 389.189 2.452 10 0 GEAERN Cc1cccc(C(=O)N2CC(NC(=O)C3CCC3)C2)c1I ZINC000188529779 645116127 /nfs/dbraw/zinc/11/61/27/645116127.db2.gz RSGWBHPRYINGNQ-UHFFFAOYSA-N 0 0 398.244 2.340 10 0 GEAERN Cc1ccc(I)c(C(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000188545564 645117882 /nfs/dbraw/zinc/11/78/82/645117882.db2.gz MGDCPYZOPYMRNX-UHFFFAOYSA-N 0 0 398.244 2.340 10 0 GEAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000193466390 645276057 /nfs/dbraw/zinc/27/60/57/645276057.db2.gz KRLYQBGCTZJBHH-ZWNOBZJWSA-N 0 0 395.670 2.124 10 0 GEAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cc(Br)ccc1OC(C)C ZINC000193609406 645289892 /nfs/dbraw/zinc/28/98/92/645289892.db2.gz HQRTVEYVJUCNGE-TZMCWYRMSA-N 0 0 385.258 2.157 10 0 GEAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000193754148 645296357 /nfs/dbraw/zinc/29/63/57/645296357.db2.gz APEBLTMMLQPXSO-UKRRQHHQSA-N 0 0 391.320 2.325 10 0 GEAERN CN(CC(=O)N[C@H]1COc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1 ZINC000194873300 645349067 /nfs/dbraw/zinc/34/90/67/645349067.db2.gz FOYJEHHUMWUFHF-HNNXBMFYSA-N 0 0 380.853 2.210 10 0 GEAERN COc1ccc(Br)cc1CNC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000194943740 645350118 /nfs/dbraw/zinc/35/01/18/645350118.db2.gz CBBOIDCKBPFJCT-AWEZNQCLSA-N 0 0 384.274 2.268 10 0 GEAERN C[C@@H]1c2nnc(C(F)(F)F)n2CCN1C(=O)c1c(Br)cnn1C ZINC000223510375 645387227 /nfs/dbraw/zinc/38/72/27/645387227.db2.gz XCUQSKWVRKOUHF-ZCFIWIBFSA-N 0 0 393.167 2.010 10 0 GEAERN CCc1nccn1CCCNC(=O)c1nn2c(c1Br)OCCC2 ZINC000223788700 645387565 /nfs/dbraw/zinc/38/75/65/645387565.db2.gz BUFASXLOHBFUBU-UHFFFAOYSA-N 0 0 382.262 2.007 10 0 GEAERN CCN1CCO[C@@H](CNC(=O)c2cccc(C)c2I)C1 ZINC000227203648 645392369 /nfs/dbraw/zinc/39/23/69/645392369.db2.gz LTTSESKVJMNBCC-LBPRGKRZSA-N 0 0 388.249 2.050 10 0 GEAERN O=C(N[C@@H]1CCCC[C@H]1CO)c1cc(I)ccc1O ZINC000236502686 645411257 /nfs/dbraw/zinc/41/12/57/645411257.db2.gz ZTYWJWOUSVMFNH-JOYOIKCWSA-N 0 0 375.206 2.278 10 0 GEAERN CC[C@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CCN1C[C@H](C)O ZINC000246187059 645478011 /nfs/dbraw/zinc/47/80/11/645478011.db2.gz RJZLWPMRXJBRTR-STQMWFEESA-N 0 0 380.432 2.262 10 0 GEAERN C[C@@H]1CN(Cc2ccc(I)cc2)C[C@H]1N1CCOCC1 ZINC000246329639 645479960 /nfs/dbraw/zinc/47/99/60/645479960.db2.gz DQLUTVMWCKNJRM-CZUORRHYSA-N 0 0 386.277 2.444 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000246605038 645487328 /nfs/dbraw/zinc/48/73/28/645487328.db2.gz URAHCKKYSZKOQO-NUEKZKHPSA-N 0 0 386.539 2.241 10 0 GEAERN C[C@H]1CN([C@H](CNC(=O)CSc2nncs2)c2cccs2)CCO1 ZINC000247010608 645501264 /nfs/dbraw/zinc/50/12/64/645501264.db2.gz RNGKEOWQBIZRJH-NWDGAFQWSA-N 0 0 384.552 2.270 10 0 GEAERN C[C@H](C(=O)Nc1ccccc1Br)N1CC[C@@H](N2CCOCC2)C1 ZINC000247478092 645509835 /nfs/dbraw/zinc/50/98/35/645509835.db2.gz JWKOPDHKJZMADY-ZIAGYGMSSA-N 0 0 382.302 2.183 10 0 GEAERN CC(C)[C@H](SC[C@H](O)c1ccccc1)C(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000248169321 645522433 /nfs/dbraw/zinc/52/24/33/645522433.db2.gz QXVXMQVWWNHADG-XYJFISCASA-N 0 0 385.551 2.171 10 0 GEAERN CN1CCO[C@@H](CN[C@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000248556616 645531388 /nfs/dbraw/zinc/53/13/88/645531388.db2.gz KYSKZKMLICBVES-DLBZAZTESA-N 0 0 377.286 2.249 10 0 GEAERN CN1CCO[C@H](CN[C@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000248556620 645531744 /nfs/dbraw/zinc/53/17/44/645531744.db2.gz KYSKZKMLICBVES-IAGOWNOFSA-N 0 0 377.286 2.249 10 0 GEAERN Cc1noc([C@H]2COCCN2C[C@@H](O)c2ccc(F)c(Br)c2)n1 ZINC000248577865 645532566 /nfs/dbraw/zinc/53/25/66/645532566.db2.gz UNGRGPDYYZSRKL-ZIAGYGMSSA-N 0 0 386.221 2.387 10 0 GEAERN CCOCCN1CCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)C[C@@H]1C ZINC000248709050 645534112 /nfs/dbraw/zinc/53/41/12/645534112.db2.gz BOSDPEJRNFFUIU-SUMWQHHRSA-N 0 0 397.313 2.322 10 0 GEAERN CNS(=O)(=O)c1cccc([C@@H](C)NS(=O)(=O)/C=C\c2ccccc2)c1 ZINC000255637439 645583859 /nfs/dbraw/zinc/58/38/59/645583859.db2.gz KKCCMUDTZVFIOH-XMXAVACDSA-N 0 0 380.491 2.246 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000262463767 645630990 /nfs/dbraw/zinc/63/09/90/645630990.db2.gz LCXOEHYGRWHGNQ-UHFFFAOYSA-N 0 0 395.308 2.350 10 0 GEAERN C[C@H](C(=O)Nc1ccccc1Br)N1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000262489699 645632992 /nfs/dbraw/zinc/63/29/92/645632992.db2.gz WJUCMPJMHRNXJQ-GFCCVEGCSA-N 0 0 398.301 2.257 10 0 GEAERN C[C@@H](C(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000262884374 645647602 /nfs/dbraw/zinc/64/76/02/645647602.db2.gz FZKSELYPLIVMAG-YPMHNXCESA-N 0 0 389.279 2.341 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Nc2cc(Br)cnc2C)C1 ZINC000263132654 645654175 /nfs/dbraw/zinc/65/41/75/645654175.db2.gz NFRRRGHKONPHEZ-UHFFFAOYSA-N 0 0 385.262 2.212 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N[C@H](C)c2ccc(Br)cn2)C1 ZINC000263409369 645664056 /nfs/dbraw/zinc/66/40/56/645664056.db2.gz UMFTXHAQSMMKCF-QFWMXSHPSA-N 0 0 399.289 2.142 10 0 GEAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(Cc2ccc(Br)c(Cl)c2)CCO1 ZINC000263517687 645668027 /nfs/dbraw/zinc/66/80/27/645668027.db2.gz PJQUEJZPYHGXIH-GFCCVEGCSA-N 0 0 391.693 2.320 10 0 GEAERN CO[C@@H]1C[C@@H](CO)N(C(=O)c2cc(Br)cc(Br)c2)C1 ZINC000284893523 646845027 /nfs/dbraw/zinc/84/50/27/646845027.db2.gz RVIFWXAMOZLAKB-NWDGAFQWSA-N 0 0 393.075 2.433 10 0 GEAERN O=S(=O)(NC[C@@H]1CCn2ccnc2C1)c1sccc1Br ZINC000328641836 647312081 /nfs/dbraw/zinc/31/20/81/647312081.db2.gz YBPDRYFYTLCSBU-SECBINFHSA-N 0 0 376.301 2.248 10 0 GEAERN CN1C[C@H](CNC(=O)c2ccc(I)c(Cl)c2)CC1=O ZINC000598264025 652809007 /nfs/dbraw/zinc/80/90/07/652809007.db2.gz VJHXYUXIBXWWPV-QMMMGPOBSA-N 0 0 392.624 2.153 10 0 GEAERN O[C@@H]1COCC[C@@H]1Nc1ncc(C(F)(F)F)cc1I ZINC000601202455 653083026 /nfs/dbraw/zinc/08/30/26/653083026.db2.gz AKAGQMUSZOIHPH-DTWKUNHWSA-N 0 0 388.127 2.267 10 0 GEAERN COCCN1CCN(C(=O)Nc2c(Cl)n(C)nc2C(F)(F)F)C[C@H]1C ZINC000889195040 654128873 /nfs/dbraw/zinc/12/88/73/654128873.db2.gz QMEIUKKIQSMRRI-SECBINFHSA-N 0 0 383.802 2.277 10 0 GEAERN Cc1nc2n(c1C)CCN(C(=O)c1nscc1I)C2 ZINC000906757520 654468807 /nfs/dbraw/zinc/46/88/07/654468807.db2.gz SHMOLIPPBCHYAO-UHFFFAOYSA-N 0 0 388.234 2.217 10 0 GEAERN COc1ncc(Br)cc1CNC(=O)C1C[C@H]2CSC[C@@H](C1)C2=O ZINC000913008618 654778625 /nfs/dbraw/zinc/77/86/25/654778625.db2.gz QUPRQEXHYBUYBV-CLYYMRHHSA-N 0 0 399.310 2.427 10 0 GEAERN COC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)c(I)c2)C1 ZINC000151794075 531520979 /nfs/dbraw/zinc/52/09/79/531520979.db2.gz SWIYFRICBWLSBR-SNVBAGLBSA-N 0 0 391.180 2.456 10 0 GEAERN CN1CCO[C@@H]2CN(c3cnn(-c4ccc(Cl)cc4)c(=O)c3Cl)C[C@@H]21 ZINC000153186946 531592508 /nfs/dbraw/zinc/59/25/08/531592508.db2.gz BXKIMVQYAIRNTH-LSDHHAIUSA-N 0 0 381.263 2.059 10 0 GEAERN CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000153530526 531603504 /nfs/dbraw/zinc/60/35/04/531603504.db2.gz ZYUBGLWXVZWSDR-CHWSQXEVSA-N 0 0 380.432 2.240 10 0 GEAERN COCCOCCS(=O)(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000154781729 531634235 /nfs/dbraw/zinc/63/42/35/531634235.db2.gz DCWUDIAQEJQFPF-CQSZACIVSA-N 0 0 376.544 2.439 10 0 GEAERN COCCn1nc(C(=O)N[C@@H](C)c2cccc(Br)c2)ccc1=O ZINC000030465533 531636377 /nfs/dbraw/zinc/63/63/77/531636377.db2.gz WPKRVCPBFUCKGD-NSHDSACASA-N 0 0 380.242 2.143 10 0 GEAERN C[C@@H](NS(=O)(=O)c1c(F)cccc1F)c1ccc(S(C)(=O)=O)cc1 ZINC000030501625 531637134 /nfs/dbraw/zinc/63/71/34/531637134.db2.gz FLJWECWHZRCVHA-SNVBAGLBSA-N 0 0 375.418 2.408 10 0 GEAERN CCn1cnnc1C1CCN([C@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000155414097 531681775 /nfs/dbraw/zinc/68/17/75/531681775.db2.gz UWGPZCUSAZDMNZ-HNNXBMFYSA-N 0 0 392.301 2.467 10 0 GEAERN Cc1noc([C@@H]2COCCN2C(=O)c2ccccc2I)n1 ZINC000155399098 531681973 /nfs/dbraw/zinc/68/19/73/531681973.db2.gz ZICQYJUOZXFFLD-LBPRGKRZSA-N 0 0 399.188 2.196 10 0 GEAERN NS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000045614043 531693398 /nfs/dbraw/zinc/69/33/98/531693398.db2.gz QMBKASXCUAYTDT-NEPJUHHUSA-N 0 0 379.404 2.254 10 0 GEAERN CCCC(=O)N[C@@H]1CCCN([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000155889159 531705096 /nfs/dbraw/zinc/70/50/96/531705096.db2.gz LGDHPPMHAOIQPF-ZBFHGGJFSA-N 0 0 382.302 2.356 10 0 GEAERN C[C@H](C(=O)N[C@@H](C)[C@H]1CCCO1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000046709869 531707653 /nfs/dbraw/zinc/70/76/53/531707653.db2.gz SWWIHAYNRVIDMO-IMSIIYSGSA-N 0 0 395.253 2.117 10 0 GEAERN Cc1nccn1C[C@@H]1CCCN1C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000156281615 531726954 /nfs/dbraw/zinc/72/69/54/531726954.db2.gz UBFRNLFTOGJSQQ-ZDUSSCGKSA-N 0 0 394.273 2.349 10 0 GEAERN CCCC(=O)N[C@H]1CCCN(C(=O)Nc2cc(Br)c(=O)n(C)c2)C1 ZINC000156148142 531719310 /nfs/dbraw/zinc/71/93/10/531719310.db2.gz SMOCNSBRGKCLHO-NSHDSACASA-N 0 0 399.289 2.060 10 0 GEAERN C[C@@H]1CN(C(=O)Cc2ccc(Br)c(F)c2)C[C@@H]1N1CCOCC1 ZINC000157850788 531757147 /nfs/dbraw/zinc/75/71/47/531757147.db2.gz ZUBDSMIGDYJGOI-WBMJQRKESA-N 0 0 385.277 2.310 10 0 GEAERN C[C@@H](N[C@@H](C(N)=O)c1cccc(Br)c1)c1nnc2n1CCCC2 ZINC000162183087 531837725 /nfs/dbraw/zinc/83/77/25/531837725.db2.gz BSKIAQKRYLTAPC-QMTHXVAHSA-N 0 0 378.274 2.254 10 0 GEAERN COC(=O)[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000163576269 531861278 /nfs/dbraw/zinc/86/12/78/531861278.db2.gz VZLIDIDSSNONKY-GFCCVEGCSA-N 0 0 387.205 2.081 10 0 GEAERN COC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1cccc(Br)c1C ZINC000163586039 531861639 /nfs/dbraw/zinc/86/16/39/531861639.db2.gz VAXCDNMSSGIRMY-ZDUSSCGKSA-N 0 0 383.242 2.250 10 0 GEAERN COC(=O)[C@H]1C[C@@H]1C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000170756751 531892587 /nfs/dbraw/zinc/89/25/87/531892587.db2.gz QLNWNWVXBJKOIB-STQMWFEESA-N 0 0 378.226 2.442 10 0 GEAERN Cn1cc([C@H]2CCCN2C(=O)C(=O)Nc2cccc(Br)c2)cn1 ZINC000171397029 531906599 /nfs/dbraw/zinc/90/65/99/531906599.db2.gz PTMJHDRXCDKFRS-CQSZACIVSA-N 0 0 377.242 2.485 10 0 GEAERN CSc1ncc(Cl)c(C(=O)N2CCC(N(C)c3cccnn3)CC2)n1 ZINC000171812952 531918274 /nfs/dbraw/zinc/91/82/74/531918274.db2.gz UEXDKORINZECPC-UHFFFAOYSA-N 0 0 378.889 2.383 10 0 GEAERN O=C(NCc1ccc(F)cc1Br)N1CCO[C@H](Cn2cccn2)C1 ZINC000171903911 531923020 /nfs/dbraw/zinc/92/30/20/531923020.db2.gz RVDGKONKFLQACN-AWEZNQCLSA-N 0 0 397.248 2.395 10 0 GEAERN COCc1cccc(S(=O)(=O)N2CCN(Cc3cnc(C)s3)CC2)c1 ZINC000171771364 531915316 /nfs/dbraw/zinc/91/53/16/531915316.db2.gz MUKFPNLGKIMEKI-UHFFFAOYSA-N 0 0 381.523 2.104 10 0 GEAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)Nc2nnc(C)s2)CC1 ZINC000172046002 531931395 /nfs/dbraw/zinc/93/13/95/531931395.db2.gz ABHCNYDKLZOCEK-UHFFFAOYSA-N 0 0 383.909 2.146 10 0 GEAERN Cc1ccc(OCCC(=O)N[C@H]2CCc3ncnn3C2)c(Br)c1 ZINC000112657564 531949487 /nfs/dbraw/zinc/94/94/87/531949487.db2.gz YRPYXTXOCJBVCV-LBPRGKRZSA-N 0 0 379.258 2.249 10 0 GEAERN C[C@H](NC(=O)NC[C@](C)(O)c1cccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000172360904 531949763 /nfs/dbraw/zinc/94/97/63/531949763.db2.gz TYOZJSMMONSURW-SJCJKPOMSA-N 0 0 382.507 2.420 10 0 GEAERN C[C@](O)(CNC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21)c1ccsc1 ZINC000172597908 531959772 /nfs/dbraw/zinc/95/97/72/531959772.db2.gz WCBOYOLKCYKGNT-PBHICJAKSA-N 0 0 380.491 2.174 10 0 GEAERN COc1cccc(CS(=O)(=O)N2CCN(Cc3cnc(C)s3)CC2)c1 ZINC000117921282 531962306 /nfs/dbraw/zinc/96/23/06/531962306.db2.gz YEEVVIMAPLNBKS-UHFFFAOYSA-N 0 0 381.523 2.108 10 0 GEAERN O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC[C@@H](n2cncn2)C1 ZINC000114209431 531956221 /nfs/dbraw/zinc/95/62/21/531956221.db2.gz ONABGHBVSLZTSP-LLVKDONJSA-N 0 0 376.360 2.203 10 0 GEAERN CCN(CC)S(=O)(=O)CC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000114167640 531956488 /nfs/dbraw/zinc/95/64/88/531956488.db2.gz SMCVKPOPNHNOCD-LLVKDONJSA-N 0 0 377.304 2.298 10 0 GEAERN Cc1ccc(O[C@@H](C)C(=O)N2CC[C@@H](N3CCOCC3)C2)c(Br)c1 ZINC000172750346 531967675 /nfs/dbraw/zinc/96/76/75/531967675.db2.gz QFYMBHNCXVTQSF-LSDHHAIUSA-N 0 0 397.313 2.458 10 0 GEAERN C[C@@H](COCc1ccccc1)NC(=O)c1nc2ncc(Br)cn2n1 ZINC000172974023 531977154 /nfs/dbraw/zinc/97/71/54/531977154.db2.gz NPGGCVWLQYCLBJ-NSHDSACASA-N 0 0 390.241 2.222 10 0 GEAERN C[C@@H](NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)c1ccc(Cl)cc1 ZINC000173088587 531986346 /nfs/dbraw/zinc/98/63/46/531986346.db2.gz WTAFVWFGSKZRBY-LLVKDONJSA-N 0 0 380.853 2.090 10 0 GEAERN C[C@@H](Cc1cccc(Br)c1)NC(=O)NC[C@H](C)N1CCOCC1 ZINC000120840994 531997826 /nfs/dbraw/zinc/99/78/26/531997826.db2.gz ZZWBVAYPWYBHIL-KBPBESRZSA-N 0 0 384.318 2.400 10 0 GEAERN CC(=O)N[C@H]1CCCN([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000120839006 531998014 /nfs/dbraw/zinc/99/80/14/531998014.db2.gz MNYJPKYBUPYARW-DYVFJYSZSA-N 0 0 396.329 2.397 10 0 GEAERN C[C@H](Cc1cccc(Br)c1)NC(=O)NC[C@H](C)N1CCOCC1 ZINC000120841153 531998310 /nfs/dbraw/zinc/99/83/10/531998310.db2.gz ZZWBVAYPWYBHIL-KGLIPLIRSA-N 0 0 384.318 2.400 10 0 GEAERN O=C(Nc1ccc(C(F)(F)F)cc1Br)C(=O)N1CCC[C@H]1CO ZINC000121003392 532008439 /nfs/dbraw/zinc/00/84/39/532008439.db2.gz HAYRVLJSVOGKKI-VIFPVBQESA-N 0 0 395.175 2.390 10 0 GEAERN C[C@@H]1CN(C(=O)c2cc3sc(N(C)C)nc3s2)C[C@H]1N1CCOCC1 ZINC000173401019 532009922 /nfs/dbraw/zinc/00/99/22/532009922.db2.gz LLKZJJGTOGAUEL-VXGBXAGGSA-N 0 0 380.539 2.217 10 0 GEAERN C[C@@H]1CN(C(=O)c2cc3sc(N(C)C)nc3s2)C[C@@H]1N1CCOCC1 ZINC000173400998 532009264 /nfs/dbraw/zinc/00/92/64/532009264.db2.gz LLKZJJGTOGAUEL-NEPJUHHUSA-N 0 0 380.539 2.217 10 0 GEAERN O=C(Nc1ncc(Cc2ccccc2Cl)s1)C(=O)N1CCC[C@@H]1CO ZINC000121243767 532020485 /nfs/dbraw/zinc/02/04/85/532020485.db2.gz CNYKNUONOFWSAG-GFCCVEGCSA-N 0 0 379.869 2.309 10 0 GEAERN Cc1csc([C@@H]2CCCN(C(=O)c3ccc(CS(N)(=O)=O)cc3)C2)n1 ZINC000173590297 532020802 /nfs/dbraw/zinc/02/08/02/532020802.db2.gz NKZBRLHXTORYCY-OAHLLOKOSA-N 0 0 379.507 2.260 10 0 GEAERN CCc1nnc([C@H]2CN(C(=O)Cc3ccc(Br)cc3)CCO2)[nH]1 ZINC000173582675 532020924 /nfs/dbraw/zinc/02/09/24/532020924.db2.gz WYPJAVRTLAUBEE-CYBMUJFWSA-N 0 0 379.258 2.272 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)c3cc4sc(N(C)C)nc4s3)CCO2)[nH]1 ZINC000173599852 532023006 /nfs/dbraw/zinc/02/30/06/532023006.db2.gz ACDITWCELICDTO-SECBINFHSA-N 0 0 378.483 2.064 10 0 GEAERN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CC[C@H](N2CCOCC2)C1 ZINC000173607448 532023470 /nfs/dbraw/zinc/02/34/70/532023470.db2.gz IIESUGJZUOGHTA-KRWDZBQOSA-N 0 0 386.323 2.358 10 0 GEAERN C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000173675694 532025789 /nfs/dbraw/zinc/02/57/89/532025789.db2.gz FVDORKMHISZILH-CZUORRHYSA-N 0 0 394.269 2.341 10 0 GEAERN Cc1nnc([C@H]2CN(CC(=O)Nc3ccc(Br)cc3F)CCO2)[nH]1 ZINC000173713475 532027776 /nfs/dbraw/zinc/02/77/76/532027776.db2.gz RXPXNEXBVGMNAZ-CYBMUJFWSA-N 0 0 398.236 2.027 10 0 GEAERN CSc1ccc(Cl)cc1NC(=O)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000173692970 532028081 /nfs/dbraw/zinc/02/80/81/532028081.db2.gz VYPICDQIKJQEKA-LBPRGKRZSA-N 0 0 379.873 2.456 10 0 GEAERN COc1ccc(Br)cc1CC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000173675015 532026490 /nfs/dbraw/zinc/02/64/90/532026490.db2.gz PZBJMIUAZPZXMV-HNNXBMFYSA-N 0 0 394.269 2.124 10 0 GEAERN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)NC[C@H]1CN(C)CCO1 ZINC000121493398 532031968 /nfs/dbraw/zinc/03/19/68/532031968.db2.gz PAQRPQLQBKOYPC-AAEUAGOBSA-N 0 0 388.281 2.149 10 0 GEAERN Cc1nc(CN2CCCN(S(=O)(=O)c3cc(Cl)ccc3C)CC2)no1 ZINC000173825710 532036130 /nfs/dbraw/zinc/03/61/30/532036130.db2.gz GNCSZYAPPANSBI-UHFFFAOYSA-N 0 0 384.889 2.236 10 0 GEAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cccc(Br)c1 ZINC000121698608 532042079 /nfs/dbraw/zinc/04/20/79/532042079.db2.gz OTRODCNVGHRWQX-LBPRGKRZSA-N 0 0 392.257 2.193 10 0 GEAERN O=C(NCCNc1ncc(Cl)cc1Cl)N1CCC[C@H](n2cncn2)C1 ZINC000173923805 532042841 /nfs/dbraw/zinc/04/28/41/532042841.db2.gz QLDDPPPREMKAQL-LBPRGKRZSA-N 0 0 384.271 2.439 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(Br)c(C)n1 ZINC000174097214 532049372 /nfs/dbraw/zinc/04/93/72/532049372.db2.gz FRAFWZUCHRLUKT-LBPRGKRZSA-N 0 0 390.303 2.295 10 0 GEAERN C[C@@H](N[C@H](C(N)=O)c1ccc(Br)cc1F)c1nnc2n1CCCC2 ZINC000174297238 532059933 /nfs/dbraw/zinc/05/99/33/532059933.db2.gz XICMVJXJJFCYCV-OTYXRUKQSA-N 0 0 396.264 2.393 10 0 GEAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000174830237 532079761 /nfs/dbraw/zinc/07/97/61/532079761.db2.gz AXBHCSGLWBLHDY-NHYWBVRUSA-N 0 0 391.269 2.351 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000174840813 532080706 /nfs/dbraw/zinc/08/07/06/532080706.db2.gz KWVFMIXJLXNVJF-JTQLQIEISA-N 0 0 399.460 2.025 10 0 GEAERN Cc1cc(N2CCC[C@H](NC(=O)c3ccc(Br)cc3)C2=O)n(C)n1 ZINC000174972957 532085242 /nfs/dbraw/zinc/08/52/42/532085242.db2.gz MHVSQMSKJCSGDD-AWEZNQCLSA-N 0 0 391.269 2.416 10 0 GEAERN Cc1cc(N2CCC[C@H](NC(=O)c3cnc(Cl)c(Cl)c3)C2=O)n(C)n1 ZINC000174980394 532085513 /nfs/dbraw/zinc/08/55/13/532085513.db2.gz QRWNADXJZOIPTN-LBPRGKRZSA-N 0 0 382.251 2.356 10 0 GEAERN CCc1nnc([C@H]2CN(C(=O)COc3ccccc3Br)CCO2)[nH]1 ZINC000123087356 532092031 /nfs/dbraw/zinc/09/20/31/532092031.db2.gz SVQYMVKXQHGHSQ-CYBMUJFWSA-N 0 0 395.257 2.109 10 0 GEAERN C[C@H]1CCCN(S(=O)(=O)N(C)C[C@@H](c2cccs2)N2CCOCC2)C1 ZINC000175213502 532092578 /nfs/dbraw/zinc/09/25/78/532092578.db2.gz RHPFEJGYMYJWOK-HOTGVXAUSA-N 0 0 387.571 2.030 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)NCc3cc(F)cc(Br)c3)CCO2)[nH]1 ZINC000175433031 532104344 /nfs/dbraw/zinc/10/43/44/532104344.db2.gz SCAZTMWCLUKAOB-ZDUSSCGKSA-N 0 0 398.236 2.298 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1cccc(I)c1 ZINC000124370061 532120108 /nfs/dbraw/zinc/12/01/08/532120108.db2.gz RLCMROATYNQHNC-ZDUSSCGKSA-N 0 0 396.232 2.385 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc(F)cc1Br ZINC000176018264 532123104 /nfs/dbraw/zinc/12/31/04/532123104.db2.gz VVWHSTRXAMQJKT-GFCCVEGCSA-N 0 0 396.220 2.078 10 0 GEAERN C[C@H]1CN(C(=O)NCc2cc(Br)cs2)C[C@H]1N1CCOCC1 ZINC000175687896 532112287 /nfs/dbraw/zinc/11/22/87/532112287.db2.gz MYQWHNCMRUSENE-SMDDNHRTSA-N 0 0 388.331 2.373 10 0 GEAERN C[C@@H](Cc1ccccc1Br)NC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000124066995 532113985 /nfs/dbraw/zinc/11/39/85/532113985.db2.gz BTNKQTHQHHPOBL-HOCLYGCPSA-N 0 0 396.329 2.496 10 0 GEAERN C[C@H]1CN(C(=O)NCCc2ccc(Br)cc2)C[C@@H]1N1CCOCC1 ZINC000175792184 532115332 /nfs/dbraw/zinc/11/53/32/532115332.db2.gz KPMYWCFJFLKMFB-YOEHRIQHSA-N 0 0 396.329 2.354 10 0 GEAERN CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)c1cc(C(N)=O)cs1 ZINC000176526035 532139692 /nfs/dbraw/zinc/13/96/92/532139692.db2.gz WAJDFOUDLNRWFF-CYBMUJFWSA-N 0 0 379.507 2.054 10 0 GEAERN CCn1cc(CN2CCCN(c3ncc(Br)c(OC)n3)CC2)cn1 ZINC000176250276 532131337 /nfs/dbraw/zinc/13/13/37/532131337.db2.gz MRHGDXIMVUBSQX-UHFFFAOYSA-N 0 0 395.305 2.176 10 0 GEAERN CS(=O)(=O)N1CCC(CNC(=O)N2CCCC[C@@H]2c2nccs2)CC1 ZINC000176291029 532133501 /nfs/dbraw/zinc/13/35/01/532133501.db2.gz SHPQZGCSWQKNFZ-CQSZACIVSA-N 0 0 386.543 2.051 10 0 GEAERN O=C(c1ccccc1I)N1CCC[C@H](Cn2cncn2)C1 ZINC000127059036 532153051 /nfs/dbraw/zinc/15/30/51/532153051.db2.gz DTGMIXAPYFJCRD-LBPRGKRZSA-N 0 0 396.232 2.435 10 0 GEAERN CC(C)n1nnnc1C[S@@](=O)Cc1cn2cc(Br)ccc2n1 ZINC000176555627 532141060 /nfs/dbraw/zinc/14/10/60/532141060.db2.gz RGYSBWWFOZGEBH-QFIPXVFZSA-N 0 0 383.275 2.113 10 0 GEAERN C[C@H]1COC[C@H](C)N1C(=O)c1cccn2c(I)cnc12 ZINC000177226003 532165917 /nfs/dbraw/zinc/16/59/17/532165917.db2.gz YXYCRZBRGVAOEX-UWVGGRQHSA-N 0 0 385.205 2.188 10 0 GEAERN Cc1nc(NC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)ccc1Br ZINC000128788817 532168698 /nfs/dbraw/zinc/16/86/98/532168698.db2.gz QEZFVSARKQVHJM-SMDDNHRTSA-N 0 0 383.290 2.337 10 0 GEAERN O=C(CSC[C@H](O)CO)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000177417872 532170610 /nfs/dbraw/zinc/17/06/10/532170610.db2.gz CRFLWKDDVHNWGI-MRVPVSSYSA-N 0 0 388.205 2.493 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc2c(c(Br)c1)OCO2 ZINC000177710360 532179325 /nfs/dbraw/zinc/17/93/25/532179325.db2.gz ZPVUFNRLKPZOIV-NSHDSACASA-N 0 0 379.214 2.343 10 0 GEAERN CCn1cc(Br)cc1C(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000177701636 532179380 /nfs/dbraw/zinc/17/93/80/532179380.db2.gz WUTYCFPOPUJZMZ-LLVKDONJSA-N 0 0 382.262 2.273 10 0 GEAERN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CCS(=O)(=O)c1cccc(Br)c1 ZINC000177453711 532171300 /nfs/dbraw/zinc/17/13/00/532171300.db2.gz JAMXHJHSCTVYBC-ZIAGYGMSSA-N 0 0 398.278 2.174 10 0 GEAERN O=C(Nc1ccc(Br)cc1)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000177520102 532174088 /nfs/dbraw/zinc/17/40/88/532174088.db2.gz RQGFTSUVOMSBQJ-LBPRGKRZSA-N 0 0 396.266 2.444 10 0 GEAERN Cc1ncc(CN2CCN(C(=O)C(=O)Nc3cccc(Cl)c3)CC2)s1 ZINC000177600414 532176377 /nfs/dbraw/zinc/17/63/77/532176377.db2.gz PBMLQGYOMMIIEK-UHFFFAOYSA-N 0 0 378.885 2.388 10 0 GEAERN O=C(N[C@H]1CCCn2ncnc21)c1ccc(F)cc1I ZINC000177615062 532177572 /nfs/dbraw/zinc/17/75/72/532177572.db2.gz OTKYJILIPKQKBU-NSHDSACASA-N 0 0 386.168 2.287 10 0 GEAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1ccncc1Br ZINC000177998843 532189560 /nfs/dbraw/zinc/18/95/60/532189560.db2.gz ZIIVHFPCSZSOQY-CYBMUJFWSA-N 0 0 381.251 2.493 10 0 GEAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000131894475 532205428 /nfs/dbraw/zinc/20/54/28/532205428.db2.gz ILYCHGBYULFDRW-MFKMUULPSA-N 0 0 377.242 2.157 10 0 GEAERN O=C(Cc1ccccc1I)N1CCC[C@H](n2cncn2)C1 ZINC000178919815 532217697 /nfs/dbraw/zinc/21/76/97/532217697.db2.gz CCGWPEVYKLPXQU-ZDUSSCGKSA-N 0 0 396.232 2.289 10 0 GEAERN CNC(=O)[C@H](NC(=O)c1cn(-c2ccc(Br)cc2)nc1C)C(C)C ZINC000179293634 532227303 /nfs/dbraw/zinc/22/73/03/532227303.db2.gz AZBXILKOSSJZLA-OAHLLOKOSA-N 0 0 393.285 2.444 10 0 GEAERN COC(=O)c1ccc(S(=O)(=O)N2CCC(c3cc[nH]n3)CC2)cc1Cl ZINC000133310230 532231594 /nfs/dbraw/zinc/23/15/94/532231594.db2.gz XADZGHRXPNTMPD-UHFFFAOYSA-N 0 0 383.857 2.418 10 0 GEAERN CNC(=O)[C@H](NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl)C(C)C ZINC000179126825 532222517 /nfs/dbraw/zinc/22/25/17/532222517.db2.gz CRLQXCVARZHSOW-GFCCVEGCSA-N 0 0 380.798 2.443 10 0 GEAERN O=C(c1cnn2cc(Br)cnc12)N1CC[C@H](Oc2cccnc2)C1 ZINC000179827363 532246351 /nfs/dbraw/zinc/24/63/51/532246351.db2.gz ZDTHCNHJTFSFEB-ZDUSSCGKSA-N 0 0 388.225 2.180 10 0 GEAERN CN1CCO[C@H](CNC(=O)c2cc(Br)cc(Br)c2)C1 ZINC000179898108 532250329 /nfs/dbraw/zinc/25/03/29/532250329.db2.gz QYHPMUSEHMPVDK-GFCCVEGCSA-N 0 0 392.091 2.272 10 0 GEAERN CS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2O)cc1Br ZINC000179602328 532238106 /nfs/dbraw/zinc/23/81/06/532238106.db2.gz DBBRVZCKAPKQND-AAEUAGOBSA-N 0 0 390.299 2.134 10 0 GEAERN CCn1c(C)nnc1CS(=O)(=O)c1nnc(-c2cccs2)n1C1CC1 ZINC000179622284 532239562 /nfs/dbraw/zinc/23/95/62/532239562.db2.gz MPIBKADLCLQIBZ-UHFFFAOYSA-N 0 0 378.483 2.235 10 0 GEAERN Cn1c(CS(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2)nnc1C1CC1 ZINC000180070112 532255878 /nfs/dbraw/zinc/25/58/78/532255878.db2.gz CCUKAMHXYROQSX-UHFFFAOYSA-N 0 0 382.873 2.290 10 0 GEAERN Cc1nnc([C@@H]2CN(Cc3cnc4ccc(Br)cn34)CCO2)[nH]1 ZINC000180105426 532257628 /nfs/dbraw/zinc/25/76/28/532257628.db2.gz VPRFYOLFAXKPPJ-ZDUSSCGKSA-N 0 0 377.246 2.097 10 0 GEAERN C[C@@H](NC(=O)c1cc(I)c[nH]1)c1nnc2n1CCCC2 ZINC000135386678 532272215 /nfs/dbraw/zinc/27/22/15/532272215.db2.gz WNCWLDUBCIPWGR-MRVPVSSYSA-N 0 0 385.209 2.038 10 0 GEAERN NC(=O)[C@H]1COCCN1C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000180202340 532260779 /nfs/dbraw/zinc/26/07/79/532260779.db2.gz NTCNDMVHCPUMRH-GFCCVEGCSA-N 0 0 386.260 2.443 10 0 GEAERN C[C@H]1CN(Cc2cc(Br)c3c(c2)OCCO3)C[C@@H]1N1CCOCC1 ZINC000180228045 532262179 /nfs/dbraw/zinc/26/21/79/532262179.db2.gz OARLIYDHWBIPEB-BBRMVZONSA-N 0 0 397.313 2.373 10 0 GEAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)C[C@@H]1N1CCOCC1 ZINC000180257498 532263947 /nfs/dbraw/zinc/26/39/47/532263947.db2.gz XPZALVKUHYZTAY-NHYWBVRUSA-N 0 0 386.279 2.111 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(Br)nc1C ZINC000180671518 532277410 /nfs/dbraw/zinc/27/74/10/532277410.db2.gz PYSILRFRRUBUSB-LBPRGKRZSA-N 0 0 390.303 2.295 10 0 GEAERN COC(=O)C[C@H](NC(=O)Cc1ccn(C)n1)c1cccc(Br)c1 ZINC000181192723 532293396 /nfs/dbraw/zinc/29/33/96/532293396.db2.gz UWAORUNKPMVCJY-AWEZNQCLSA-N 0 0 380.242 2.146 10 0 GEAERN O=S(=O)(Cc1ccc(Cl)cc1Cl)N1CC[C@@H](N2CCOCC2)C1 ZINC000181670461 532304449 /nfs/dbraw/zinc/30/44/49/532304449.db2.gz ZGPFLTZPRFSGNY-CQSZACIVSA-N 0 0 379.309 2.230 10 0 GEAERN CC(C)n1nnnc1CSc1nnnn1-c1ccc(Br)cc1 ZINC000182181686 532310134 /nfs/dbraw/zinc/31/01/34/532310134.db2.gz HNNXNALMWFMNKM-UHFFFAOYSA-N 0 0 381.263 2.285 10 0 GEAERN Cc1ccc(Cl)cc1NC(=O)CS(=O)(=O)Cc1nnc(C(C)C)n1C ZINC000182389645 532312276 /nfs/dbraw/zinc/31/22/76/532312276.db2.gz HOBVGGBISSTANU-UHFFFAOYSA-N 0 0 384.889 2.454 10 0 GEAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@@H](C)c1ccccc1Br ZINC000182937594 532319421 /nfs/dbraw/zinc/31/94/21/532319421.db2.gz ICMOMVSBARHFQG-NSHDSACASA-N 0 0 392.253 2.272 10 0 GEAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1)C(C)C ZINC000185175837 532337098 /nfs/dbraw/zinc/33/70/98/532337098.db2.gz RRYBZQAUKSKKIH-LLVKDONJSA-N 0 0 379.766 2.184 10 0 GEAERN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2nccs2)cn1 ZINC000186135979 532339948 /nfs/dbraw/zinc/33/99/48/532339948.db2.gz CDDZOVDIASEOIE-CYBMUJFWSA-N 0 0 380.495 2.156 10 0 GEAERN Cc1nnc([C@H]2CN(C[C@H](O)c3ccc(F)c(Br)c3)CCO2)[nH]1 ZINC000187089785 532343041 /nfs/dbraw/zinc/34/30/41/532343041.db2.gz JRTHAYUQWTXCAE-UONOGXRCSA-N 0 0 385.237 2.122 10 0 GEAERN C[C@@H](COCc1ccccc1)NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000184959821 532336167 /nfs/dbraw/zinc/33/61/67/532336167.db2.gz DNJBQELSRHCQNB-LBPRGKRZSA-N 0 0 377.388 2.329 10 0 GEAERN Cc1ccc(Br)cc1CNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000187803386 532345657 /nfs/dbraw/zinc/34/56/57/532345657.db2.gz NZGDKEXZWAITSB-MRXNPFEDSA-N 0 0 382.302 2.374 10 0 GEAERN C[C@H]1C(=O)NCCCN1C(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000188075839 532346492 /nfs/dbraw/zinc/34/64/92/532346492.db2.gz IWKGZKMGHRUHAF-VIFPVBQESA-N 0 0 378.782 2.293 10 0 GEAERN CCc1nnc([C@@H]2CN(C(=O)Cc3ccc(F)cc3Br)CCO2)[nH]1 ZINC000188178430 532347147 /nfs/dbraw/zinc/34/71/47/532347147.db2.gz AATBXLVJZQZOCR-ZDUSSCGKSA-N 0 0 397.248 2.411 10 0 GEAERN Cc1ccc(CC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1Br ZINC000188203624 532347244 /nfs/dbraw/zinc/34/72/44/532347244.db2.gz ULKHIQFARISDMM-YOEHRIQHSA-N 0 0 381.314 2.479 10 0 GEAERN CC[C@@H](O)CN1CCN(C(=O)C2(c3ccccc3Br)CC2)CC1 ZINC000188661522 532348982 /nfs/dbraw/zinc/34/89/82/532348982.db2.gz VUJLPFMZQJTHLP-CQSZACIVSA-N 0 0 381.314 2.396 10 0 GEAERN Cc1c(C(=O)N2CCCNC(=O)[C@@H]2C)cnn1-c1cccc(Br)c1 ZINC000188871776 532349830 /nfs/dbraw/zinc/34/98/30/532349830.db2.gz XKLJWNHOXJWXIE-LBPRGKRZSA-N 0 0 391.269 2.294 10 0 GEAERN CCn1cc([C@@H]2CN(S(=O)(=O)c3cc(F)c(F)cc3F)CCO2)cn1 ZINC000189227617 532351432 /nfs/dbraw/zinc/35/14/32/532351432.db2.gz YESXCYDAVLTARW-AWEZNQCLSA-N 0 0 375.372 2.083 10 0 GEAERN O=C(CCCOc1cccc(Br)c1)N1CC(NC(=O)C2CC2)C1 ZINC000189402054 532352042 /nfs/dbraw/zinc/35/20/42/532352042.db2.gz KOYSAMXEJYFFOL-UHFFFAOYSA-N 0 0 381.270 2.345 10 0 GEAERN O=C(Cc1c[nH]c2cc(Br)ccc12)N1CC(NC(=O)C2CC2)C1 ZINC000189406848 532352053 /nfs/dbraw/zinc/35/20/53/532352053.db2.gz KDPJJWJCFIQKEM-UHFFFAOYSA-N 0 0 376.254 2.210 10 0 GEAERN COCCN1CCN(S(=O)(=O)c2ccc(CC(F)(F)F)cc2)C[C@@H]1C ZINC000189977637 532354370 /nfs/dbraw/zinc/35/43/70/532354370.db2.gz GJGARMMOOTUITP-ZDUSSCGKSA-N 0 0 380.432 2.133 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)NCc3cccc(C)c3Br)CCO2)[nH]1 ZINC000190516061 532356461 /nfs/dbraw/zinc/35/64/61/532356461.db2.gz IHOUCQBXFBZYNP-CYBMUJFWSA-N 0 0 394.273 2.467 10 0 GEAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000190666821 532357392 /nfs/dbraw/zinc/35/73/92/532357392.db2.gz FERCAVJQVAKPMO-QMMMGPOBSA-N 0 0 377.750 2.034 10 0 GEAERN O=C(Nc1cc(F)ccc1Br)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000190764772 532357808 /nfs/dbraw/zinc/35/78/08/532357808.db2.gz KNKKIVZMALUTJE-GFCCVEGCSA-N 0 0 395.232 2.414 10 0 GEAERN O=C(Nc1cc(Br)ccc1F)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000190769953 532357859 /nfs/dbraw/zinc/35/78/59/532357859.db2.gz PQZCPXAYPXXJFV-GFCCVEGCSA-N 0 0 395.232 2.414 10 0 GEAERN O=C(Nc1cc(F)cc(F)c1Br)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000191229215 532359990 /nfs/dbraw/zinc/35/99/90/532359990.db2.gz WSBVGAUBOPZMMP-GZMMTYOYSA-N 0 0 391.212 2.333 10 0 GEAERN C[C@H]1CN(C(=O)c2cc(Br)ncc2Cl)C[C@@H]1N1CCOCC1 ZINC000187596509 532344965 /nfs/dbraw/zinc/34/49/65/532344965.db2.gz VWBYWQPZNJELKR-GWCFXTLKSA-N 0 0 388.693 2.290 10 0 GEAERN CC(=O)NC1CN(C(=O)COc2ccc3ccccc3c2Br)C1 ZINC000191480479 532361080 /nfs/dbraw/zinc/36/10/80/532361080.db2.gz NVGYEYCEUGVAKY-UHFFFAOYSA-N 0 0 377.238 2.328 10 0 GEAERN COc1cc(Br)ccc1CCCNC(=O)N1CCCNC(=O)[C@@H]1C ZINC000191555089 532361364 /nfs/dbraw/zinc/36/13/64/532361364.db2.gz JJEXECACTCKCIQ-LBPRGKRZSA-N 0 0 398.301 2.310 10 0 GEAERN Cc1cnn(CCNC(=O)C(=O)Nc2cccc(Cl)c2Br)c1 ZINC000192033718 532379641 /nfs/dbraw/zinc/37/96/41/532379641.db2.gz NSIZSUBUGGPKHR-UHFFFAOYSA-N 0 0 385.649 2.362 10 0 GEAERN Cn1nc(Br)cc1C(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000192199972 532393517 /nfs/dbraw/zinc/39/35/17/532393517.db2.gz AKVGBKHJMJBGTR-SKDRFNHKSA-N 0 0 386.196 2.409 10 0 GEAERN CCCCOC[C@@H](O)CN1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000193376745 532422903 /nfs/dbraw/zinc/42/29/03/532422903.db2.gz SLIRJLYWMJWVRE-KRWDZBQOSA-N 0 0 399.329 2.385 10 0 GEAERN CCCC(=O)N[C@@H]1CCCN([C@@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000245891917 532524633 /nfs/dbraw/zinc/52/46/33/532524633.db2.gz GLFBRKPACFBCIR-GDBMZVCRSA-N 0 0 382.302 2.356 10 0 GEAERN C[C@H](NC(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1)c1ccccc1Br ZINC000245947745 532527418 /nfs/dbraw/zinc/52/74/18/532527418.db2.gz BSGNKQGHHDFIDB-ZOWXZIJZSA-N 0 0 398.301 2.445 10 0 GEAERN C[C@H](O)CN1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)C[C@@H]1C ZINC000246896477 532545106 /nfs/dbraw/zinc/54/51/06/532545106.db2.gz XMBROXJEXDGSIF-KBPBESRZSA-N 0 0 381.314 2.394 10 0 GEAERN CSc1ccc(S(=O)(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cc1Cl ZINC000248649313 532553300 /nfs/dbraw/zinc/55/33/00/532553300.db2.gz RJGDCODQHQWSNB-SWLSCSKDSA-N 0 0 390.958 2.403 10 0 GEAERN CN1CCO[C@@H](CNC(=O)c2scc(Br)c2Br)C1 ZINC000528317786 532562367 /nfs/dbraw/zinc/56/23/67/532562367.db2.gz VCZLNUMOLHBXHP-ZETCQYMHSA-N 0 0 398.120 2.334 10 0 GEAERN CCn1cc(Br)cc1C(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000262698553 532598407 /nfs/dbraw/zinc/59/84/07/532598407.db2.gz HGOZYOGTXFLEFQ-UHFFFAOYSA-N 0 0 398.301 2.328 10 0 GEAERN CCn1cc(Br)cc1C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000262926376 532608026 /nfs/dbraw/zinc/60/80/26/532608026.db2.gz LOUDAEZPNFJJRI-CYBMUJFWSA-N 0 0 386.290 2.282 10 0 GEAERN CCNC(=O)[C@@H]1CCCN(c2ccc(F)cc2S(=O)(=O)C(F)(F)F)C1 ZINC000301207394 532744459 /nfs/dbraw/zinc/74/44/59/532744459.db2.gz ZUQORLXZIHUBPP-SNVBAGLBSA-N 0 0 382.379 2.472 10 0 GEAERN C[C@H](Nc1cnn(C)c(=O)c1Br)c1ccc(S(C)(=O)=O)cc1 ZINC000301253136 532745747 /nfs/dbraw/zinc/74/57/47/532745747.db2.gz SIIVFDHTOJNFTL-VIFPVBQESA-N 0 0 386.271 2.119 10 0 GEAERN NC(=O)CN1CCC(Nc2ccc3cc(Br)c(F)cc3n2)CC1 ZINC000301563605 532754829 /nfs/dbraw/zinc/75/48/29/532754829.db2.gz IYNILCMKHRGRTM-UHFFFAOYSA-N 0 0 381.249 2.498 10 0 GEAERN Cc1cscc1NC(=O)N1C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C1 ZINC000287101802 532783398 /nfs/dbraw/zinc/78/33/98/532783398.db2.gz MYHGYZDPUFDHDZ-MWLCHTKSSA-N 0 0 385.433 2.343 10 0 GEAERN NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc32)c(Cl)c1 ZINC000028580286 203786374 /nfs/dbraw/zinc/78/63/74/203786374.db2.gz OCGKGCSWUODRFP-UHFFFAOYSA-N 0 0 397.865 2.336 10 0 GEAERN C[NH2+]C[C@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3C(C)(C)C)C1 ZINC000032051758 203835466 /nfs/dbraw/zinc/83/54/66/203835466.db2.gz QWWHEXFNWMKGIL-LLVKDONJSA-N 0 0 376.432 2.035 10 0 GEAERN COc1ccc(-c2ccc3nnc(SCC(=O)NC[C@@H]4CCCO4)n3n2)cc1 ZINC000004376574 204042561 /nfs/dbraw/zinc/04/25/61/204042561.db2.gz SORLFANTFBTWNK-HNNXBMFYSA-N 0 0 399.476 2.187 10 0 GEAERN COc1ccc(OC)c(CNS(=O)(=O)c2ccc3[nH]c(=O)sc3c2)c1 ZINC000004875760 204085550 /nfs/dbraw/zinc/08/55/50/204085550.db2.gz AOZOXYHCXXAGSV-UHFFFAOYSA-N 0 0 380.447 2.085 10 0 GEAERN COc1c(N2CCC[C@H]([NH3+])C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21 ZINC000005141122 204114537 /nfs/dbraw/zinc/11/45/37/204114537.db2.gz RWZYKNVFWKZWDX-JTQLQIEISA-N 0 0 375.400 2.110 10 0 GEAERN Cn1c(SCc2cccnc2)nnc1[C@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 ZINC000004932484 204094089 /nfs/dbraw/zinc/09/40/89/204094089.db2.gz SDBUXHVCLZYRLJ-HOTGVXAUSA-N 0 0 387.509 2.387 10 0 GEAERN CCN(CC)C(=O)CS(=O)(=O)Cc1nc(-c2cccc(OC)c2)oc1C ZINC000005058450 204107996 /nfs/dbraw/zinc/10/79/96/204107996.db2.gz MWVNLJHIZPNCBW-UHFFFAOYSA-N 0 0 380.466 2.442 10 0 GEAERN O=C(CCc1nnc2n1c1ccccc1c(=O)n2Cc1ccccc1)NC1CC1 ZINC000006803077 204208815 /nfs/dbraw/zinc/20/88/15/204208815.db2.gz PJCZDSFGRFLDLH-UHFFFAOYSA-N 0 0 387.443 2.304 10 0 GEAERN CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC(c2ccccc2)=NO1 ZINC000006874544 204217262 /nfs/dbraw/zinc/21/72/62/204217262.db2.gz FGJMJVZPKRJJKY-WOJBJXKFSA-N 0 0 379.460 2.433 10 0 GEAERN COc1ccc(OC)c(NC(=O)CCS(=O)(=O)c2cccc3nonc32)c1 ZINC000006725067 204195622 /nfs/dbraw/zinc/19/56/22/204195622.db2.gz QFDFYVMFWGOUOJ-UHFFFAOYSA-N 0 0 391.405 2.043 10 0 GEAERN c1cnc(N2CCC[C@H]2c2nc(-c3ccnc(N4CCOCC4)c3)no2)nc1 ZINC000035425918 204196158 /nfs/dbraw/zinc/19/61/58/204196158.db2.gz NIMJYBKUQISGQY-HNNXBMFYSA-N 0 0 379.424 2.100 10 0 GEAERN COc1cccc(-n2c(=O)c3ccccc3n([C@@H](C)C(=O)NC3CC3)c2=O)c1 ZINC000006766356 204202334 /nfs/dbraw/zinc/20/23/34/204202334.db2.gz SITCTAMBBCDZQF-ZDUSSCGKSA-N 0 0 379.416 2.001 10 0 GEAERN O=C(CCS(=O)(=O)c1ccc2c(c1)NC(=O)CO2)Nc1cc(F)ccc1F ZINC000006893269 204221515 /nfs/dbraw/zinc/22/15/15/204221515.db2.gz WLKXQNIPAXESBY-UHFFFAOYSA-N 0 0 396.371 2.098 10 0 GEAERN CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCc1cccc(Cl)c1 ZINC000008583897 204280344 /nfs/dbraw/zinc/28/03/44/204280344.db2.gz JQNYEBMONLNLPW-UHFFFAOYSA-N 0 0 376.840 2.211 10 0 GEAERN O=C(CS(=O)(=O)c1cccc2nsnc21)NCc1ccccc1Cl ZINC000008600628 204281439 /nfs/dbraw/zinc/28/14/39/204281439.db2.gz DHNFJUJQICPCIM-UHFFFAOYSA-N 0 0 381.866 2.435 10 0 GEAERN COc1ccc(C(=O)[C@H](C)OC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000008667567 204283807 /nfs/dbraw/zinc/28/38/07/204283807.db2.gz WCVJTDJVHPUNCI-ZDUSSCGKSA-N 0 0 381.384 2.496 10 0 GEAERN COc1cccc([C@@H]2CN(C(=O)C3CCCC3)C[C@@H]2C(=O)N2CCOCC2)c1 ZINC000036045900 204301671 /nfs/dbraw/zinc/30/16/71/204301671.db2.gz OCVRYRRCILYJSO-PMACEKPBSA-N 0 0 386.492 2.286 10 0 GEAERN CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1nc2c(s1)CCCC2 ZINC000009514254 204313887 /nfs/dbraw/zinc/31/38/87/204313887.db2.gz JHRKLIKZNXVVIV-OAHLLOKOSA-N 0 0 391.518 2.347 10 0 GEAERN CC1(C)Cc2nc(N3CCC(O)CC3)ncc2[C@@H](NC(=O)c2ccccn2)C1 ZINC000011953964 204363667 /nfs/dbraw/zinc/36/36/67/204363667.db2.gz JYPPFECYADTSMG-KRWDZBQOSA-N 0 0 381.480 2.276 10 0 GEAERN CC1(C)Cc2nc(N3CCC(O)CC3)ncc2[C@H](NC(=O)c2ccccn2)C1 ZINC000011953959 204363752 /nfs/dbraw/zinc/36/37/52/204363752.db2.gz JYPPFECYADTSMG-QGZVFWFLSA-N 0 0 381.480 2.276 10 0 GEAERN Cc1csc(NC(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)n1 ZINC000012022598 204367445 /nfs/dbraw/zinc/36/74/45/204367445.db2.gz WFWKXWKOTLVLML-UHFFFAOYSA-N 0 0 379.463 2.406 10 0 GEAERN O=C(C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1)N1CCSCC1 ZINC000012049281 204368658 /nfs/dbraw/zinc/36/86/58/204368658.db2.gz LOJTVCTWTWJQRX-IBGZPJMESA-N 0 0 383.517 2.106 10 0 GEAERN O=C(NCCCO)c1cn([C@@H]2CCCN(Cc3c(F)cccc3Cl)C2)nn1 ZINC000012210149 204383999 /nfs/dbraw/zinc/38/39/99/204383999.db2.gz QPMPWGXTQNWAPP-CYBMUJFWSA-N 0 0 395.866 2.020 10 0 GEAERN Cc1nonc1C(=O)N1CCC[C@H](CCC(=O)N(C)CCc2ccccn2)C1 ZINC000019229258 204631644 /nfs/dbraw/zinc/63/16/44/204631644.db2.gz KFBQXBDRNINBBF-MRXNPFEDSA-N 0 0 385.468 2.107 10 0 GEAERN Cn1c2ccccc2n(CCC(=O)N[C@H]2CCCc3ccccc32)c(=O)c1=O ZINC000033272365 204955398 /nfs/dbraw/zinc/95/53/98/204955398.db2.gz JRDQAJVVMSMEBI-KRWDZBQOSA-N 0 0 377.444 2.284 10 0 GEAERN COc1cccc(-c2cc(C(=O)N3CCC[C@H]3C(=O)NC[C@@H]3CCCO3)no2)c1 ZINC000036002576 205001060 /nfs/dbraw/zinc/00/10/60/205001060.db2.gz XURCJMQSVHSGTO-WMZOPIPTSA-N 0 0 399.447 2.250 10 0 GEAERN COCCNC(=O)[C@@H]1CCCCN1C(=O)c1cc(-c2ccccc2OC)on1 ZINC000036001420 205001707 /nfs/dbraw/zinc/00/17/07/205001707.db2.gz HYWKQSGWSCIREL-INIZCTEOSA-N 0 0 387.436 2.108 10 0 GEAERN CC(C)C(=O)N1CCC([C@H](NC(=O)c2ccccc2)C(=O)N2CCCC2)CC1 ZINC000036157805 205007315 /nfs/dbraw/zinc/00/73/15/205007315.db2.gz FQOAQRGYUWTTJM-IBGZPJMESA-N 0 0 385.508 2.302 10 0 GEAERN CCOC(=O)[C@@H](C)n1cnc2c1c(=O)n(C(C)C)c(=O)n2-c1cccc(C)c1 ZINC000037558170 205028502 /nfs/dbraw/zinc/02/85/02/205028502.db2.gz DBOUIBWXYLFYFF-CQSZACIVSA-N 0 0 384.436 2.362 10 0 GEAERN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1F)C1CCN(C(C)=O)CC1 ZINC000040405057 205063585 /nfs/dbraw/zinc/06/35/85/205063585.db2.gz JCEWRJKKVPJOMC-UGSOOPFHSA-N 0 0 377.460 2.097 10 0 GEAERN O=C(Nc1ccccc1)c1nnc(CNS(=O)(=O)c2cccc(F)c2)s1 ZINC000064991702 205206494 /nfs/dbraw/zinc/20/64/94/205206494.db2.gz FDVHEWJGWHNLNO-UHFFFAOYSA-N 0 0 392.437 2.408 10 0 GEAERN Cc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(=O)N2CC(=O)N[C@H](C)c1ccccn1 ZINC000065306815 205228307 /nfs/dbraw/zinc/22/83/07/205228307.db2.gz PQSSRCOWKPUOIN-DNVCBOLYSA-N 0 0 392.459 2.219 10 0 GEAERN COc1ccc(NC(=O)c2cc3c(=O)n(C)c4ccccc4n3n2)c(OC)c1 ZINC000065292254 205228381 /nfs/dbraw/zinc/22/83/81/205228381.db2.gz QLDWAJSKFIYAJT-UHFFFAOYSA-N 0 0 378.388 2.456 10 0 GEAERN Cc1ccccc1-c1ncc(CN(CCO)[C@]2(C)CCS(=O)(=O)C2)s1 ZINC000065426330 205234987 /nfs/dbraw/zinc/23/49/87/205234987.db2.gz PTXMQUFVJSNIBM-GOSISDBHSA-N 0 0 380.535 2.490 10 0 GEAERN CCN(CC)C(=O)N1CC[C@]2(C1)CCCN(Cc1cnc(COC)nc1)C2 ZINC000067866818 205265150 /nfs/dbraw/zinc/26/51/50/205265150.db2.gz VMXNLGOHXLNOTB-HXUWFJFHSA-N 0 0 375.517 2.373 10 0 GEAERN O=C(/C=C\c1ccco1)OCn1nnc2ccc(Br)cc2c1=O ZINC000096503710 205567935 /nfs/dbraw/zinc/56/79/35/205567935.db2.gz SAZXBIFTPUQMLQ-XQRVVYSFSA-N 0 0 376.166 2.361 10 0 GEAERN Cc1cc(C)c2nc(-c3cn[nH]c3)cc(C(=O)N3CCS(=O)(=O)CC3)c2c1 ZINC000020210194 205921628 /nfs/dbraw/zinc/92/16/28/205921628.db2.gz MGYDRPQSFGBSBJ-UHFFFAOYSA-N 0 0 384.461 2.112 10 0 GEAERN CCNC(=O)NC[C@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O ZINC000096268972 206121326 /nfs/dbraw/zinc/12/13/26/206121326.db2.gz ARVSJGRROVRQQV-XYJFISCASA-N 0 0 377.416 2.251 10 0 GEAERN COc1ccc(O[C@H]2COCCN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 ZINC000096296497 206121678 /nfs/dbraw/zinc/12/16/78/206121678.db2.gz AHYZJXQGUXIDTD-GOSISDBHSA-N 0 0 393.461 2.172 10 0 GEAERN O=C(c1ccc2c(c1)OCO2)N1CCN2C(=O)N(Cc3ccccc3)C[C@H]2C1 ZINC000096269064 206121743 /nfs/dbraw/zinc/12/17/43/206121743.db2.gz LJEHFVRTPWYYRK-QGZVFWFLSA-N 0 0 379.416 2.178 10 0 GEAERN CNC(=O)[C@@H]1CN(C(=O)c2cccc(Br)c2)CC12CCOCC2 ZINC000096310224 206121929 /nfs/dbraw/zinc/12/19/29/206121929.db2.gz YAUBMWDOMNLTJY-AWEZNQCLSA-N 0 0 381.270 2.064 10 0 GEAERN O=C(N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)c1cc2c([nH]c1=O)CCC2 ZINC000253535784 206149704 /nfs/dbraw/zinc/14/97/04/206149704.db2.gz QEGJNPONTKHAQY-GQIGUUNPSA-N 0 0 380.444 2.453 10 0 GEAERN O=C(CCN1C(=O)c2ccccc2C1=O)Nc1nnc(-c2cccnc2)s1 ZINC000095116334 206214895 /nfs/dbraw/zinc/21/48/95/206214895.db2.gz RBAHZSXUOUWMKU-UHFFFAOYSA-N 0 0 379.401 2.225 10 0 GEAERN Cn1ccnc(N2CCC[C@H](NCc3sccc3Br)C2)c1=O ZINC000275655062 532880796 /nfs/dbraw/zinc/88/07/96/532880796.db2.gz UOLMRAQIWSURSU-NSHDSACASA-N 0 0 383.315 2.363 10 0 GEAERN CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(CCCS(C)(=O)=O)CC2 ZINC000276602772 532898362 /nfs/dbraw/zinc/89/83/62/532898362.db2.gz VPFQCJFPYCEORS-KRWDZBQOSA-N 0 0 384.567 2.386 10 0 GEAERN O=C([C@H]1CCc2n[nH]nc2C1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000367474976 532925433 /nfs/dbraw/zinc/92/54/33/532925433.db2.gz ATFBBWKJOBMSNM-BLLLJJGKSA-N 0 0 391.269 2.272 10 0 GEAERN NC(=O)c1cc2c(nc1N1CCC3(CC1)Nc1ccccc1NC3=O)CCC2 ZINC000082097949 136173488 /nfs/dbraw/zinc/17/34/88/136173488.db2.gz ZPPSFNLNPFYJNT-UHFFFAOYSA-N 0 0 377.448 2.072 10 0 GEAERN Nc1nc2nc[nH]c2c(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000095388648 136179000 /nfs/dbraw/zinc/17/90/00/136179000.db2.gz NDUVVXUSKRRWOE-UHFFFAOYSA-N 0 0 378.358 2.442 10 0 GEAERN C[C@@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1CCN(c2ccccn2)CC1 ZINC000096400080 136187102 /nfs/dbraw/zinc/18/71/02/136187102.db2.gz VAARRODQUKJTIO-OAHLLOKOSA-N 0 0 377.448 2.030 10 0 GEAERN CN(C)c1nc(N2CCOCC2)ncc1NC(=O)Cc1c[nH]c2ccccc12 ZINC000224360638 136207033 /nfs/dbraw/zinc/20/70/33/136207033.db2.gz ZTEJWOOHYBATMP-UHFFFAOYSA-N 0 0 380.452 2.042 10 0 GEAERN CC(=O)N1CCC([C@H](NC(=O)c2ccccc2C)C(=O)N2CCCCC2)CC1 ZINC000036208533 221846467 /nfs/dbraw/zinc/84/64/67/221846467.db2.gz ZTFXIRVHGGSVIN-FQEVSTJZSA-N 0 0 385.508 2.364 10 0 GEAERN CCC(=O)N1CCC([C@@H](NC(=O)c2ccc(C)cc2)C(=O)N2CCCC2)CC1 ZINC000036213463 221848371 /nfs/dbraw/zinc/84/83/71/221848371.db2.gz GMKSYPNIXOZDBD-HXUWFJFHSA-N 0 0 385.508 2.364 10 0 GEAERN CCCNc1cc(N2CCC[C@@H](CCC(=O)NCc3cnccn3)C2)ncn1 ZINC000065244925 535193013 /nfs/dbraw/zinc/19/30/13/535193013.db2.gz IYMHJADKGHPFQI-INIZCTEOSA-N 0 0 383.500 2.402 10 0 GEAERN CCCCS(=O)(=O)Nc1cnc(N2CCN(c3ccccc3)CC2)nc1 ZINC000224277847 535336141 /nfs/dbraw/zinc/33/61/41/535336141.db2.gz BSOHGCQUSZGVGP-UHFFFAOYSA-N 0 0 375.498 2.345 10 0 GEAERN COc1ccc(CCNC(=S)NNC(=S)Nc2cccnc2)c(OC)c1 ZINC000020247364 570249848 /nfs/dbraw/zinc/24/98/48/570249848.db2.gz LRCFKBGFZOWCTF-UHFFFAOYSA-N 0 0 391.522 2.007 10 0 GEAERN O=C(NCc1ccc(F)cc1)[C@@H]1[C@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@@H]1O3 ZINC000097964568 570261930 /nfs/dbraw/zinc/26/19/30/570261930.db2.gz VTHPLPGBZOZQLE-NTLWEQJWSA-N 0 0 398.459 2.486 10 0 GEAERN COC(=O)c1nn(C2CCOCC2)c(N)c1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000725254340 570272524 /nfs/dbraw/zinc/27/25/24/570272524.db2.gz HTEIKEZAHHGWJE-GFCCVEGCSA-N 0 0 394.472 2.328 10 0 GEAERN CCCCn1nc(C(=O)OC)c([C@@H]2COCCN2C(=O)OC(C)(C)C)c1N ZINC000725254396 570272955 /nfs/dbraw/zinc/27/29/55/570272955.db2.gz NDLMMAHXVLIJAT-LBPRGKRZSA-N 0 0 382.461 2.360 10 0 GEAERN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)Nc1ccc(CO)cc1 ZINC000218897857 570343140 /nfs/dbraw/zinc/34/31/40/570343140.db2.gz AWZITSKTOAURSJ-BBRMVZONSA-N 0 0 393.484 2.171 10 0 GEAERN CCn1c(=O)c(N2CCC(C(=O)NCc3cccs3)CC2)nc2cccnc21 ZINC000033006171 570619318 /nfs/dbraw/zinc/61/93/18/570619318.db2.gz RFBQCQBANYZHHZ-UHFFFAOYSA-N 0 0 397.504 2.406 10 0 GEAERN CC(C)CN1CCn2cc(C(=O)NCCN3CCc4ccccc4C3)nc2C1 ZINC000096396419 570642091 /nfs/dbraw/zinc/64/20/91/570642091.db2.gz UHLAUICYYWEVJW-UHFFFAOYSA-N 0 0 381.524 2.143 10 0 GEAERN O=C(NC[C@@H]1CCCO1)C1CCC(CNS(=O)(=O)c2ccccc2)CC1 ZINC000003053866 570680351 /nfs/dbraw/zinc/68/03/51/570680351.db2.gz RECDTTXNTYEKHE-JCYILVPMSA-N 0 0 380.510 2.067 10 0 GEAERN CCc1noc2ncc(S(=O)(=O)N3C[C@H](CO)[C@H](c4ccsc4)C3)cc12 ZINC000188877070 570732223 /nfs/dbraw/zinc/73/22/23/570732223.db2.gz BXBYBMXHTJWBPX-DOMZBBRYSA-N 0 0 393.490 2.243 10 0 GEAERN COCCN(C)c1cnn([C@@H]2CCCN(Cc3cccnc3Cl)C2)c(=O)c1 ZINC000583618297 570800426 /nfs/dbraw/zinc/80/04/26/570800426.db2.gz LDXOPDCOWLKTIQ-MRXNPFEDSA-N 0 0 391.903 2.211 10 0 GEAERN O=C1COCCN1c1ccc(Br)c(I)c1 ZINC000725244802 571034505 /nfs/dbraw/zinc/03/45/05/571034505.db2.gz XUSOGHQFQKLUJP-UHFFFAOYSA-N 0 0 381.995 2.417 10 0 GEAERN CO[C@H]1C[C@@H](CO)N(C(=O)c2scc(Br)c2Br)C1 ZINC000529320262 650702728 /nfs/dbraw/zinc/70/27/28/650702728.db2.gz FXHFKTDXHMEQEU-BQBZGAKWSA-N 0 0 399.104 2.495 10 0 GEAERN CC(C)c1ccc([C@@H](C)NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)cc1 ZINC000029427353 642463419 /nfs/dbraw/zinc/46/34/19/642463419.db2.gz JXGXUCVPMKCBJU-LLVKDONJSA-N 0 0 394.269 2.300 10 0 GEAERN O=C(N1CCC(CNS(=O)(=O)/C=C/c2ccccc2)CC1)C(F)(F)F ZINC000043961091 642567092 /nfs/dbraw/zinc/56/70/92/642567092.db2.gz IKKQNOOBRKOVPQ-DHZHZOJOSA-N 0 0 376.400 2.378 10 0 GEAERN NS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000045614262 642592077 /nfs/dbraw/zinc/59/20/77/642592077.db2.gz VIEFJEGCHVDCGF-RKDXNWHRSA-N 0 0 385.433 2.316 10 0 GEAERN CC(=O)N[C@@H]1CCCN(C(=O)c2cccc(C)c2I)C1 ZINC000048607660 642655911 /nfs/dbraw/zinc/65/59/11/642655911.db2.gz KHANEJSYOIFEIQ-GFCCVEGCSA-N 0 0 386.233 2.340 10 0 GEAERN C[C@@H](NC(=O)C(=O)Nc1cccc(C(N)=O)c1)c1ccccc1Br ZINC000048809383 642662647 /nfs/dbraw/zinc/66/26/47/642662647.db2.gz ILJWZLNDMZNCIY-SNVBAGLBSA-N 0 0 390.237 2.364 10 0 GEAERN C[C@H](CNC(=O)c1[nH]nc(-c2ccccc2)c1Br)N1CCOCC1 ZINC000068437132 642996876 /nfs/dbraw/zinc/99/68/76/642996876.db2.gz CJXBAWUCDSSWJQ-GFCCVEGCSA-N 0 0 393.285 2.290 10 0 GEAERN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H](C)NC(N)=O ZINC000070670245 643051563 /nfs/dbraw/zinc/05/15/63/643051563.db2.gz HTQJQQWTZONLHG-SECBINFHSA-N 0 0 375.256 2.227 10 0 GEAERN Cc1nn(Cc2ccccc2Cl)c(Cl)c1[C@H]1NC(=O)[C@H]2COCCN21 ZINC000093884843 643081619 /nfs/dbraw/zinc/08/16/19/643081619.db2.gz NTLUPYNNIKKLDI-CJNGLKHVSA-N 0 0 381.263 2.376 10 0 GEAERN COc1ccc(Br)cc1S(=O)(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000096846142 643091196 /nfs/dbraw/zinc/09/11/96/643091196.db2.gz WZULYXBGYKDSKS-JQWIXIFHSA-N 0 0 378.288 2.287 10 0 GEAERN COC(=O)[C@@H](C)CN(C1CC1)S(=O)(=O)c1sccc1Br ZINC000102660539 643131926 /nfs/dbraw/zinc/13/19/26/643131926.db2.gz CIZLXKCQMPYPMC-QMMMGPOBSA-N 0 0 382.301 2.473 10 0 GEAERN CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000102812509 643140752 /nfs/dbraw/zinc/14/07/52/643140752.db2.gz FVRGEYJLGSNONO-GXFFZTMASA-N 0 0 385.258 2.470 10 0 GEAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000103160208 643157938 /nfs/dbraw/zinc/15/79/38/643157938.db2.gz DRVUZNLTCBEGNO-MRVPVSSYSA-N 0 0 398.225 2.301 10 0 GEAERN C[C@H](NC(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1)c1ccc(Cl)s1 ZINC000103509284 643169311 /nfs/dbraw/zinc/16/93/11/643169311.db2.gz GSHPOKQIBUQEHS-RYUDHWBXSA-N 0 0 384.933 2.457 10 0 GEAERN C[C@@H](NC(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1)c1ccc(Cl)s1 ZINC000103509285 643169477 /nfs/dbraw/zinc/16/94/77/643169477.db2.gz GSHPOKQIBUQEHS-NEPJUHHUSA-N 0 0 384.933 2.457 10 0 GEAERN CN1CCO[C@H](CNC(=O)NCC(C)(C)c2ccc(Br)cc2)C1 ZINC000104783613 643194278 /nfs/dbraw/zinc/19/42/78/643194278.db2.gz FTBADXFGCRSOQX-OAHLLOKOSA-N 0 0 384.318 2.357 10 0 GEAERN COCCN1CCN(CC(=O)Nc2ccc(Br)cc2C)C[C@H]1C ZINC000106110029 643223433 /nfs/dbraw/zinc/22/34/33/643223433.db2.gz CLBKZOVFWWUHLW-CQSZACIVSA-N 0 0 384.318 2.349 10 0 GEAERN CC(=O)N[C@H]1CCCN(C(=O)c2csc(I)c2)C1 ZINC000107454642 643256167 /nfs/dbraw/zinc/25/61/67/643256167.db2.gz APUTZBBBCJLULB-JTQLQIEISA-N 0 0 378.235 2.093 10 0 GEAERN Cc1ccc(N2CCCN(C(=O)c3ccc(Br)cn3)CC2)nn1 ZINC000109634870 643298637 /nfs/dbraw/zinc/29/86/37/643298637.db2.gz GLTAZGDPVIPKFK-UHFFFAOYSA-N 0 0 376.258 2.295 10 0 GEAERN Cn1cc(CN2CCCN(C(=O)c3cc(Br)ccc3O)CC2)cn1 ZINC000109655510 643299140 /nfs/dbraw/zinc/29/91/40/643299140.db2.gz CUVCECWYPCLOFC-UHFFFAOYSA-N 0 0 393.285 2.236 10 0 GEAERN CSc1ccc(S(=O)(=O)N2CCO[C@@H](Cn3nc(C)cc3C)C2)cc1 ZINC000111344843 643335417 /nfs/dbraw/zinc/33/54/17/643335417.db2.gz NHAGPUVTHIYQEI-OAHLLOKOSA-N 0 0 381.523 2.312 10 0 GEAERN Cc1noc([C@H](C)N2CCN(S(=O)(=O)c3cccc(Cl)c3C)CC2)n1 ZINC000111344545 643335484 /nfs/dbraw/zinc/33/54/84/643335484.db2.gz SNORGBIRDAEELY-LBPRGKRZSA-N 0 0 384.889 2.407 10 0 GEAERN CCc1csc([C@H]2CCCN(C(=O)[C@H]3CCCCN3S(C)(=O)=O)C2)n1 ZINC000113204221 643385675 /nfs/dbraw/zinc/38/56/75/643385675.db2.gz HJLMRQMLQXTAAA-DZGCQCFKSA-N 0 0 385.555 2.226 10 0 GEAERN CCn1cnnc1C1CCN(C(=O)c2cc(I)c[nH]2)CC1 ZINC000115372652 643437820 /nfs/dbraw/zinc/43/78/20/643437820.db2.gz IYEBEUNZHGIMOM-UHFFFAOYSA-N 0 0 399.236 2.251 10 0 GEAERN Cn1cc([C@@H]2CCN(S(=O)(=O)c3cc(Br)ccc3F)C2)cn1 ZINC000116371258 643461785 /nfs/dbraw/zinc/46/17/85/643461785.db2.gz ACVPOUSZRBATBS-SNVBAGLBSA-N 0 0 388.262 2.500 10 0 GEAERN Cn1cc([C@H]2CCN(C(=O)C(=O)Nc3ccccc3Br)C2)cn1 ZINC000116586354 643465529 /nfs/dbraw/zinc/46/55/29/643465529.db2.gz NVMUHUCBFBQSQN-NSHDSACASA-N 0 0 377.242 2.137 10 0 GEAERN Cn1cc([C@@H]2CCN(C(=O)C(=O)Nc3ccc(Br)cc3)C2)cn1 ZINC000116588182 643465708 /nfs/dbraw/zinc/46/57/08/643465708.db2.gz YUFYJLPRQCCREG-LLVKDONJSA-N 0 0 377.242 2.137 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)c2cc(F)c(F)cc2F)C[C@H]1CC ZINC000116898955 643474905 /nfs/dbraw/zinc/47/49/05/643474905.db2.gz AYADKFFRNOTXBL-GFCCVEGCSA-N 0 0 380.432 2.225 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)c2cc(F)c(F)cc2F)C[C@@H]1CC ZINC000116898957 643475138 /nfs/dbraw/zinc/47/51/38/643475138.db2.gz AYADKFFRNOTXBL-LBPRGKRZSA-N 0 0 380.432 2.225 10 0 GEAERN COCCN1CCN(S(=O)(=O)c2ccc(C)cc2Br)C[C@H]1C ZINC000117369541 643489454 /nfs/dbraw/zinc/48/94/54/643489454.db2.gz JGMJXRIXTPRNCQ-CYBMUJFWSA-N 0 0 391.331 2.099 10 0 GEAERN CC[C@@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CCN1CCOC ZINC000117372386 643490655 /nfs/dbraw/zinc/49/06/55/643490655.db2.gz HTEZTPIVULUCEB-CYBMUJFWSA-N 0 0 380.432 2.437 10 0 GEAERN Cc1cnn(CCNC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)c1 ZINC000117818629 643500062 /nfs/dbraw/zinc/50/00/62/643500062.db2.gz OZZLSOJRWCZXKK-CYBMUJFWSA-N 0 0 391.269 2.123 10 0 GEAERN COc1cc(CNC(=O)NCCn2cc(C)cn2)cc(Br)c1OC ZINC000118068309 643504175 /nfs/dbraw/zinc/50/41/75/643504175.db2.gz JDVFEQVHGCAXHG-UHFFFAOYSA-N 0 0 397.273 2.471 10 0 GEAERN C[C@H](NC(=O)NCCNS(=O)(=O)c1cccs1)c1ccc(F)c(F)c1 ZINC000119647926 643563652 /nfs/dbraw/zinc/56/36/52/643563652.db2.gz ZMCVUTQENRKGKF-JTQLQIEISA-N 0 0 389.449 2.365 10 0 GEAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCc1ccc(Cl)s1 ZINC000120408992 643605373 /nfs/dbraw/zinc/60/53/73/643605373.db2.gz LZQUHOKCCNSCAX-SNVBAGLBSA-N 0 0 397.909 2.187 10 0 GEAERN CN1CCO[C@@H](CNC(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000120466570 643609265 /nfs/dbraw/zinc/60/92/65/643609265.db2.gz XPSSEPFGXFBLLQ-KBPBESRZSA-N 0 0 388.295 2.487 10 0 GEAERN Cc1ncsc1CCOC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000121293649 643630706 /nfs/dbraw/zinc/63/07/06/643630706.db2.gz IKSXDMKQFKWZSG-HNNXBMFYSA-N 0 0 380.491 2.391 10 0 GEAERN CC(C)c1cnc(NC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)s1 ZINC000126160577 643723109 /nfs/dbraw/zinc/72/31/09/643723109.db2.gz UQIWLEYEPSLMMH-SNVBAGLBSA-N 0 0 378.479 2.332 10 0 GEAERN Cc1ccc(-n2nc(Br)cc2C(=O)NC[C@H]2CN(C)CCO2)cc1 ZINC000130273986 643833188 /nfs/dbraw/zinc/83/31/88/643833188.db2.gz KUZLLBMZURPMJC-AWEZNQCLSA-N 0 0 393.285 2.004 10 0 GEAERN C[C@@H](OC(=O)CN1CCCS1(=O)=O)c1ccc(Br)cc1F ZINC000131163712 643867166 /nfs/dbraw/zinc/86/71/66/643867166.db2.gz OMLHYYIMZLZURV-SECBINFHSA-N 0 0 380.235 2.228 10 0 GEAERN CCOC(=O)[C@@H](N[C@H]1CCc2ncnn2C1)c1ccc(Br)cc1F ZINC000132970802 643890391 /nfs/dbraw/zinc/89/03/91/643890391.db2.gz QWFQEJDIYJEOEW-NHYWBVRUSA-N 0 0 397.248 2.389 10 0 GEAERN O=C(OC[C@@H]1CC(=O)N(C2CC2)C1)[C@H]1COc2ccc(Br)cc21 ZINC000133074915 643891667 /nfs/dbraw/zinc/89/16/67/643891667.db2.gz BQKROLAAWPABFI-YGRLFVJLSA-N 0 0 380.238 2.479 10 0 GEAERN Brc1cccc2c1cnn2CN1CCO[C@@H](Cn2cccn2)C1 ZINC000152796316 643973986 /nfs/dbraw/zinc/97/39/86/643973986.db2.gz FDCQKPSXULOOFE-CYBMUJFWSA-N 0 0 376.258 2.354 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)Cc3cc(F)ccc3Br)CCO2)[nH]1 ZINC000153223750 643981696 /nfs/dbraw/zinc/98/16/96/643981696.db2.gz CGFBKKXGJYTSQY-CYBMUJFWSA-N 0 0 383.221 2.157 10 0 GEAERN CCc1ccc(C(=O)N2CCO[C@H](c3nccs3)C2)cc1S(C)(=O)=O ZINC000153835042 644007493 /nfs/dbraw/zinc/00/74/93/644007493.db2.gz KMRUXBQLZGETSI-AWEZNQCLSA-N 0 0 380.491 2.323 10 0 GEAERN CCc1ccc(C(=O)N2CCO[C@@H](c3nccs3)C2)cc1S(C)(=O)=O ZINC000153835142 644007611 /nfs/dbraw/zinc/00/76/11/644007611.db2.gz KMRUXBQLZGETSI-CQSZACIVSA-N 0 0 380.491 2.323 10 0 GEAERN Brc1cc2c(c(CN3CCO[C@H](Cn4cccn4)C3)c1)OCC2 ZINC000153875562 644009198 /nfs/dbraw/zinc/00/91/98/644009198.db2.gz TURRKBKORHBNFX-INIZCTEOSA-N 0 0 378.270 2.482 10 0 GEAERN C[C@H](NC(=O)NC[C@@H]1CCCS1(=O)=O)c1ccccc1Br ZINC000156550043 644102486 /nfs/dbraw/zinc/10/24/86/644102486.db2.gz PZTMSHJPAPJLHO-QWRGUYRKSA-N 0 0 375.288 2.387 10 0 GEAERN COc1cc(NC(=O)C(=O)N[C@H](C)c2ccccc2Br)ncn1 ZINC000156773099 644116659 /nfs/dbraw/zinc/11/66/59/644116659.db2.gz DCOUIKRQFDUIRZ-SECBINFHSA-N 0 0 379.214 2.064 10 0 GEAERN COC(=O)c1cc(S(=O)(=O)N2CC[C@H](c3cnn(C)c3)C2)ccc1Cl ZINC000156835573 644120520 /nfs/dbraw/zinc/12/05/20/644120520.db2.gz GEWYQRILQFYTKO-NSHDSACASA-N 0 0 383.857 2.038 10 0 GEAERN CC(C)[C@H](O)CC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000158539337 644148905 /nfs/dbraw/zinc/14/89/05/644148905.db2.gz DMXASWAIRRTTPC-GFCCVEGCSA-N 0 0 394.946 2.032 10 0 GEAERN CC(C)c1nn(C)c(Cl)c1C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000158602332 644151055 /nfs/dbraw/zinc/15/10/55/644151055.db2.gz ZTIDGTJEWNXWHD-SNVBAGLBSA-N 0 0 384.889 2.335 10 0 GEAERN CC[C@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCN1CCOC ZINC000158929774 644168389 /nfs/dbraw/zinc/16/83/89/644168389.db2.gz MLVPDJHWYJMCRD-NSHDSACASA-N 0 0 382.313 2.120 10 0 GEAERN O=C(c1cc(Cn2cc(Br)cn2)on1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000158984430 644170627 /nfs/dbraw/zinc/17/06/27/644170627.db2.gz MOJNNTBTDZZILJ-GJZGRUSLSA-N 0 0 395.257 2.466 10 0 GEAERN Cn1nccc1C1CCN(S(=O)(=O)c2c(Cl)nc3ccccn32)CC1 ZINC000159319266 644186914 /nfs/dbraw/zinc/18/69/14/644186914.db2.gz GBPWSXPSURAGRP-UHFFFAOYSA-N 0 0 379.873 2.290 10 0 GEAERN O=C(COc1ccccc1Br)N1CCC[C@@H](Cn2cncn2)C1 ZINC000162514380 644238352 /nfs/dbraw/zinc/23/83/52/644238352.db2.gz MMAPGTLLDCFOBI-CYBMUJFWSA-N 0 0 379.258 2.358 10 0 GEAERN Cc1[nH]c(=O)c(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)cc1Br ZINC000164240343 644261163 /nfs/dbraw/zinc/26/11/63/644261163.db2.gz IYFHMDWWWKJAIK-LLVKDONJSA-N 0 0 392.257 2.047 10 0 GEAERN O[C@]12CCCC[C@H]1CN(Cn1nc(Br)nc1Br)CC2 ZINC000164949068 644269278 /nfs/dbraw/zinc/26/92/78/644269278.db2.gz XVQKMFYOSYHFBI-CABZTGNLSA-N 0 0 394.111 2.388 10 0 GEAERN O=C(c1cc(Br)c2c(c1)OCCO2)N1CCC[C@@H](n2cncn2)C1 ZINC000170898378 644295829 /nfs/dbraw/zinc/29/58/29/644295829.db2.gz PDHPGMQOCHGDQE-GFCCVEGCSA-N 0 0 393.241 2.289 10 0 GEAERN CCOc1ccnc(N2CCN(Cc3cncc(Br)c3)CC2)n1 ZINC000170943440 644297325 /nfs/dbraw/zinc/29/73/25/644297325.db2.gz OONLOSTYZUNSLO-UHFFFAOYSA-N 0 0 378.274 2.355 10 0 GEAERN COc1cccc(S(=O)(=O)CCN2CCO[C@@H](c3nc(C)cs3)C2)c1 ZINC000171037397 644303002 /nfs/dbraw/zinc/30/30/02/644303002.db2.gz LBUWWLLDUUUGLL-MRXNPFEDSA-N 0 0 382.507 2.307 10 0 GEAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1ccc(Br)cn1 ZINC000171364827 644319697 /nfs/dbraw/zinc/31/96/97/644319697.db2.gz DHQUBLGXMPEZNF-LBPRGKRZSA-N 0 0 381.251 2.493 10 0 GEAERN C[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)CCS1 ZINC000171575358 644328137 /nfs/dbraw/zinc/32/81/37/644328137.db2.gz MMKGLRYAOLVJHA-AWEZNQCLSA-N 0 0 378.519 2.472 10 0 GEAERN C[C@H](C(=O)Nc1ccc(Br)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000172806754 644344774 /nfs/dbraw/zinc/34/47/74/644344774.db2.gz AYLDZVYRBRJBQT-CJNGLKHVSA-N 0 0 382.302 2.183 10 0 GEAERN Cc1cc(Br)ccc1NC(=O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000172806333 644344916 /nfs/dbraw/zinc/34/49/16/644344916.db2.gz MCWOIBWRDZYITH-OAHLLOKOSA-N 0 0 382.302 2.103 10 0 GEAERN CCc1nnc([C@H]2CN(C(=O)c3[nH]nc(C(C)C)c3Br)CCO2)[nH]1 ZINC000173093622 644351030 /nfs/dbraw/zinc/35/10/30/644351030.db2.gz YCMGCLRLYXWXSN-SECBINFHSA-N 0 0 397.277 2.190 10 0 GEAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCc2nn(C)c(=O)cc2C1 ZINC000174451519 644375916 /nfs/dbraw/zinc/37/59/16/644375916.db2.gz TZWJBIADCZMQFU-SNVBAGLBSA-N 0 0 382.247 2.439 10 0 GEAERN Cc1cc(N2CCC[C@H](NC(=O)NCc3ccc(Cl)s3)C2=O)n(C)n1 ZINC000174800084 644382812 /nfs/dbraw/zinc/38/28/12/644382812.db2.gz PQHBAEOYASWTHW-LBPRGKRZSA-N 0 0 381.889 2.438 10 0 GEAERN C[C@H](NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)c1ccc(F)c(Cl)c1 ZINC000175792733 644393447 /nfs/dbraw/zinc/39/34/47/644393447.db2.gz LIIWAAOCOITDEJ-VFZGTOFNSA-N 0 0 383.832 2.386 10 0 GEAERN O=C(NC[C@H]1CCCC[C@H]1O)c1ccc2ncc(I)n2c1 ZINC000176852794 644406018 /nfs/dbraw/zinc/40/60/18/644406018.db2.gz VHNYJCVLOABGEP-ZYHUDNBSSA-N 0 0 399.232 2.220 10 0 GEAERN O=C(Nc1c(F)cc(Br)cc1F)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000177551068 644417090 /nfs/dbraw/zinc/41/70/90/644417090.db2.gz RICZELUIFYKSGZ-QPUJVOFHSA-N 0 0 391.212 2.333 10 0 GEAERN Cc1ccc(C(=O)N[C@@H]2CCCn3ncnc32)cc1I ZINC000177556509 644417823 /nfs/dbraw/zinc/41/78/23/644417823.db2.gz XKKXCPAMXMMPFY-GFCCVEGCSA-N 0 0 382.205 2.456 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)CC2 ZINC000177639850 644421553 /nfs/dbraw/zinc/42/15/53/644421553.db2.gz KBHLANCGZLQPMY-SNVBAGLBSA-N 0 0 382.251 2.217 10 0 GEAERN CNC(=O)[C@H](NC(=O)N1CCO[C@H](c2ccccc2Br)C1)C(C)C ZINC000178417376 644432887 /nfs/dbraw/zinc/43/28/87/644432887.db2.gz FRSPOJOEUAYFLE-LSDHHAIUSA-N 0 0 398.301 2.303 10 0 GEAERN C[C@@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1)c1cccs1 ZINC000178813823 644440745 /nfs/dbraw/zinc/44/07/45/644440745.db2.gz YHJXUKBIPSPDKU-SECBINFHSA-N 0 0 378.472 2.298 10 0 GEAERN CC(=O)c1cc(S(=O)(=O)N[C@H](C)[C@H]2CCCO2)ccc1Br ZINC000180169894 644492719 /nfs/dbraw/zinc/49/27/19/644492719.db2.gz BRKHCWGIIWLRAH-YMTOWFKASA-N 0 0 376.272 2.498 10 0 GEAERN CC(=O)c1cc(S(=O)(=O)NCCn2cc(C)cn2)ccc1Br ZINC000180309391 644499950 /nfs/dbraw/zinc/49/99/50/644499950.db2.gz MFEJHGNZVRQMHB-UHFFFAOYSA-N 0 0 386.271 2.135 10 0 GEAERN CC(C)c1nnc2n1C[C@H](NS(=O)(=O)c1cnc(Cl)c(Cl)c1)CC2 ZINC000181723963 644944893 /nfs/dbraw/zinc/94/48/93/644944893.db2.gz LFCKCKKUBCPJPE-SECBINFHSA-N 0 0 390.296 2.397 10 0 GEAERN CC[C@@H](O)CN1CCN(C(=O)N[C@H](C)Cc2ccccc2Br)CC1 ZINC000181986393 644953966 /nfs/dbraw/zinc/95/39/66/644953966.db2.gz RHEAPJKWQAADAT-GDBMZVCRSA-N 0 0 398.345 2.478 10 0 GEAERN CC[C@H](O)CN1CCN(S(=O)(=O)c2ccc(SC(F)(F)F)cc2)CC1 ZINC000182406520 644962857 /nfs/dbraw/zinc/96/28/57/644962857.db2.gz QJSVNOAXXJNSEP-LBPRGKRZSA-N 0 0 398.472 2.376 10 0 GEAERN O=C(NCCNc1cccc(Br)c1)N[C@H]1CCCn2ncnc21 ZINC000183238847 644988440 /nfs/dbraw/zinc/98/84/40/644988440.db2.gz JWFMWWADBIDWAW-ZDUSSCGKSA-N 0 0 379.262 2.287 10 0 GEAERN O=C(NCCNc1cccc(Br)c1)N[C@@H]1CCCn2ncnc21 ZINC000183238829 644988457 /nfs/dbraw/zinc/98/84/57/644988457.db2.gz JWFMWWADBIDWAW-CYBMUJFWSA-N 0 0 379.262 2.287 10 0 GEAERN CN1CCO[C@H](CNC(=O)NCCOCc2ccc(Cl)cc2Cl)C1 ZINC000183561844 644997623 /nfs/dbraw/zinc/99/76/23/644997623.db2.gz XQCKOFOHVLASST-CQSZACIVSA-N 0 0 376.284 2.140 10 0 GEAERN C#C[C@H](C)OC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000183632499 645000751 /nfs/dbraw/zinc/00/07/51/645000751.db2.gz XYTPENUTWKOZKN-BBRMVZONSA-N 0 0 375.471 2.429 10 0 GEAERN CCO[C@@H]1C[C@H](NS(=O)(=O)Cc2c(F)cccc2F)C12CCOCC2 ZINC000185157210 645037555 /nfs/dbraw/zinc/03/75/55/645037555.db2.gz HVBPPAWSQIHKQK-JKSUJKDBSA-N 0 0 375.437 2.358 10 0 GEAERN Cc1cc(N2CC[C@H](NC(=O)C[C@H](O)C(C)C)C2=O)ccc1Br ZINC000185414521 645044134 /nfs/dbraw/zinc/04/41/34/645044134.db2.gz GJDAEVMZFQQJKC-GJZGRUSLSA-N 0 0 383.286 2.386 10 0 GEAERN C[C@H](OC(=O)[C@H]1CCCN1S(C)(=O)=O)c1ccccc1Br ZINC000186090299 645060079 /nfs/dbraw/zinc/06/00/79/645060079.db2.gz QLPUSXYJJWGLNN-GXFFZTMASA-N 0 0 376.272 2.477 10 0 GEAERN O=C(NC1CN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1)C1CCC1 ZINC000186185738 645063045 /nfs/dbraw/zinc/06/30/45/645063045.db2.gz CKISMKHSUDGQNM-UHFFFAOYSA-N 0 0 377.293 2.424 10 0 GEAERN Cc1nc(-c2ccc(S(=O)(=O)N3CC(NC(=O)C4CCC4)C3)s2)cs1 ZINC000186188423 645063468 /nfs/dbraw/zinc/06/34/68/645063468.db2.gz NOPGJXNDXUIEDJ-UHFFFAOYSA-N 0 0 397.547 2.469 10 0 GEAERN O=C(NC1CN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)C1)C1CCC1 ZINC000186187875 645063492 /nfs/dbraw/zinc/06/34/92/645063492.db2.gz MBOJYNOYLLPJRP-UHFFFAOYSA-N 0 0 394.827 2.231 10 0 GEAERN CSc1ccccc1S(=O)(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000187194125 645085300 /nfs/dbraw/zinc/08/53/00/645085300.db2.gz RXGRCUAGRMRSEW-HNNXBMFYSA-N 0 0 381.523 2.312 10 0 GEAERN Cc1ccc(C(=O)N2CC(NC(=O)C3CCC3)C2)cc1I ZINC000188545597 645117949 /nfs/dbraw/zinc/11/79/49/645117949.db2.gz RBLONKGSUBEYPB-UHFFFAOYSA-N 0 0 398.244 2.340 10 0 GEAERN CC[C@@H](O)CN1CCN(C(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000192115193 645194852 /nfs/dbraw/zinc/19/48/52/645194852.db2.gz GCBMWVKCTRQTEM-SNVBAGLBSA-N 0 0 377.229 2.256 10 0 GEAERN Cc1noc([C@@H](C)N2CCN(C(=O)c3ncc(Br)s3)CC2)n1 ZINC000192419014 645203958 /nfs/dbraw/zinc/20/39/58/645203958.db2.gz MQZVRSOVTZDZLO-MRVPVSSYSA-N 0 0 386.275 2.116 10 0 GEAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3ncc(Br)s3)CCO2)n1 ZINC000192419020 645204415 /nfs/dbraw/zinc/20/44/15/645204415.db2.gz SRCJYMWFVNMITK-LLVKDONJSA-N 0 0 385.287 2.260 10 0 GEAERN Cc1nc(NC(=O)C(=O)N2CCC[C@@H]2c2cnn(C)c2)ccc1Br ZINC000193192247 645249865 /nfs/dbraw/zinc/24/98/65/645249865.db2.gz WUIJCARPMCKDKP-CYBMUJFWSA-N 0 0 392.257 2.188 10 0 GEAERN Cc1nc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)ccc1Br ZINC000193576669 645286025 /nfs/dbraw/zinc/28/60/25/645286025.db2.gz RALJXIQFALNJDP-PXAZEXFGSA-N 0 0 396.285 2.245 10 0 GEAERN CC(C)C[C@H](CN(C)C)NC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000193770114 645297484 /nfs/dbraw/zinc/29/74/84/645297484.db2.gz MTXOXBHYYAPOGN-OAHLLOKOSA-N 0 0 389.949 2.389 10 0 GEAERN Cc1csc([C@H]2CN(C(=O)NCCCN(C)CC(F)(F)F)CCO2)n1 ZINC000194074397 645311193 /nfs/dbraw/zinc/31/11/93/645311193.db2.gz TYNJCVVKPGDYHZ-GFCCVEGCSA-N 0 0 380.436 2.419 10 0 GEAERN Cc1csc([C@@H]2CN(C(=O)NCCNC(=O)c3cccs3)CCO2)n1 ZINC000194072840 645311445 /nfs/dbraw/zinc/31/14/45/645311445.db2.gz RNCOACITDAEUDN-LBPRGKRZSA-N 0 0 380.495 2.026 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1Cc3cc(Br)ccc3O1)CC2 ZINC000194317182 645321086 /nfs/dbraw/zinc/32/10/86/645321086.db2.gz MRDISVNZWRTUHV-JSGCOSHPSA-N 0 0 391.269 2.038 10 0 GEAERN CNC(=O)Cn1cc(NC(=O)N[C@@H](C)c2cccc(Br)c2)cn1 ZINC000194438689 645327668 /nfs/dbraw/zinc/32/76/68/645327668.db2.gz MBDUZQWADNXABS-JTQLQIEISA-N 0 0 380.246 2.274 10 0 GEAERN C[C@H](NC(=O)CCN1CCCS1(=O)=O)c1ccccc1Br ZINC000194446521 645328445 /nfs/dbraw/zinc/32/84/45/645328445.db2.gz VMFYZNOMKPXIGV-NSHDSACASA-N 0 0 375.288 2.052 10 0 GEAERN CN1CCO[C@@H](CNC(=O)c2cc(Cl)ccc2I)C1 ZINC000194610129 645337179 /nfs/dbraw/zinc/33/71/79/645337179.db2.gz DKGWAFPORQPWGZ-JTQLQIEISA-N 0 0 394.640 2.005 10 0 GEAERN CN1CCO[C@H](CNC(=O)c2c3c(sc2-n2cccc2)CSCC3)C1 ZINC000194725125 645345081 /nfs/dbraw/zinc/34/50/81/645345081.db2.gz PCTXDGCKWNRQIM-CYBMUJFWSA-N 0 0 377.535 2.389 10 0 GEAERN CCN1CCC[C@@H](NC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C1 ZINC000195026974 645355374 /nfs/dbraw/zinc/35/53/74/645355374.db2.gz FHLDRXUQPSVOOQ-GFCCVEGCSA-N 0 0 389.315 2.067 10 0 GEAERN C[C@@H](Cn1cc(Cl)cn1)C(=O)N1CCn2c(nnc2C(F)(F)F)[C@H]1C ZINC000223502335 645387048 /nfs/dbraw/zinc/38/70/48/645387048.db2.gz PAWDSYQXSVQLIA-DTWKUNHWSA-N 0 0 376.770 2.386 10 0 GEAERN C[C@H](Cn1cc(Cl)cn1)C(=O)N1CCn2c(nnc2C(F)(F)F)[C@@H]1C ZINC000223502294 645387092 /nfs/dbraw/zinc/38/70/92/645387092.db2.gz PAWDSYQXSVQLIA-BDAKNGLRSA-N 0 0 376.770 2.386 10 0 GEAERN O=C(NC[C@@H]1CCCC[C@H]1O)c1cc(I)ccc1O ZINC000228128859 645395216 /nfs/dbraw/zinc/39/52/16/645395216.db2.gz VIOQSULMONAMCW-JOYOIKCWSA-N 0 0 375.206 2.278 10 0 GEAERN COC(=O)[C@H]1CN(C(=O)c2cccc(C)c2I)C[C@@H]1C ZINC000228300340 645395747 /nfs/dbraw/zinc/39/57/47/645395747.db2.gz DQPJXUYILGQCJW-JQWIXIFHSA-N 0 0 387.217 2.481 10 0 GEAERN COC(=O)[C@@H]1CCCN(C(=O)c2ccc(I)c(O)c2)C1 ZINC000230892985 645401306 /nfs/dbraw/zinc/40/13/06/645401306.db2.gz HJIYBMMNXDNBTE-SNVBAGLBSA-N 0 0 389.189 2.022 10 0 GEAERN O=C(c1ccc(I)c(O)c1)N1CCC[C@@H]1CCCO ZINC000230904141 645402931 /nfs/dbraw/zinc/40/29/31/645402931.db2.gz KCQAJHUEEVPQSR-LLVKDONJSA-N 0 0 375.206 2.374 10 0 GEAERN Cc1cc(NC(=O)[C@H](C)N2CC[C@@H](N3CCOCC3)C2)ccc1Br ZINC000245442140 645454740 /nfs/dbraw/zinc/45/47/40/645454740.db2.gz HUVLHCKNGWFKJZ-GOEBONIOSA-N 0 0 396.329 2.491 10 0 GEAERN COCCN1CCN(S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)C[C@@H]1C ZINC000247182749 645507461 /nfs/dbraw/zinc/50/74/61/645507461.db2.gz RXCWEORBCVFMTR-ZDUSSCGKSA-N 0 0 380.432 2.355 10 0 GEAERN Cc1nnc([C@H]2CN(C[C@@H](O)COc3cc(Cl)ccc3Cl)CCO2)[nH]1 ZINC000247468618 645510196 /nfs/dbraw/zinc/51/01/96/645510196.db2.gz JASSEHJZOLAFSX-IUODEOHRSA-N 0 0 387.267 2.233 10 0 GEAERN COCCN1CCN(CC(=O)N[C@H](C)c2ccc(Br)cc2)C[C@@H]1C ZINC000247560216 645513453 /nfs/dbraw/zinc/51/34/53/645513453.db2.gz FXLMMKQFXATVSG-LSDHHAIUSA-N 0 0 398.345 2.279 10 0 GEAERN O=C(N[C@H]1CCC(=O)NC1=O)[C@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000248493055 645529851 /nfs/dbraw/zinc/52/98/51/645529851.db2.gz JSGSUZIGKKMMCW-CORIIIEPSA-N 0 0 385.247 2.383 10 0 GEAERN C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C[C@H]1N1CCOCC1 ZINC000249146739 645547213 /nfs/dbraw/zinc/54/72/13/645547213.db2.gz WYCZSMOTXZIQSS-CMPLNLGQSA-N 0 0 397.299 2.474 10 0 GEAERN CC(=O)N[C@@H]1CCCN([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000249721345 645559182 /nfs/dbraw/zinc/55/91/82/645559182.db2.gz MNYJPKYBUPYARW-SUMWQHHRSA-N 0 0 396.329 2.397 10 0 GEAERN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1noc(CN)n1 ZINC000261610510 645590215 /nfs/dbraw/zinc/59/02/15/645590215.db2.gz BVNZOIGUYALCMJ-UHFFFAOYSA-N 0 0 377.754 2.271 10 0 GEAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(Cc2cc(Cl)ccc2OC(F)F)CCO1 ZINC000262786908 645645443 /nfs/dbraw/zinc/64/54/43/645645443.db2.gz CRAUDEHNFGUJQU-CYBMUJFWSA-N 0 0 378.803 2.159 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Nc2nc(CC(F)(F)F)cs2)C1 ZINC000263031959 645650603 /nfs/dbraw/zinc/65/06/03/645650603.db2.gz KQFRVRLFHOGGSH-UHFFFAOYSA-N 0 0 380.392 2.307 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NCc2ccc(Br)c(C)c2)C1 ZINC000263340144 645661551 /nfs/dbraw/zinc/66/15/51/645661551.db2.gz FBZADSHMJSISDL-UHFFFAOYSA-N 0 0 398.301 2.494 10 0 GEAERN C[C@H]1Cc2cc(S(=O)(=O)NC[C@H]3CCn4ccnc4C3)cc(Cl)c2O1 ZINC000328616778 647310958 /nfs/dbraw/zinc/31/09/58/647310958.db2.gz CAEPIKTXKVIGHX-RYUDHWBXSA-N 0 0 381.885 2.401 10 0 GEAERN NC(=O)C1CC(NC(=O)c2cc(Br)cc(Br)c2)C1 ZINC000716782965 651474405 /nfs/dbraw/zinc/47/44/05/651474405.db2.gz LZZSDDOYJVBBDP-UHFFFAOYSA-N 0 0 376.048 2.205 10 0 GEAERN CN1C[C@@H](CNC(=O)c2cc(Br)ccc2Br)CC1=O ZINC000618999894 652041884 /nfs/dbraw/zinc/04/18/84/652041884.db2.gz IIYYPABPMRXNEE-MRVPVSSYSA-N 0 0 390.075 2.420 10 0 GEAERN COc1c(Br)cc(Br)cc1CN[C@@H]1CCNC1=O ZINC000657524216 652169715 /nfs/dbraw/zinc/16/97/15/652169715.db2.gz VWKKEQVCPKJMJS-SNVBAGLBSA-N 0 0 378.064 2.198 10 0 GEAERN O[C@H]1COCC[C@H]1Nc1ncc(C(F)(F)F)cc1I ZINC000601202454 653083075 /nfs/dbraw/zinc/08/30/75/653083075.db2.gz AKAGQMUSZOIHPH-BDAKNGLRSA-N 0 0 388.127 2.267 10 0 GEAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cccc(Br)c2)C1 ZINC000705653616 653321880 /nfs/dbraw/zinc/32/18/80/653321880.db2.gz AALAMXQSSQGLLX-OCCSQVGLSA-N 0 0 399.285 2.407 10 0 GEAERN CCn1cnc2c(c1=O)CCN(S(=O)(=O)/C=C\c1ccccc1Cl)C2 ZINC000886054659 653966001 /nfs/dbraw/zinc/96/60/01/653966001.db2.gz AXXKTMTXEVFNEC-NTMALXAHSA-N 0 0 379.869 2.275 10 0 GEAERN CCS(=O)(=O)Nc1ccc(NC(=O)C2C[C@H]3CSC[C@@H](C2)C3=O)cc1 ZINC000900272581 654057352 /nfs/dbraw/zinc/05/73/52/654057352.db2.gz SKJQJCDETJFCQI-YHWZYXNKSA-N 0 0 382.507 2.345 10 0 GEAERN COC(=O)[C@@H]1C[C@H]1C(=O)N[C@@H](c1nccn1C)c1ccc(Br)cc1 ZINC000912678631 654763458 /nfs/dbraw/zinc/76/34/58/654763458.db2.gz LKEVMEBTTHTTCJ-MGPQQGTHSA-N 0 0 392.253 2.197 10 0 GEAERN COC(=O)[C@@]1(C(F)(F)F)[C@H]2C=C[C@H](C2)N1S(=O)(=O)c1ccc(C)cc1 ZINC000006721324 531532269 /nfs/dbraw/zinc/53/22/69/531532269.db2.gz BBFQMXRDYMJTLO-YWPYICTPSA-N 0 0 375.368 2.418 10 0 GEAERN C[C@H]1CN(C(=O)Cc2cc(Br)ccc2F)C[C@@H]1N1CCOCC1 ZINC000153266086 531594474 /nfs/dbraw/zinc/59/44/74/531594474.db2.gz JFAIZMFLNAGANE-LRDDRELGSA-N 0 0 385.277 2.310 10 0 GEAERN CC(C)[C@H](C)NC(=O)CCNS(=O)(=O)c1cccc(Br)c1 ZINC000025976728 531614833 /nfs/dbraw/zinc/61/48/33/531614833.db2.gz DXNNHVFHGIRQDX-NSHDSACASA-N 0 0 377.304 2.278 10 0 GEAERN CC(C)CC(=O)N[C@@H](C(=O)Nc1cc(Br)c(=O)n(C)c1)C(C)C ZINC000154966118 531645344 /nfs/dbraw/zinc/64/53/44/531645344.db2.gz WVRBKHZCPVIVMG-CQSZACIVSA-N 0 0 386.290 2.273 10 0 GEAERN Cn1cc([C@@H]2CCCN2C(=O)CNC(=O)c2ccc(Br)cc2)cn1 ZINC000154822317 531635960 /nfs/dbraw/zinc/63/59/60/531635960.db2.gz CZAKVIMVIJKBTN-HNNXBMFYSA-N 0 0 391.269 2.276 10 0 GEAERN C[C@@H](NC(=O)[C@H]1CCCCN1S(C)(=O)=O)c1cccc(Br)c1 ZINC000030465344 531636566 /nfs/dbraw/zinc/63/65/66/531636566.db2.gz PATHUXDOUVDJDH-BXUZGUMPSA-N 0 0 389.315 2.440 10 0 GEAERN COCCN1CCN(S(=O)(=O)c2cc(Br)sc2C)C[C@H]1C ZINC000155189226 531664269 /nfs/dbraw/zinc/66/42/69/531664269.db2.gz RZXLRRRDCDTIKL-SNVBAGLBSA-N 0 0 397.360 2.160 10 0 GEAERN COc1ccc(Br)c(C(=O)N2CCOC[C@H]2c2nc(C)no2)c1 ZINC000155402812 531683302 /nfs/dbraw/zinc/68/33/02/531683302.db2.gz ASZBBCUNODMTBM-ZDUSSCGKSA-N 0 0 382.214 2.363 10 0 GEAERN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2COc3ccccc32)c1 ZINC000058727098 531835830 /nfs/dbraw/zinc/83/58/30/531835830.db2.gz MFIQVJMDUHTEJI-HNNXBMFYSA-N 0 0 380.853 2.454 10 0 GEAERN O=C(CSc1cccc(Br)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000163785590 531865228 /nfs/dbraw/zinc/86/52/28/531865228.db2.gz XANDDTONXAQSMN-CQSZACIVSA-N 0 0 385.327 2.474 10 0 GEAERN CCN1CCO[C@H](CNCc2ncc(Br)cc2Br)C1 ZINC000165912539 531874118 /nfs/dbraw/zinc/87/41/18/531874118.db2.gz MNCQLWZXRZGYHI-LLVKDONJSA-N 0 0 393.123 2.417 10 0 GEAERN COC(=O)[C@H]1C[C@@H]1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000170776198 531892214 /nfs/dbraw/zinc/89/22/14/531892214.db2.gz GXIYHDSPQGMKJT-GJZGRUSLSA-N 0 0 396.281 2.423 10 0 GEAERN COC(=O)[C@H]1C[C@@H]1C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000170774832 531892316 /nfs/dbraw/zinc/89/23/16/531892316.db2.gz ABNHQDPCIOEYFH-UWVGGRQHSA-N 0 0 378.169 2.476 10 0 GEAERN CS(=O)(=O)c1ccc(OCCCN2CCO[C@H](c3nccs3)C2)cc1 ZINC000171662471 531910018 /nfs/dbraw/zinc/91/00/18/531910018.db2.gz CLSUQKODPKYSRO-INIZCTEOSA-N 0 0 382.507 2.389 10 0 GEAERN O=C(c1ccc(I)cc1)N1CCC[C@H](n2cncn2)C1 ZINC000171664698 531910425 /nfs/dbraw/zinc/91/04/25/531910425.db2.gz WSQVEJADTWHOOU-ZDUSSCGKSA-N 0 0 382.205 2.360 10 0 GEAERN CSc1ncc(Cl)c(C(=O)N2CCO[C@@H](Cn3nc(C)cc3C)C2)n1 ZINC000171858325 531921381 /nfs/dbraw/zinc/92/13/81/531921381.db2.gz RAKJGRBCGIOMOP-GFCCVEGCSA-N 0 0 381.889 2.206 10 0 GEAERN COC(=O)[C@H](NS(=O)(=O)c1cc(Br)ccc1F)C(C)(C)C ZINC000097588821 531937634 /nfs/dbraw/zinc/93/76/34/531937634.db2.gz DDJTYJURWKVQHO-NSHDSACASA-N 0 0 382.251 2.454 10 0 GEAERN CC(=O)NC[C@@H]1CN(C(=O)N[C@@H](C)c2cccc(Br)c2)CCO1 ZINC000172272479 531943303 /nfs/dbraw/zinc/94/33/03/531943303.db2.gz NKLSCWKLBLQWNT-XHDPSFHLSA-N 0 0 384.274 2.057 10 0 GEAERN Cc1cnn(C[C@@H]2CN(C(=O)Cc3ccc(Br)cc3)CCO2)c1 ZINC000112064503 531944640 /nfs/dbraw/zinc/94/46/40/531944640.db2.gz HEKHFRLWIMYRCS-INIZCTEOSA-N 0 0 378.270 2.424 10 0 GEAERN O=C(Nc1nc2c(s1)COCC2)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000172298067 531944814 /nfs/dbraw/zinc/94/48/14/531944814.db2.gz JCGWNKNXZJBVSM-DTWKUNHWSA-N 0 0 377.388 2.392 10 0 GEAERN O=C(N[C@@H]1CCc2ncnn2C1)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000112651041 531950075 /nfs/dbraw/zinc/95/00/75/531950075.db2.gz MKUWYAURTMAAFR-SECBINFHSA-N 0 0 378.205 2.406 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)COc1ccc(Br)cc1)CC2 ZINC000114871807 531957001 /nfs/dbraw/zinc/95/70/01/531957001.db2.gz CLCCPOFWEBLMLI-GFCCVEGCSA-N 0 0 379.258 2.113 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc(Br)cnc1Cl)CC2 ZINC000114868085 531957781 /nfs/dbraw/zinc/95/77/81/531957781.db2.gz GCJGQJFVDVNIOZ-SECBINFHSA-N 0 0 384.665 2.396 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)CC2 ZINC000114874430 531958050 /nfs/dbraw/zinc/95/80/50/531958050.db2.gz PKKCESAGUXFEJY-VIFPVBQESA-N 0 0 375.281 2.441 10 0 GEAERN O=C(NCC1(c2cccc(Br)c2)CC1)N[C@H]1CCc2ncnn2C1 ZINC000115836877 531958757 /nfs/dbraw/zinc/95/87/57/531958757.db2.gz DIUWDYPGGMXBIP-AWEZNQCLSA-N 0 0 390.285 2.386 10 0 GEAERN COc1cc(C(=O)N2CC[C@H](N3CCOCC3)C2)cc(OC)c1Br ZINC000172751329 531967261 /nfs/dbraw/zinc/96/72/61/531967261.db2.gz DSGJMWFALBVUSJ-ZDUSSCGKSA-N 0 0 399.285 2.013 10 0 GEAERN Cc1csc([C@H]2CCCN(C(=O)CNS(=O)(=O)c3cccs3)C2)n1 ZINC000173066690 531985222 /nfs/dbraw/zinc/98/52/22/531985222.db2.gz KKSALGADQUUYTI-LBPRGKRZSA-N 0 0 385.536 2.198 10 0 GEAERN O=C([C@@H]1CNC(=O)C1)N1CCC[C@H]1c1ccc(I)cc1 ZINC000173324843 532004088 /nfs/dbraw/zinc/00/40/88/532004088.db2.gz OIODTCYOBCQYRK-AAEUAGOBSA-N 0 0 384.217 2.091 10 0 GEAERN O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)C(=O)N1CCC[C@H]1CO ZINC000120977936 532005795 /nfs/dbraw/zinc/00/57/95/532005795.db2.gz BEXRDWISXAQWRM-JTQLQIEISA-N 0 0 380.750 2.203 10 0 GEAERN O=S(=O)(NC[C@@H]1CCCC[C@@H]1O)c1cccc(I)c1 ZINC000121344010 532023212 /nfs/dbraw/zinc/02/32/12/532023212.db2.gz UEHCWMDHSGJBIH-GWCFXTLKSA-N 0 0 395.262 2.121 10 0 GEAERN Cc1nnc([C@H]2CN(CCC(=O)Nc3cccc(Br)c3)CCO2)[nH]1 ZINC000173716536 532028013 /nfs/dbraw/zinc/02/80/13/532028013.db2.gz LIDXCMIHNIENBQ-CQSZACIVSA-N 0 0 394.273 2.278 10 0 GEAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CCO2)[nH]1 ZINC000173733742 532029040 /nfs/dbraw/zinc/02/90/40/532029040.db2.gz FIDNBCVAXSKGRM-GFCCVEGCSA-N 0 0 377.253 2.182 10 0 GEAERN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)NC[C@H]1CN(C)CCO1 ZINC000121493556 532031689 /nfs/dbraw/zinc/03/16/89/532031689.db2.gz PAQRPQLQBKOYPC-YPMHNXCESA-N 0 0 388.281 2.149 10 0 GEAERN C[C@@H](Cc1cccc(Br)c1)NC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173793435 532033890 /nfs/dbraw/zinc/03/38/90/532033890.db2.gz XDSURGFLXSITNN-WMLDXEAASA-N 0 0 396.329 2.496 10 0 GEAERN COc1c(Br)c(C)sc1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000174013737 532044948 /nfs/dbraw/zinc/04/49/48/532044948.db2.gz JKHZZKVUIVJDHH-LLVKDONJSA-N 0 0 389.315 2.374 10 0 GEAERN CC(C)c1csc([C@H]2CCCN(C(=O)[C@H]3CCCN3S(C)(=O)=O)C2)n1 ZINC000173961344 532044160 /nfs/dbraw/zinc/04/41/60/532044160.db2.gz FFBRCQDITJYRJW-DZGCQCFKSA-N 0 0 385.555 2.397 10 0 GEAERN CN(C(=O)c1ccc(Br)cn1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122502608 532073168 /nfs/dbraw/zinc/07/31/68/532073168.db2.gz XQEGRLYFLCMPLL-CYBMUJFWSA-N 0 0 376.258 2.375 10 0 GEAERN CN(C(=O)c1ccc(Br)cn1)[C@H]1CCCN(c2cccnn2)C1 ZINC000122502879 532072914 /nfs/dbraw/zinc/07/29/14/532072914.db2.gz XQEGRLYFLCMPLL-ZDUSSCGKSA-N 0 0 376.258 2.375 10 0 GEAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000174830227 532080319 /nfs/dbraw/zinc/08/03/19/532080319.db2.gz AXBHCSGLWBLHDY-ABAIWWIYSA-N 0 0 391.269 2.351 10 0 GEAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cc(F)c(F)cc1I ZINC000174830977 532079512 /nfs/dbraw/zinc/07/95/12/532079512.db2.gz LEJWRERKKOXSSO-CDUCUWFYSA-N 0 0 380.132 2.033 10 0 GEAERN Cc1noc(C)c1S(=O)(=O)N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000175215252 532092981 /nfs/dbraw/zinc/09/29/81/532092981.db2.gz SGYLMSDQWJSKMT-CQSZACIVSA-N 0 0 385.511 2.047 10 0 GEAERN Cc1noc(C)c1S(=O)(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000175225572 532093804 /nfs/dbraw/zinc/09/38/04/532093804.db2.gz WWGXRFLPGOBLKP-BXUZGUMPSA-N 0 0 385.511 2.093 10 0 GEAERN C[C@H]1CN([C@@H](CNS(=O)(=O)N2CCCCCC2)c2cccs2)CCO1 ZINC000175223253 532094035 /nfs/dbraw/zinc/09/40/35/532094035.db2.gz HWAJHKQAWVGKMD-HOTGVXAUSA-N 0 0 387.571 2.220 10 0 GEAERN COc1nc(N2CCN(C(=O)N[C@@H](C)C(C)C)CC2)ncc1Br ZINC000175297132 532098498 /nfs/dbraw/zinc/09/84/98/532098498.db2.gz INGMBPOULRWNNS-NSHDSACASA-N 0 0 386.294 2.124 10 0 GEAERN Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(Cl)nc3Cl)C2=O)n(C)n1 ZINC000175421697 532102582 /nfs/dbraw/zinc/10/25/82/532102582.db2.gz GOEXCYUATPVPME-LLVKDONJSA-N 0 0 382.251 2.356 10 0 GEAERN CC(C)c1nc(C2(NC(=O)c3csc(S(N)(=O)=O)c3)CCCC2)no1 ZINC000175808333 532116422 /nfs/dbraw/zinc/11/64/22/532116422.db2.gz UBLQNXKOMVIGIG-UHFFFAOYSA-N 0 0 384.483 2.101 10 0 GEAERN O=C(NCCNC(=O)c1ccc(Br)cc1)N[C@@H]1CCCC[C@H]1CO ZINC000175990312 532122136 /nfs/dbraw/zinc/12/21/36/532122136.db2.gz PJJMBRPSGSYHOB-DZGCQCFKSA-N 0 0 398.301 2.029 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc(Br)cc1C ZINC000176014139 532123048 /nfs/dbraw/zinc/12/30/48/532123048.db2.gz YCFYFWIPQAKOKL-CYBMUJFWSA-N 0 0 392.257 2.247 10 0 GEAERN C[C@H]1CN(C(=O)NCc2cc(Br)cs2)C[C@@H]1N1CCOCC1 ZINC000175687862 532112129 /nfs/dbraw/zinc/11/21/29/532112129.db2.gz MYQWHNCMRUSENE-FZMZJTMJSA-N 0 0 388.331 2.373 10 0 GEAERN COC(=O)C[C@H]1CN(C(=O)N[C@@H](C)c2cccc(Br)c2)CCO1 ZINC000175753798 532112972 /nfs/dbraw/zinc/11/29/72/532112972.db2.gz BCTGTSWBVZXASF-FZMZJTMJSA-N 0 0 385.258 2.484 10 0 GEAERN NS(=O)(=O)c1ccc(CNC(=O)N2CCCC[C@H]2c2nccs2)cc1 ZINC000176133794 532127347 /nfs/dbraw/zinc/12/73/47/532127347.db2.gz XIIKQWSUYWQFCI-AWEZNQCLSA-N 0 0 380.495 2.227 10 0 GEAERN CC[C@@H](NC(=O)N[C@@H](C)c1cccc(Br)c1)C(=O)N1CCOCC1 ZINC000176392359 532135994 /nfs/dbraw/zinc/13/59/94/532135994.db2.gz FRTPDFVUTNUIFY-SWLSCSKDSA-N 0 0 398.301 2.447 10 0 GEAERN C[C@@H]1CN([C@@H](CNC(=O)c2ccc(C(N)=O)s2)c2cccs2)CCO1 ZINC000176594626 532142925 /nfs/dbraw/zinc/14/29/25/532142925.db2.gz UQKJXISPCOFSSO-NEPJUHHUSA-N 0 0 379.507 2.100 10 0 GEAERN C[C@@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)c1ccc(F)cc1Cl ZINC000128755014 532167815 /nfs/dbraw/zinc/16/78/15/532167815.db2.gz HVNGKZAUPCXKOD-SECBINFHSA-N 0 0 392.861 2.166 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(Br)s1 ZINC000177006405 532158886 /nfs/dbraw/zinc/15/88/86/532158886.db2.gz NBMCEEWTZONHMT-QMMMGPOBSA-N 0 0 377.289 2.224 10 0 GEAERN COc1ccc(Br)c(NC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)c1 ZINC000177061585 532160550 /nfs/dbraw/zinc/16/05/50/532160550.db2.gz YILWTFFCQDQYCJ-CYBMUJFWSA-N 0 0 396.245 2.490 10 0 GEAERN O=C(N[C@@H]1CCCn2ncnc21)c1ccc(F)cc1I ZINC000177615051 532177766 /nfs/dbraw/zinc/17/77/66/532177766.db2.gz OTKYJILIPKQKBU-LLVKDONJSA-N 0 0 386.168 2.287 10 0 GEAERN Cn1cc(Br)cc(NC(=O)N2CCC(Cn3cccn3)CC2)c1=O ZINC000177982034 532188691 /nfs/dbraw/zinc/18/86/91/532188691.db2.gz RWAYOUHXBSFMBL-UHFFFAOYSA-N 0 0 394.273 2.288 10 0 GEAERN C[C@H](NC(=O)C(=O)N1CCc2cc(Br)cc(F)c21)[C@@H]1CCCO1 ZINC000178419952 532200919 /nfs/dbraw/zinc/20/09/19/532200919.db2.gz QAFOTRMKZYZIRL-ZANVPECISA-N 0 0 385.233 2.161 10 0 GEAERN COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000178549385 532205345 /nfs/dbraw/zinc/20/53/45/532205345.db2.gz YXXZDQXPJGPTRR-UHFFFAOYSA-N 0 0 383.857 2.418 10 0 GEAERN Cc1ccc(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)c(Br)n1 ZINC000131847334 532205559 /nfs/dbraw/zinc/20/55/59/532205559.db2.gz HBJWEFQQEGVPKA-UHFFFAOYSA-N 0 0 392.301 2.234 10 0 GEAERN C[C@H](NS(=O)(=O)c1c[nH]c2nccc(Cl)c12)c1nnc2n1CCCC2 ZINC000179384413 532229402 /nfs/dbraw/zinc/22/94/02/532229402.db2.gz FTPGHMAHGRSQPK-VIFPVBQESA-N 0 0 380.861 2.184 10 0 GEAERN C[C@@H](N[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1)c1c(Cl)ccc(F)c1Cl ZINC000179538266 532234721 /nfs/dbraw/zinc/23/47/21/532234721.db2.gz LXFUXIBIDHXEJQ-KXUCPTDWSA-N 0 0 397.299 2.475 10 0 GEAERN Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2c2cnn(C)c2)c(Br)n1 ZINC000179656256 532240075 /nfs/dbraw/zinc/24/00/75/532240075.db2.gz HPPVJLPIUCDFLU-ZDUSSCGKSA-N 0 0 392.257 2.188 10 0 GEAERN COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2Cn2ccnc2)cc1Cl ZINC000133790508 532242761 /nfs/dbraw/zinc/24/27/61/532242761.db2.gz ZRWSDWOQKJTITJ-GFCCVEGCSA-N 0 0 383.857 2.176 10 0 GEAERN O=C(c1cnn2cc(Br)cnc12)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000179842473 532246633 /nfs/dbraw/zinc/24/66/33/532246633.db2.gz WVSMTGKNMWMNBT-MEDUHNTESA-N 0 0 379.258 2.259 10 0 GEAERN CS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCC[C@H]2O)cc1Br ZINC000179602364 532238136 /nfs/dbraw/zinc/23/81/36/532238136.db2.gz DBBRVZCKAPKQND-DGCLKSJQSA-N 0 0 390.299 2.134 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)Cc1cc(Br)ccc1F)CC2 ZINC000133579398 532238771 /nfs/dbraw/zinc/23/87/71/532238771.db2.gz SEFXQDSQJMFCEE-GFCCVEGCSA-N 0 0 381.249 2.416 10 0 GEAERN Cn1c(CS(=O)(=O)CCC(=O)Nc2ccccc2Cl)nnc1C1CC1 ZINC000180071349 532256161 /nfs/dbraw/zinc/25/61/61/532256161.db2.gz KAQANMXRMCPMCM-UHFFFAOYSA-N 0 0 382.873 2.290 10 0 GEAERN CCc1nnc(CS(=O)(=O)[C@H](C)C(=O)Nc2cccc(Cl)c2C)n1C ZINC000180084839 532256715 /nfs/dbraw/zinc/25/67/15/532256715.db2.gz LNQLRXGJPMVWIS-LLVKDONJSA-N 0 0 384.889 2.281 10 0 GEAERN CCn1c(C)nnc1CS(=O)(=O)CC(=O)N[C@H](C)c1ccccc1Cl ZINC000180093486 532257071 /nfs/dbraw/zinc/25/70/71/532257071.db2.gz GJCHPZXDXRAYPP-LLVKDONJSA-N 0 0 384.889 2.052 10 0 GEAERN CCc1nnc(CS(=O)(=O)CCC(=O)Nc2ccc(Cl)cc2F)n1C ZINC000180087578 532257092 /nfs/dbraw/zinc/25/70/92/532257092.db2.gz NRGYRQQMRTVRHQ-UHFFFAOYSA-N 0 0 388.852 2.114 10 0 GEAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H]1N1CCOCC1 ZINC000180250961 532262819 /nfs/dbraw/zinc/26/28/19/532262819.db2.gz ZKIJBJYSQDESGT-XHDPSFHLSA-N 0 0 386.279 2.111 10 0 GEAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)C[C@H]1N1CCOCC1 ZINC000180257535 532263487 /nfs/dbraw/zinc/26/34/87/532263487.db2.gz XPZALVKUHYZTAY-XHDPSFHLSA-N 0 0 386.279 2.111 10 0 GEAERN O=C(c1cccc(Br)n1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000136954265 532287520 /nfs/dbraw/zinc/28/75/20/532287520.db2.gz QHRPDAZHJUGDIB-MRXNPFEDSA-N 0 0 390.281 2.336 10 0 GEAERN CCS(=O)(=O)c1ccc(Br)c(C(=O)N2[C@H](C)COC[C@H]2C)c1 ZINC000181159753 532292505 /nfs/dbraw/zinc/29/25/05/532292505.db2.gz PJIFAEWOVYTLRS-GHMZBOCLSA-N 0 0 390.299 2.492 10 0 GEAERN CN1CCO[C@H](CNC(=O)c2coc(-c3ccc(Br)cc3F)n2)C1 ZINC000181166827 532292567 /nfs/dbraw/zinc/29/25/67/532292567.db2.gz AZCPDPSQZODQDI-LLVKDONJSA-N 0 0 398.232 2.304 10 0 GEAERN Cc1nc(Br)ccc1NC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000181338526 532295628 /nfs/dbraw/zinc/29/56/28/532295628.db2.gz IRGJHOWZHMYSGN-LBPRGKRZSA-N 0 0 380.246 2.282 10 0 GEAERN CNC(=O)[C@H]1CN(C(=O)N[C@H](C)c2c(Cl)ccc(F)c2Cl)CCO1 ZINC000181573957 532302010 /nfs/dbraw/zinc/30/20/10/532302010.db2.gz VYZRHGQTOMCLRG-LDYMZIIASA-N 0 0 378.231 2.350 10 0 GEAERN Cc1ccc(NC(=O)CS(=O)(=O)Cc2nnc(C(C)C)n2C)cc1Cl ZINC000182386614 532312324 /nfs/dbraw/zinc/31/23/24/532312324.db2.gz SPFDLCFVPURHTO-UHFFFAOYSA-N 0 0 384.889 2.454 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)Nc3cnc(Br)c(C)c3)CCO2)[nH]1 ZINC000182458484 532313711 /nfs/dbraw/zinc/31/37/11/532313711.db2.gz SMHZISHLEJYDNN-NSHDSACASA-N 0 0 381.234 2.184 10 0 GEAERN COCC(=O)NC1CN(C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)C1 ZINC000185304198 532337513 /nfs/dbraw/zinc/33/75/13/532337513.db2.gz HIWNMLIFFPCAPD-UHFFFAOYSA-N 0 0 388.295 2.427 10 0 GEAERN CSc1ccc(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)cc1Cl ZINC000185783599 532338698 /nfs/dbraw/zinc/33/86/98/532338698.db2.gz BPSZHRGHCKDLJF-GFCCVEGCSA-N 0 0 376.931 2.157 10 0 GEAERN CN1CCO[C@H](CNC(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)C1 ZINC000185991306 532339393 /nfs/dbraw/zinc/33/93/93/532339393.db2.gz GXGKCZCMTLLURB-GFCCVEGCSA-N 0 0 391.299 2.176 10 0 GEAERN COCC(=O)NC1CN(C(=O)Cc2csc(-c3ccc(Cl)s3)n2)C1 ZINC000186318173 532340603 /nfs/dbraw/zinc/34/06/03/532340603.db2.gz XGXIVBSGULKQFF-UHFFFAOYSA-N 0 0 385.898 2.041 10 0 GEAERN C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000186627173 532341441 /nfs/dbraw/zinc/34/14/41/532341441.db2.gz BRGVZGOPLYDKJV-GFCCVEGCSA-N 0 0 399.285 2.224 10 0 GEAERN Cc1ccccc1[C@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000186871233 532342278 /nfs/dbraw/zinc/34/22/78/532342278.db2.gz XCYMNMFVRSLLAX-AWEZNQCLSA-N 0 0 382.507 2.285 10 0 GEAERN CN1CCO[C@H](CNC(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)C1 ZINC000186877597 532342381 /nfs/dbraw/zinc/34/23/81/532342381.db2.gz LNEZPPBYPIUNEB-SECBINFHSA-N 0 0 385.852 2.450 10 0 GEAERN CCS(=O)(=O)c1c(Cl)cccc1CN1CCO[C@@H](Cn2cccn2)C1 ZINC000186947840 532342851 /nfs/dbraw/zinc/34/28/51/532342851.db2.gz QTTVFEILLVLEQX-OAHLLOKOSA-N 0 0 383.901 2.231 10 0 GEAERN C[C@H](CNC(=O)NCc1cc2cc(Br)ccc2[nH]1)N1CCOCC1 ZINC000184385425 532332703 /nfs/dbraw/zinc/33/27/03/532332703.db2.gz NMCBMPDEUZJGIA-GFCCVEGCSA-N 0 0 395.301 2.450 10 0 GEAERN COc1cc(C)c(Br)cc1NC(=O)C(=O)NCCn1cc(C)cn1 ZINC000184669137 532334318 /nfs/dbraw/zinc/33/43/18/532334318.db2.gz WMDWBUNISDAAIE-UHFFFAOYSA-N 0 0 395.257 2.026 10 0 GEAERN O=C(NC1CN(C(=O)NCC2(c3ccccc3Br)CC2)C1)C1CC1 ZINC000187248592 532343645 /nfs/dbraw/zinc/34/36/45/532343645.db2.gz KMTHGRGDRKGZPW-UHFFFAOYSA-N 0 0 392.297 2.401 10 0 GEAERN O=C([O-])c1cc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc(Cl)c1Cl ZINC000185011867 532336590 /nfs/dbraw/zinc/33/65/90/532336590.db2.gz YDENXAWBSZDFGS-SECBINFHSA-N 0 0 379.265 2.160 10 0 GEAERN CNS(=O)(=O)CCNC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000187830144 532345765 /nfs/dbraw/zinc/34/57/65/532345765.db2.gz XGCSDZJMTCHHMM-ZDUSSCGKSA-N 0 0 379.404 2.005 10 0 GEAERN O=C(NC1CN(C(=O)NCc2cc3cc(Br)ccc3[nH]2)C1)C1CC1 ZINC000187827243 532345802 /nfs/dbraw/zinc/34/58/02/532345802.db2.gz JOFLSEGFNFFPOZ-UHFFFAOYSA-N 0 0 391.269 2.350 10 0 GEAERN C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C[C@@H]1N1CCOCC1 ZINC000188089310 532346604 /nfs/dbraw/zinc/34/66/04/532346604.db2.gz WYCZSMOTXZIQSS-JQWIXIFHSA-N 0 0 397.299 2.474 10 0 GEAERN CS(=O)(=O)c1cccc(OCCN2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000188085227 532346631 /nfs/dbraw/zinc/34/66/31/532346631.db2.gz XLBZEOAFRSDDSF-YJBOKZPZSA-N 0 0 381.519 2.238 10 0 GEAERN Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CCCn3ncnc32)cc1Br ZINC000188126111 532346702 /nfs/dbraw/zinc/34/67/02/532346702.db2.gz PZTXWNUTSHPKGV-GFCCVEGCSA-N 0 0 392.257 2.247 10 0 GEAERN CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000189187128 532351236 /nfs/dbraw/zinc/35/12/36/532351236.db2.gz BQUPXTGOGBRTCD-GZMMTYOYSA-N 0 0 393.252 2.231 10 0 GEAERN CCn1cc([C@H]2CN(S(=O)(=O)c3ccc(F)c(F)c3F)CCO2)cn1 ZINC000189225070 532351447 /nfs/dbraw/zinc/35/14/47/532351447.db2.gz IVWDYXXRHPXQGR-GFCCVEGCSA-N 0 0 375.372 2.083 10 0 GEAERN COc1cc(Br)ccc1[C@@H](C)NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000189366723 532351890 /nfs/dbraw/zinc/35/18/90/532351890.db2.gz GJTIYPSHUDGNSB-DGCLKSJQSA-N 0 0 386.290 2.149 10 0 GEAERN COC(=O)c1scc(C)c1S(=O)(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000189962829 532354192 /nfs/dbraw/zinc/35/41/92/532354192.db2.gz JTYLMHXUYNIHAR-CQSZACIVSA-N 0 0 382.507 2.424 10 0 GEAERN COCCN1CCN(C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C[C@@H]1C ZINC000190489569 532356354 /nfs/dbraw/zinc/35/63/54/532356354.db2.gz FCLYJSHUTKFSHB-JTQLQIEISA-N 0 0 392.258 2.250 10 0 GEAERN O=C(Nc1ccc(F)cc1Br)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000190743562 532357718 /nfs/dbraw/zinc/35/77/18/532357718.db2.gz GQWYTOHJXPSZOU-GFCCVEGCSA-N 0 0 395.232 2.414 10 0 GEAERN O=C(Nc1cccc(Br)c1)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000190765834 532357825 /nfs/dbraw/zinc/35/78/25/532357825.db2.gz CROLUQJXAMVWJT-CQSZACIVSA-N 0 0 377.242 2.275 10 0 GEAERN Cc1noc([C@H]2COCCN2S(=O)(=O)Cc2ccc(Cl)c(F)c2)n1 ZINC000190878606 532358543 /nfs/dbraw/zinc/35/85/43/532358543.db2.gz ZKMDDRJZLBUYEI-CYBMUJFWSA-N 0 0 375.809 2.074 10 0 GEAERN C[C@H]1C(=O)NCCCN1C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000191559951 532361353 /nfs/dbraw/zinc/36/13/53/532361353.db2.gz MFMCQSQNDOTORI-JTQLQIEISA-N 0 0 379.258 2.350 10 0 GEAERN COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000192186403 532393187 /nfs/dbraw/zinc/39/31/87/532393187.db2.gz CQVYTUPBQVWSNA-LLVKDONJSA-N 0 0 382.663 2.429 10 0 GEAERN CC[S@@](=O)c1ccccc1C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000192980234 532415311 /nfs/dbraw/zinc/41/53/11/532415311.db2.gz LQIRWKOAPQHZOD-IZHWHUGBSA-N 0 0 377.487 2.463 10 0 GEAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(F)cc1Br ZINC000193703294 532430820 /nfs/dbraw/zinc/43/08/20/532430820.db2.gz DNKKVYIYUAINRN-HNNXBMFYSA-N 0 0 394.244 2.484 10 0 GEAERN CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCN2CCCC[C@@H]2C1 ZINC000193880621 532433791 /nfs/dbraw/zinc/43/37/91/532433791.db2.gz IDBCCLOZUPXRED-CYBMUJFWSA-N 0 0 375.897 2.326 10 0 GEAERN CC[C@H](NC(=O)C[S@](=O)Cc1nnnn1C(C)C)c1ccc(Cl)cc1 ZINC000194270353 532445178 /nfs/dbraw/zinc/44/51/78/532445178.db2.gz JFCGOWUKZAMTGQ-HWRSSNJWSA-N 0 0 383.905 2.424 10 0 GEAERN CC(C)NS(=O)(=O)CCNC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000194467013 532450976 /nfs/dbraw/zinc/45/09/76/532450976.db2.gz WXBHQONCVOZZEE-NSHDSACASA-N 0 0 392.319 2.137 10 0 GEAERN CCc1nnsc1C(=O)N1CCOC[C@H]1c1nc(-c2cccs2)no1 ZINC000374241020 532493277 /nfs/dbraw/zinc/49/32/77/532493277.db2.gz ZPSLWIAWEOKJGC-JTQLQIEISA-N 0 0 377.451 2.426 10 0 GEAERN O=C(c1cc(I)ccc1O)N1CCN2CCCC[C@H]2C1 ZINC000195320398 532474426 /nfs/dbraw/zinc/47/44/26/532474426.db2.gz OOMPSDSTPSVUTA-LBPRGKRZSA-N 0 0 386.233 2.307 10 0 GEAERN C[C@H](O)C[N@@H+]1CCN(Cc2cc3c(cc2Br)OCCCO3)C[C@@H]1C ZINC000245558914 532522095 /nfs/dbraw/zinc/52/20/95/532522095.db2.gz HIGVXASULHALCY-KBPBESRZSA-N 0 0 399.329 2.497 10 0 GEAERN COC(=O)CCN(C)S(=O)(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000245996123 532529498 /nfs/dbraw/zinc/52/94/98/532529498.db2.gz JDCPHPNLMLVABJ-GXFFZTMASA-N 0 0 395.308 2.426 10 0 GEAERN O=S(=O)(c1c(Cl)nc2ccccn21)N1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249464853 532566183 /nfs/dbraw/zinc/56/61/83/532566183.db2.gz QASRDANUZXWDJR-QWHCGFSZSA-N 0 0 397.909 2.446 10 0 GEAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000262955342 532607862 /nfs/dbraw/zinc/60/78/62/532607862.db2.gz JJRRODOQKDYHDU-LBPRGKRZSA-N 0 0 378.853 2.039 10 0 GEAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NS(=O)(=O)c2cc(Cl)ccc2F)C1 ZINC000263505532 532628281 /nfs/dbraw/zinc/62/82/81/532628281.db2.gz VMYWFPWSTGHMLW-UHFFFAOYSA-N 0 0 390.864 2.085 10 0 GEAERN CCC1(CC)CN(c2ccc(C(=O)Nc3nncs3)cn2)CC[S@]1=O ZINC000302231015 532768855 /nfs/dbraw/zinc/76/88/55/532768855.db2.gz XKOJKXOTKQYOBV-RUZDIDTESA-N 0 0 379.511 2.313 10 0 GEAERN CCOc1ncccc1C(=O)N1CCC[C@@H](n2ncc(N(C)C(C)C)cc2=O)C1 ZINC000328606065 206232115 /nfs/dbraw/zinc/23/21/15/206232115.db2.gz QFNMQQOQPKBKPE-MRXNPFEDSA-N 0 0 399.495 2.359 10 0 GEAERN Cn1c2c(nc1[C@@H]1CCCN1C[C@H]1CCCN(S(C)(=O)=O)C1)CCCC2 ZINC000328645157 206236338 /nfs/dbraw/zinc/23/63/38/206236338.db2.gz SAPPBQSDULPHDW-QAPCUYQASA-N 0 0 380.558 2.107 10 0 GEAERN Cc1noc(C)c1S(=O)(=O)NCCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000032747653 206256804 /nfs/dbraw/zinc/25/68/04/206256804.db2.gz HKPYHZYLNTWLQU-UHFFFAOYSA-N 0 0 381.498 2.045 10 0 GEAERN COc1cc([C@@H]2c3cc4c(cc3C(=O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000006483608 206262074 /nfs/dbraw/zinc/26/20/74/206262074.db2.gz OJDRVIHXHQXFSH-RZAIGCCYSA-N 0 0 398.367 2.256 10 0 GEAERN COc1ccccc1N1CCN(C[C@@H]2CN=C3c4ccccc4NC(=O)N32)CC1 ZINC000000601766 206290237 /nfs/dbraw/zinc/29/02/37/206290237.db2.gz FUCGAUZSWYLMRK-INIZCTEOSA-N 0 0 391.475 2.494 10 0 in-vivo GEAERN COc1ccccc1N1CCN(C[C@H]2CN=C3c4ccccc4NC(=O)N32)CC1 ZINC000003826158 206293187 /nfs/dbraw/zinc/29/31/87/206293187.db2.gz FUCGAUZSWYLMRK-MRXNPFEDSA-N 0 0 391.475 2.494 10 0 in-vivo GEAERN CCOC(=O)CNC(=O)CCc1cc(Cl)ccc1C(=O)CCCNC(C)=O ZINC000003793878 206293231 /nfs/dbraw/zinc/29/32/31/206293231.db2.gz JWBNKWGRNNHZIH-UHFFFAOYSA-N 0 0 396.871 2.051 10 0 GEAERN Cc1c(=O)[nH]c(=O)n(COCCO)c1Sc1cc(Cl)cc(Cl)c1 ZINC000006520133 206294872 /nfs/dbraw/zinc/29/48/72/206294872.db2.gz JIUORDFAVCUCGX-UHFFFAOYSA-N 0 0 377.249 2.269 10 0 GEAERN O=C1N[C@H](CC[C@@H]2NC(=O)N(c3ccccc3)C2=O)C(=O)N1c1ccccc1 ZINC000031571141 206303373 /nfs/dbraw/zinc/30/33/73/206303373.db2.gz ARQRJSDVJPRWPO-IYBDPMFKSA-N 0 0 378.388 2.017 10 0 GEAERN CCOC(=O)C(C=Nc1cc(OC)nc(OC)n1)C(=O)Nc1ccccc1C ZINC000033895458 206305775 /nfs/dbraw/zinc/30/57/75/206305775.db2.gz QNBGOQCOZTVBTD-ACCUITESSA-N 0 0 386.408 2.300 10 0 GEAERN CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCC(F)(F)F)C2 ZINC000014732568 207025872 /nfs/dbraw/zinc/02/58/72/207025872.db2.gz GSRAMHCFHLYZID-CYBMUJFWSA-N 0 0 388.434 2.021 10 0 GEAERN O=C(CCC(=O)c1ccccc1)Nc1cnn(CC(=O)N2CCSCC2)c1 ZINC000014992961 207039350 /nfs/dbraw/zinc/03/93/50/207039350.db2.gz NIEWUDUDHHMCGL-UHFFFAOYSA-N 0 0 386.477 2.060 10 0 GEAERN Cc1nonc1CC(=O)N1CCC[C@@H](CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC000015073682 207045415 /nfs/dbraw/zinc/04/54/15/207045415.db2.gz RLBVZXUGGRUKJG-AWEZNQCLSA-N 0 0 381.436 2.070 10 0 GEAERN Cc1ccc(C)c(NC(=O)CN2CCN(Cc3ccccc3F)S2(=O)=O)c1 ZINC000015725650 207056892 /nfs/dbraw/zinc/05/68/92/207056892.db2.gz AEYVMZRUWSEGTN-UHFFFAOYSA-N 0 0 391.468 2.444 10 0 GEAERN Cc1cc(O)ccc1N1C(=O)C[C@@H](N2CCN(c3ccccc3F)CC2)C1=O ZINC000016901710 207080217 /nfs/dbraw/zinc/08/02/17/207080217.db2.gz POWRLLJMIDRWFT-LJQANCHMSA-N 0 0 383.423 2.294 10 0 GEAERN Cc1cccc(CC(=O)N2CCCC[C@H]2CCn2cc(C(=O)NC3CC3)nn2)c1 ZINC000019642413 207145933 /nfs/dbraw/zinc/14/59/33/207145933.db2.gz ZGRLGLLGPCNIAM-IBGZPJMESA-N 0 0 395.507 2.493 10 0 GEAERN CC[C@@H](c1nnnn1Cc1cccs1)N1CCN(C(=O)c2ccco2)CC1 ZINC000020141758 207180585 /nfs/dbraw/zinc/18/05/85/207180585.db2.gz SRNBSVLZDCIVTL-HNNXBMFYSA-N 0 0 386.481 2.285 10 0 GEAERN O=C(c1cn(C2CCCCC2)nn1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020202727 207182023 /nfs/dbraw/zinc/18/20/23/207182023.db2.gz BKWYNKLANVMMIE-UHFFFAOYSA-N 0 0 397.479 2.470 10 0 GEAERN O=C(Cn1nnnc1CN1CCc2ccccc2C1)N[C@H]1CCc2ccccc21 ZINC000020255070 207186963 /nfs/dbraw/zinc/18/69/63/207186963.db2.gz SGFUIGWZXJGUBD-FQEVSTJZSA-N 0 0 388.475 2.035 10 0 GEAERN COc1ccccc1CNC(=O)Cn1ncn2c(cc3cc(F)ccc32)c1=O ZINC000020862879 207216490 /nfs/dbraw/zinc/21/64/90/207216490.db2.gz NTTQYDUNIVUUTK-UHFFFAOYSA-N 0 0 380.379 2.113 10 0 GEAERN COc1cc[n+]([O-])c(C[S@@](=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1OC ZINC000021981305 207245320 /nfs/dbraw/zinc/24/53/20/207245320.db2.gz BHJURHFGXQKOST-MHZLTWQESA-N 0 0 399.375 2.123 10 0 in-vitro GEAERN Cc1ccc(Cl)c(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1 ZINC000028047811 207335162 /nfs/dbraw/zinc/33/51/62/207335162.db2.gz XANUNEPJPXOSRK-UHFFFAOYSA-N 0 0 390.875 2.250 10 0 GEAERN Cc1ccc(C(=O)Cn2cccc3c(=O)n(Cc4ccccn4)c(=O)nc2-3)cc1 ZINC000032615366 207399663 /nfs/dbraw/zinc/39/96/63/207399663.db2.gz AXIXNHIPXRRMHM-UHFFFAOYSA-N 0 0 386.411 2.144 10 0 GEAERN NC(=O)Cn1c2sc(N3CCCCC3)nc2c(-c2cccs2)nc1=O ZINC000032615279 207399766 /nfs/dbraw/zinc/39/97/66/207399766.db2.gz FQEWLSWIWPMNRK-UHFFFAOYSA-N 0 0 375.479 2.057 10 0 GEAERN CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)c1ccccc1 ZINC000034235342 207465819 /nfs/dbraw/zinc/46/58/19/207465819.db2.gz WHKUKOCUXSRSAR-KBAFEORJSA-N 0 0 386.400 2.058 10 0 in-vitro GEAERN CC(C)NC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C1CCN(C(=O)C2CC2)CC1 ZINC000036158301 207515812 /nfs/dbraw/zinc/51/58/12/207515812.db2.gz UPAHNCSVJYPRHL-SFHVURJKSA-N 0 0 389.471 2.097 10 0 GEAERN CCCNC(=O)[C@@H](NC(=O)CC(C)C)C1CCN(C(=O)c2ccco2)CC1 ZINC000036347005 207522000 /nfs/dbraw/zinc/52/20/00/207522000.db2.gz JQTZSYDVWQNZIM-SFHVURJKSA-N 0 0 377.485 2.189 10 0 GEAERN CCN1CCN(Cc2ccc(C(=O)Nc3cc(F)cc(F)c3)cc2)C(=O)C1=O ZINC000065130469 207837087 /nfs/dbraw/zinc/83/70/87/207837087.db2.gz UHJKADUWZFXMFW-UHFFFAOYSA-N 0 0 387.386 2.408 10 0 GEAERN COc1cccc(C(=O)N2CCc3nc(CNC(=O)C4CCC4)n(C)c3C2)c1 ZINC000065284536 207858749 /nfs/dbraw/zinc/85/87/49/207858749.db2.gz YRFNUGXPBBOBHV-UHFFFAOYSA-N 0 0 382.464 2.044 10 0 GEAERN COCCC(=O)NCc1cccnc1N1CCN(c2ccccc2OC)CC1 ZINC000015063314 208036653 /nfs/dbraw/zinc/03/66/53/208036653.db2.gz VQJAFKZJQNFRCF-UHFFFAOYSA-N 0 0 384.480 2.070 10 0 GEAERN COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(C)c2ncccc12 ZINC000129494700 208102671 /nfs/dbraw/zinc/10/26/71/208102671.db2.gz ASGOKEMRGJWDDJ-CQSZACIVSA-N 0 0 387.465 2.095 10 0 GEAERN COC(=O)c1cc2c(c(Oc3ccc(S(C)(=O)=O)cc3)c1)CN(C)C2=O ZINC000089211160 208104709 /nfs/dbraw/zinc/10/47/09/208104709.db2.gz IZFAXMGCGIDOSD-UHFFFAOYSA-N 0 0 375.402 2.255 10 0 GEAERN Cc1cc(-c2nnc(CCC(=O)Nc3sc(C)c(C)c3C(N)=O)o2)nn1C ZINC000041070378 208383954 /nfs/dbraw/zinc/38/39/54/208383954.db2.gz JXIWTZLAJZIPRU-UHFFFAOYSA-N 0 0 388.453 2.127 10 0 GEAERN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(=O)[nH]c1 ZINC000016050873 208796550 /nfs/dbraw/zinc/79/65/50/208796550.db2.gz SHOOVLQEMDODGY-UHFFFAOYSA-N 0 0 375.450 2.110 10 0 GEAERN CCN(Cc1ccco1)S(=O)(=O)c1nnc(NC(=O)c2ccco2)s1 ZINC000041085500 209095858 /nfs/dbraw/zinc/09/58/58/209095858.db2.gz AFVTZQPSCFCHLK-UHFFFAOYSA-N 0 0 382.423 2.187 10 0 GEAERN COc1ccc(-c2cn3c(n2)CO[C@@H](CNS(=O)(=O)c2ccccc2)C3)cc1 ZINC000096112853 209009504 /nfs/dbraw/zinc/00/95/04/209009504.db2.gz KPMCPSYIJUPBKO-KRWDZBQOSA-N 0 0 399.472 2.436 10 0 GEAERN Cc1nc(C)c(C(=O)N2CCN(C(=O)c3cc(-c4ccncc4)n[nH]3)CC2)s1 ZINC000096324817 209013752 /nfs/dbraw/zinc/01/37/52/209013752.db2.gz KPXADRUMVFATLP-UHFFFAOYSA-N 0 0 396.476 2.143 10 0 GEAERN O=S(=O)(c1cc2c(cc1Cl)OCCO2)N1CC[C@H](Oc2cccnc2)C1 ZINC000097015549 209016239 /nfs/dbraw/zinc/01/62/39/209016239.db2.gz XLICNFJQXTXGNM-ZDUSSCGKSA-N 0 0 396.852 2.348 10 0 GEAERN COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)Cc1cc(Cl)ccc1F ZINC000097019974 209014933 /nfs/dbraw/zinc/01/49/33/209014933.db2.gz SYYFLNHEWIJCQD-ZDUSSCGKSA-N 0 0 388.852 2.172 10 0 GEAERN CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CC(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC000253561684 209042917 /nfs/dbraw/zinc/04/29/17/209042917.db2.gz CJRHYFONWMDYMT-HNNXBMFYSA-N 0 0 377.441 2.312 10 0 GEAERN CC[C@@H]1C(=O)NCCN1Cc1ccc2c(c1)CN(Cc1cccc(C)n1)CCO2 ZINC000299770622 209087044 /nfs/dbraw/zinc/08/70/44/209087044.db2.gz XCXPAUVCFKUBED-OAQYLSRUSA-N 0 0 394.519 2.495 10 0 GEAERN Cc1cccc(CC(=O)N2CCN(c3nc4ccccc4n(C)c3=O)CC2)c1 ZINC000065113066 136159149 /nfs/dbraw/zinc/15/91/49/136159149.db2.gz PFISDVDAXVKPEQ-UHFFFAOYSA-N 0 0 376.460 2.133 10 0 GEAERN CCc1ccc(CNC(=O)[C@@H]2CCc3nc(N4CCOCC4)ncc3C2)cc1 ZINC000096310476 136186252 /nfs/dbraw/zinc/18/62/52/136186252.db2.gz LCZFXCDEUHGOTL-GOSISDBHSA-N 0 0 380.492 2.297 10 0 GEAERN c1nn(-c2ccccc2)cc1-c1ccnc(N2CCN(c3cnccn3)CC2)n1 ZINC000019335690 136202631 /nfs/dbraw/zinc/20/26/31/136202631.db2.gz NFQQWXHHKLMMHG-UHFFFAOYSA-N 0 0 384.447 2.446 10 0 GEAERN CCc1ccc([C@@]2(Cc3cc(OC)c(OC)c(OC)c3)NC(N)=NC2=O)cc1 ZINC000071974382 222201680 /nfs/dbraw/zinc/20/16/80/222201680.db2.gz XIDXMLAQUYXGSW-OAQYLSRUSA-N 0 0 383.448 2.157 10 0 GEAERN O=C1NC(=O)[C@@H](Cc2ccc(OCCN3COc4ccccc4C3=O)cc2)S1 ZINC000003961414 560191869 /nfs/dbraw/zinc/19/18/69/560191869.db2.gz RFMNEXVCPAPDRA-QGZVFWFLSA-N 0 0 398.440 2.452 10 0 in-vitro GEAERN C/C=C1/C[C@@H](C)[C@@](C)(OC(C)=O)C(=O)OCc2ccn3c2[C@H](CC3=O)OC1=O ZINC000004098696 560195977 /nfs/dbraw/zinc/19/59/77/560195977.db2.gz NTGIQQBAUYBEBF-ZCXFZNNUSA-N 0 0 389.404 2.467 10 0 in-vitro GEAERN CC[C@H](C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(OC)c1 ZINC000004924277 570370608 /nfs/dbraw/zinc/37/06/08/570370608.db2.gz MBDHSTAQLREJNR-NSHDSACASA-N 0 0 387.465 2.134 10 0 GEAERN O=C(NCCc1ccccn1)[C@@H](C1CCCC1)N1CCN(C(=O)C2CCC2)CC1 ZINC000036251343 570587713 /nfs/dbraw/zinc/58/77/13/570587713.db2.gz JGKCBGQVAQPHNU-OAQYLSRUSA-N 0 0 398.551 2.243 10 0 GEAERN CSc1ccccc1N1C(=O)CN(C(=O)C2CCN(C(C)=O)CC2)C[C@@H]1C ZINC000011870738 570589019 /nfs/dbraw/zinc/58/90/19/570589019.db2.gz BDGBRVHMZBPRRC-AWEZNQCLSA-N 0 0 389.521 2.231 10 0 GEAERN O=S(=O)(c1ccc2c(c1)OCCCO2)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000275313359 570690144 /nfs/dbraw/zinc/69/01/44/570690144.db2.gz OBZLTUOOCIHUAT-HOCLYGCPSA-N 0 0 395.502 2.306 10 0 GEAERN COc1ccc(C(=O)N[C@H](c2nnc(N3CCOCC3)o2)c2ccccc2)cc1 ZINC000065209691 570731195 /nfs/dbraw/zinc/73/11/95/570731195.db2.gz OGTITSCSJYSGEG-SFHVURJKSA-N 0 0 394.431 2.434 10 0 GEAERN COC(=O)c1cnc(C[S@](=O)c2nc3cc(OC)ccc3[nH]2)c(C)c1OC ZINC000065748298 570774648 /nfs/dbraw/zinc/77/46/48/570774648.db2.gz PSGWLKSVKMHJHJ-HHHXNRCGSA-N 0 0 389.433 2.378 10 0 in-vitro GEAERN Cc1cc(C)c2[nH]c(=O)c(CN3CCn4nc(C(=O)NC5CC5)cc4C3)cc2c1 ZINC000067757493 570790066 /nfs/dbraw/zinc/79/00/66/570790066.db2.gz ZYRGVHRPHUFEHP-UHFFFAOYSA-N 0 0 391.475 2.249 10 0 GEAERN CCc1[nH]c2c(cc(C)cc2CNC(=O)[C@H]2CCCN2S(C)(=O)=O)c1C ZINC000071415814 570833667 /nfs/dbraw/zinc/83/36/67/570833667.db2.gz DFRFNRIBKMOUEF-QGZVFWFLSA-N 0 0 377.510 2.387 10 0 GEAERN CCS(=O)(=O)Nc1cc(C(=O)[O-])ccc1N1CCC[C@H](C[NH+]2CCCC2)C1 ZINC000033254099 570861971 /nfs/dbraw/zinc/86/19/71/570861971.db2.gz BRPGUCVDLOKOHL-OAHLLOKOSA-N 0 0 395.525 2.459 10 0 GEAERN Cc1c(C(=O)NC[C@H]2CCCO2)cnn1-c1ccc(-c2nc(C3CC3)no2)cn1 ZINC000065251511 570871483 /nfs/dbraw/zinc/87/14/83/570871483.db2.gz SPWNDRXMAGCXPU-OAHLLOKOSA-N 0 0 394.435 2.412 10 0 GEAERN C[C@H]1CN(Cn2nc(-c3cccs3)n(CCC(N)=O)c2=S)C[C@H](C)O1 ZINC000025469056 642423651 /nfs/dbraw/zinc/42/36/51/642423651.db2.gz KNPOBDGIKLJINR-RYUDHWBXSA-N 0 0 381.527 2.085 10 0 GEAERN Cc1ccc([C@H](C)NC(=O)c2cc(S(N)(=O)=O)ccc2Br)o1 ZINC000042038636 642539806 /nfs/dbraw/zinc/53/98/06/642539806.db2.gz VYQPDNAWYOQASR-VIFPVBQESA-N 0 0 387.255 2.489 10 0 GEAERN C[C@@H](NC(=O)c1c(Cl)nc2ccccn21)c1ccc(S(N)(=O)=O)cc1 ZINC000044820036 642582377 /nfs/dbraw/zinc/58/23/77/642582377.db2.gz WBMXXSFNXAGCRZ-SNVBAGLBSA-N 0 0 378.841 2.126 10 0 GEAERN C[C@@H](NC(=O)c1cccs1)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000054321181 642751587 /nfs/dbraw/zinc/75/15/87/642751587.db2.gz FBMDHPBOOGJESA-VXGBXAGGSA-N 0 0 380.491 2.147 10 0 GEAERN CCC(N[C@H](C)c1ccccc1Br)=C1C(=O)NC(=S)NC1=O ZINC000054504146 642754479 /nfs/dbraw/zinc/75/44/79/642754479.db2.gz HVTZXBKYNGOXBS-MRVPVSSYSA-N 0 0 382.283 2.295 10 0 GEAERN COC(=O)[C@@H](NS(=O)(=O)c1c[nH]c2nccc(Cl)c21)c1ccccc1 ZINC000093910811 643082051 /nfs/dbraw/zinc/08/20/51/643082051.db2.gz NMAYMGOBGPOFRR-AWEZNQCLSA-N 0 0 379.825 2.409 10 0 GEAERN C[C@H](NC(=O)c1cn(CC(=O)N(C)C)nn1)c1c(Cl)ccc(F)c1Cl ZINC000098035965 643100025 /nfs/dbraw/zinc/10/00/25/643100025.db2.gz HHWOMRRTVLKHQC-QMMMGPOBSA-N 0 0 388.230 2.303 10 0 GEAERN COC[C@@H](C)C(=O)Nc1cc(Br)ccc1Sc1nnnn1C ZINC000103388874 643163834 /nfs/dbraw/zinc/16/38/34/643163834.db2.gz GPJIJZRLXVGDMR-MRVPVSSYSA-N 0 0 386.275 2.345 10 0 GEAERN COCCN1CCN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)C[C@H]1C ZINC000106109688 643223388 /nfs/dbraw/zinc/22/33/88/643223388.db2.gz DDMUTCXCFIVPNG-CYBMUJFWSA-N 0 0 395.352 2.420 10 0 GEAERN COCCN1CCN(CC(=O)Nc2ccc(C)cc2Br)C[C@H]1C ZINC000106109595 643223457 /nfs/dbraw/zinc/22/34/57/643223457.db2.gz RJWISJAONFUXGT-CQSZACIVSA-N 0 0 384.318 2.349 10 0 GEAERN CC(=O)N[C@H]1CCCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000106623517 643236246 /nfs/dbraw/zinc/23/62/46/643236246.db2.gz NIRCMCRTCQBRBX-HNNXBMFYSA-N 0 0 391.269 2.376 10 0 GEAERN C[C@H](CNC(=O)c1cnn(-c2cccc(Br)c2)c1)N1CCOCC1 ZINC000106739895 643237568 /nfs/dbraw/zinc/23/75/68/643237568.db2.gz CWSRLGVZPINEKF-CYBMUJFWSA-N 0 0 393.285 2.085 10 0 GEAERN CN1CCO[C@@H](CNC(=O)CCCCOc2ccc(Br)cc2)C1 ZINC000108790623 643281676 /nfs/dbraw/zinc/28/16/76/643281676.db2.gz VHUMYVWJPWNWLL-INIZCTEOSA-N 0 0 385.302 2.445 10 0 GEAERN CN(c1cccnn1)C1CCN(C(=O)c2cncc(Br)c2)CC1 ZINC000109642527 643299047 /nfs/dbraw/zinc/29/90/47/643299047.db2.gz AXLJOFSQDIWFIQ-UHFFFAOYSA-N 0 0 376.258 2.375 10 0 GEAERN O=C(Cc1ccc(F)c(Br)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111080914 643326205 /nfs/dbraw/zinc/32/62/05/643326205.db2.gz DTQGRADUAFCXHV-CYBMUJFWSA-N 0 0 382.233 2.255 10 0 GEAERN O=C(c1cccc(I)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111082323 643326347 /nfs/dbraw/zinc/32/63/47/643326347.db2.gz PJOQBNWYIFGPOL-CQSZACIVSA-N 0 0 397.216 2.029 10 0 GEAERN Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)c3ccc(F)cc3Cl)CCO2)n1 ZINC000111345163 643335528 /nfs/dbraw/zinc/33/55/28/643335528.db2.gz PLLPJAIQQGEQRX-CQSZACIVSA-N 0 0 387.864 2.382 10 0 GEAERN Cc1c(Cl)cccc1S(=O)(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000115581027 643442008 /nfs/dbraw/zinc/44/20/08/643442008.db2.gz JNHSBXGIBKJWDL-UHFFFAOYSA-N 0 0 382.917 2.279 10 0 GEAERN CN(C)c1ncc(Br)cc1C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116123754 643453193 /nfs/dbraw/zinc/45/31/93/643453193.db2.gz CEUQGRNXDLNTEU-NSHDSACASA-N 0 0 378.274 2.273 10 0 GEAERN CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116370551 643460996 /nfs/dbraw/zinc/46/09/96/643460996.db2.gz ZJVWVCAVLDDFTO-GFCCVEGCSA-N 0 0 386.880 2.379 10 0 GEAERN Cn1cc([C@H]2CCN(S(=O)(=O)c3ccc(F)cc3Br)C2)cn1 ZINC000116370715 643461175 /nfs/dbraw/zinc/46/11/75/643461175.db2.gz FTJUWZQJZUSVJE-JTQLQIEISA-N 0 0 388.262 2.500 10 0 GEAERN Cn1cc([C@@H]2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C2)cn1 ZINC000116370336 643461181 /nfs/dbraw/zinc/46/11/81/643461181.db2.gz NDIJQESFACDXMJ-LLVKDONJSA-N 0 0 375.372 2.497 10 0 GEAERN Cc1ccc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)c(Br)c1 ZINC000116586407 643465616 /nfs/dbraw/zinc/46/56/16/643465616.db2.gz VHKLAMBRUXQBOF-LBPRGKRZSA-N 0 0 391.269 2.446 10 0 GEAERN CC[C@H]1CN(C(=O)c2cc(Br)cnc2N(C)C)CCN1CCOC ZINC000117302672 643486608 /nfs/dbraw/zinc/48/66/08/643486608.db2.gz BJDCPTQHSNXZTN-AWEZNQCLSA-N 0 0 399.333 2.093 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)c2ccccc2Br)C[C@@H]1C ZINC000117368647 643489418 /nfs/dbraw/zinc/48/94/18/643489418.db2.gz XSCADWDMWITTPX-ZDUSSCGKSA-N 0 0 391.331 2.180 10 0 GEAERN Cc1cnn(CCNC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)c1 ZINC000117814771 643499883 /nfs/dbraw/zinc/49/98/83/643499883.db2.gz COCXQTYDHJRKBY-OAHLLOKOSA-N 0 0 378.885 2.176 10 0 GEAERN Cc1cnn(CCNC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)c1 ZINC000117814768 643499920 /nfs/dbraw/zinc/49/99/20/643499920.db2.gz COCXQTYDHJRKBY-HNNXBMFYSA-N 0 0 378.885 2.176 10 0 GEAERN C[C@@H](CNC(=O)c1cn(-c2ccc(Br)cc2)cn1)N1CCOCC1 ZINC000119044118 643531761 /nfs/dbraw/zinc/53/17/61/643531761.db2.gz SLJSLRNKSRDSKW-ZDUSSCGKSA-N 0 0 393.285 2.085 10 0 GEAERN CC(C)[C@H](C)NC(=O)C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000119083915 643534160 /nfs/dbraw/zinc/53/41/60/643534160.db2.gz GNXSBXCIASQDIH-NSHDSACASA-N 0 0 394.273 2.188 10 0 GEAERN Cn1cc([C@@H]2CCN(C(=O)C(=O)Nc3cc(F)ccc3Br)C2)cn1 ZINC000119632153 643561804 /nfs/dbraw/zinc/56/18/04/643561804.db2.gz ILDLAFXOYJOBFD-SNVBAGLBSA-N 0 0 395.232 2.276 10 0 GEAERN Cc1ccccc1[C@H](C)NC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000119836832 643574100 /nfs/dbraw/zinc/57/41/00/643574100.db2.gz ZEPXMWKJJXKMPX-KBPBESRZSA-N 0 0 382.507 2.252 10 0 GEAERN C[C@@H](NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl)[C@@H]1CCCO1 ZINC000122043093 643648715 /nfs/dbraw/zinc/64/87/15/643648715.db2.gz AJYJSGGOZRXEFY-MFKMUULPSA-N 0 0 395.308 2.346 10 0 GEAERN C[C@@H](NC(=O)c1ccco1)C(=O)OCCOc1cncc(Br)c1 ZINC000124443392 643686297 /nfs/dbraw/zinc/68/62/97/643686297.db2.gz JUEGFUJVEIORGW-SNVBAGLBSA-N 0 0 383.198 2.178 10 0 GEAERN CCc1nc(NC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)sc1C ZINC000124742767 643689499 /nfs/dbraw/zinc/68/94/99/643689499.db2.gz ULDAJAKRTPAPSW-VIFPVBQESA-N 0 0 378.479 2.080 10 0 GEAERN CCc1nn(C)c(Cl)c1CN1CCN(c2ncnc(Cl)c2NC)CC1 ZINC000124929718 643694175 /nfs/dbraw/zinc/69/41/75/643694175.db2.gz JPICNEKHXFKXHR-UHFFFAOYSA-N 0 0 384.315 2.443 10 0 GEAERN COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(F)cc2Br)C[C@@H]1C ZINC000124986958 643696764 /nfs/dbraw/zinc/69/67/64/643696764.db2.gz NXMYVTIIJZXJLS-WPRPVWTQSA-N 0 0 380.235 2.018 10 0 GEAERN CCc1nnc([C@H]2CN(C(=O)Nc3cncc(Br)c3)CCO2)[nH]1 ZINC000126258112 643726325 /nfs/dbraw/zinc/72/63/25/643726325.db2.gz MIDJBMDLJQXORW-LLVKDONJSA-N 0 0 381.234 2.130 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cc(C)ccc1Br ZINC000128157128 643794038 /nfs/dbraw/zinc/79/40/38/643794038.db2.gz XYFVFUUWHDDLAV-GFCCVEGCSA-N 0 0 385.287 2.471 10 0 GEAERN Cc1noc([C@H](C)N2CCN(C(=O)c3ccc(C)nc3Br)CC2)n1 ZINC000133200543 643892831 /nfs/dbraw/zinc/89/28/31/643892831.db2.gz UJFVIVHOZNEVMC-NSHDSACASA-N 0 0 394.273 2.363 10 0 GEAERN CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000156600221 644106217 /nfs/dbraw/zinc/10/62/17/644106217.db2.gz BJAGKCWXMSWGQN-AAEUAGOBSA-N 0 0 399.285 2.454 10 0 GEAERN O=C(Nc1ccc(Cl)cc1Br)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000156796255 644117799 /nfs/dbraw/zinc/11/77/99/644117799.db2.gz HDMZPENMHSEGGT-LLVKDONJSA-N 0 0 398.648 2.284 10 0 GEAERN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H](CO)c2ccccc2)cc1Cl ZINC000158472905 644146019 /nfs/dbraw/zinc/14/60/19/644146019.db2.gz XYQJQMHPQMOTFZ-OAHLLOKOSA-N 0 0 386.832 2.449 10 0 GEAERN Cc1cc(S(=O)(=O)NC[C@H](O)CN2CCc3ccccc3C2)c(C)s1 ZINC000158870339 644164738 /nfs/dbraw/zinc/16/47/38/644164738.db2.gz SUZVGLBFLFATIJ-KRWDZBQOSA-N 0 0 380.535 2.062 10 0 GEAERN COC(=O)[C@H](NC(=O)c1cncc(I)c1)c1ccccc1 ZINC000161914827 644225204 /nfs/dbraw/zinc/22/52/04/644225204.db2.gz WIGIZSBPTMAAJP-CYBMUJFWSA-N 0 0 396.184 2.330 10 0 GEAERN Cc1cnn(C[C@H]2CN(C(=O)Nc3ccc(Br)nc3)CCO2)c1 ZINC000166384032 644275205 /nfs/dbraw/zinc/27/52/05/644275205.db2.gz GKMDMFKOXYWBKN-CYBMUJFWSA-N 0 0 380.246 2.282 10 0 GEAERN C[C@@H]1C[C@@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000171068761 644306053 /nfs/dbraw/zinc/30/60/53/644306053.db2.gz YYTFMASOBGPLQW-RNCFNFMXSA-N 0 0 393.292 2.153 10 0 GEAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1ccc(Br)cn1 ZINC000171364821 644319920 /nfs/dbraw/zinc/31/99/20/644319920.db2.gz DHQUBLGXMPEZNF-GFCCVEGCSA-N 0 0 381.251 2.493 10 0 GEAERN C[C@@H]1CN(C(=O)C(=O)Nc2cccc(I)c2)CCS1 ZINC000171471431 644323718 /nfs/dbraw/zinc/32/37/18/644323718.db2.gz LVAUUXKWJAFNLA-SECBINFHSA-N 0 0 390.246 2.194 10 0 GEAERN C[C@H]1CN(C(=O)C(=O)Nc2ccccc2I)CCS1 ZINC000171471518 644324552 /nfs/dbraw/zinc/32/45/52/644324552.db2.gz VBLIXSZIMAVBJR-VIFPVBQESA-N 0 0 390.246 2.194 10 0 GEAERN C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)CCS1 ZINC000171582834 644328440 /nfs/dbraw/zinc/32/84/40/644328440.db2.gz NQSUTOMSZNUOJH-ZDUSSCGKSA-N 0 0 386.514 2.190 10 0 GEAERN COc1ccc(CN2CC[C@@H](N3CCOCC3)C2)c(Br)c1OC ZINC000172806855 644344513 /nfs/dbraw/zinc/34/45/13/644344513.db2.gz TWXWENQSXHAHLF-CQSZACIVSA-N 0 0 385.302 2.373 10 0 GEAERN COc1ccc(Br)cc1CC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173089849 644350611 /nfs/dbraw/zinc/35/06/11/644350611.db2.gz DPLFOPCVYCFUDS-CQSZACIVSA-N 0 0 395.257 2.027 10 0 GEAERN C[C@H](COCc1ccccc1)NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000173431598 644358082 /nfs/dbraw/zinc/35/80/82/644358082.db2.gz QJDYWOPPMFNHSO-GFCCVEGCSA-N 0 0 382.869 2.323 10 0 GEAERN Cn1cc([C@H]2CCCN2Cn2nc(Br)nc2Br)cn1 ZINC000175235208 644387190 /nfs/dbraw/zinc/38/71/90/644387190.db2.gz WUFMXTNQEIRXIT-SECBINFHSA-N 0 0 390.083 2.331 10 0 GEAERN C[C@H](NC(=O)c1cccn2c(I)cnc12)[C@H]1CCCO1 ZINC000176808397 644405545 /nfs/dbraw/zinc/40/55/45/644405545.db2.gz IEUBUZSDZOQTFN-GXSJLCMTSA-N 0 0 385.205 2.236 10 0 GEAERN Brc1nc(Br)n(CN2CCO[C@H]3CCCC[C@H]32)n1 ZINC000176878943 644406724 /nfs/dbraw/zinc/40/67/24/644406724.db2.gz UMVDGDCCMZHNLE-BDAKNGLRSA-N 0 0 380.084 2.404 10 0 GEAERN Brc1nc(Br)n(CN2CCO[C@@H]3CCCC[C@H]32)n1 ZINC000176878925 644407112 /nfs/dbraw/zinc/40/71/12/644407112.db2.gz UMVDGDCCMZHNLE-RKDXNWHRSA-N 0 0 380.084 2.404 10 0 GEAERN COc1ccc(Br)c(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2CO)c1 ZINC000177550239 644417196 /nfs/dbraw/zinc/41/71/96/644417196.db2.gz GDFYDJURFYLSIT-ZWNOBZJWSA-N 0 0 385.258 2.064 10 0 GEAERN Cc1ccc(C(=O)N[C@H]2CCCn3ncnc32)cc1I ZINC000177556521 644417766 /nfs/dbraw/zinc/41/77/66/644417766.db2.gz XKKXCPAMXMMPFY-LBPRGKRZSA-N 0 0 382.205 2.456 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1Cl)CC2 ZINC000177641044 644421434 /nfs/dbraw/zinc/42/14/34/644421434.db2.gz JVKDNGQRUXCARX-JTQLQIEISA-N 0 0 382.251 2.217 10 0 GEAERN O=C(Nc1ccc(Cl)cc1Cl)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000177652937 644422837 /nfs/dbraw/zinc/42/28/37/644422837.db2.gz MRMXLDKNMLMXPG-LBPRGKRZSA-N 0 0 383.235 2.056 10 0 GEAERN O=C(Nc1cc(Cl)ccc1Cl)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000177652392 644422910 /nfs/dbraw/zinc/42/29/10/644422910.db2.gz VJUXUDOBZIZUAH-GFCCVEGCSA-N 0 0 383.235 2.056 10 0 GEAERN CC(C)CS(=O)(=O)CCC(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000180120009 644489757 /nfs/dbraw/zinc/48/97/57/644489757.db2.gz RWOYFWUBWAJOLF-BBRMVZONSA-N 0 0 375.437 2.060 10 0 GEAERN CCS(=O)(=O)c1ccc(Br)c(C(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000181130956 644524905 /nfs/dbraw/zinc/52/49/05/644524905.db2.gz ODPMHHSUBMZGRU-GHMZBOCLSA-N 0 0 390.299 2.492 10 0 GEAERN O=S(=O)(N[C@H](CO)c1ccccc1)c1ccc(OCC(F)(F)F)nc1 ZINC000182926134 644975794 /nfs/dbraw/zinc/97/57/94/644975794.db2.gz GLLRLTMXSTZYGA-CYBMUJFWSA-N 0 0 376.356 2.035 10 0 GEAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(Cl)(Cl)Cl ZINC000184586059 645021764 /nfs/dbraw/zinc/02/17/64/645021764.db2.gz DKLRFENQPJUKLS-ZETCQYMHSA-N 0 0 385.656 2.027 10 0 GEAERN C[C@@H](CCS(C)(=O)=O)OC(=O)[C@H]1COc2ccc(Br)cc21 ZINC000185794164 645053769 /nfs/dbraw/zinc/05/37/69/645053769.db2.gz CDFDQMPWHYEYQU-CABZTGNLSA-N 0 0 377.256 2.292 10 0 GEAERN Cc1ccc(Br)c(S(=O)(=O)N2CC(NC(=O)C3CCC3)C2)c1 ZINC000186178333 645062355 /nfs/dbraw/zinc/06/23/55/645062355.db2.gz YUMWFDYSWHSDJT-UHFFFAOYSA-N 0 0 387.299 2.047 10 0 GEAERN COc1cc(Cl)c(S(=O)(=O)N2CC(NC(=O)C3CCC3)C2)cc1Cl ZINC000186177348 645062467 /nfs/dbraw/zinc/06/24/67/645062467.db2.gz MMFKWQMWXBZEOE-UHFFFAOYSA-N 0 0 393.292 2.291 10 0 GEAERN COc1nc(C)c(Br)cc1C(=O)N1CCOC[C@@H]1c1nc(C)no1 ZINC000187041074 645080662 /nfs/dbraw/zinc/08/06/62/645080662.db2.gz PDTCUPNYHYDRHM-GFCCVEGCSA-N 0 0 397.229 2.066 10 0 GEAERN Cc1nc(-c2ccc(S(=O)(=O)N3CC(NC(=O)C4CC4)C3)s2)cs1 ZINC000187927519 645100603 /nfs/dbraw/zinc/10/06/03/645100603.db2.gz KOSQYXONRCDUMW-UHFFFAOYSA-N 0 0 383.520 2.079 10 0 GEAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2nc(Br)cs2)ncn1 ZINC000188895364 645128347 /nfs/dbraw/zinc/12/83/47/645128347.db2.gz WRSKERXXQXHPPP-SECBINFHSA-N 0 0 397.302 2.136 10 0 GEAERN Cc1cc(NC(=O)C(=O)N[C@H]2CCCn3ncnc32)cc(C)c1Br ZINC000190615456 645161260 /nfs/dbraw/zinc/16/12/60/645161260.db2.gz ZRWYWJYJVSQZLP-LBPRGKRZSA-N 0 0 392.257 2.247 10 0 GEAERN CCOCCN1CCN(C(=O)c2ncc(Br)s2)C[C@@H]1CC ZINC000192424737 645204749 /nfs/dbraw/zinc/20/47/49/645204749.db2.gz NFQBZLHYTSKCBH-NSHDSACASA-N 0 0 376.320 2.479 10 0 GEAERN Cc1cnn([C@H]2CCCN(C(=O)C(=O)Nc3ccc(Br)cn3)C2)c1 ZINC000193476034 645276958 /nfs/dbraw/zinc/27/69/58/645276958.db2.gz VHGIFOAQIKBCGT-ZDUSSCGKSA-N 0 0 392.257 2.151 10 0 GEAERN CCc1nnc(CSc2nnc(-c3cccc(Br)c3)n2N)n1C ZINC000194678258 645342006 /nfs/dbraw/zinc/34/20/06/645342006.db2.gz FJZYPDDODKQGKP-UHFFFAOYSA-N 0 0 394.302 2.405 10 0 GEAERN O=C(c1ccc(Br)cc1Br)N1CCOC[C@H]1CO ZINC000236515803 645411198 /nfs/dbraw/zinc/41/11/98/645411198.db2.gz DDYAVPOTUHFQSW-SECBINFHSA-N 0 0 379.048 2.045 10 0 GEAERN Cn1cnnc1[C@H]1CCCN1C[C@@H](O)COc1cccc(Br)c1 ZINC000245753799 645469022 /nfs/dbraw/zinc/46/90/22/645469022.db2.gz ZEWHTKFXIMZHPH-UKRRQHHQSA-N 0 0 381.274 2.154 10 0 GEAERN C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C[C@H]1N1CCOCC1 ZINC000246370602 645481323 /nfs/dbraw/zinc/48/13/23/645481323.db2.gz AAORCLSNRFLZBB-IUODEOHRSA-N 0 0 378.416 2.047 10 0 GEAERN C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@H]1N1CCOCC1 ZINC000246387732 645481999 /nfs/dbraw/zinc/48/19/99/645481999.db2.gz BTBVREAZEMZPMN-XHDPSFHLSA-N 0 0 379.309 2.335 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000246605020 645487126 /nfs/dbraw/zinc/48/71/26/645487126.db2.gz URAHCKKYSZKOQO-BMFZPTHFSA-N 0 0 386.539 2.241 10 0 GEAERN CCOCCN1CCN(Cc2ccc(S(=O)(=O)C(F)F)cc2)C[C@H]1C ZINC000246912081 645497530 /nfs/dbraw/zinc/49/75/30/645497530.db2.gz AFRGTEKPBYSHHX-CQSZACIVSA-N 0 0 376.469 2.226 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)c2cc(OC)ccc2Cl)C[C@H]1C ZINC000246980565 645500215 /nfs/dbraw/zinc/50/02/15/645500215.db2.gz FLHFFLPWZWZFGN-CYBMUJFWSA-N 0 0 376.906 2.080 10 0 GEAERN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[C@@H](O)COc1cccc(Br)c1 ZINC000247744253 645517176 /nfs/dbraw/zinc/51/71/76/645517176.db2.gz QJWCVLXDAJWWEG-BPLDGKMQSA-N 0 0 380.238 2.140 10 0 GEAERN CC(C)[C@H](SC[C@@H](O)c1ccccc1)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000248169317 645522583 /nfs/dbraw/zinc/52/25/83/645522583.db2.gz QXVXMQVWWNHADG-RYRKJORJSA-N 0 0 385.551 2.171 10 0 GEAERN COC(=O)[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000248469928 645528509 /nfs/dbraw/zinc/52/85/09/645528509.db2.gz HLYOOHIFVFWYQD-JTNHKYCSSA-N 0 0 386.217 2.297 10 0 GEAERN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N=c2sccn2C)cc1 ZINC000255891812 645586596 /nfs/dbraw/zinc/58/65/96/645586596.db2.gz XWKCWBLXGBEVAX-HNNXBMFYSA-N 0 0 381.523 2.216 10 0 GEAERN Cc1cc(S(=O)(=O)N2CCC[C@H]([N@H+](C)CC(=O)[O-])CC2)c(Cl)cc1F ZINC000262953762 645648871 /nfs/dbraw/zinc/64/88/71/645648871.db2.gz JEUYCAFAKMNCRT-LBPRGKRZSA-N 0 0 392.880 2.347 10 0 GEAERN CC[C@H](NC(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1)c1ccc(Cl)s1 ZINC000263221055 645657675 /nfs/dbraw/zinc/65/76/75/645657675.db2.gz KQJBDSCHDJSPSK-RYUDHWBXSA-N 0 0 389.905 2.279 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NCc2ccsc2Br)C1 ZINC000263368702 645662343 /nfs/dbraw/zinc/66/23/43/645662343.db2.gz MGLJRMGMKPMYPZ-UHFFFAOYSA-N 0 0 390.303 2.247 10 0 GEAERN O=C(N[C@H]1CCc2cc(Br)ccc21)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000332968450 647457030 /nfs/dbraw/zinc/45/70/30/647457030.db2.gz ICYCJQYONVSKBU-ABAIWWIYSA-N 0 0 389.253 2.329 10 0 GEAERN C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Br)c1)c1cn(C)nn1 ZINC000720524121 651476037 /nfs/dbraw/zinc/47/60/37/651476037.db2.gz OKUSNEBXMPBGHV-SSDOTTSWSA-N 0 0 379.667 2.271 10 0 GEAERN O=C(N[C@@H]1CCOC[C@@H]1O)c1scc(Br)c1Br ZINC000629240653 652481972 /nfs/dbraw/zinc/48/19/72/652481972.db2.gz QEUQJRYCJNLDEM-RQJHMYQMSA-N 0 0 385.077 2.153 10 0 GEAERN O=C(N[C@H]1CCOC[C@@H]1O)c1ccc(Br)cc1Br ZINC000629247285 652482673 /nfs/dbraw/zinc/48/26/73/652482673.db2.gz XDMMFYLBYIHQAU-QWRGUYRKSA-N 0 0 379.048 2.091 10 0 GEAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cc(Cl)nc(Cl)c2)C1 ZINC000702796748 653320404 /nfs/dbraw/zinc/32/04/04/653320404.db2.gz OQGPHWNAQQAPHL-WDEREUQCSA-N 0 0 390.267 2.346 10 0 GEAERN CCOC(=O)c1ncc(Br)c(N2C[C@H](OC)C[C@H]2c2ncc[nH]2)n1 ZINC000894319308 654464978 /nfs/dbraw/zinc/46/49/78/654464978.db2.gz QODBOEWIDVRQOX-KOLCDFICSA-N 0 0 396.245 2.105 10 0 GEAERN NC(=O)[C@@H](c1ccc(Br)cc1)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000931120601 654729918 /nfs/dbraw/zinc/72/99/18/654729918.db2.gz BLFBVEDJJJOLHW-GDBMZVCRSA-N 0 0 390.285 2.391 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N(C)Cc1cc(Br)cn1C ZINC000152040603 531526857 /nfs/dbraw/zinc/52/68/57/531526857.db2.gz BNBPMUSHXJIAGT-CYBMUJFWSA-N 0 0 381.278 2.364 10 0 GEAERN CS(=O)(=O)c1cc(Br)cc(C(=O)N[C@H]2CCCC[C@H]2O)c1F ZINC000152191696 531536827 /nfs/dbraw/zinc/53/68/27/531536827.db2.gz WSARULUSFIFKJC-WDEREUQCSA-N 0 0 394.262 2.025 10 0 GEAERN Cc1ccc(C(=O)N[C@H]2CCCN(c3cccnn3)C2)c(Br)n1 ZINC000152237177 531538809 /nfs/dbraw/zinc/53/88/09/531538809.db2.gz SNXHLLIWNFUFMD-LBPRGKRZSA-N 0 0 376.258 2.341 10 0 GEAERN COC(=O)[C@@H]1CCCN(C(=O)c2c(F)cccc2I)C1 ZINC000152724200 531567356 /nfs/dbraw/zinc/56/73/56/531567356.db2.gz XGTLTCHKWZSRSI-SECBINFHSA-N 0 0 391.180 2.456 10 0 GEAERN COc1ccc(Br)c(C(=O)NCCCNC(=O)[C@@H]2CC[C@H](C)O2)c1 ZINC000153825465 531609936 /nfs/dbraw/zinc/60/99/36/531609936.db2.gz CLNMKGUIQZIMRX-NHYWBVRUSA-N 0 0 399.285 2.261 10 0 GEAERN C[C@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1cccc(Br)c1 ZINC000030465295 531637385 /nfs/dbraw/zinc/63/73/85/531637385.db2.gz NEUTUJUFMFRFAH-BTDLBPIBSA-N 0 0 394.269 2.347 10 0 GEAERN NS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000045614041 531694762 /nfs/dbraw/zinc/69/47/62/531694762.db2.gz QMBKASXCUAYTDT-VXGBXAGGSA-N 0 0 379.404 2.254 10 0 GEAERN NC(=O)[C@@H](c1cccc(Br)c1)N1CCC(Nc2cccnn2)CC1 ZINC000156966699 531729683 /nfs/dbraw/zinc/72/96/83/531729683.db2.gz OVPPRQMKEAFTQO-MRXNPFEDSA-N 0 0 390.285 2.342 10 0 GEAERN C[C@@H](NC(=O)Nc1cc(Br)c(=O)n(C)c1)C(=O)N1CCCC[C@H]1C ZINC000156204853 531720707 /nfs/dbraw/zinc/72/07/07/531720707.db2.gz ZIAQCKHHUCERFG-GHMZBOCLSA-N 0 0 399.289 2.059 10 0 GEAERN NS(=O)(=O)c1cccc(CNC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000048446704 531732800 /nfs/dbraw/zinc/73/28/00/531732800.db2.gz MEISTWMQJXURHX-NWDGAFQWSA-N 0 0 379.404 2.254 10 0 GEAERN O=C(Nc1ccc(Cl)cc1)C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000056442248 531814250 /nfs/dbraw/zinc/81/42/50/531814250.db2.gz ZRCWUZRZNGUMGV-CQSZACIVSA-N 0 0 378.837 2.313 10 0 GEAERN CCc1nc2n(n1)CCC[C@H]2N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000162251347 531838921 /nfs/dbraw/zinc/83/89/21/531838921.db2.gz SVHXUSLPOVOSAV-OCCSQVGLSA-N 0 0 378.274 2.254 10 0 GEAERN COC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000162742606 531849783 /nfs/dbraw/zinc/84/97/83/531849783.db2.gz OSZWQQJUZNIPEU-LLVKDONJSA-N 0 0 389.633 2.205 10 0 GEAERN C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c2ccccc21 ZINC000162318836 531841173 /nfs/dbraw/zinc/84/11/73/531841173.db2.gz ZJZFICPWBAHEKV-YVEFUNNKSA-N 0 0 380.491 2.251 10 0 GEAERN O=C(CNC(=O)c1ccc(Br)s1)N[C@@H]1COc2ccccc21 ZINC000060471932 531843974 /nfs/dbraw/zinc/84/39/74/531843974.db2.gz LJNKYKARZORPSK-SNVBAGLBSA-N 0 0 381.251 2.490 10 0 GEAERN COC(=O)[C@H]1CCCCN1C(=O)C(=O)Nc1cc(F)ccc1Br ZINC000163574245 531860365 /nfs/dbraw/zinc/86/03/65/531860365.db2.gz MHOVGYRUGNZXDA-GFCCVEGCSA-N 0 0 387.205 2.081 10 0 GEAERN COC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(Br)c(C)c1 ZINC000163587067 531861774 /nfs/dbraw/zinc/86/17/74/531861774.db2.gz PCIQWPCUHBGAEJ-ZDUSSCGKSA-N 0 0 383.242 2.250 10 0 GEAERN CCN1CCO[C@@H](CNCc2ncc(Br)cc2Br)C1 ZINC000165912661 531874749 /nfs/dbraw/zinc/87/47/49/531874749.db2.gz MNCQLWZXRZGYHI-NSHDSACASA-N 0 0 393.123 2.417 10 0 GEAERN COc1ccc(Cl)cc1CNC(=O)CN1CCO[C@H](c2nccs2)C1 ZINC000171663273 531909933 /nfs/dbraw/zinc/90/99/33/531909933.db2.gz KUGPCOKVOQKXRH-HNNXBMFYSA-N 0 0 381.885 2.495 10 0 GEAERN C[C@@H]1CN(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CCS1 ZINC000171688415 531911648 /nfs/dbraw/zinc/91/16/48/531911648.db2.gz AQTSZRPOJBPTCY-GFCCVEGCSA-N 0 0 389.352 2.474 10 0 GEAERN NC(=O)CN(Cc1ccccc1)C[C@H](O)COc1cccc(Br)c1 ZINC000171828830 531919238 /nfs/dbraw/zinc/91/92/38/531919238.db2.gz PTLVAVOGMSYFRJ-INIZCTEOSA-N 0 0 393.281 2.176 10 0 GEAERN CSc1ncc(Cl)c(C(=O)N2CCO[C@H](Cn3nc(C)cc3C)C2)n1 ZINC000171858322 531920926 /nfs/dbraw/zinc/92/09/26/531920926.db2.gz RAKJGRBCGIOMOP-LBPRGKRZSA-N 0 0 381.889 2.206 10 0 GEAERN C[C@H](NC(=O)CCCN1C(=O)CN(C)C1=O)c1ccccc1Br ZINC000079119258 531922067 /nfs/dbraw/zinc/92/20/67/531922067.db2.gz HSHGDAQSOUQSBW-NSHDSACASA-N 0 0 382.258 2.301 10 0 GEAERN O=C(NCc1ccc(F)cc1Br)N1CCO[C@@H](Cn2cccn2)C1 ZINC000171903912 531922757 /nfs/dbraw/zinc/92/27/57/531922757.db2.gz RVDGKONKFLQACN-CQSZACIVSA-N 0 0 397.248 2.395 10 0 GEAERN CC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(F)cc2Br)C1 ZINC000071933661 531914649 /nfs/dbraw/zinc/91/46/49/531914649.db2.gz WZCAJFSMGGQTOI-ZWNOBZJWSA-N 0 0 387.249 2.483 10 0 GEAERN Cc1cnn(C[C@@H]2CN(C(=O)c3ccc(Br)cc3O)CCO2)c1 ZINC000112117760 531945132 /nfs/dbraw/zinc/94/51/32/531945132.db2.gz VSMXIQSHMZVJIT-ZDUSSCGKSA-N 0 0 380.242 2.201 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)OCc1ccc(Br)cn1 ZINC000112207791 531946099 /nfs/dbraw/zinc/94/60/99/531946099.db2.gz BGLMOKKTWYAZLV-ZDUSSCGKSA-N 0 0 391.287 2.092 10 0 GEAERN C[C@H](CNc1ncnc2ccc(I)cc21)N1CCOCC1 ZINC000172380410 531949132 /nfs/dbraw/zinc/94/91/32/531949132.db2.gz UVMZZQJIOKPZSG-LLVKDONJSA-N 0 0 398.248 2.367 10 0 GEAERN Cc1c(Br)c2ccccc2n1CC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112654974 531949867 /nfs/dbraw/zinc/94/98/67/531949867.db2.gz KUFVKQUAGZAWGX-GFCCVEGCSA-N 0 0 388.269 2.435 10 0 GEAERN O=C(c1n[nH]c2ccc(Br)cc21)N1CCC[C@@H](Cn2cncn2)C1 ZINC000172398149 531950693 /nfs/dbraw/zinc/95/06/93/531950693.db2.gz ZOWODZDMTLAHJO-LLVKDONJSA-N 0 0 389.257 2.469 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccccc1I)CC2 ZINC000114862491 531957047 /nfs/dbraw/zinc/95/70/47/531957047.db2.gz BJDJXGVLDBQQRP-JTQLQIEISA-N 0 0 396.232 2.190 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)COc1cccc(Br)c1)CC2 ZINC000114867815 531957618 /nfs/dbraw/zinc/95/76/18/531957618.db2.gz MDILIWJDBJPNML-GFCCVEGCSA-N 0 0 379.258 2.113 10 0 GEAERN C[C@](O)(CNC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21)c1cccs1 ZINC000172470696 531953969 /nfs/dbraw/zinc/95/39/69/531953969.db2.gz LIXQKMRSRAEDGZ-DYVFJYSZSA-N 0 0 380.491 2.174 10 0 GEAERN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC[C@H](n2cncn2)C1 ZINC000114209523 531955561 /nfs/dbraw/zinc/95/55/61/531955561.db2.gz OBEINQVAVFETCO-NSHDSACASA-N 0 0 376.360 2.203 10 0 GEAERN COc1ccc(C(=O)N[C@@H]2CCCn3ncnc32)cc1I ZINC000120244573 531978932 /nfs/dbraw/zinc/97/89/32/531978932.db2.gz BWXAWOKDBVJAKI-LLVKDONJSA-N 0 0 398.204 2.156 10 0 GEAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000173137226 531990125 /nfs/dbraw/zinc/99/01/25/531990125.db2.gz NHYVRUUISGQWPA-ICCXJUOJSA-N 0 0 383.242 2.084 10 0 GEAERN Cc1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)o1 ZINC000173300185 532002895 /nfs/dbraw/zinc/00/28/95/532002895.db2.gz VSQIHOHRAYBKKD-HNNXBMFYSA-N 0 0 384.479 2.151 10 0 GEAERN Cc1c(Cl)cc(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)cc1Cl ZINC000173351140 532005620 /nfs/dbraw/zinc/00/56/20/532005620.db2.gz FDGOKBZEKNFLDV-ZDUSSCGKSA-N 0 0 386.279 2.173 10 0 GEAERN Cc1csc([C@H]2CCCN(C(=O)c3ccc(C)c(S(N)(=O)=O)c3)C2)n1 ZINC000173375859 532007345 /nfs/dbraw/zinc/00/73/45/532007345.db2.gz IKDUIOGVVWNQMZ-AWEZNQCLSA-N 0 0 379.507 2.427 10 0 GEAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc(Br)c[nH]2)ncn1 ZINC000173424751 532009713 /nfs/dbraw/zinc/00/97/13/532009713.db2.gz OCODCOGGTCFBHV-LLVKDONJSA-N 0 0 379.262 2.008 10 0 GEAERN C[C@H]1CN(C(=O)c2cc3sc(N(C)C)nc3s2)C[C@@H]1N1CCOCC1 ZINC000173401011 532009968 /nfs/dbraw/zinc/00/99/68/532009968.db2.gz LLKZJJGTOGAUEL-RYUDHWBXSA-N 0 0 380.539 2.217 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)[C@@H](C)Oc2cccc(Br)c2)CC1 ZINC000173585768 532020824 /nfs/dbraw/zinc/02/08/24/532020824.db2.gz XTLCPVSCLIVUBK-HIFRSBDPSA-N 0 0 385.302 2.132 10 0 GEAERN CCc1nccn1[C@H]1CCCN(C(=O)c2c[nH]c(=O)c(Br)c2)C1 ZINC000173572075 532021692 /nfs/dbraw/zinc/02/16/92/532021692.db2.gz KLPGFCSMVBCERW-LBPRGKRZSA-N 0 0 379.258 2.374 10 0 GEAERN O=C(CN1C(=S)N=NC1c1cccs1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000121319788 532023626 /nfs/dbraw/zinc/02/36/26/532023626.db2.gz CACXHEMHMOSTKB-SJKOYZFVSA-N 0 0 378.523 2.449 10 0 GEAERN Cc1nnc([C@@H]2CN(CCC(=O)Nc3cccc(Br)c3)CCO2)[nH]1 ZINC000173716521 532028031 /nfs/dbraw/zinc/02/80/31/532028031.db2.gz LIDXCMIHNIENBQ-AWEZNQCLSA-N 0 0 394.273 2.278 10 0 GEAERN Cc1csc([C@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)C2)n1 ZINC000173720266 532029793 /nfs/dbraw/zinc/02/97/93/532029793.db2.gz MPAZBXDERZVYFX-NSHDSACASA-N 0 0 378.479 2.189 10 0 GEAERN CCc1nnc([C@@H]2CN(S(=O)(=O)c3c(Cl)cccc3Cl)CCO2)[nH]1 ZINC000173839794 532037380 /nfs/dbraw/zinc/03/73/80/532037380.db2.gz FATXMAHGEWIAAI-NSHDSACASA-N 0 0 391.280 2.436 10 0 GEAERN O=S(=O)(c1cc2c(cc1Cl)OCCO2)N1CCC[C@H]1Cn1ccnc1 ZINC000173837073 532037834 /nfs/dbraw/zinc/03/78/34/532037834.db2.gz HJUOLJOGAJJRMN-LBPRGKRZSA-N 0 0 383.857 2.161 10 0 GEAERN O=C(NCc1ccc(F)cc1Br)N1CC[C@H](N2CCOCC2)C1 ZINC000173884191 532040628 /nfs/dbraw/zinc/04/06/28/532040628.db2.gz KBJVUKPNAHULEF-AWEZNQCLSA-N 0 0 386.265 2.204 10 0 GEAERN O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCC[C@@H](n2cncn2)C1 ZINC000173983926 532043298 /nfs/dbraw/zinc/04/32/98/532043298.db2.gz UREDEBUHLOZVGD-LLVKDONJSA-N 0 0 378.351 2.462 10 0 GEAERN C[C@@H](NS(=O)(=O)c1ccccc1Br)c1nnc2n1CCCC2 ZINC000121742153 532045214 /nfs/dbraw/zinc/04/52/14/532045214.db2.gz GCDJZYSGKIGZHT-SNVBAGLBSA-N 0 0 385.287 2.416 10 0 GEAERN O=S(=O)(Cc1c(Cl)cccc1Cl)N1CC[C@@H](N2CCOCC2)C1 ZINC000174001596 532045396 /nfs/dbraw/zinc/04/53/96/532045396.db2.gz BOQMJZARZDVWFH-GFCCVEGCSA-N 0 0 379.309 2.230 10 0 GEAERN COc1c(Br)c(C)sc1C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000173956676 532043464 /nfs/dbraw/zinc/04/34/64/532043464.db2.gz YXSZANYMDZPFRB-NXEZZACHSA-N 0 0 391.331 2.355 10 0 GEAERN Cc1nnc([C@H]2CN(C[C@H](O)COc3c(Cl)cccc3Cl)CCO2)[nH]1 ZINC000174099358 532048541 /nfs/dbraw/zinc/04/85/41/532048541.db2.gz OVTSARSUKDUHFD-SMDDNHRTSA-N 0 0 387.267 2.233 10 0 GEAERN C[C@@H](O)CN1CCN(C(=O)c2cc(Br)cnc2Cl)C[C@H]1C ZINC000174288094 532060013 /nfs/dbraw/zinc/06/00/13/532060013.db2.gz QPRGWTNZNNDNDB-NXEZZACHSA-N 0 0 376.682 2.025 10 0 GEAERN O=C(NCCOc1ccc(Br)cc1)N1CCC[C@H](n2cncn2)C1 ZINC000174411396 532064220 /nfs/dbraw/zinc/06/42/20/532064220.db2.gz FQOQIYMTQRLVNN-AWEZNQCLSA-N 0 0 394.273 2.466 10 0 GEAERN CCN(C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000122553501 532074130 /nfs/dbraw/zinc/07/41/30/532074130.db2.gz FWYAAEACSZOGOK-KBPBESRZSA-N 0 0 378.416 2.379 10 0 GEAERN O=C(Nc1cc(F)c(Br)cc1F)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000123073320 532091598 /nfs/dbraw/zinc/09/15/98/532091598.db2.gz CSBCHBSPJDKNFV-PRHODGIISA-N 0 0 391.212 2.333 10 0 GEAERN CN(C[C@H](c1cccs1)N1CCOCC1)S(=O)(=O)N1CCCCCC1 ZINC000175212812 532092406 /nfs/dbraw/zinc/09/24/06/532092406.db2.gz QUPJEBLMFFEIKL-MRXNPFEDSA-N 0 0 387.571 2.174 10 0 GEAERN O=C(Cc1c[nH]c2cc(Br)ccc12)N1CC[C@@H](N2CCOCC2)C1 ZINC000123147801 532094544 /nfs/dbraw/zinc/09/45/44/532094544.db2.gz RFLROKJPKZPJOI-OAHLLOKOSA-N 0 0 392.297 2.406 10 0 GEAERN COc1nc(N2CCN(C(=O)N[C@H](C)C(C)C)CC2)ncc1Br ZINC000175297116 532098197 /nfs/dbraw/zinc/09/81/97/532098197.db2.gz INGMBPOULRWNNS-LLVKDONJSA-N 0 0 386.294 2.124 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)NCCc3ccc(Br)cc3)CCO2)[nH]1 ZINC000175547351 532107042 /nfs/dbraw/zinc/10/70/42/532107042.db2.gz KWAUJNHHDRCLIA-CQSZACIVSA-N 0 0 394.273 2.201 10 0 GEAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)cc1C(C)C ZINC000123498248 532100020 /nfs/dbraw/zinc/10/00/20/532100020.db2.gz VSSLUKQAUMQIIF-AWEZNQCLSA-N 0 0 396.285 2.248 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Cc1cccc(I)c1 ZINC000124370250 532119679 /nfs/dbraw/zinc/11/96/79/532119679.db2.gz RLCMROATYNQHNC-CYBMUJFWSA-N 0 0 396.232 2.385 10 0 GEAERN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000175707473 532112075 /nfs/dbraw/zinc/11/20/75/532112075.db2.gz YUWJHVXXIARISD-BXKDBHETSA-N 0 0 382.251 2.355 10 0 GEAERN C[C@H]1CN(C(=O)NCc2cccc(Br)c2)C[C@@H]1N1CCOCC1 ZINC000175728161 532112755 /nfs/dbraw/zinc/11/27/55/532112755.db2.gz JVVWAMTWNBWIIV-BBRMVZONSA-N 0 0 382.302 2.311 10 0 GEAERN COc1ccc(Br)cc1CNC(=O)N[C@H]1CCCn2ncnc21 ZINC000176467424 532138519 /nfs/dbraw/zinc/13/85/19/532138519.db2.gz GCPJDHPSTXCLNV-LBPRGKRZSA-N 0 0 380.246 2.384 10 0 GEAERN O=C(N[C@@H]1CCCn2ncnc21)c1c(F)cccc1I ZINC000124620394 532126604 /nfs/dbraw/zinc/12/66/04/532126604.db2.gz UHJPERIELBAVFT-SNVBAGLBSA-N 0 0 386.168 2.287 10 0 GEAERN COC[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)OC ZINC000176251309 532131953 /nfs/dbraw/zinc/13/19/53/532131953.db2.gz ASILEIDIFBXSBE-BMIGLBTASA-N 0 0 397.269 2.413 10 0 GEAERN O=S(=O)(/C=C/c1ccc(Br)cc1)N[C@H]1CCCn2ncnc21 ZINC000176745031 532148968 /nfs/dbraw/zinc/14/89/68/532148968.db2.gz NKKMHWMTCANHNO-XOVSCCBYSA-N 0 0 383.271 2.466 10 0 GEAERN C[C@H](NC(=O)NCCN1CCCS1(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000127690588 532157176 /nfs/dbraw/zinc/15/71/76/532157176.db2.gz XNWIGEDVLKQRRX-JTQLQIEISA-N 0 0 380.297 2.389 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccccc1I ZINC000177712930 532180432 /nfs/dbraw/zinc/18/04/32/532180432.db2.gz MTKKBUFFOFZGRH-GFCCVEGCSA-N 0 0 382.205 2.456 10 0 GEAERN C[C@@H](CNC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1)N1CCOCC1 ZINC000129716895 532183184 /nfs/dbraw/zinc/18/31/84/532183184.db2.gz VOKDFYSAZAHHBZ-ZDUSSCGKSA-N 0 0 390.311 2.218 10 0 GEAERN C[C@@H](CNC(=O)Cc1c[nH]c2cccc(Br)c12)N1CCOCC1 ZINC000129902161 532185593 /nfs/dbraw/zinc/18/55/93/532185593.db2.gz OCUPJQQOKKHICZ-LBPRGKRZSA-N 0 0 380.286 2.310 10 0 GEAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)CCN1C[C@@H](C)O ZINC000177615430 532177735 /nfs/dbraw/zinc/17/77/35/532177735.db2.gz NXOMPFLNHPHKQF-DGCLKSJQSA-N 0 0 388.295 2.236 10 0 GEAERN COc1ccc(Br)c(CC(=O)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000178107565 532193676 /nfs/dbraw/zinc/19/36/76/532193676.db2.gz XBXUOYHLGXFUQF-CYBMUJFWSA-N 0 0 379.258 2.455 10 0 GEAERN Cc1cc(N2CCC[C@H](NCc3cc(O)ccc3Br)C2=O)n(C)n1 ZINC000178168469 532195378 /nfs/dbraw/zinc/19/53/78/532195378.db2.gz PVRQZFUPEARVBE-HNNXBMFYSA-N 0 0 393.285 2.482 10 0 GEAERN Cc1nccn1C[C@@H]1CCCN1C(=O)Nc1cc(Br)cn(C)c1=O ZINC000177972282 532189039 /nfs/dbraw/zinc/18/90/39/532189039.db2.gz ZFUUXGKAIIUAPH-ZDUSSCGKSA-N 0 0 394.273 2.349 10 0 GEAERN CNC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)C(C)C ZINC000178691382 532209967 /nfs/dbraw/zinc/20/99/67/532209967.db2.gz MWAPRFBEQLIHFW-MEBBXXQBSA-N 0 0 386.279 2.233 10 0 GEAERN CS(=O)(=O)N1CCC(CNC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000132134300 532210030 /nfs/dbraw/zinc/21/00/30/532210030.db2.gz BMWYDSGBYFSAHO-CHWSQXEVSA-N 0 0 385.452 2.078 10 0 GEAERN CNC(=O)[C@H](NC(=O)COc1ccc(Br)cc1Cl)C(C)C ZINC000178700694 532210101 /nfs/dbraw/zinc/21/01/01/532210101.db2.gz PKHRBDZGATXFQO-CYBMUJFWSA-N 0 0 377.666 2.368 10 0 GEAERN Cc1cccc(S(=O)(=O)N2CCC[C@H](n3cncn3)C2)c1Br ZINC000178892615 532216023 /nfs/dbraw/zinc/21/60/23/532216023.db2.gz IPKXXMFKNBLRID-LBPRGKRZSA-N 0 0 385.287 2.375 10 0 GEAERN CNC(=O)[C@H](NC(=O)Nc1ccccc1I)C(C)C ZINC000178897370 532216468 /nfs/dbraw/zinc/21/64/68/532216468.db2.gz BVNRBBAUTKDMNX-LLVKDONJSA-N 0 0 375.210 2.183 10 0 GEAERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000178961499 532218657 /nfs/dbraw/zinc/21/86/57/532218657.db2.gz VEQKGOFXVOVUBW-ZDUSSCGKSA-N 0 0 399.289 2.013 10 0 GEAERN Cc1cc(C(=O)CN2CCS(=O)(=O)[C@H](C)[C@@H]2C)c(C)n1-c1nccs1 ZINC000131773473 532203021 /nfs/dbraw/zinc/20/30/21/532203021.db2.gz QUDPVKZVYQPGJC-GXTWGEPZSA-N 0 0 381.523 2.241 10 0 GEAERN O=C(Nc1ccccc1Cl)C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000178532524 532203949 /nfs/dbraw/zinc/20/39/49/532203949.db2.gz NQFDXWFEVLHMKP-CYBMUJFWSA-N 0 0 378.837 2.313 10 0 GEAERN CNC(=O)[C@H](NC(=O)c1cn(-c2ccc(Br)cc2)cn1)C(C)C ZINC000179069641 532221194 /nfs/dbraw/zinc/22/11/94/532221194.db2.gz ASWFZLNXYYLANB-CQSZACIVSA-N 0 0 379.258 2.135 10 0 GEAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl)C(C)C ZINC000179080083 532221824 /nfs/dbraw/zinc/22/18/24/532221824.db2.gz LDZLHZWJBPPHJT-LLVKDONJSA-N 0 0 379.766 2.184 10 0 GEAERN O=C(N[C@@H]1CCc2ncnn2C1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000133990167 532248199 /nfs/dbraw/zinc/24/81/99/532248199.db2.gz XYJDZKIQLSURFM-GFCCVEGCSA-N 0 0 384.267 2.104 10 0 GEAERN Cc1cnn([C@H]2CCCN(C(=O)c3cnn4cc(Br)cnc34)C2)c1 ZINC000179551899 532235957 /nfs/dbraw/zinc/23/59/57/532235957.db2.gz AADQZNREPVVQTM-ZDUSSCGKSA-N 0 0 389.257 2.474 10 0 GEAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1cc(I)c[nH]1)CC2 ZINC000133538551 532237605 /nfs/dbraw/zinc/23/76/05/532237605.db2.gz BODMLOKOUPKLHR-JTQLQIEISA-N 0 0 399.236 2.079 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)Cc1cc(F)ccc1Br)CC2 ZINC000133578516 532239049 /nfs/dbraw/zinc/23/90/49/532239049.db2.gz DHSVHDRCIMLDQW-LBPRGKRZSA-N 0 0 381.249 2.416 10 0 GEAERN Cn1c(CS(=O)(=O)CC(=O)Nc2cc(Cl)ccc2F)nnc1C1CC1 ZINC000180069329 532256267 /nfs/dbraw/zinc/25/62/67/532256267.db2.gz NEVVIHRVPRRPAA-UHFFFAOYSA-N 0 0 386.836 2.039 10 0 GEAERN CCn1c(C)nnc1CS(=O)(=O)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000180095805 532257282 /nfs/dbraw/zinc/25/72/82/532257282.db2.gz QNEHHJJDAJMRFE-UHFFFAOYSA-N 0 0 391.280 2.467 10 0 GEAERN O=C(c1cc(Br)c[nH]1)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000135509906 532275002 /nfs/dbraw/zinc/27/50/02/532275002.db2.gz BDNVDMIMBFKVHO-UHFFFAOYSA-N 0 0 394.273 2.386 10 0 GEAERN O=S(=O)(c1ccc(Br)cc1)N1CCC[C@H](Cn2cncn2)C1 ZINC000180979768 532287417 /nfs/dbraw/zinc/28/74/17/532287417.db2.gz QPDYINWHTVKJQB-GFCCVEGCSA-N 0 0 385.287 2.142 10 0 GEAERN CCn1cc(CN2CCCN(C(=O)c3cccnc3Br)CC2)cn1 ZINC000135391226 532272712 /nfs/dbraw/zinc/27/27/12/532272712.db2.gz YJTNWVKHQQPREJ-UHFFFAOYSA-N 0 0 392.301 2.409 10 0 GEAERN O=C(Nc1cccnc1Br)C(=O)N[C@H]1CCOc2ccccc21 ZINC000181340105 532295553 /nfs/dbraw/zinc/29/55/53/532295553.db2.gz YHFSHNKJOYEVOH-NSHDSACASA-N 0 0 376.210 2.423 10 0 GEAERN CCc1nnc([C@H]2CN(C(=O)Nc3ccc(Br)nc3C)CCO2)[nH]1 ZINC000181329105 532295927 /nfs/dbraw/zinc/29/59/27/532295927.db2.gz QSSFICANIMGJMJ-LLVKDONJSA-N 0 0 395.261 2.438 10 0 GEAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1sccc1S(=O)(=O)C(F)F ZINC000151107638 532307133 /nfs/dbraw/zinc/30/71/33/532307133.db2.gz KZBBEFHNXYLJGV-MRVPVSSYSA-N 0 0 390.437 2.163 10 0 GEAERN Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N1CCOC[C@H]1C(N)=O ZINC000183361529 532324236 /nfs/dbraw/zinc/32/42/36/532324236.db2.gz UDJSJFKIVNRUII-LBPRGKRZSA-N 0 0 384.219 2.283 10 0 GEAERN CC(C)c1nnc(NC(=O)CN[C@H](C)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000182187067 532310221 /nfs/dbraw/zinc/31/02/21/532310221.db2.gz HHDVKFHYDBMIRX-LLVKDONJSA-N 0 0 382.511 2.354 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1cnc(Br)c(C)c1)CC2 ZINC000182452172 532313779 /nfs/dbraw/zinc/31/37/79/532313779.db2.gz ZENYFMDEFMDQKC-JTQLQIEISA-N 0 0 379.262 2.443 10 0 GEAERN CCn1cnnc1C1CCN(C(=O)c2ccc(OC)c(Br)n2)CC1 ZINC000183039420 532320980 /nfs/dbraw/zinc/32/09/80/532320980.db2.gz NUFSJYCBRKUBJD-UHFFFAOYSA-N 0 0 394.273 2.484 10 0 GEAERN CC(C)n1nnnc1CS(=O)(=O)Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC000185191749 532337272 /nfs/dbraw/zinc/33/72/72/532337272.db2.gz SGVLJLIGLFLDBB-UHFFFAOYSA-N 0 0 380.861 2.208 10 0 GEAERN COCC(=O)NC1CN(C(=O)c2sc(-c3cccc(Cl)c3)nc2C)C1 ZINC000185238844 532337314 /nfs/dbraw/zinc/33/73/14/532337314.db2.gz ULPYXWXKARMNGE-UHFFFAOYSA-N 0 0 379.869 2.359 10 0 GEAERN C[C@@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1cccs1 ZINC000185241438 532337387 /nfs/dbraw/zinc/33/73/87/532337387.db2.gz VCUKMSFEIZQSTP-GFCCVEGCSA-N 0 0 378.475 2.415 10 0 GEAERN COCC(=O)NC1CN(C(=O)c2cc3cc(C)cc(Br)c3o2)C1 ZINC000185306137 532337496 /nfs/dbraw/zinc/33/74/96/532337496.db2.gz MHXZRJWIHJAHQP-UHFFFAOYSA-N 0 0 381.226 2.091 10 0 GEAERN COC(=O)[C@@H]1CCCCN1CC(=O)N(C)Cc1ccccc1Br ZINC000185362980 532337746 /nfs/dbraw/zinc/33/77/46/532337746.db2.gz XVVVBJDCBMESFJ-HNNXBMFYSA-N 0 0 383.286 2.435 10 0 GEAERN CSc1ccc(S(=O)(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1Cl ZINC000185834926 532338886 /nfs/dbraw/zinc/33/88/86/532338886.db2.gz RJGDCODQHQWSNB-WFASDCNBSA-N 0 0 390.958 2.403 10 0 GEAERN CC[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(SC)c(Cl)c2)CC1 ZINC000185894906 532339093 /nfs/dbraw/zinc/33/90/93/532339093.db2.gz HIHKOVATDZHJLT-GFCCVEGCSA-N 0 0 378.947 2.139 10 0 GEAERN CN1CCO[C@@H](CNC(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)C1 ZINC000186877618 532342303 /nfs/dbraw/zinc/34/23/03/532342303.db2.gz LNEZPPBYPIUNEB-VIFPVBQESA-N 0 0 385.852 2.450 10 0 GEAERN CNC(=O)[C@H](NCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)C(C)C ZINC000183678840 532328005 /nfs/dbraw/zinc/32/80/05/532328005.db2.gz JRBPHKWZEYYENA-OAHLLOKOSA-N 0 0 381.523 2.074 10 0 GEAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)Cc2ccc(F)c(Cl)c2)n1 ZINC000183743871 532328540 /nfs/dbraw/zinc/32/85/40/532328540.db2.gz UQXUUWUWIVILIU-ZDUSSCGKSA-N 0 0 375.809 2.074 10 0 GEAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000183747288 532328969 /nfs/dbraw/zinc/32/89/69/532328969.db2.gz HUENRYNPNYOFPV-NSHDSACASA-N 0 0 378.237 2.447 10 0 GEAERN CC(C)c1nc([C@H]2CCCN2S(=O)(=O)c2cnn(CC(F)F)c2)no1 ZINC000187225127 532343493 /nfs/dbraw/zinc/34/34/93/532343493.db2.gz WGMGUNPIURIZFZ-LLVKDONJSA-N 0 0 375.401 2.180 10 0 GEAERN C[C@@H]1C(=O)NCCCN1C(=O)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000188075813 532346446 /nfs/dbraw/zinc/34/64/46/532346446.db2.gz IWKGZKMGHRUHAF-SECBINFHSA-N 0 0 378.782 2.293 10 0 GEAERN COC(=O)[C@@]1(C)CCCN1S(=O)(=O)c1ccc(Br)cc1C ZINC000188196924 532347333 /nfs/dbraw/zinc/34/73/33/532347333.db2.gz SLUHMILLFBQQKM-CQSZACIVSA-N 0 0 376.272 2.474 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)Cc3cccc(Br)c3C)CCO2)[nH]1 ZINC000188398769 532348098 /nfs/dbraw/zinc/34/80/98/532348098.db2.gz 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/nfs/dbraw/zinc/35/18/11/532351811.db2.gz AVGXVPUPJBOCGA-UHFFFAOYSA-N 0 0 398.330 2.470 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)c3c[nH]nc3-c3ccc(Cl)s3)CCO2)[nH]1 ZINC000189930526 532354139 /nfs/dbraw/zinc/35/41/39/532354139.db2.gz RUAOGFCLLFKUMM-JTQLQIEISA-N 0 0 378.845 2.432 10 0 GEAERN CC(=O)NC1CN(C(=O)NCc2cc(Br)ccc2OC(F)F)C1 ZINC000189966236 532354269 /nfs/dbraw/zinc/35/42/69/532354269.db2.gz MLLTVHDGKIFXDI-UHFFFAOYSA-N 0 0 392.200 2.080 10 0 GEAERN COCCN1CCN(C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C[C@H]1C ZINC000190489556 532356413 /nfs/dbraw/zinc/35/64/13/532356413.db2.gz FCLYJSHUTKFSHB-SNVBAGLBSA-N 0 0 392.258 2.250 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)NCc3cccc(C)c3Br)CCO2)[nH]1 ZINC000190516042 532356569 /nfs/dbraw/zinc/35/65/69/532356569.db2.gz IHOUCQBXFBZYNP-ZDUSSCGKSA-N 0 0 394.273 2.467 10 0 GEAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000190666803 532357340 /nfs/dbraw/zinc/35/73/40/532357340.db2.gz FERCAVJQVAKPMO-MRVPVSSYSA-N 0 0 377.750 2.034 10 0 GEAERN CC(C)(C)OC[C@@H](O)C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191301525 532360306 /nfs/dbraw/zinc/36/03/06/532360306.db2.gz FFDFBGHAAXBPJC-NSHDSACASA-N 0 0 382.452 2.245 10 0 GEAERN COC(=O)[C@@H]1CCCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192072549 532383743 /nfs/dbraw/zinc/38/37/43/532383743.db2.gz LRORWRMBCHVRKA-IUODEOHRSA-N 0 0 381.270 2.439 10 0 GEAERN O=C(c1cc(Br)c(F)cc1F)N1CC[C@@H](N2CCOCC2)C1 ZINC000192140662 532388930 /nfs/dbraw/zinc/38/89/30/532388930.db2.gz CRQGSPWOUDLSNF-SNVBAGLBSA-N 0 0 375.213 2.274 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CCN(C(=O)c2ccc(Br)cc2OC)CC1 ZINC000192142894 532388987 /nfs/dbraw/zinc/38/89/87/532388987.db2.gz PPZGRAXXPZJIHP-UHFFFAOYSA-N 0 0 399.285 2.469 10 0 GEAERN CN(CC(=O)OC(C)(C)C)C1CCN(S(=O)(=O)CCC(C)(C)C)CC1 ZINC000192150004 532389320 /nfs/dbraw/zinc/38/93/20/532389320.db2.gz RVUKBVFJTSWVSV-UHFFFAOYSA-N 0 0 376.563 2.490 10 0 GEAERN C[C@@H](CNS(=O)(=O)c1ccc(Cl)c(Br)c1)N1CCOCC1 ZINC000192187185 532394064 /nfs/dbraw/zinc/39/40/64/532394064.db2.gz IWNOUWZIWHMTID-JTQLQIEISA-N 0 0 397.722 2.102 10 0 GEAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)c2cnc(Cl)cn2)CC1 ZINC000192737337 532406808 /nfs/dbraw/zinc/40/68/08/532406808.db2.gz RHFIUQSPLGZALL-UHFFFAOYSA-N 0 0 383.283 2.037 10 0 GEAERN CCCCOC[C@@H](O)CN(C)S(=O)(=O)c1ccc(Br)s1 ZINC000193385808 532423654 /nfs/dbraw/zinc/42/36/54/532423654.db2.gz OLRCYIUOQKALAH-JTQLQIEISA-N 0 0 386.333 2.309 10 0 GEAERN Cc1noc([C@@H]2COCCN2C(=O)[C@H]2Cc3cc(Br)ccc3O2)n1 ZINC000193641867 532427510 /nfs/dbraw/zinc/42/75/10/532427510.db2.gz UHRMSYIGDGICKI-GXTWGEPZSA-N 0 0 394.225 2.044 10 0 GEAERN CCS(=O)(=O)NCCNC(=O)N[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000193901357 532435666 /nfs/dbraw/zinc/43/56/66/532435666.db2.gz ONEGJEFQTVJWNF-QMMMGPOBSA-N 0 0 386.276 2.432 10 0 GEAERN CC[C@H](NC(=O)C[S@@](=O)Cc1nnnn1C(C)C)c1ccc(Cl)cc1 ZINC000194270326 532446136 /nfs/dbraw/zinc/44/61/36/532446136.db2.gz JFCGOWUKZAMTGQ-SXBQZSJRSA-N 0 0 383.905 2.424 10 0 GEAERN Cc1ccc(NC(=O)[C@@H](C)N2CC[C@@H](N3CCOCC3)C2)c(Br)c1 ZINC000246265461 532537520 /nfs/dbraw/zinc/53/75/20/532537520.db2.gz ZCFZUSVQWCQPFA-HUUCEWRRSA-N 0 0 396.329 2.491 10 0 GEAERN CC[S@](=O)[C@@H]1CCC[C@H](NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)C1 ZINC000246552342 532541538 /nfs/dbraw/zinc/54/15/38/532541538.db2.gz GSMKADCHVGREBZ-QTXULSJDSA-N 0 0 389.583 2.381 10 0 GEAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)CCN1C[C@H](C)O ZINC000246888818 532544618 /nfs/dbraw/zinc/54/46/18/532544618.db2.gz DZGZMOQLWFQPIQ-NWDGAFQWSA-N 0 0 388.295 2.236 10 0 GEAERN CCOCCN1CCN([C@@H](C(N)=O)c2cccc(Br)c2)C[C@@H]1C ZINC000245733982 532523016 /nfs/dbraw/zinc/52/30/16/532523016.db2.gz CRYZSMYCPPZZKV-XJKSGUPXSA-N 0 0 384.318 2.018 10 0 GEAERN C[C@H]1CN(Cc2cnc3ccc(Br)cn23)C[C@H]1N1CCOCC1 ZINC000245724913 532524013 /nfs/dbraw/zinc/52/40/13/532524013.db2.gz IPSAKISAIWPCCD-XJKSGUPXSA-N 0 0 379.302 2.249 10 0 GEAERN COC(=O)[C@@H](c1cccc(Br)c1)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000245896415 532526174 /nfs/dbraw/zinc/52/61/74/532526174.db2.gz KLNOFHBLXYFFSV-UONOGXRCSA-N 0 0 395.257 2.163 10 0 GEAERN C[C@H](O)CN1CCN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)C[C@@H]1C ZINC000246087865 532531069 /nfs/dbraw/zinc/53/10/69/532531069.db2.gz JCDXVTODYXUHLO-RYUDHWBXSA-N 0 0 381.325 2.210 10 0 GEAERN COCCN1CCN(S(=O)(=O)c2cccc(C)c2Br)C[C@@H]1C ZINC000246168608 532531934 /nfs/dbraw/zinc/53/19/34/532531934.db2.gz DOZWABBBIGVBTJ-ZDUSSCGKSA-N 0 0 391.331 2.099 10 0 GEAERN C[C@H](O)CN1CCN(C(=O)C2(c3ccccc3Br)CC2)C[C@@H]1C ZINC000249079378 532560884 /nfs/dbraw/zinc/56/08/84/532560884.db2.gz MJCPEYNJTVOSQL-KBPBESRZSA-N 0 0 381.314 2.394 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CCOc2cccc(Br)c2)C1 ZINC000262849835 532603616 /nfs/dbraw/zinc/60/36/16/532603616.db2.gz WPJDQOZSEGRVOO-UHFFFAOYSA-N 0 0 399.285 2.272 10 0 GEAERN C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262950929 532608431 /nfs/dbraw/zinc/60/84/31/532608431.db2.gz JREWLLLJOXYGBI-MVWJERBFSA-N 0 0 376.400 2.216 10 0 GEAERN C[C@H](Sc1ccccc1Cl)C(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262973452 532608939 /nfs/dbraw/zinc/60/89/39/532608939.db2.gz SGIRSBNRGLTEDJ-STQMWFEESA-N 0 0 386.901 2.064 10 0 GEAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NS(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000263451018 532626800 /nfs/dbraw/zinc/62/68/00/532626800.db2.gz AMSQMMWCLRGZLF-UHFFFAOYSA-N 0 0 386.901 2.087 10 0 GEAERN COC(=O)c1sc(NCCNc2nnnn2-c2ccccc2)nc1Cl ZINC000301802753 532760014 /nfs/dbraw/zinc/76/00/14/532760014.db2.gz UCBYXDRDEYENCF-UHFFFAOYSA-N 0 0 379.833 2.083 10 0 GEAERN CCCCCS(=O)(=O)N1CCN(c2cncc(Br)c2)CC1 ZINC000301389608 532749250 /nfs/dbraw/zinc/74/92/50/532749250.db2.gz FWMRUBHQMUEJBS-UHFFFAOYSA-N 0 0 376.320 2.486 10 0 GEAERN CCS[C@@H]1CC[C@]1(O)CNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 ZINC000301491364 532752416 /nfs/dbraw/zinc/75/24/16/532752416.db2.gz NJLBWHCILIIHIU-OLZOCXBDSA-N 0 0 384.445 2.411 10 0 GEAERN CC1(C)c2ccccc2[C@@H](c2ccc(NC(=O)CN3CCOCC3)cc2)NC1=O ZINC000031983029 206304151 /nfs/dbraw/zinc/30/41/51/206304151.db2.gz MLRWWLPZXUSTOO-OAQYLSRUSA-N 0 0 393.487 2.454 10 0 GEAERN C/C=C1/C[C@@H](C)[C@@](C)(OC(C)=O)C(=O)OCc2ccn3c2[C@@H](CC3=O)OC1=O ZINC000034954171 206305872 /nfs/dbraw/zinc/30/58/72/206305872.db2.gz NTGIQQBAUYBEBF-JSWRDZQHSA-N 0 0 389.404 2.467 10 0 GEAERN COc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000001378833 206377389 /nfs/dbraw/zinc/37/73/89/206377389.db2.gz DEFCGJUFONYJNY-SFHVURJKSA-N 0 0 392.452 2.304 10 0 GEAERN CCNC(=O)C1CCN(c2cccc3c2C(=O)N(Cc2ccncc2)C3=O)CC1 ZINC000011964149 206846293 /nfs/dbraw/zinc/84/62/93/206846293.db2.gz ROCGFUWEBTYFHY-UHFFFAOYSA-N 0 0 392.459 2.230 10 0 GEAERN COc1ccc(C[C@@]2(CCC(=O)NCCCO)CCC(=O)N2)c2ccccc12 ZINC000012055519 206852318 /nfs/dbraw/zinc/85/23/18/206852318.db2.gz NLONTAYCHLNLKE-JOCHJYFZSA-N 0 0 384.476 2.319 10 0 GEAERN CCCN1CC(=O)N(CCc2ccccc2)C[C@H](OCC(=O)N(CC)CC)C1 ZINC000014532996 207021757 /nfs/dbraw/zinc/02/17/57/207021757.db2.gz JSACFMRARYNPGQ-HXUWFJFHSA-N 0 0 389.540 2.037 10 0 GEAERN Cc1cccc(C(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](CC4CCCCC4)C(=O)N3C2)c1 ZINC000014542478 207023455 /nfs/dbraw/zinc/02/34/55/207023455.db2.gz QSGYOWFCZFMSCT-FHWLQOOXSA-N 0 0 383.492 2.163 10 0 GEAERN CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCC(F)(F)F)C2 ZINC000014732567 207026291 /nfs/dbraw/zinc/02/62/91/207026291.db2.gz GSRAMHCFHLYZID-ZDUSSCGKSA-N 0 0 388.434 2.021 10 0 GEAERN CN(Cc1ccon1)[C@@H]1CCc2c(c(C(=O)NCc3ccc(F)cc3)nn2C)C1 ZINC000014741207 207027199 /nfs/dbraw/zinc/02/71/99/207027199.db2.gz PQYFDWSAEASLLL-QGZVFWFLSA-N 0 0 397.454 2.467 10 0 GEAERN CN1C(=O)Cc2cc(S(=O)(=O)CCC(=O)Nc3ccc(F)cc3F)ccc21 ZINC000015731643 207058316 /nfs/dbraw/zinc/05/83/16/207058316.db2.gz MQAUVAKAOYIHLR-UHFFFAOYSA-N 0 0 394.399 2.286 10 0 GEAERN O=C(Cn1cc(NC(=O)c2ccco2)cn1)N1CCCC[C@@H]1CCn1cccn1 ZINC000020256534 207186014 /nfs/dbraw/zinc/18/60/14/207186014.db2.gz YIKCXAFTDMHSDC-QGZVFWFLSA-N 0 0 396.451 2.396 10 0 GEAERN Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCCC[C@@H]2c2ccccn2)o1 ZINC000020866392 207216189 /nfs/dbraw/zinc/21/61/89/207216189.db2.gz VNDXXRIMZLZGKP-WOJBJXKFSA-N 0 0 396.491 2.427 10 0 GEAERN Cc1cc2n(n1)CCC(=O)N2Cc1ccc(C(=O)NCc2ccccn2)cc1 ZINC000020938185 207221124 /nfs/dbraw/zinc/22/11/24/207221124.db2.gz FOYKQIRNCRGXSN-UHFFFAOYSA-N 0 0 375.432 2.453 10 0 GEAERN CCOC(=O)CN(CC)S(=O)(=O)c1c(F)cc(F)cc1Br ZINC000038017549 207254061 /nfs/dbraw/zinc/25/40/61/207254061.db2.gz MSQACIQWYQKCCY-UHFFFAOYSA-N 0 0 386.214 2.301 10 0 GEAERN CCc1c(C)nn(C)c1NC(=O)Cn1cc(-c2cccc(F)c2C(N)=O)cn1 ZINC000023232157 207272601 /nfs/dbraw/zinc/27/26/01/207272601.db2.gz GSSDQMBCLHUQEU-UHFFFAOYSA-N 0 0 384.415 2.031 10 0 GEAERN O=C(c1ccn(COc2ccccc2)n1)N1CCN(C(=O)c2ccco2)CC1 ZINC000027971720 207333142 /nfs/dbraw/zinc/33/31/42/207333142.db2.gz SEAOXUZAFAYZLM-UHFFFAOYSA-N 0 0 380.404 2.111 10 0 GEAERN CN1CC(=O)N=C1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000012974059 207334172 /nfs/dbraw/zinc/33/41/72/207334172.db2.gz WJFJXYMOXNZOAM-UHFFFAOYSA-N 0 0 390.396 2.318 10 0 GEAERN Cc1cccc(NS(=O)(=O)c2nnc(C)c(=O)n2Cc2ccccc2)c1C ZINC000032611934 207399185 /nfs/dbraw/zinc/39/91/85/207399185.db2.gz VFPURXZNFNOTGQ-UHFFFAOYSA-N 0 0 384.461 2.413 10 0 GEAERN Cc1nc2c(s1)n(CC(=O)NC[C@@H]1CCCO1)c(=O)nc2-c1cccs1 ZINC000032616367 207399497 /nfs/dbraw/zinc/39/94/97/207399497.db2.gz PMHAMGLVWCXNJS-NSHDSACASA-N 0 0 390.490 2.185 10 0 GEAERN CCc1ccccc1S(=O)(=O)N1CCc2c(c(-c3nc(C)no3)nn2C)C1 ZINC000064566488 207803611 /nfs/dbraw/zinc/80/36/11/207803611.db2.gz LQGLOBJSAKQSEI-UHFFFAOYSA-N 0 0 387.465 2.088 10 0 GEAERN CCCNC(=O)N1CCC(c2ccn3ncc(C(=O)N4CCOCC4)c3c2)CC1 ZINC000064612051 207806102 /nfs/dbraw/zinc/80/61/02/207806102.db2.gz UKGDMKBLSXIZDD-UHFFFAOYSA-N 0 0 399.495 2.106 10 0 GEAERN CCOc1ccccc1NC(=O)CN1CCN(Cc2ccccc2C)C(=O)C1=O ZINC000064888745 207817129 /nfs/dbraw/zinc/81/71/29/207817129.db2.gz CQWHDHHOKVZUSH-UHFFFAOYSA-N 0 0 395.459 2.203 10 0 GEAERN O=c1[nH]c2ccccc2n1C1CCN(S(=O)(=O)NCc2ccccc2)CC1 ZINC000071760293 207954145 /nfs/dbraw/zinc/95/41/45/207954145.db2.gz LJACIXHQDHYVHY-UHFFFAOYSA-N 0 0 386.477 2.001 10 0 GEAERN COCCc1noc(CN2C[C@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)n1 ZINC000091616941 208124898 /nfs/dbraw/zinc/12/48/98/208124898.db2.gz CWOGDDWFKAROGJ-FQEVSTJZSA-N 0 0 387.436 2.359 10 0 GEAERN O=C(CCc1cc2n(n1)CCN(Cc1ccc(-n3ccnc3)cc1)C2)NC1CC1 ZINC000091694416 208133484 /nfs/dbraw/zinc/13/34/84/208133484.db2.gz XFVLDBSDASTDBJ-UHFFFAOYSA-N 0 0 390.491 2.296 10 0 GEAERN O=C(c1cnc(COc2ccc(F)cc2)[nH]c1=O)N1CCOC2(CCCC2)C1 ZINC000091846305 208138858 /nfs/dbraw/zinc/13/88/58/208138858.db2.gz KLWNTIOXACRMPB-UHFFFAOYSA-N 0 0 387.411 2.273 10 0 GEAERN C[N@H+](CC1(N2CCOCC2)CCCCC1)[C@@H](C(=O)[O-])c1cccc(CO)c1 ZINC000095360321 208161084 /nfs/dbraw/zinc/16/10/84/208161084.db2.gz ZNGIPUHJUTUNGG-LJQANCHMSA-N 0 0 376.497 2.272 10 0 GEAERN Cc1nnsc1C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 ZINC000091931339 208140259 /nfs/dbraw/zinc/14/02/59/208140259.db2.gz GRYFWFXGEHGMAK-UHFFFAOYSA-N 0 0 385.493 2.287 10 0 GEAERN O=C([O-])[C@H](c1ccc(F)c(CO)c1)[NH+]1CCC(CCN2CCCC2=O)CC1 ZINC000095501561 208200361 /nfs/dbraw/zinc/20/03/61/208200361.db2.gz AISNZLOVPNSTEP-IBGZPJMESA-N 0 0 378.444 2.168 10 0 GEAERN O=S(=O)([O-])[C@H]1C/[N+](=c2/scc(-c3c(F)cccc3F)s2)CCS1 ZINC000095932636 208240153 /nfs/dbraw/zinc/24/01/53/208240153.db2.gz SBLFMTYRKIYNLC-CQINNJSPSA-O 0 0 396.507 2.488 10 0 GEAERN COC(=O)c1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)CC23CCCCC3)cc1 ZINC000096309590 208303922 /nfs/dbraw/zinc/30/39/22/208303922.db2.gz GBNKPJAWVFDVRQ-INIZCTEOSA-N 0 0 394.493 2.254 10 0 GEAERN COc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1O ZINC000101697178 208396186 /nfs/dbraw/zinc/39/61/86/208396186.db2.gz OZCUAZBNWRLQIS-DHDCSXOGSA-N 0 0 381.388 2.241 10 0 GEAERN CCCn1c2ccccc2nc1NC(=O)COc1ccc(-n2cnnn2)cc1 ZINC000028235222 208943158 /nfs/dbraw/zinc/94/31/58/208943158.db2.gz XGXQUJPMKKKWGC-UHFFFAOYSA-N 0 0 377.408 2.440 10 0 GEAERN CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc3c(c2)OCO3)C2(C1)CCCCC2 ZINC000096309569 209013624 /nfs/dbraw/zinc/01/36/24/209013624.db2.gz MHWWQSQITCRYRH-AWEZNQCLSA-N 0 0 380.466 2.196 10 0 GEAERN Cc1cccc(N2CCN(CC(=O)Nc3ccc(-n4cnnn4)cc3)CC2)c1C ZINC000057711366 136153771 /nfs/dbraw/zinc/15/37/71/136153771.db2.gz KYWXJTLILPEZGW-UHFFFAOYSA-N 0 0 391.479 2.040 10 0 aggregator GEAERN CCOc1ccc(NC(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)cc1 ZINC000224148433 136206499 /nfs/dbraw/zinc/20/64/99/136206499.db2.gz XVBOJHYHVKFJDZ-UHFFFAOYSA-N 0 0 386.456 2.422 10 0 GEAERN CN(C)c1nc(N2CCOCC2)ncc1NC(=O)Cc1ccc(Cl)cc1 ZINC000224360292 136207003 /nfs/dbraw/zinc/20/70/03/136207003.db2.gz UYCZQZWGFWGYAW-UHFFFAOYSA-N 0 0 375.860 2.214 10 0 GEAERN CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)[C@H]1O[C@@H](n2ccc(N)nc2=O)CS1 ZINC000085473406 222323972 /nfs/dbraw/zinc/32/39/72/222323972.db2.gz QMYKWNYBSBURDT-FLXYMXBTSA-N 0 0 381.498 2.418 10 0 GEAERN COCc1cc(OCC(=O)[O-])nc(NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000073709100 522937326 /nfs/dbraw/zinc/93/73/26/522937326.db2.gz XROJVMOXUAYPEX-UHFFFAOYSA-N 0 0 386.452 2.163 10 0 GEAERN COc1cccc(CNC(=O)[C@@]2(C)CCCN(C(=O)NC[C@@H]3CCCO3)C2)c1 ZINC000035526829 525996411 /nfs/dbraw/zinc/99/64/11/525996411.db2.gz BYTHXFVTQVQUTL-RXVVDRJESA-N 0 0 389.496 2.302 10 0 GEAERN Cc1cccc([C@@H]2CCc3nc(C(=O)NCCCN4CCOCC4)cn3C2)c1 ZINC000034898656 570343241 /nfs/dbraw/zinc/34/32/41/570343241.db2.gz SWOZXVZHWBTCJK-LJQANCHMSA-N 0 0 382.508 2.374 10 0 GEAERN Cc1cccc(N(C)C(=O)CCS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1 ZINC000007003178 570420852 /nfs/dbraw/zinc/42/08/52/570420852.db2.gz OSSVTOJDQORGTB-UHFFFAOYSA-N 0 0 388.445 2.267 10 0 GEAERN O=C(NCC[NH+]1CCCC1)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000011878635 570442969 /nfs/dbraw/zinc/44/29/69/570442969.db2.gz CKJOLIDWIZXNBX-UHFFFAOYSA-N 0 0 385.508 2.292 10 0 GEAERN COCCCN(Cc1nc2sc(C)c(C)c2c(=O)[nH]1)C[C@@H](O)COC(C)C ZINC000036204693 570569151 /nfs/dbraw/zinc/56/91/51/570569151.db2.gz UKEZFXDYDUNRRW-OAHLLOKOSA-N 0 0 397.541 2.226 10 0 GEAERN COc1ccc(CCNC(=O)[C@H](C)N2Cc3ccccc3C2=O)c(OC)c1OC ZINC000006876151 570666128 /nfs/dbraw/zinc/66/61/28/570666128.db2.gz FXFAUDSRNCNVSY-AWEZNQCLSA-N 0 0 398.459 2.416 10 0 GEAERN Cc1nn2c(ncc(C(=O)NCCN3CCOCC3)c2C)c1-c1ccccc1 ZINC000033039933 570678688 /nfs/dbraw/zinc/67/86/88/570678688.db2.gz IFJSAQMSWHLFSC-UHFFFAOYSA-N 0 0 379.464 2.075 10 0 GEAERN CC(=O)N1CCC(n2c(C)nc(C(=O)NCc3ccc4c(c3)OCO4)c2C)CC1 ZINC000065257358 570755875 /nfs/dbraw/zinc/75/58/75/570755875.db2.gz DOORGBYWNFJHTM-UHFFFAOYSA-N 0 0 398.463 2.342 10 0 GEAERN O[C@@H](C[NH2+]C[C@H](O)[C@@H]1CCc2cc(F)ccc2O1)[C@@H]1CCc2ccccc2O1 ZINC000065739643 570774475 /nfs/dbraw/zinc/77/44/75/570774475.db2.gz JMAVJQLYDMPPMQ-GPHNJDIKSA-N 0 0 387.451 2.225 10 0 in-vitro GEAERN COCCN(C)c1cnn([C@H]2CCCN(C(=O)c3ccc(C)s3)C2)c(=O)c1 ZINC000583620184 570801072 /nfs/dbraw/zinc/80/10/72/570801072.db2.gz RAACNDHGAWEDPZ-HNNXBMFYSA-N 0 0 390.509 2.173 10 0 GEAERN O=C(N[C@H]1CC=CCC1)c1cnn2c1C[C@@H](CNC(=O)c1cccnc1)CC2 ZINC000583622971 570801395 /nfs/dbraw/zinc/80/13/95/570801395.db2.gz OBXQTIRCIPEXSS-RDJZCZTQSA-N 0 0 379.464 2.109 10 0 GEAERN O=C(N[C@@H]1CC=CCC1)c1cnn2c1C[C@@H](CNC(=O)c1cccnc1)CC2 ZINC000583622969 570802848 /nfs/dbraw/zinc/80/28/48/570802848.db2.gz OBXQTIRCIPEXSS-DOTOQJQBSA-N 0 0 379.464 2.109 10 0 GEAERN O=C(C[C@@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O)N1CCCC1 ZINC000012164289 570960538 /nfs/dbraw/zinc/96/05/38/570960538.db2.gz QZJNIZNHRXXMIT-QFIPXVFZSA-N 0 0 377.444 2.291 10 0 GEAERN C[C@H](NS(=O)(=O)c1ccc(F)cc1F)c1ccc(S(C)(=O)=O)cc1 ZINC000015358931 642380613 /nfs/dbraw/zinc/38/06/13/642380613.db2.gz KSJKRLCCGAWALO-JTQLQIEISA-N 0 0 375.418 2.408 10 0 GEAERN CCS(=O)(=O)N1CCC(NC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000029733379 642467932 /nfs/dbraw/zinc/46/79/32/642467932.db2.gz IKPNGCRMFCDHGW-YPMHNXCESA-N 0 0 385.452 2.221 10 0 GEAERN C[C@H](c1cccs1)N(C)C(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000033235359 642503930 /nfs/dbraw/zinc/50/39/30/642503930.db2.gz WJZDOJAFDROWOR-NWDGAFQWSA-N 0 0 377.491 2.395 10 0 GEAERN NS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000045614258 642592448 /nfs/dbraw/zinc/59/24/48/642592448.db2.gz VIEFJEGCHVDCGF-DTWKUNHWSA-N 0 0 385.433 2.316 10 0 GEAERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000066902151 642946520 /nfs/dbraw/zinc/94/65/20/642946520.db2.gz PRNFLSMUFYZPDH-QSYFUGGGSA-N 0 0 387.299 2.302 10 0 GEAERN Cc1ccc(=O)n(CC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1 ZINC000067773446 642976209 /nfs/dbraw/zinc/97/62/09/642976209.db2.gz PBRCMYGFECJFBI-HNNXBMFYSA-N 0 0 382.247 2.459 10 0 GEAERN C[C@H](NC(=O)NCCCNC(=O)c1cccc(Br)c1)[C@H]1CCCO1 ZINC000101606656 643112393 /nfs/dbraw/zinc/11/23/93/643112393.db2.gz BRYPLSUXPNAQSZ-SWLSCSKDSA-N 0 0 398.301 2.436 10 0 GEAERN COCc1c(Br)cccc1NC(=O)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000102083474 643122504 /nfs/dbraw/zinc/12/25/04/643122504.db2.gz YZCLGJSFQIPFMI-QMTHXVAHSA-N 0 0 385.258 2.218 10 0 GEAERN CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2Br)C1 ZINC000102102572 643122889 /nfs/dbraw/zinc/12/28/89/643122889.db2.gz BEIQFOHIIYLVKA-GFCCVEGCSA-N 0 0 396.285 2.295 10 0 GEAERN C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)S(=O)(=O)/C=C/c1ccccc1 ZINC000102934111 643148158 /nfs/dbraw/zinc/14/81/58/643148158.db2.gz SJVYMRICIGIDPB-GCZGRYASSA-N 0 0 380.491 2.328 10 0 GEAERN C[C@@H](NC(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1)c1ccc(Cl)s1 ZINC000103509288 643169431 /nfs/dbraw/zinc/16/94/31/643169431.db2.gz GSHPOKQIBUQEHS-VXGBXAGGSA-N 0 0 384.933 2.457 10 0 GEAERN CN1CCO[C@H](CNC(=O)NCCCOc2ccc(Cl)cc2Cl)C1 ZINC000104792990 643193985 /nfs/dbraw/zinc/19/39/85/643193985.db2.gz ODPMWEMLPVIYSI-CYBMUJFWSA-N 0 0 376.284 2.392 10 0 GEAERN Cc1nc(C[C@@H]2CCCN(S(=O)(=O)c3cc(F)c(F)cc3F)C2)no1 ZINC000105620842 643212587 /nfs/dbraw/zinc/21/25/87/643212587.db2.gz WZPNYCRQZMULMF-JTQLQIEISA-N 0 0 375.372 2.439 10 0 GEAERN O=C(CN1CCC(Cn2cccn2)CC1)Nc1ccc(Br)cn1 ZINC000106183989 643224893 /nfs/dbraw/zinc/22/48/93/643224893.db2.gz NJBYYDHYFDERSU-UHFFFAOYSA-N 0 0 378.274 2.391 10 0 GEAERN O[C@H](COc1cc(Cl)ccc1Cl)CN1CCO[C@H](Cn2cccn2)C1 ZINC000106189333 643224960 /nfs/dbraw/zinc/22/49/60/643224960.db2.gz OGPZYONDJMVETA-GJZGRUSLSA-N 0 0 386.279 2.331 10 0 GEAERN COC(=O)c1sccc1S(=O)(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000106368713 643229545 /nfs/dbraw/zinc/22/95/45/643229545.db2.gz SYLSNBBZQJWGNG-GFCCVEGCSA-N 0 0 383.495 2.411 10 0 GEAERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000108604254 643278524 /nfs/dbraw/zinc/27/85/24/643278524.db2.gz LAIGPOHHOHKSLN-SNVBAGLBSA-N 0 0 380.246 2.129 10 0 GEAERN CN(C[C@H](c1cccs1)N1CCOCC1)c1ncc(C(N)=O)cc1Cl ZINC000109320635 643292806 /nfs/dbraw/zinc/29/28/06/643292806.db2.gz LDXAFVKDOLZTKC-CQSZACIVSA-N 0 0 380.901 2.405 10 0 GEAERN O=C(c1cc(Br)cnc1Cl)N1CCO[C@H](Cn2cccn2)C1 ZINC000111083153 643326461 /nfs/dbraw/zinc/32/64/61/643326461.db2.gz WSBIXAWMBWKNME-NSHDSACASA-N 0 0 385.649 2.235 10 0 GEAERN Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3F)CCO2)n1 ZINC000111345028 643335555 /nfs/dbraw/zinc/33/55/55/643335555.db2.gz OSSBCEVMTUUXKI-CQSZACIVSA-N 0 0 387.864 2.382 10 0 GEAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1cc(C(F)(F)F)ccc1Cl ZINC000113298399 643392375 /nfs/dbraw/zinc/39/23/75/643392375.db2.gz YVVXWEQILLQJDP-SECBINFHSA-N 0 0 380.779 2.244 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1ccc(Br)cc1)CC2 ZINC000114961584 643428914 /nfs/dbraw/zinc/42/89/14/643428914.db2.gz TYGCYTJABSSFKH-CYBMUJFWSA-N 0 0 378.274 2.417 10 0 GEAERN COC(=O)[C@H](NC(=O)c1cc(I)c[nH]1)c1ccccc1 ZINC000115353366 643436452 /nfs/dbraw/zinc/43/64/52/643436452.db2.gz LKBOUHKXVYPMPU-GFCCVEGCSA-N 0 0 384.173 2.263 10 0 GEAERN O=C(c1cc(I)c[nH]1)N1CCO[C@H](c2nccs2)C1 ZINC000115378553 643437846 /nfs/dbraw/zinc/43/78/46/643437846.db2.gz PGWJOGSWACWBHI-JTQLQIEISA-N 0 0 389.218 2.290 10 0 GEAERN Cc1ccc(NC(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)c(Br)c1 ZINC000116586410 643465544 /nfs/dbraw/zinc/46/55/44/643465544.db2.gz VHKLAMBRUXQBOF-GFCCVEGCSA-N 0 0 391.269 2.446 10 0 GEAERN COCCN1CCN(C(=O)NCc2cc(F)cc(Br)c2)C[C@@H]1C ZINC000117483325 643491811 /nfs/dbraw/zinc/49/18/11/643491811.db2.gz GTBQBJSPCIDDCS-LBPRGKRZSA-N 0 0 388.281 2.450 10 0 GEAERN CC(=O)N[C@@H](CC(=O)NCCn1cc(C)cn1)c1ccc(Br)cc1 ZINC000117817992 643500055 /nfs/dbraw/zinc/50/00/55/643500055.db2.gz AKJHTZAXCASRGR-INIZCTEOSA-N 0 0 393.285 2.338 10 0 GEAERN C[C@@H](NC(=O)c1coc(S(N)(=O)=O)c1)c1ccc(OC(F)(F)F)cc1 ZINC000119050457 643531503 /nfs/dbraw/zinc/53/15/03/643531503.db2.gz ZLVLOHSHFOEFMU-MRVPVSSYSA-N 0 0 378.328 2.317 10 0 GEAERN CNS(=O)(=O)c1ccc(C(=O)O[C@@H](c2nc(C)cs2)C(F)(F)F)o1 ZINC000122118083 643650302 /nfs/dbraw/zinc/65/03/02/643650302.db2.gz CSPITWPJYRQIPT-VIFPVBQESA-N 0 0 384.357 2.413 10 0 GEAERN COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(F)cc2Br)C[C@H]1C ZINC000124986722 643696906 /nfs/dbraw/zinc/69/69/06/643696906.db2.gz NXMYVTIIJZXJLS-SCZZXKLOSA-N 0 0 380.235 2.018 10 0 GEAERN COCCN1CCN(C(=O)NCc2ccc(O)c(Br)c2)C[C@H]1C ZINC000126252874 643726265 /nfs/dbraw/zinc/72/62/65/643726265.db2.gz JRDIBRILDRPOKH-GFCCVEGCSA-N 0 0 386.290 2.017 10 0 GEAERN CSc1ccc(S(=O)(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000128399479 643801008 /nfs/dbraw/zinc/80/10/08/643801008.db2.gz QRLOIOLDYJQCJR-AWEZNQCLSA-N 0 0 378.523 2.488 10 0 GEAERN Cc1cc(I)ccc1NC(=O)Cn1ccc([C@@H](C)O)n1 ZINC000128932185 643814401 /nfs/dbraw/zinc/81/44/01/643814401.db2.gz TUCKKVCNBWCTGF-SNVBAGLBSA-N 0 0 385.205 2.488 10 0 GEAERN O=C(CSCc1cscn1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000130096503 643829203 /nfs/dbraw/zinc/82/92/03/643829203.db2.gz KUKOEPKZBWBPKP-QGZVFWFLSA-N 0 0 377.535 2.254 10 0 GEAERN C[C@@H]1COC[C@H](C)N1C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000130758578 643850003 /nfs/dbraw/zinc/85/00/03/643850003.db2.gz GGEQHUYKHLHKHT-BETUJISGSA-N 0 0 386.901 2.374 10 0 GEAERN CC[C@@H]1CN(S(=O)(=O)c2cc(C(C)=O)ccc2Cl)CCN1CCOC ZINC000132058692 643879664 /nfs/dbraw/zinc/87/96/64/643879664.db2.gz BRRAMKPYMIDKCK-OAHLLOKOSA-N 0 0 388.917 2.274 10 0 GEAERN O=C(N[C@H]1CCCC[C@H]1CO)c1ccc2ncc(I)n2c1 ZINC000151151689 643931667 /nfs/dbraw/zinc/93/16/67/643931667.db2.gz QPYFBARJGMWHLE-RYUDHWBXSA-N 0 0 399.232 2.220 10 0 GEAERN CSCc1nn(CN2CCN(Cc3c(C)nn(C)c3C)CC2)c(=S)o1 ZINC000152672235 643972219 /nfs/dbraw/zinc/97/22/19/643972219.db2.gz IGLRYQZBTHCTJG-UHFFFAOYSA-N 0 0 382.559 2.194 10 0 GEAERN O=C(CN1CC[C@@H](Oc2cccnc2)C1)Nc1ccc(Br)cn1 ZINC000154626499 644056558 /nfs/dbraw/zinc/05/65/58/644056558.db2.gz SONLNZASEARAHF-CQSZACIVSA-N 0 0 377.242 2.331 10 0 GEAERN COC(=O)[C@H]1C[C@@H]1C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000155755332 644079383 /nfs/dbraw/zinc/07/93/83/644079383.db2.gz XLRLFSNOPRMQEZ-UWVGGRQHSA-N 0 0 380.750 2.448 10 0 GEAERN COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2c2cnn(C)c2)ccc1Cl ZINC000156755714 644115852 /nfs/dbraw/zinc/11/58/52/644115852.db2.gz IOUZJYRECSYNNE-OAHLLOKOSA-N 0 0 383.857 2.386 10 0 GEAERN COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](c3cnn(C)c3)C2)ccc1Cl ZINC000156835436 644120479 /nfs/dbraw/zinc/12/04/79/644120479.db2.gz GEWYQRILQFYTKO-LLVKDONJSA-N 0 0 383.857 2.038 10 0 GEAERN CCCC(=O)N[C@H]1CCCN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)C1 ZINC000157115741 644131323 /nfs/dbraw/zinc/13/13/23/644131323.db2.gz JKRVOXWBTCUQTD-LBPRGKRZSA-N 0 0 386.901 2.264 10 0 GEAERN CCOc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2O)cc1Br ZINC000158522578 644147619 /nfs/dbraw/zinc/14/76/19/644147619.db2.gz WWTIKQPHSPMBBO-QWHCGFSZSA-N 0 0 378.288 2.430 10 0 GEAERN O=C(c1cc(Br)ccc1Br)N1CCO[C@H](CO)C1 ZINC000158797049 644160486 /nfs/dbraw/zinc/16/04/86/644160486.db2.gz ZTAFDFXMSVYHSA-VIFPVBQESA-N 0 0 379.048 2.045 10 0 GEAERN CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000158844526 644162914 /nfs/dbraw/zinc/16/29/14/644162914.db2.gz FFWFPRUEMSSPAG-SNVBAGLBSA-N 0 0 380.297 2.458 10 0 GEAERN O=S(=O)(NC[C@H](O)CN1CCc2ccccc2C1)c1ccccc1Cl ZINC000158870822 644164987 /nfs/dbraw/zinc/16/49/87/644164987.db2.gz UXOKPSUVBLJIQH-INIZCTEOSA-N 0 0 380.897 2.038 10 0 GEAERN CC(C)c1nc2n(n1)C[C@@H](NS(=O)(=O)c1cccc3c1N=S=N3)CC2 ZINC000159342356 644188296 /nfs/dbraw/zinc/18/82/96/644188296.db2.gz WKGWCWAHRADLGN-JTQLQIEISA-N 0 0 378.483 2.421 10 0 GEAERN C[C@@H]1C[C@@H]1NC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000170807547 644288302 /nfs/dbraw/zinc/28/83/02/644288302.db2.gz ATFMCQHHYIQSBH-MNOVXSKESA-N 0 0 377.919 2.216 10 0 GEAERN COC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000171375535 644320603 /nfs/dbraw/zinc/32/06/03/644320603.db2.gz WEHIXNLMMOHXLW-CHWSQXEVSA-N 0 0 385.247 2.087 10 0 GEAERN O=c1c(Cl)c(Cl)cnn1CN1CCN(c2nc3ccccc3o2)CC1 ZINC000172497379 644340507 /nfs/dbraw/zinc/34/05/07/644340507.db2.gz ZTXUQRYMDAEXPH-UHFFFAOYSA-N 0 0 380.235 2.471 10 0 GEAERN COc1ccc(Br)cc1CC(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000173089840 644350672 /nfs/dbraw/zinc/35/06/72/644350672.db2.gz DPLFOPCVYCFUDS-AWEZNQCLSA-N 0 0 395.257 2.027 10 0 GEAERN CCc1nnc([C@H]2CN(C(=O)c3ccc(F)cc3Br)CCO2)[nH]1 ZINC000173096682 644350969 /nfs/dbraw/zinc/35/09/69/644350969.db2.gz VAFCHSIJOHTCDW-GFCCVEGCSA-N 0 0 383.221 2.482 10 0 GEAERN CCc1nnc([C@H]2CN(C(=O)c3cc(Br)ccc3O)CCO2)[nH]1 ZINC000174644707 644378631 /nfs/dbraw/zinc/37/86/31/644378631.db2.gz KIRCTMRHXYWGEG-GFCCVEGCSA-N 0 0 381.230 2.049 10 0 GEAERN Cc1nccn1C[C@@H]1CCCN1Cn1nc(N2CCOCC2)sc1=S ZINC000176080860 644396907 /nfs/dbraw/zinc/39/69/07/644396907.db2.gz KFKWTRLXPGDDCU-AWEZNQCLSA-N 0 0 380.543 2.138 10 0 GEAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cnn2cc(Br)cnc12 ZINC000179714078 644470075 /nfs/dbraw/zinc/47/00/75/644470075.db2.gz OEQKAUHAIUJKOF-VIFPVBQESA-N 0 0 383.246 2.294 10 0 GEAERN COC(=O)[C@H](NC(=O)c1ccc(OC)c(Br)n1)c1ccccc1 ZINC000180973653 644519604 /nfs/dbraw/zinc/51/96/04/644519604.db2.gz HKEAUGMVOFCWPL-CYBMUJFWSA-N 0 0 379.210 2.497 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc(-c2cccs2)ns1 ZINC000182161565 644958729 /nfs/dbraw/zinc/95/87/29/644958729.db2.gz OZFCUSZMMVVAFT-SNVBAGLBSA-N 0 0 386.524 2.409 10 0 GEAERN CCOCCN1CCN(C(=O)c2ccc(OC)c(Br)n2)C[C@@H]1C ZINC000183156017 644982132 /nfs/dbraw/zinc/98/21/32/644982132.db2.gz BNFAZTUAVDRUFS-LBPRGKRZSA-N 0 0 386.290 2.036 10 0 GEAERN COc1cc(/C=C/C(=O)NC[C@@H](C)N2CCOCC2)cc(Br)c1O ZINC000183385330 644992289 /nfs/dbraw/zinc/99/22/89/644992289.db2.gz LTRDFJOJFBTRSX-AAOUONPWSA-N 0 0 399.285 2.013 10 0 GEAERN O=C(CNC(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1)NCC1CC1 ZINC000183799976 645004072 /nfs/dbraw/zinc/00/40/72/645004072.db2.gz HFTXWQRKYKGXPQ-UHFFFAOYSA-N 0 0 388.295 2.414 10 0 GEAERN COCCNC(=O)CNC(=O)[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000184772941 645026077 /nfs/dbraw/zinc/02/60/77/645026077.db2.gz OCKHWTBBBUOMJQ-CZUORRHYSA-N 0 0 389.279 2.340 10 0 GEAERN COCC(=O)NC1CN(C(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)C1 ZINC000185294381 645042479 /nfs/dbraw/zinc/04/24/79/645042479.db2.gz XZKFJBBXCVGDQI-GORDUTHDSA-N 0 0 376.762 2.345 10 0 GEAERN Cc1cc(Br)c2c(c1)CN(C(=O)N[C@H]1CCc3ncnn3C1)CC2 ZINC000187189171 645084729 /nfs/dbraw/zinc/08/47/29/645084729.db2.gz TUQSTDZMBNNPFB-ZDUSSCGKSA-N 0 0 390.285 2.432 10 0 GEAERN COc1ccc(Cl)cc1-c1nn(CN2CCCNC(=O)[C@H]2C)c(=S)[nH]1 ZINC000190708769 645164188 /nfs/dbraw/zinc/16/41/88/645164188.db2.gz PXJBAICWRMCQMM-SNVBAGLBSA-N 0 0 381.889 2.064 10 0 GEAERN CCOCCN1CCN(C(=O)c2ncc(Br)s2)C[C@H]1CC ZINC000192424735 645205001 /nfs/dbraw/zinc/20/50/01/645205001.db2.gz NFQBZLHYTSKCBH-LLVKDONJSA-N 0 0 376.320 2.479 10 0 GEAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1ccccc1Cl ZINC000192586196 645212660 /nfs/dbraw/zinc/21/26/60/645212660.db2.gz QAFFQDDKUYOBKC-LLVKDONJSA-N 0 0 377.853 2.083 10 0 GEAERN CC(C)c1ccc([C@H](C)NS(=O)(=O)CCCS(=O)(=O)N(C)C)cc1 ZINC000193795712 645299343 /nfs/dbraw/zinc/29/93/43/645299343.db2.gz LMQMNTKIKXVHHM-AWEZNQCLSA-N 0 0 376.544 2.072 10 0 GEAERN CCc1csc([C@H]2CCCN(CC(=O)NC(=O)NCC(F)(F)F)C2)n1 ZINC000195379319 645375121 /nfs/dbraw/zinc/37/51/21/645375121.db2.gz OMMQXFSADKAFCA-JTQLQIEISA-N 0 0 378.420 2.273 10 0 GEAERN Cc1nn(CCCNC(=O)c2cc3n(n2)CCCO3)c(C)c1Br ZINC000223747299 645387813 /nfs/dbraw/zinc/38/78/13/645387813.db2.gz PAYJBYIZCGVZOD-UHFFFAOYSA-N 0 0 382.262 2.062 10 0 GEAERN O=C(c1cc(I)ccc1O)N1CCC[C@@H]1CCCO ZINC000236497586 645411392 /nfs/dbraw/zinc/41/13/92/645411392.db2.gz ZBIGNZYDSRKAIE-LLVKDONJSA-N 0 0 375.206 2.374 10 0 GEAERN Cc1nc(S(=O)(=O)N2C[C@@H]3CCCN3C[C@H]2C)sc1Br ZINC000245547368 645460934 /nfs/dbraw/zinc/46/09/34/645460934.db2.gz XMZKTPHNRXARNU-SCZZXKLOSA-N 0 0 380.333 2.071 10 0 GEAERN CCCC(=O)N[C@H]1CCCN([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000245774874 645468940 /nfs/dbraw/zinc/46/89/40/645468940.db2.gz LGDHPPMHAOIQPF-GOEBONIOSA-N 0 0 382.302 2.356 10 0 GEAERN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000246573468 645485057 /nfs/dbraw/zinc/48/50/57/645485057.db2.gz XRHCBMNOFNIGFF-DGCLKSJQSA-N 0 0 378.416 2.439 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)c2sccc2Br)C[C@H]1C ZINC000246926631 645498002 /nfs/dbraw/zinc/49/80/02/645498002.db2.gz BODPYKHYUYPFAS-LLVKDONJSA-N 0 0 397.360 2.242 10 0 GEAERN O[C@@]12CCCC[C@@H]1CN(Cn1nc(Br)nc1Br)CC2 ZINC000247222704 645508093 /nfs/dbraw/zinc/50/80/93/645508093.db2.gz XVQKMFYOSYHFBI-BXKDBHETSA-N 0 0 394.111 2.388 10 0 GEAERN C[C@@H](C(=O)Nc1ccccc1Br)N1CC[C@@H](N2CCOCC2)C1 ZINC000247478081 645509786 /nfs/dbraw/zinc/50/97/86/645509786.db2.gz JWKOPDHKJZMADY-UONOGXRCSA-N 0 0 382.302 2.183 10 0 GEAERN C[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000247561338 645513435 /nfs/dbraw/zinc/51/34/35/645513435.db2.gz YWHRBODCTMJVMB-JTQLQIEISA-N 0 0 375.418 2.408 10 0 GEAERN CC(C)[C@H](SC[C@@H](O)c1ccccc1)C(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000248169319 645522408 /nfs/dbraw/zinc/52/24/08/645522408.db2.gz QXVXMQVWWNHADG-SOLBZPMBSA-N 0 0 385.551 2.171 10 0 GEAERN C[C@@H]1Cc2cc(S(=O)(=O)N3C[C@@H](c4ccsc4)[C@H](CO)C3)ccc2O1 ZINC000249192796 645548568 /nfs/dbraw/zinc/54/85/68/645548568.db2.gz AQPQRYXNNKDMAO-PVUWLOKVSA-N 0 0 379.503 2.468 10 0 GEAERN COC(=O)[C@@H]1CCCN([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000249300806 645551465 /nfs/dbraw/zinc/55/14/65/645551465.db2.gz LRORWRMBCHVRKA-DOMZBBRYSA-N 0 0 381.270 2.439 10 0 GEAERN O[C@@H](COc1cc(Cl)ccc1Cl)CN1CCO[C@H](Cn2cccn2)C1 ZINC000252352923 645565304 /nfs/dbraw/zinc/56/53/04/645565304.db2.gz OGPZYONDJMVETA-CABCVRRESA-N 0 0 386.279 2.331 10 0 GEAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000253544606 645571268 /nfs/dbraw/zinc/57/12/68/645571268.db2.gz NHYVRUUISGQWPA-WQAKAFBOSA-N 0 0 383.242 2.496 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000262490658 645633577 /nfs/dbraw/zinc/63/35/77/645633577.db2.gz XBQKBQJFLJIYTD-UHFFFAOYSA-N 0 0 381.281 2.209 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2cc3sc(N(C)C)nc3s2)C1 ZINC000262723268 645642291 /nfs/dbraw/zinc/64/22/91/645642291.db2.gz QXLNJYMCNZNDIE-UHFFFAOYSA-N 0 0 382.511 2.091 10 0 GEAERN Cc1cccc(C(=O)N(C)C[C@H]2CN(C)CCO2)c1I ZINC000601733382 653121869 /nfs/dbraw/zinc/12/18/69/653121869.db2.gz BSIYVWMLYUAWQT-GFCCVEGCSA-N 0 0 388.249 2.002 10 0 GEAERN CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2cc(Cl)nc(Cl)c2)[C@H](O)C1 ZINC000702796744 653320250 /nfs/dbraw/zinc/32/02/50/653320250.db2.gz OQGPHWNAQQAPHL-GHMZBOCLSA-N 0 0 390.267 2.346 10 0 GEAERN Cn1c(Cl)c(Cl)cc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702797981 653320272 /nfs/dbraw/zinc/32/02/72/653320272.db2.gz RHEIBWNJUCSXSB-BXKDBHETSA-N 0 0 392.283 2.290 10 0 GEAERN Cn1cc(Br)cc(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1=O ZINC000153036883 531584432 /nfs/dbraw/zinc/58/44/32/531584432.db2.gz NQCIXCOTLQPZTH-ZBEGNZNMSA-N 0 0 384.274 2.307 10 0 GEAERN C[C@@H](NC(=O)c1ccnc2c(C(N)=O)cnn21)c1ccccc1Br ZINC000153279328 531594867 /nfs/dbraw/zinc/59/48/67/531594867.db2.gz GAFHCVUYOPEZJI-SECBINFHSA-N 0 0 388.225 2.082 10 0 GEAERN CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000153530419 531603700 /nfs/dbraw/zinc/60/37/00/531603700.db2.gz ZYUBGLWXVZWSDR-STQMWFEESA-N 0 0 380.432 2.240 10 0 GEAERN Cc1cnn([C@@H]2CCCN(C(=O)C(=O)Nc3cncc(Br)c3)C2)c1 ZINC000154378919 531623002 /nfs/dbraw/zinc/62/30/02/531623002.db2.gz HIRDMCUEXJCBGD-CQSZACIVSA-N 0 0 392.257 2.151 10 0 GEAERN C[C@@H](CNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl)N1CCOCC1 ZINC000041601111 531665841 /nfs/dbraw/zinc/66/58/41/531665841.db2.gz HTRXPJMDGVBDPI-VIFPVBQESA-N 0 0 394.686 2.422 10 0 GEAERN Cc1noc([C@H]2COCCN2C(=O)COc2cccc(Br)c2)n1 ZINC000155527480 531688010 /nfs/dbraw/zinc/68/80/10/531688010.db2.gz JVDIASADUMBSSU-CYBMUJFWSA-N 0 0 382.214 2.119 10 0 GEAERN C[C@H](NC(=O)CN(C)c1ncnc2nc[nH]c21)c1ccccc1Br ZINC000045978470 531695719 /nfs/dbraw/zinc/69/57/19/531695719.db2.gz AWCUAHKNZPAPKC-JTQLQIEISA-N 0 0 389.257 2.429 10 0 GEAERN NS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCc3cc(Cl)ccc32)cc1 ZINC000056909797 531816153 /nfs/dbraw/zinc/81/61/53/531816153.db2.gz RICYUVJADMGSPK-MRXNPFEDSA-N 0 0 379.869 2.474 10 0 GEAERN C[C@@H](NC(=O)C(=O)Nc1cccc(C(N)=O)c1)c1cccc(Br)c1 ZINC000062087572 531857739 /nfs/dbraw/zinc/85/77/39/531857739.db2.gz AXIYXNZPTXLRHA-SNVBAGLBSA-N 0 0 390.237 2.364 10 0 GEAERN Cn1cc([C@H]2CCCN2C(=O)C(=O)Nc2ccc(Br)cc2)cn1 ZINC000171397016 531906788 /nfs/dbraw/zinc/90/67/88/531906788.db2.gz VRQFFPWKMUKIBG-CQSZACIVSA-N 0 0 377.242 2.485 10 0 GEAERN O=C(c1cccc(I)c1)N1CCC[C@H](n2cncn2)C1 ZINC000171664904 531910231 /nfs/dbraw/zinc/91/02/31/531910231.db2.gz RCPDSSHUGQBLHD-ZDUSSCGKSA-N 0 0 382.205 2.360 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1[nH]nc3ccc(Br)cc31)CC2 ZINC000172257008 531943120 /nfs/dbraw/zinc/94/31/20/531943120.db2.gz GJAXKJUXEUEJNM-JTQLQIEISA-N 0 0 389.257 2.224 10 0 GEAERN CC(=O)NC[C@H]1CN(C(=O)N[C@H](C)c2cccc(Br)c2)CCO1 ZINC000172272491 531943165 /nfs/dbraw/zinc/94/31/65/531943165.db2.gz NKLSCWKLBLQWNT-ABAIWWIYSA-N 0 0 384.274 2.057 10 0 GEAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)c3cccc4c3N=S=N4)CCO2)c1 ZINC000112093922 531944141 /nfs/dbraw/zinc/94/41/41/531944141.db2.gz YLOGFVCLRTUEMS-LBPRGKRZSA-N 0 0 379.467 2.008 10 0 GEAERN Cc1cnn(C[C@@H]2CN(C(=O)COc3cccc(Br)c3)CCO2)c1 ZINC000112063604 531944787 /nfs/dbraw/zinc/94/47/87/531944787.db2.gz RKCPTIIYYBEOKB-INIZCTEOSA-N 0 0 394.269 2.260 10 0 GEAERN O=C(NCCc1ccc(Br)cc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000172338473 531948470 /nfs/dbraw/zinc/94/84/70/531948470.db2.gz YQXDSEXHPVOGQP-MRXNPFEDSA-N 0 0 393.285 2.299 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(Br)cnc1Cl)CC2 ZINC000114868087 531957036 /nfs/dbraw/zinc/95/70/36/531957036.db2.gz GCJGQJFVDVNIOZ-VIFPVBQESA-N 0 0 384.665 2.396 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cccc(C[S@](C)=O)c1C ZINC000116690275 531960446 /nfs/dbraw/zinc/96/04/46/531960446.db2.gz FAZCSEBTLCENNO-VOIUYBSRSA-N 0 0 386.539 2.016 10 0 GEAERN O=C(N[C@H]1CCc2ncnn2C1)N1CCc2c(Br)cccc2C1 ZINC000172605053 531961698 /nfs/dbraw/zinc/96/16/98/531961698.db2.gz WAHNUPIJICROTH-LBPRGKRZSA-N 0 0 376.258 2.123 10 0 GEAERN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000113891827 531952818 /nfs/dbraw/zinc/95/28/18/531952818.db2.gz OQZNRSVHNLKTGD-HNNXBMFYSA-N 0 0 382.873 2.339 10 0 GEAERN C[C@@H](Oc1ccccc1Br)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172758927 531967465 /nfs/dbraw/zinc/96/74/65/531967465.db2.gz WCWSCVIQQBHPBE-KGLIPLIRSA-N 0 0 383.286 2.150 10 0 GEAERN C[C@H](Oc1cccc(Br)c1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172758677 531967753 /nfs/dbraw/zinc/96/77/53/531967753.db2.gz NABOJNQQUMNLPM-DZGCQCFKSA-N 0 0 383.286 2.150 10 0 GEAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000119434900 531968044 /nfs/dbraw/zinc/96/80/44/531968044.db2.gz WPUBKZXOLUBHSC-LLVKDONJSA-N 0 0 381.782 2.173 10 0 GEAERN C[C@H](COCc1ccccc1)NC(=O)[C@@H](C)NS(=O)(=O)c1cccs1 ZINC000172976551 531977500 /nfs/dbraw/zinc/97/75/00/531977500.db2.gz HQFODUXBGJQQNR-ZIAGYGMSSA-N 0 0 382.507 2.136 10 0 GEAERN O=S(=O)(c1ccc(Cl)nc1Cl)N1CCC(Nc2cccnn2)CC1 ZINC000172679610 531964417 /nfs/dbraw/zinc/96/44/17/531964417.db2.gz YVSYXCJYEPBIMZ-UHFFFAOYSA-N 0 0 388.280 2.444 10 0 GEAERN Cc1nnc([C@@H]2CN([C@@H](C)C(=O)Nc3ccc(Br)cc3)CCO2)[nH]1 ZINC000173015021 531980600 /nfs/dbraw/zinc/98/06/00/531980600.db2.gz YWFFVHCMEQJKOU-HZMBPMFUSA-N 0 0 394.273 2.276 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)Cc3ccc(F)c(Br)c3)CCO2)[nH]1 ZINC000173087781 531986304 /nfs/dbraw/zinc/98/63/04/531986304.db2.gz WJXOISSILAMZOY-ZDUSSCGKSA-N 0 0 383.221 2.157 10 0 GEAERN CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000120626906 531986849 /nfs/dbraw/zinc/98/68/49/531986849.db2.gz KIWNODGXQWLZFQ-LSDHHAIUSA-N 0 0 386.901 2.374 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)CCc3cccc(Br)c3)CCO2)[nH]1 ZINC000173552478 532019963 /nfs/dbraw/zinc/01/99/63/532019963.db2.gz ASMBLAMUIXVBQS-CQSZACIVSA-N 0 0 379.258 2.408 10 0 GEAERN O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CC[C@@H](N2CCOCC2)C1 ZINC000173645839 532024367 /nfs/dbraw/zinc/02/43/67/532024367.db2.gz BZXQKIBABWGVQE-GFCCVEGCSA-N 0 0 398.834 2.454 10 0 GEAERN Cc1nnc([C@@H]2CN(CCC(=O)Nc3ccccc3Br)CCO2)[nH]1 ZINC000173717328 532028291 /nfs/dbraw/zinc/02/82/91/532028291.db2.gz YDUSZWBVAIBWAT-AWEZNQCLSA-N 0 0 394.273 2.278 10 0 GEAERN CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(C)cs3)C2)cc1 ZINC000173719391 532029384 /nfs/dbraw/zinc/02/93/84/532029384.db2.gz FKGJRSZQMWRLBB-CQSZACIVSA-N 0 0 379.507 2.379 10 0 GEAERN O=C(NCCc1ccc(Br)s1)N1CC[C@H](N2CCOCC2)C1 ZINC000173768576 532032308 /nfs/dbraw/zinc/03/23/08/532032308.db2.gz NFHZHNSUUSLPIX-LBPRGKRZSA-N 0 0 388.331 2.169 10 0 GEAERN C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173788583 532034036 /nfs/dbraw/zinc/03/40/36/532034036.db2.gz UOSKOERVXOUQPN-RHSMWYFYSA-N 0 0 396.329 2.496 10 0 GEAERN COc1ccc(Br)cc1CC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000173807590 532036010 /nfs/dbraw/zinc/03/60/10/532036010.db2.gz QQKNXBAITRLKBD-XJKSGUPXSA-N 0 0 397.313 2.179 10 0 GEAERN C[C@@H](NS(=O)(=O)c1cccc(Br)c1)c1nnc2n1CCCC2 ZINC000121706595 532041946 /nfs/dbraw/zinc/04/19/46/532041946.db2.gz UOLZUSYHITVTKI-SNVBAGLBSA-N 0 0 385.287 2.416 10 0 GEAERN CCc1nn(C)c(Cl)c1CN1CCN(Cc2cc(C(N)=O)cs2)CC1 ZINC000121699665 532042250 /nfs/dbraw/zinc/04/22/50/532042250.db2.gz UDHVHZVLRHECII-UHFFFAOYSA-N 0 0 381.933 2.114 10 0 GEAERN CC(C)c1csc([C@@H]2CCCN(C(=O)[C@@H]3CCCN3S(C)(=O)=O)C2)n1 ZINC000173961310 532044361 /nfs/dbraw/zinc/04/43/61/532044361.db2.gz FFBRCQDITJYRJW-HIFRSBDPSA-N 0 0 385.555 2.397 10 0 GEAERN Cc1nnc([C@H]2CN(Cc3cc4c(cc3Br)OCO4)CCO2)[nH]1 ZINC000174099566 532048155 /nfs/dbraw/zinc/04/81/55/532048155.db2.gz YONGCVDKQZLRBH-CQSZACIVSA-N 0 0 381.230 2.178 10 0 GEAERN Brc1ccc2ncc(CN3CCO[C@@H](Cn4cccn4)C3)n2c1 ZINC000122162917 532060248 /nfs/dbraw/zinc/06/02/48/532060248.db2.gz LQPJZNMUZHXYTP-OAHLLOKOSA-N 0 0 376.258 2.194 10 0 GEAERN CC[C@H]1CN(C(=O)COc2ccccc2Br)CCN1CCOC ZINC000122260934 532062798 /nfs/dbraw/zinc/06/27/98/532062798.db2.gz FMTFDSZQMXQPDQ-AWEZNQCLSA-N 0 0 385.302 2.397 10 0 GEAERN COCCN(CC(=O)N(C)C)C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000122471799 532072057 /nfs/dbraw/zinc/07/20/57/532072057.db2.gz MVTJKDKVFNXEKC-LLVKDONJSA-N 0 0 377.268 2.324 10 0 GEAERN NS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)cs1 ZINC000174874712 532081928 /nfs/dbraw/zinc/08/19/28/532081928.db2.gz MQJCLXJSRAIDTA-HUUCEWRRSA-N 0 0 380.491 2.124 10 0 GEAERN CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H](CCO)C1 ZINC000122834327 532084093 /nfs/dbraw/zinc/08/40/93/532084093.db2.gz JAPBCWQTZURSSG-NSHDSACASA-N 0 0 378.288 2.241 10 0 GEAERN Cc1cc(N2CCC[C@H](NC(=O)c3ccccc3Br)C2=O)n(C)n1 ZINC000175012578 532086884 /nfs/dbraw/zinc/08/68/84/532086884.db2.gz LGLTVDMPHBNGAA-AWEZNQCLSA-N 0 0 391.269 2.416 10 0 GEAERN CC(=O)N[C@H]1CCCN(C(=O)c2c(F)cccc2I)C1 ZINC000123894303 532110159 /nfs/dbraw/zinc/11/01/59/532110159.db2.gz NZXFXKMIYSWXED-JTQLQIEISA-N 0 0 390.196 2.171 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cccc(Br)c1C ZINC000176017963 532122648 /nfs/dbraw/zinc/12/26/48/532122648.db2.gz MXOOHRCRTRWBFM-ZDUSSCGKSA-N 0 0 392.257 2.247 10 0 GEAERN C[C@@H]1CN(C(=O)NCc2cccc(Br)c2)C[C@@H]1N1CCOCC1 ZINC000175728144 532113286 /nfs/dbraw/zinc/11/32/86/532113286.db2.gz JVVWAMTWNBWIIV-CJNGLKHVSA-N 0 0 382.302 2.311 10 0 GEAERN C[C@H]1CN(C(=O)NCc2ccc(Br)cc2)C[C@H]1N1CCOCC1 ZINC000175767568 532113638 /nfs/dbraw/zinc/11/36/38/532113638.db2.gz AIFOYWPTDDUJSG-XJKSGUPXSA-N 0 0 382.302 2.311 10 0 GEAERN C[C@H](CNC(=O)N[C@H]1CCc2ncnn2C1)Oc1ccccc1Br ZINC000175787772 532115246 /nfs/dbraw/zinc/11/52/46/532115246.db2.gz CQXIXFGXVMBEEH-NEPJUHHUSA-N 0 0 394.273 2.122 10 0 GEAERN NS(=O)(=O)c1ccc(CNC(=O)N2CCCC[C@@H]2c2nccs2)cc1 ZINC000176133777 532127520 /nfs/dbraw/zinc/12/75/20/532127520.db2.gz XIIKQWSUYWQFCI-CQSZACIVSA-N 0 0 380.495 2.227 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000176282921 532132090 /nfs/dbraw/zinc/13/20/90/532132090.db2.gz SWQVNCYDGUMOSC-ZDUSSCGKSA-N 0 0 382.251 2.274 10 0 GEAERN NS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCCc3cc(F)ccc32)s1 ZINC000125513905 532136813 /nfs/dbraw/zinc/13/68/13/532136813.db2.gz WCTAVGRAIUEMMY-AWEZNQCLSA-N 0 0 383.470 2.411 10 0 GEAERN Cc1ccc([C@@H](CNC(=O)c2ccc(C(N)=O)s2)N2CCOCC2)s1 ZINC000176564107 532141925 /nfs/dbraw/zinc/14/19/25/532141925.db2.gz WFLGZUHXOQFKMV-GFCCVEGCSA-N 0 0 379.507 2.020 10 0 GEAERN C[C@@H](C(=O)Nc1ccccc1Br)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177229638 532165244 /nfs/dbraw/zinc/16/52/44/532165244.db2.gz IJMCRQGYSVFJDY-KEYYUXOJSA-N 0 0 396.329 2.429 10 0 GEAERN C[C@@H]1COC[C@H](C)N1C(=O)c1cccn2c(I)cnc12 ZINC000177225988 532165686 /nfs/dbraw/zinc/16/56/86/532165686.db2.gz YXYCRZBRGVAOEX-AOOOYVTPSA-N 0 0 385.205 2.188 10 0 GEAERN C[C@@H]1CN(CC(=O)Nc2ccccc2Br)C[C@@H]1N1CCOCC1 ZINC000177274436 532167719 /nfs/dbraw/zinc/16/77/19/532167719.db2.gz VOBZBHATKGDGGO-CJNGLKHVSA-N 0 0 382.302 2.040 10 0 GEAERN C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@@H]1N1CCOCC1 ZINC000176996148 532158470 /nfs/dbraw/zinc/15/84/70/532158470.db2.gz NEHYSRBCHHYDBM-RISCZKNCSA-N 0 0 379.309 2.335 10 0 GEAERN C[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C[C@@H]1N1CCOCC1 ZINC000176996531 532158687 /nfs/dbraw/zinc/15/86/87/532158687.db2.gz ZQAQLDLHEICTNK-WBMJQRKESA-N 0 0 393.336 2.476 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1sccc1Br ZINC000177002149 532158782 /nfs/dbraw/zinc/15/87/82/532158782.db2.gz NCWOOQACYIAUGJ-SECBINFHSA-N 0 0 377.289 2.224 10 0 GEAERN O=S(=O)(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)C[C@H](O)CO ZINC000177671908 532178476 /nfs/dbraw/zinc/17/84/76/532178476.db2.gz HGNMEYQIQOSVNK-GFCCVEGCSA-N 0 0 381.397 2.097 10 0 GEAERN O=C(N[C@@H]1CCCC[C@@H]1CO)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000177743955 532181672 /nfs/dbraw/zinc/18/16/72/532181672.db2.gz QJAVFFMDDHEYKX-BXUZGUMPSA-N 0 0 399.260 2.145 10 0 GEAERN O=C(Nc1ccccc1Br)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000177523019 532174497 /nfs/dbraw/zinc/17/44/97/532174497.db2.gz ZGVWAJXSSCPTDP-LBPRGKRZSA-N 0 0 396.266 2.444 10 0 GEAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000129218426 532174825 /nfs/dbraw/zinc/17/48/25/532174825.db2.gz ZKJBDDIBFSJOON-MNOVXSKESA-N 0 0 395.308 2.158 10 0 GEAERN COCc1c(Br)cccc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000177547400 532175902 /nfs/dbraw/zinc/17/59/02/532175902.db2.gz FBHFZUVDRWIKTH-BXUZGUMPSA-N 0 0 399.285 2.201 10 0 GEAERN O=C(N[C@@H]1CCCn2ncnc21)c1ccc(I)c(F)c1 ZINC000177617321 532177788 /nfs/dbraw/zinc/17/77/88/532177788.db2.gz VEQVJVDFCNUOLC-LLVKDONJSA-N 0 0 386.168 2.287 10 0 GEAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)CSCc2cscn2)CC1 ZINC000131295613 532195692 /nfs/dbraw/zinc/19/56/92/532195692.db2.gz BELKEFAYUSMUKC-UHFFFAOYSA-N 0 0 379.555 2.071 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000178182146 532196355 /nfs/dbraw/zinc/19/63/55/532196355.db2.gz VHYFFCZKLKYVGH-ZIAGYGMSSA-N 0 0 394.273 2.217 10 0 GEAERN CC(C)n1nnnc1C[S@](=O)CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000131372960 532197094 /nfs/dbraw/zinc/19/70/94/532197094.db2.gz NBSVYYOFGYSVTJ-XELLLNAOSA-N 0 0 383.905 2.376 10 0 GEAERN C[C@@H](NC(=O)C(=O)N1CCc2cc(Br)cc(F)c21)[C@@H]1CCCO1 ZINC000178419966 532200774 /nfs/dbraw/zinc/20/07/74/532200774.db2.gz QAFOTRMKZYZIRL-RNCFNFMXSA-N 0 0 385.233 2.161 10 0 GEAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000131894042 532205706 /nfs/dbraw/zinc/20/57/06/532205706.db2.gz PTFANZUOMXXTDX-GXFFZTMASA-N 0 0 377.242 2.157 10 0 GEAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000131895117 532205739 /nfs/dbraw/zinc/20/57/39/532205739.db2.gz ILYCHGBYULFDRW-GXFFZTMASA-N 0 0 377.242 2.157 10 0 GEAERN O=C(C[C@H]1CSCCS1)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000178662053 532209226 /nfs/dbraw/zinc/20/92/26/532209226.db2.gz SOVBOSYQSMGWNP-AWEZNQCLSA-N 0 0 382.555 2.220 10 0 GEAERN CNC(=O)[C@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1)C(C)C ZINC000178750132 532212430 /nfs/dbraw/zinc/21/24/30/532212430.db2.gz ZBYMDAZSSKJSFF-LLVKDONJSA-N 0 0 383.695 2.151 10 0 GEAERN NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N[C@@H]2CCOc3ccccc32)c1 ZINC000178804457 532212820 /nfs/dbraw/zinc/21/28/20/532212820.db2.gz YMJIFXMLRMEWCL-CYBMUJFWSA-N 0 0 384.816 2.380 10 0 GEAERN Cc1nc(CN2CCCN(C(=O)c3ccc(C)nc3Br)CC2)no1 ZINC000133261581 532230525 /nfs/dbraw/zinc/23/05/25/532230525.db2.gz DCEKSSTURXKOHI-UHFFFAOYSA-N 0 0 394.273 2.192 10 0 GEAERN O=C1CCCN1C[C@H](O)CN1CCOc2cc(Br)c(Cl)cc21 ZINC000178993884 532219340 /nfs/dbraw/zinc/21/93/40/532219340.db2.gz JBPVDXSIFOZTSS-SNVBAGLBSA-N 0 0 389.677 2.285 10 0 GEAERN O=C(NCCc1cscn1)[C@H]1CCC[C@@H]1C(=O)NCCc1cscn1 ZINC000179245043 532226798 /nfs/dbraw/zinc/22/67/98/532226798.db2.gz NVUUGFUFYIFWLF-GJZGRUSLSA-N 0 0 378.523 2.034 10 0 GEAERN O=C(NCCc1cscn1)[C@@H]1CCC[C@@H]1C(=O)NCCc1cscn1 ZINC000179245034 532226818 /nfs/dbraw/zinc/22/68/18/532226818.db2.gz NVUUGFUFYIFWLF-GASCZTMLSA-N 0 0 378.523 2.034 10 0 GEAERN Cc1nccn1C[C@H]1CCCN1C(=O)c1cnn2cc(Br)cnc12 ZINC000179730687 532241751 /nfs/dbraw/zinc/24/17/51/532241751.db2.gz HPBFWIPZLKUPRM-CYBMUJFWSA-N 0 0 389.257 2.302 10 0 GEAERN COC[C@@H](C)C(=O)Nc1cc(I)cc(C(=O)OC)c1 ZINC000133883371 532244373 /nfs/dbraw/zinc/24/43/73/532244373.db2.gz SZXJYEBLHPTKJP-MRVPVSSYSA-N 0 0 377.178 2.299 10 0 GEAERN O=C(c1cnn2cc(Br)cnc12)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000179842462 532246772 /nfs/dbraw/zinc/24/67/72/532246772.db2.gz WVSMTGKNMWMNBT-BZNIZROVSA-N 0 0 379.258 2.259 10 0 GEAERN CN1CCO[C@@H](CNC(=O)c2cc(Br)cc(Br)c2)C1 ZINC000179898126 532250107 /nfs/dbraw/zinc/25/01/07/532250107.db2.gz QYHPMUSEHMPVDK-LBPRGKRZSA-N 0 0 392.091 2.272 10 0 GEAERN Cc1cc(Br)ccc1S(=O)(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000133495819 532236524 /nfs/dbraw/zinc/23/65/24/532236524.db2.gz PQXDGGYOCRPZNR-ZDUSSCGKSA-N 0 0 399.314 2.450 10 0 GEAERN COCCN(C(=O)N[C@@H](C)c1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 ZINC000179570776 532237276 /nfs/dbraw/zinc/23/72/76/532237276.db2.gz ZOBQOWOTYQNINP-QWRGUYRKSA-N 0 0 380.919 2.308 10 0 GEAERN CCc1nnc(CS(=O)(=O)Cc2nc(-c3ccc(Cl)cc3)no2)n1C ZINC000180049922 532254683 /nfs/dbraw/zinc/25/46/83/532254683.db2.gz PEDPXWUSHAIXMT-UHFFFAOYSA-N 0 0 381.845 2.196 10 0 GEAERN CC(C)[C@H](NC(=O)c1cc(Br)cc(Br)c1)C(N)=O ZINC000180076549 532255915 /nfs/dbraw/zinc/25/59/15/532255915.db2.gz QOGWQUFYVYXAGU-JTQLQIEISA-N 0 0 378.064 2.451 10 0 GEAERN CCn1c(C)nnc1CS(=O)(=O)CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000180091896 532256917 /nfs/dbraw/zinc/25/69/17/532256917.db2.gz XKFLRFFKKGSCLT-UHFFFAOYSA-N 0 0 384.889 2.430 10 0 GEAERN CCc1nnc(CS(=O)(=O)[C@@H](C)C(=O)Nc2cc(Cl)ccc2F)n1C ZINC000180086262 532256990 /nfs/dbraw/zinc/25/69/90/532256990.db2.gz VBSSJRMVRPYGOK-VIFPVBQESA-N 0 0 388.852 2.112 10 0 GEAERN CC(C)[C@@H](C)NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 ZINC000135800759 532280211 /nfs/dbraw/zinc/28/02/11/532280211.db2.gz PDTFLZKPJGMKBE-IUODEOHRSA-N 0 0 388.917 2.034 10 0 GEAERN CC(C)n1nnnc1C[S@@](=O)Cc1ccc(I)cc1 ZINC000180490694 532273170 /nfs/dbraw/zinc/27/31/70/532273170.db2.gz INODOAPFFGNYEE-IBGZPJMESA-N 0 0 390.250 2.308 10 0 GEAERN CN(C)C(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2c2nccs2)cn1C ZINC000181343985 532295986 /nfs/dbraw/zinc/29/59/86/532295986.db2.gz JBYBPHAONDCXBW-ZDUSSCGKSA-N 0 0 382.511 2.099 10 0 GEAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(OC)c(Br)n1 ZINC000181332506 532296118 /nfs/dbraw/zinc/29/61/18/532296118.db2.gz ZMYHFDGFFVERTQ-SECBINFHSA-N 0 0 380.246 2.272 10 0 GEAERN C[C@@H](NC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1)c1cccs1 ZINC000181360738 532296375 /nfs/dbraw/zinc/29/63/75/532296375.db2.gz RRMLYWZKWFRPBH-MRVPVSSYSA-N 0 0 384.255 2.025 10 0 GEAERN O=S(=O)(C(Cc1ccc(O)cc1)S(=O)(=O)C(F)(F)F)C(F)(F)F ZINC000143738530 532296996 /nfs/dbraw/zinc/29/69/96/532296996.db2.gz SDCONQUBRPARGS-UHFFFAOYSA-N 0 0 386.291 2.130 10 0 GEAERN Cc1cc(Br)ccc1CC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000181781745 532306607 /nfs/dbraw/zinc/30/66/07/532306607.db2.gz DFADFGAYPSEWMU-INIZCTEOSA-N 0 0 378.270 2.424 10 0 GEAERN Clc1ccc(-n2cc(CN3CC[C@H](N4CCOCC4)C3)nn2)cc1Cl ZINC000182192799 532310091 /nfs/dbraw/zinc/31/00/91/532310091.db2.gz OUQAKAMHZNTOGE-HNNXBMFYSA-N 0 0 382.295 2.481 10 0 GEAERN Cc1sc(NC(=O)CS(=O)(=O)Cc2nnc(C(C)C)n2C)c(C)c1C ZINC000182392010 532312946 /nfs/dbraw/zinc/31/29/46/532312946.db2.gz QVNJYFXPPDSIPK-UHFFFAOYSA-N 0 0 384.527 2.479 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)cc2c1OCC2 ZINC000182474997 532313690 /nfs/dbraw/zinc/31/36/90/532313690.db2.gz FJLLTKOFQUXCLG-HNNXBMFYSA-N 0 0 386.901 2.095 10 0 GEAERN Cc1cnc([C@@H](C)CNC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)s1 ZINC000182802432 532317878 /nfs/dbraw/zinc/31/78/78/532317878.db2.gz KJMKLHLCYVMIOI-JQWIXIFHSA-N 0 0 382.511 2.263 10 0 GEAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000182954676 532319915 /nfs/dbraw/zinc/31/99/15/532319915.db2.gz ZUJNLAXGFJHJKX-LLVKDONJSA-N 0 0 392.253 2.272 10 0 GEAERN CN(C[C@@H](c1cccs1)N1CCOCC1)S(=O)(=O)c1ccc(N)cc1 ZINC000186135808 532339996 /nfs/dbraw/zinc/33/99/96/532339996.db2.gz LPHXTYNYJASJNR-INIZCTEOSA-N 0 0 381.523 2.024 10 0 GEAERN O=C(N[C@H]1CCc2ncnn2C1)N1CCc2c(Br)ccc(F)c2C1 ZINC000186253272 532340258 /nfs/dbraw/zinc/34/02/58/532340258.db2.gz GKMVBGNTEBFOOF-JTQLQIEISA-N 0 0 394.248 2.262 10 0 GEAERN Cc1cc(Cl)ncc1NC(=O)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000186270882 532340392 /nfs/dbraw/zinc/34/03/92/532340392.db2.gz KTYMEEORMCPBRE-STQMWFEESA-N 0 0 379.869 2.278 10 0 GEAERN C[N@H+](CC(=O)[O-])C1CCN(C(=O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000186625729 532341487 /nfs/dbraw/zinc/34/14/87/532341487.db2.gz XMUPJSCSTZASKS-UHFFFAOYSA-N 0 0 375.252 2.380 10 0 GEAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000186985062 532342832 /nfs/dbraw/zinc/34/28/32/532342832.db2.gz GCAUXHJNAVCBCN-JTQLQIEISA-N 0 0 380.779 2.244 10 0 GEAERN Cc1nnc([C@@H]2CN(C[C@H](O)c3ccc(F)c(Br)c3)CCO2)[nH]1 ZINC000187089766 532343183 /nfs/dbraw/zinc/34/31/83/532343183.db2.gz JRTHAYUQWTXCAE-KBPBESRZSA-N 0 0 385.237 2.122 10 0 GEAERN COc1cc(Br)c(F)cc1S(=O)(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000183720670 532328511 /nfs/dbraw/zinc/32/85/11/532328511.db2.gz QXCNBUISNGPGNN-CABZTGNLSA-N 0 0 396.278 2.426 10 0 GEAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2ccccc2C(F)(F)F)n1 ZINC000183744553 532328978 /nfs/dbraw/zinc/32/89/78/532328978.db2.gz LXCZCRILBKSHHC-NSHDSACASA-N 0 0 377.344 2.159 10 0 GEAERN CCCCN1CCOC[C@@H]1C(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000184286226 532331566 /nfs/dbraw/zinc/33/15/66/532331566.db2.gz UXFOJFFAJHAIQB-OAHLLOKOSA-N 0 0 398.301 2.005 10 0 GEAERN CC[C@@H](O)CN1CCN(C(=O)N[C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000184878184 532335578 /nfs/dbraw/zinc/33/55/78/532335578.db2.gz KCSGBJLHBJSGLU-WMLDXEAASA-N 0 0 398.345 2.478 10 0 GEAERN Cc1cc(S(=O)(=O)N2CCCN(Cc3cnn(C)c3)CC2)sc1Cl ZINC000187953461 532346100 /nfs/dbraw/zinc/34/61/00/532346100.db2.gz GVTZDSPAQMSXGM-UHFFFAOYSA-N 0 0 388.946 2.340 10 0 GEAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1nc(Br)ccc1C ZINC000188010222 532346300 /nfs/dbraw/zinc/34/63/00/532346300.db2.gz KXPHJXPPTRVIDT-JTQLQIEISA-N 0 0 380.246 2.155 10 0 GEAERN C[C@@H]1C(=O)NCCCN1C(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000188088695 532346584 /nfs/dbraw/zinc/34/65/84/532346584.db2.gz VUPRRKCOMIERCF-SNVBAGLBSA-N 0 0 379.869 2.022 10 0 GEAERN CC(C)Cc1nnc(NC(=O)CN2C[C@@H](c3ccsc3)[C@H](CO)C2)s1 ZINC000188085525 532346680 /nfs/dbraw/zinc/34/66/80/532346680.db2.gz KTYILJNKKXIPOC-KBPBESRZSA-N 0 0 380.539 2.445 10 0 GEAERN CCOc1ccc(NC(=O)C(=O)NCCn2cc(C)cn2)cc1Br ZINC000188753906 532349599 /nfs/dbraw/zinc/34/95/99/532349599.db2.gz OUDJFABEQZPNRV-UHFFFAOYSA-N 0 0 395.257 2.108 10 0 GEAERN CCOc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CO)cc1Br ZINC000188871700 532349812 /nfs/dbraw/zinc/34/98/12/532349812.db2.gz AWNYPDDFRHURAQ-RISCZKNCSA-N 0 0 399.285 2.454 10 0 GEAERN C[C@@H]1C(=O)NCCCN1C(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000188840880 532349827 /nfs/dbraw/zinc/34/98/27/532349827.db2.gz SMOQNWBWIRQTBL-MNOVXSKESA-N 0 0 384.263 2.083 10 0 GEAERN O=C(N[C@H]1CCc2ncnn2C1)N1CCc2cc(Br)ccc2C1 ZINC000189142595 532351068 /nfs/dbraw/zinc/35/10/68/532351068.db2.gz MDBZLOZAEVJHFB-AWEZNQCLSA-N 0 0 376.258 2.123 10 0 GEAERN CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)Cc2cc(Cl)ccc2F)C1 ZINC000189191675 532351338 /nfs/dbraw/zinc/35/13/38/532351338.db2.gz YIOJTUWCTIXABA-GXTWGEPZSA-N 0 0 389.836 2.462 10 0 GEAERN COC(=O)c1scc(C)c1S(=O)(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000190172178 532355029 /nfs/dbraw/zinc/35/50/29/532355029.db2.gz JEUVVIHAMLZLHR-ZDUSSCGKSA-N 0 0 383.495 2.201 10 0 GEAERN CC(=O)NC1CN(C(=O)CCOc2ccc(Cl)cc2Br)C1 ZINC000190461688 532356196 /nfs/dbraw/zinc/35/61/96/532356196.db2.gz MZJSTQVYBLKUAV-UHFFFAOYSA-N 0 0 375.650 2.218 10 0 GEAERN O=C(CNC(=O)c1cccc(Cl)c1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187605216 532344999 /nfs/dbraw/zinc/34/49/99/532344999.db2.gz ZWUOCBCGQGVVNV-HOCLYGCPSA-N 0 0 378.881 2.366 10 0 GEAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000192154777 532389977 /nfs/dbraw/zinc/38/99/77/532389977.db2.gz VUMMREYLZWUBNI-JTQLQIEISA-N 0 0 389.633 2.205 10 0 GEAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)c2cncc(Cl)n2)CC1 ZINC000192347215 532402589 /nfs/dbraw/zinc/40/25/89/532402589.db2.gz YUKKJJZIDRQKTH-UHFFFAOYSA-N 0 0 383.283 2.037 10 0 GEAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000193377687 532421993 /nfs/dbraw/zinc/42/19/93/532421993.db2.gz BUFINMBECDCZGI-VXGBXAGGSA-N 0 0 395.175 2.388 10 0 GEAERN COC(=O)C1CCN(S(=O)(=O)N[C@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000193921298 532437498 /nfs/dbraw/zinc/43/74/98/532437498.db2.gz HIAMXGMBRQGTIZ-SNVBAGLBSA-N 0 0 378.853 2.260 10 0 GEAERN CN1CCO[C@@H](CNC(=O)c2ccc(Br)cc2Br)C1 ZINC000218777480 532484286 /nfs/dbraw/zinc/48/42/86/532484286.db2.gz RVLAEOWKZNBOIQ-JTQLQIEISA-N 0 0 392.091 2.272 10 0 GEAERN CCOCCN1CCN([C@@H](C(N)=O)c2cccc(Br)c2)C[C@H]1C ZINC000245733976 532523734 /nfs/dbraw/zinc/52/37/34/532523734.db2.gz CRYZSMYCPPZZKV-CZUORRHYSA-N 0 0 384.318 2.018 10 0 GEAERN CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCN3CCCC[C@H]3C2)cc1Cl ZINC000245882890 532524929 /nfs/dbraw/zinc/52/49/29/532524929.db2.gz BNTSMSDSCQFUCN-LBPRGKRZSA-N 0 0 389.880 2.296 10 0 GEAERN CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000248086256 532550235 /nfs/dbraw/zinc/55/02/35/532550235.db2.gz STAQBJJMZYRPDA-HZPDHXFCSA-N 0 0 386.901 2.134 10 0 GEAERN O=C([C@@H]1CC(F)(F)CN1)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000263010718 532611313 /nfs/dbraw/zinc/61/13/13/532611313.db2.gz PRWMUPSZPVCMKU-QWHCGFSZSA-N 0 0 375.213 2.346 10 0 GEAERN O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CC(F)(F)CN1 ZINC000263069034 532613494 /nfs/dbraw/zinc/61/34/94/532613494.db2.gz WFTCJMOGUYBXLO-BXUZGUMPSA-N 0 0 388.256 2.389 10 0 GEAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2csc3ccccc32)CC1 ZINC000263476485 532626441 /nfs/dbraw/zinc/62/64/41/532626441.db2.gz JKAPOKKBGHQSTG-ZDUSSCGKSA-N 0 0 382.507 2.461 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000263535150 532629428 /nfs/dbraw/zinc/62/94/28/532629428.db2.gz YTKVFAWLZKIWAZ-UHFFFAOYSA-N 0 0 399.285 2.247 10 0 GEAERN C[C@H](Nc1cnn(C)c(=O)c1Br)c1ccc(-n2cncn2)cc1 ZINC000301269709 532747688 /nfs/dbraw/zinc/74/76/88/532747688.db2.gz XOFOMWNRXHTSKT-JTQLQIEISA-N 0 0 375.230 2.297 10 0 GEAERN O=S1(=O)N=C(NCc2cn3cc(Br)ccc3n2)c2ccccc21 ZINC000301058095 532738421 /nfs/dbraw/zinc/73/84/21/532738421.db2.gz ARGGUZGOWFMLOJ-UHFFFAOYSA-N 0 0 391.250 2.336 10 0 GEAERN CC[S@](=O)[C@@H]1CCC[C@@H](Nc2ccc(S(=O)(=O)N3CCCC3)cn2)C1 ZINC000301558915 532755310 /nfs/dbraw/zinc/75/53/10/532755310.db2.gz OCQPIUIPOHYFIP-FENDNCTDSA-N 0 0 385.555 2.358 10 0 GEAERN CCS(=O)(=O)c1ncc(CN(C)Cc2cnccn2)n1CCc1ccccc1 ZINC000055131675 209113617 /nfs/dbraw/zinc/11/36/17/209113617.db2.gz PEAZZAYWURZZDC-UHFFFAOYSA-N 0 0 399.520 2.341 10 0 GEAERN O=C(NCc1ccccc1OC(F)(F)F)c1ccc(N2CCOCC2)nn1 ZINC000077099908 209113160 /nfs/dbraw/zinc/11/31/60/209113160.db2.gz OHFOPKHECAAWLW-UHFFFAOYSA-N 0 0 382.342 2.142 10 0 GEAERN CC(C)c1cc(CNC(=O)C[C@H]2C(=O)NCCN2C/C=C/c2ccccc2)on1 ZINC000055090236 209112688 /nfs/dbraw/zinc/11/26/88/209112688.db2.gz CWNRKQHDUCBIRZ-ZGBFETHSSA-N 0 0 396.491 2.318 10 0 GEAERN Cn1nccc1N1CCC[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C1=O ZINC000328612065 206232724 /nfs/dbraw/zinc/23/27/24/206232724.db2.gz NVLUMKVZDRCZEP-KRWDZBQOSA-N 0 0 384.461 2.047 10 0 GEAERN Cn1nccc1N1CCC[C@H](NS(=O)(=O)c2cccc3ccccc32)C1=O 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/nfs/dbraw/zinc/71/29/77/643712977.db2.gz LEVDMAKUJDHEOS-OCCSQVGLSA-N 0 0 379.507 2.326 10 0 GEAERN COC(=O)C[C@H](NC(=O)Cc1cc(C)[nH]n1)c1cccc(Br)c1 ZINC000125864151 643714249 /nfs/dbraw/zinc/71/42/49/643714249.db2.gz BWWHMYHKOFEAIQ-AWEZNQCLSA-N 0 0 380.242 2.444 10 0 GEAERN CNS(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)c2ccc(F)c(F)c2)s1 ZINC000127045325 643756865 /nfs/dbraw/zinc/75/68/65/643756865.db2.gz HQNHLHAHGIODIQ-VIFPVBQESA-N 0 0 389.449 2.495 10 0 GEAERN C[C@@H](O)c1ccn(CC(=O)N(C)CCOc2ccc(Br)cc2)n1 ZINC000128860604 643811233 /nfs/dbraw/zinc/81/12/33/643811233.db2.gz RCFPNOZWLMIQPM-GFCCVEGCSA-N 0 0 382.258 2.236 10 0 GEAERN NS(=O)(=O)c1cc(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)cs1 ZINC000128978704 643816270 /nfs/dbraw/zinc/81/62/70/643816270.db2.gz ICBRRNYMLFCTQK-LLVKDONJSA-N 0 0 378.397 2.299 10 0 GEAERN Cc1ccc(-n2nc(Br)cc2C(=O)NC[C@@H]2CN(C)CCO2)cc1 ZINC000130273786 643833237 /nfs/dbraw/zinc/83/32/37/643833237.db2.gz KUZLLBMZURPMJC-CQSZACIVSA-N 0 0 393.285 2.004 10 0 GEAERN COc1cc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2CO)ccc1Br ZINC000130578592 643844205 /nfs/dbraw/zinc/84/42/05/643844205.db2.gz UPGZMVFAVFCVKM-GWCFXTLKSA-N 0 0 385.258 2.064 10 0 GEAERN CC[C@]1(C)NC(=O)N(CC(=O)N[C@@H](C)c2cccc(Br)c2)C1=O ZINC000130649961 643846734 /nfs/dbraw/zinc/84/67/34/643846734.db2.gz IMXXJZKTNFEZFA-QFYYESIMSA-N 0 0 382.258 2.347 10 0 GEAERN CC[C@@]1(C)NC(=O)N(CC(=O)N[C@@H](C)c2cccc(Br)c2)C1=O ZINC000130649766 643846808 /nfs/dbraw/zinc/84/68/08/643846808.db2.gz IMXXJZKTNFEZFA-MGPLVRAMSA-N 0 0 382.258 2.347 10 0 GEAERN O=C(N[C@H]1CCCC[C@@H]1CO)c1ccc2ncc(I)n2c1 ZINC000151151581 643931820 /nfs/dbraw/zinc/93/18/20/643931820.db2.gz QPYFBARJGMWHLE-NEPJUHHUSA-N 0 0 399.232 2.220 10 0 GEAERN CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCO[C@H](c3nccs3)C2)c1 ZINC000151824284 643955041 /nfs/dbraw/zinc/95/50/41/643955041.db2.gz NTCNGVZEUFREGE-ZDUSSCGKSA-N 0 0 386.882 2.414 10 0 GEAERN S=c1n(Cc2cccs2)nnn1CN1CCC(Cn2cccn2)CC1 ZINC000152751140 643973012 /nfs/dbraw/zinc/97/30/12/643973012.db2.gz YCBNHVDICJAOCS-UHFFFAOYSA-N 0 0 375.527 2.485 10 0 GEAERN CCc1nnc([C@@H]2CN(S(=O)(=O)Cc3ccc(F)c(Cl)c3)CCO2)[nH]1 ZINC000155579580 644075889 /nfs/dbraw/zinc/07/58/89/644075889.db2.gz URBYMYOQRBTEHO-ZDUSSCGKSA-N 0 0 388.852 2.063 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ncc(Br)cc1C ZINC000156464059 644097337 /nfs/dbraw/zinc/09/73/37/644097337.db2.gz NGTUAAANKQUUJL-LBPRGKRZSA-N 0 0 390.303 2.295 10 0 GEAERN Nc1ncc(Cl)cc1S(=O)(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000158440383 644144886 /nfs/dbraw/zinc/14/48/86/644144886.db2.gz YOKYYERYSPGSEE-GWCFXTLKSA-N 0 0 389.811 2.092 10 0 GEAERN CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N[C@H]1C[C@@H]1C ZINC000171072449 644305965 /nfs/dbraw/zinc/30/59/65/644305965.db2.gz PGTPWXMRYXPXTP-BPNCWPANSA-N 0 0 389.315 2.277 10 0 GEAERN O=S(=O)(c1ccc(SC(F)(F)F)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000173644895 644359993 /nfs/dbraw/zinc/35/99/93/644359993.db2.gz SXOHIGOMAWICAE-LBPRGKRZSA-N 0 0 396.456 2.394 10 0 GEAERN CS(=O)(=O)CCn1ccc(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000173961831 644365201 /nfs/dbraw/zinc/36/52/01/644365201.db2.gz AQZAXTYBGFXWDA-WDEREUQCSA-N 0 0 382.408 2.170 10 0 GEAERN C[C@H](OC(=O)c1ccc(Br)c(S(C)(=O)=O)c1)[C@@H]1CCOC1 ZINC000175259004 644387886 /nfs/dbraw/zinc/38/78/86/644387886.db2.gz DORGMQPMSNLGQC-GXSJLCMTSA-N 0 0 377.256 2.434 10 0 GEAERN Cc1csc([C@H](OC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)C(F)(F)F)n1 ZINC000175987624 644395760 /nfs/dbraw/zinc/39/57/60/644395760.db2.gz JAZHMFQORLFLLX-UWVGGRQHSA-N 0 0 386.417 2.270 10 0 GEAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccnc(Br)c2)ncn1 ZINC000176662671 644402370 /nfs/dbraw/zinc/40/23/70/644402370.db2.gz BDYYGEVKCJBXCF-GFCCVEGCSA-N 0 0 391.273 2.075 10 0 GEAERN C[C@@H](NC(=O)C[C@H](O)c1ccc(Cl)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000179609407 644465499 /nfs/dbraw/zinc/46/54/99/644465499.db2.gz PAFDVVQSKXYCJO-BZNIZROVSA-N 0 0 382.869 2.288 10 0 GEAERN CC(=O)c1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1Br ZINC000180127773 644491141 /nfs/dbraw/zinc/49/11/41/644491141.db2.gz SIJBBISFRHDVFX-UWVGGRQHSA-N 0 0 376.272 2.450 10 0 GEAERN Cc1cc(S(=O)(=O)N(C)C(=O)c2c[nH]c(C#N)c2)ccc1Br ZINC000181675400 644943455 /nfs/dbraw/zinc/94/34/55/644943455.db2.gz AXDIGARDBXFLKL-UHFFFAOYSA-N 0 0 382.239 2.418 10 0 GEAERN CC(C)c1nnc2n1C[C@@H](NS(=O)(=O)c1cccc(Br)c1)CC2 ZINC000181732693 644945506 /nfs/dbraw/zinc/94/55/06/644945506.db2.gz JPQUOIPHGJHCFR-LBPRGKRZSA-N 0 0 399.314 2.457 10 0 GEAERN CC[C@@H](O)CN1CCN(C(=O)N[C@@H](C)Cc2ccccc2Br)CC1 ZINC000181986351 644953910 /nfs/dbraw/zinc/95/39/10/644953910.db2.gz RHEAPJKWQAADAT-GOEBONIOSA-N 0 0 398.345 2.478 10 0 GEAERN CC(=O)N(c1nc(CN2C[C@@H](O)C[C@@H]2CO)cs1)c1ccc(Cl)cc1 ZINC000184010363 645006519 /nfs/dbraw/zinc/00/65/19/645006519.db2.gz WGGPUKFALJQXJC-CVEARBPZSA-N 0 0 381.885 2.409 10 0 GEAERN Cc1noc([C@H]2COCCN2CC(=O)Nc2ccc(C)cc2Br)n1 ZINC000185072615 645033528 /nfs/dbraw/zinc/03/35/28/645033528.db2.gz LVPBXUJFNNWYKA-CQSZACIVSA-N 0 0 395.257 2.461 10 0 GEAERN Cc1noc([C@H]2COCCN2Cc2cc3c(cc2Br)OCCO3)n1 ZINC000185079278 645034078 /nfs/dbraw/zinc/03/40/78/645034078.db2.gz IYPFOEYQPSTVJR-CYBMUJFWSA-N 0 0 396.241 2.485 10 0 GEAERN Cc1noc([C@@H]2COCCN2CC(=O)Nc2ccc(Br)cc2)n1 ZINC000185087086 645034682 /nfs/dbraw/zinc/03/46/82/645034682.db2.gz ZHCZHHCXPFMRJG-ZDUSSCGKSA-N 0 0 381.230 2.153 10 0 GEAERN CCO[C@H]1C[C@H](NS(=O)(=O)Cc2c(F)cccc2F)C12CCOCC2 ZINC000185157229 645037754 /nfs/dbraw/zinc/03/77/54/645037754.db2.gz HVBPPAWSQIHKQK-HOTGVXAUSA-N 0 0 375.437 2.358 10 0 GEAERN C[C@H](CCS(C)(=O)=O)OC(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000185794146 645053835 /nfs/dbraw/zinc/05/38/35/645053835.db2.gz CDFDQMPWHYEYQU-BXKDBHETSA-N 0 0 377.256 2.292 10 0 GEAERN O=C(NC1CN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C1)C1CCC1 ZINC000186179583 645062546 /nfs/dbraw/zinc/06/25/46/645062546.db2.gz BCVJDCRFDCTEAY-UHFFFAOYSA-N 0 0 380.363 2.134 10 0 GEAERN Cc1noc([C@@H]2COCCN2C(=O)Cc2ccc(F)cc2Br)n1 ZINC000187041118 645080448 /nfs/dbraw/zinc/08/04/48/645080448.db2.gz 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/nfs/dbraw/zinc/31/14/38/645311438.db2.gz RNCOACITDAEUDN-GFCCVEGCSA-N 0 0 380.495 2.026 10 0 GEAERN CCc1nnc(C[S@](=O)Cc2cc3c(cc2Br)OCO3)n1C ZINC000194127702 645314318 /nfs/dbraw/zinc/31/43/18/645314318.db2.gz VKEPOSGBAIXGEO-JOCHJYFZSA-N 0 0 386.271 2.318 10 0 GEAERN C[C@H]1CN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C[C@H](C)O1 ZINC000194730636 645346051 /nfs/dbraw/zinc/34/60/51/645346051.db2.gz NYTNNLNCRJEHAO-UWVGGRQHSA-N 0 0 376.272 2.102 10 0 GEAERN C[C@H](CNC(=O)N1CCc2c(Br)cccc2C1)N1CCOCC1 ZINC000195268820 645367808 /nfs/dbraw/zinc/36/78/08/645367808.db2.gz RMTLALWUSOIJCH-CYBMUJFWSA-N 0 0 382.302 2.238 10 0 GEAERN COc1ccc(S(=O)(=O)N2CCn3c(nnc3C(F)(F)F)[C@@H]2C)cc1 ZINC000223530464 645386907 /nfs/dbraw/zinc/38/69/07/645386907.db2.gz GAESYXTZFDOLLA-VIFPVBQESA-N 0 0 376.360 2.071 10 0 GEAERN O=C(c1cc(Br)sc1Br)N1CCO[C@@H](CO)C1 ZINC000225971670 645390121 /nfs/dbraw/zinc/39/01/21/645390121.db2.gz VDRDGBLGYQGYSN-ZCFIWIBFSA-N 0 0 385.077 2.106 10 0 GEAERN O=C(c1cc(Br)cc(Br)c1)N1CCOC[C@@H]1CO ZINC000236497923 645410905 /nfs/dbraw/zinc/41/09/05/645410905.db2.gz WETPVOJLEOQYRM-NSHDSACASA-N 0 0 379.048 2.045 10 0 GEAERN COCCN1CCN(C(=O)[C@H]2COc3ccc(Br)cc32)C[C@H]1C ZINC000245622150 645462466 /nfs/dbraw/zinc/46/24/66/645462466.db2.gz FKBDUIAMQCSXOW-DOMZBBRYSA-N 0 0 383.286 2.104 10 0 GEAERN c1csc([C@H]2CN(CCCN3CCO[C@@H](c4nccs4)C3)CCO2)n1 ZINC000247138419 645505247 /nfs/dbraw/zinc/50/52/47/645505247.db2.gz XSNOCQOSDWXGID-HUUCEWRRSA-N 0 0 380.539 2.437 10 0 GEAERN COCCN1CCN(S(=O)(=O)c2ccc(Br)c(C)c2)C[C@@H]1C ZINC000247147758 645505572 /nfs/dbraw/zinc/50/55/72/645505572.db2.gz PRMJFTJPRGFHBQ-ZDUSSCGKSA-N 0 0 391.331 2.099 10 0 GEAERN C[C@@H]1CN(Cc2nc3cc(Br)ccc3[nH]2)C[C@H]1N1CCOCC1 ZINC000248539829 645530893 /nfs/dbraw/zinc/53/08/93/645530893.db2.gz AZUHVCMWIZVHNA-MLGOLLRUSA-N 0 0 379.302 2.478 10 0 GEAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C[C@H](O)COc1cccc(Br)c1 ZINC000248812706 645539684 /nfs/dbraw/zinc/53/96/84/645539684.db2.gz HYVZVPXKURUDAT-SDNTUTLCSA-N 0 0 398.297 2.462 10 0 GEAERN CCn1cc([C@H]2CN([C@@H](C(N)=O)c3cccc(Br)c3)CCO2)cn1 ZINC000248829807 645540630 /nfs/dbraw/zinc/54/06/30/645540630.db2.gz YIPQWSAJPGRDMI-HZPDHXFCSA-N 0 0 393.285 2.265 10 0 GEAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000253544605 645571155 /nfs/dbraw/zinc/57/11/55/645571155.db2.gz NHYVRUUISGQWPA-BIMULSAOSA-N 0 0 383.242 2.496 10 0 GEAERN O=S(=O)(/C=C\c1cccc(Br)c1)N[C@H]1CCCn2ncnc21 ZINC000255469665 645581435 /nfs/dbraw/zinc/58/14/35/645581435.db2.gz QFAOCQYYIMRGRG-WOLRVDTOSA-N 0 0 383.271 2.466 10 0 GEAERN CC[C@@H](NC(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1)c1ccc(Cl)s1 ZINC000263221054 645657504 /nfs/dbraw/zinc/65/75/04/645657504.db2.gz KQJBDSCHDJSPSK-NWDGAFQWSA-N 0 0 389.905 2.279 10 0 GEAERN C[C@H]1NC(=O)CC[C@H]1NC(=O)c1cc(Cl)ccc1I ZINC000282172504 646818046 /nfs/dbraw/zinc/81/80/46/646818046.db2.gz QWFXRPOVBQFKAX-RDDDGLTNSA-N 0 0 392.624 2.342 10 0 GEAERN CO[C@@H]1C[C@@H](CO)N(C(=O)c2ccc(I)c(Cl)c2)C1 ZINC000284898420 646845318 /nfs/dbraw/zinc/84/53/18/646845318.db2.gz SDHGUDYDNVMUDN-VHSXEESVSA-N 0 0 395.624 2.166 10 0 GEAERN CN(C[C@@H]1CCc2nccn2C1)S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000328620905 647311022 /nfs/dbraw/zinc/31/10/22/647311022.db2.gz HJZZSTJMEMCYQG-LBPRGKRZSA-N 0 0 379.873 2.067 10 0 GEAERN O=S(=O)(NC[C@H]1CCn2ccnc2C1)c1sccc1Br ZINC000328641837 647311907 /nfs/dbraw/zinc/31/19/07/647311907.db2.gz YBPDRYFYTLCSBU-VIFPVBQESA-N 0 0 376.301 2.248 10 0 GEAERN O=C(N[C@H]1CCOC[C@H]1O)c1cc(Br)ccc1Br ZINC000629241635 652482133 /nfs/dbraw/zinc/48/21/33/652482133.db2.gz ZBBWBAWNBYEYPI-WDEREUQCSA-N 0 0 379.048 2.091 10 0 GEAERN Cn1c(Cl)c(Cl)cc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702797999 653320214 /nfs/dbraw/zinc/32/02/14/653320214.db2.gz RHEIBWNJUCSXSB-SKDRFNHKSA-N 0 0 392.283 2.290 10 0 GEAERN O=C(N[C@H]1CCO[C@H](c2cccnc2)C1)c1c[nH]nc1I ZINC000897906117 653943440 /nfs/dbraw/zinc/94/34/40/653943440.db2.gz TVHYBAVHEHNJRD-JQWIXIFHSA-N 0 0 398.204 2.059 10 0 GEAERN C[C@@H](CNS(=O)(=O)c1cnn2c1OCCC2)c1nc2ccccc2s1 ZINC000888077539 654065542 /nfs/dbraw/zinc/06/55/42/654065542.db2.gz HPRRSRQMMFPDTA-NSHDSACASA-N 0 0 378.479 2.357 10 0 GEAERN Cc1nc([C@H]2CCCN2C(=O)c2cc3ncc(Br)cn3n2)no1 ZINC000900867812 654084602 /nfs/dbraw/zinc/08/46/02/654084602.db2.gz OGKAKKPMIFGHFT-LLVKDONJSA-N 0 0 377.202 2.161 10 0 GEAERN CCOC(=O)c1ncc(Br)c(N2CC[C@@H](Oc3ccccn3)C2)n1 ZINC000892936764 654371096 /nfs/dbraw/zinc/37/10/96/654371096.db2.gz OQSGDKXYJRYNJV-LLVKDONJSA-N 0 0 393.241 2.469 10 0 GEAERN CN(C[C@@H]1CCn2ccnc2C1)C(=O)c1cc2ncc(Br)cn2n1 ZINC000907570948 654559112 /nfs/dbraw/zinc/55/91/12/654559112.db2.gz WMZKZVLDNILSDU-LLVKDONJSA-N 0 0 389.257 2.023 10 0 GEAERN CCCOc1c(Br)cc(C(=O)N2CCOC[C@H]2CO)cc1OC ZINC000912427732 654753454 /nfs/dbraw/zinc/75/34/54/654753454.db2.gz ONULGRZPCYRTFR-GFCCVEGCSA-N 0 0 388.258 2.080 10 0 GEAERN C[C@H](CCc1ccc(OS(=O)(=O)[O-])cc1)[NH2+]C[C@H](O)c1ccc(O)cc1 ZINC000504409492 231317585 /nfs/dbraw/zinc/31/75/85/231317585.db2.gz NNKCOTNDZHALRJ-ACJLOTCBSA-N 0 0 381.450 2.218 10 0 GEAERN C[C@@H]1CC[C@@H](C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)O1 ZINC000151498765 531506518 /nfs/dbraw/zinc/50/65/18/531506518.db2.gz PQEXAGKXCGFIEJ-DOMZBBRYSA-N 0 0 381.270 2.301 10 0 GEAERN COc1ccc(Br)cc1CC(=O)N1CCOC[C@@H]1c1nc(C)no1 ZINC000152806630 531570959 /nfs/dbraw/zinc/57/09/59/531570959.db2.gz VEBPHLFSENQFSH-CYBMUJFWSA-N 0 0 396.241 2.292 10 0 GEAERN O=C(C1CC1)N1CCCN(c2ccccc2S(=O)(=O)C(F)(F)F)CC1 ZINC000152836278 531572847 /nfs/dbraw/zinc/57/28/47/531572847.db2.gz KKTYZQDIUQMOAJ-UHFFFAOYSA-N 0 0 376.400 2.429 10 0 GEAERN COCCn1nc(C(=O)N[C@@H](C)c2ccccc2Br)ccc1=O ZINC000021914129 531590069 /nfs/dbraw/zinc/59/00/69/531590069.db2.gz QTEJEVIMHUFAPA-NSHDSACASA-N 0 0 380.242 2.143 10 0 GEAERN COc1ccc(Br)c(C(=O)NCCCNC(=O)[C@@H]2CC[C@@H](C)O2)c1 ZINC000153825369 531610155 /nfs/dbraw/zinc/61/01/55/531610155.db2.gz CLNMKGUIQZIMRX-ABAIWWIYSA-N 0 0 399.285 2.261 10 0 GEAERN C[C@H](NC(=O)c1cccc(C[S@@](C)=O)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000025994627 531615346 /nfs/dbraw/zinc/61/53/46/531615346.db2.gz OGZDYZDVVGJXFP-RZFZLAGVSA-N 0 0 379.503 2.460 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cc(C)ccc1Br ZINC000154377717 531624012 /nfs/dbraw/zinc/62/40/12/531624012.db2.gz HOCGSIFRRKHYHW-LBPRGKRZSA-N 0 0 392.257 2.247 10 0 GEAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1cccc(Br)c1 ZINC000155263040 531671049 /nfs/dbraw/zinc/67/10/49/531671049.db2.gz MFSJEFHYJSSUHC-ZDUSSCGKSA-N 0 0 379.258 2.381 10 0 GEAERN Cc1cccc(C(=O)N2CCC[C@@H]2C(=O)N(C)C)c1I ZINC000042875555 531675152 /nfs/dbraw/zinc/67/51/52/531675152.db2.gz SMPMROIYILYKEL-GFCCVEGCSA-N 0 0 386.233 2.292 10 0 GEAERN CN(C(=O)c1ccncc1Br)[C@H]1CCCN(c2cccnn2)C1 ZINC000155489838 531686469 /nfs/dbraw/zinc/68/64/69/531686469.db2.gz OHJPVUQHEZODIM-LBPRGKRZSA-N 0 0 376.258 2.375 10 0 GEAERN NS(=O)(=O)c1cccc(CNC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000048446712 531732361 /nfs/dbraw/zinc/73/23/61/531732361.db2.gz MEISTWMQJXURHX-NEPJUHHUSA-N 0 0 379.404 2.254 10 0 GEAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(C)nc1Br ZINC000157151815 531731012 /nfs/dbraw/zinc/73/10/12/531731012.db2.gz UUFZLEOEHGGROH-LLVKDONJSA-N 0 0 380.246 2.155 10 0 GEAERN CN(CCNC(=O)Nc1cc(Br)c(=O)n(C)c1)c1ccccc1 ZINC000156078076 531712700 /nfs/dbraw/zinc/71/27/00/531712700.db2.gz MJGQECNXRARNIG-UHFFFAOYSA-N 0 0 379.258 2.406 10 0 GEAERN COC(=O)[C@@H]1CCCN(C(=O)NCCOc2ccc(Br)cc2)C1 ZINC000157986657 531760413 /nfs/dbraw/zinc/76/04/13/531760413.db2.gz PXHHZFMJIKTCGL-GFCCVEGCSA-N 0 0 385.258 2.423 10 0 GEAERN O=C(N[C@@H]1COc2ccccc21)c1sccc1S(=O)(=O)N1CCCC1 ZINC000058728074 531835697 /nfs/dbraw/zinc/83/56/97/531835697.db2.gz FWLVPDCCWZDZJT-CYBMUJFWSA-N 0 0 378.475 2.396 10 0 GEAERN CCCNc1nnc(S(=O)(=O)[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)s1 ZINC000061042148 531848992 /nfs/dbraw/zinc/84/89/92/531848992.db2.gz JHUKRNMBVRCMNP-RYUDHWBXSA-N 0 0 382.511 2.400 10 0 GEAERN C[C@H](NC(=O)C(=O)Nc1cnc(N(C)C)nc1)c1ccccc1Br ZINC000162904826 531853604 /nfs/dbraw/zinc/85/36/04/531853604.db2.gz NZYCVJBBFAPVGC-JTQLQIEISA-N 0 0 392.257 2.121 10 0 GEAERN CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000064572774 531868947 /nfs/dbraw/zinc/86/89/47/531868947.db2.gz JPYHFFSFFXYXJL-NSHDSACASA-N 0 0 388.898 2.288 10 0 GEAERN COC(=O)[C@H]1CCCCN1C(=O)C(=O)Nc1cccc(Br)c1C ZINC000163585944 531860987 /nfs/dbraw/zinc/86/09/87/531860987.db2.gz VAXCDNMSSGIRMY-CYBMUJFWSA-N 0 0 383.242 2.250 10 0 GEAERN O=C(COc1ccc(Br)cc1F)N1CCC[C@@H](n2cncn2)C1 ZINC000171666295 531910365 /nfs/dbraw/zinc/91/03/65/531910365.db2.gz ULTVAIOLLKMRSK-GFCCVEGCSA-N 0 0 383.221 2.422 10 0 GEAERN O=C(c1cc(I)ccc1O)N1CCC[C@@H](n2cncn2)C1 ZINC000171822611 531918415 /nfs/dbraw/zinc/91/84/15/531918415.db2.gz BCVMBIBGEHGFRU-LLVKDONJSA-N 0 0 398.204 2.066 10 0 GEAERN CC(=O)N[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(F)cc2Br)C1 ZINC000071933659 531916440 /nfs/dbraw/zinc/91/64/40/531916440.db2.gz WZCAJFSMGGQTOI-MFKMUULPSA-N 0 0 387.249 2.483 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1sccc1Br)CC2 ZINC000172022509 531931327 /nfs/dbraw/zinc/93/13/27/531931327.db2.gz UMYBZTQICZBEHR-VIFPVBQESA-N 0 0 384.303 2.479 10 0 GEAERN O=C(c1cnn2cc(Br)cnc12)N1CCO[C@@H](c2nccs2)C1 ZINC000094128156 531931951 /nfs/dbraw/zinc/93/19/51/531931951.db2.gz MJOOECBHMOTEFE-LLVKDONJSA-N 0 0 394.254 2.162 10 0 GEAERN C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000172103545 531935276 /nfs/dbraw/zinc/93/52/76/531935276.db2.gz FOVFDCIBEZABSZ-ZIIBWEGUSA-N 0 0 383.231 2.414 10 0 GEAERN CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2CCCO2)s1 ZINC000093907569 531927307 /nfs/dbraw/zinc/92/73/07/531927307.db2.gz AOWILTVNCDQJAA-DZGCQCFKSA-N 0 0 388.555 2.299 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cccc(C[S@](C)=O)c1C ZINC000172256588 531942959 /nfs/dbraw/zinc/94/29/59/531942959.db2.gz FAZCSEBTLCENNO-GYCJOSAFSA-N 0 0 386.539 2.016 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCCc1ccc(Br)cc1)CC2 ZINC000172337925 531947511 /nfs/dbraw/zinc/94/75/11/531947511.db2.gz UUFVSGYVWIWARA-AWEZNQCLSA-N 0 0 392.301 2.460 10 0 GEAERN C[C@H](NC(=O)N1CCS(=O)(=O)C[C@@H]1C)c1ccccc1Br ZINC000172360492 531949795 /nfs/dbraw/zinc/94/97/95/531949795.db2.gz SBKHHMLWANQWEQ-QWRGUYRKSA-N 0 0 375.288 2.339 10 0 GEAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1cccc(Cl)c1Cl)CC2 ZINC000114874421 531957205 /nfs/dbraw/zinc/95/72/05/531957205.db2.gz OIFMQRPDUKKYBU-SECBINFHSA-N 0 0 375.281 2.441 10 0 GEAERN COC(=O)[C@@H]1CCCCN1C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000172389457 531951978 /nfs/dbraw/zinc/95/19/78/531951978.db2.gz BTZAHDXMRAUMAT-AWEZNQCLSA-N 0 0 393.237 2.458 10 0 GEAERN O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC[C@H](n2cncn2)C1 ZINC000114209427 531956226 /nfs/dbraw/zinc/95/62/26/531956226.db2.gz ONABGHBVSLZTSP-NSHDSACASA-N 0 0 376.360 2.203 10 0 GEAERN O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H](n2cncn2)C1 ZINC000114209526 531956292 /nfs/dbraw/zinc/95/62/92/531956292.db2.gz OBEINQVAVFETCO-LLVKDONJSA-N 0 0 376.360 2.203 10 0 GEAERN C[C@H](Oc1cccc(Br)c1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172758667 531967250 /nfs/dbraw/zinc/96/72/50/531967250.db2.gz NABOJNQQUMNLPM-ZFWWWQNUSA-N 0 0 383.286 2.150 10 0 GEAERN C[C@@H](N[C@H](C(N)=O)c1ccc(Br)cc1)c1nnc2n1CCCC2 ZINC000173625682 532022790 /nfs/dbraw/zinc/02/27/90/532022790.db2.gz AVGHAMVIIMNQAG-YGRLFVJLSA-N 0 0 378.274 2.254 10 0 GEAERN Ic1ccc(CN2CCO[C@H](Cn3cccn3)C2)cc1 ZINC000173695016 532027933 /nfs/dbraw/zinc/02/79/33/532027933.db2.gz JYLDUVGUMNBWQF-HNNXBMFYSA-N 0 0 383.233 2.389 10 0 GEAERN Cc1nccn1C[C@@H]1CCCN1S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000173743971 532031152 /nfs/dbraw/zinc/03/11/52/532031152.db2.gz VSAWCGOQVAPGBG-ZDUSSCGKSA-N 0 0 379.873 2.346 10 0 GEAERN CC(C)c1n[nH]c(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1Br ZINC000173831127 532035333 /nfs/dbraw/zinc/03/53/33/532035333.db2.gz ZFUYMWXZGUAIBP-NEPJUHHUSA-N 0 0 385.306 2.088 10 0 GEAERN Cc1nc(CN2CCCN(S(=O)(=O)c3ccc(F)cc3Cl)CC2)no1 ZINC000173826173 532035874 /nfs/dbraw/zinc/03/58/74/532035874.db2.gz NUFRERHISLNQKC-UHFFFAOYSA-N 0 0 388.852 2.067 10 0 GEAERN Cc1nc(CN2CCCN(S(=O)(=O)c3ccc(C)c(Cl)c3)CC2)no1 ZINC000173826220 532035997 /nfs/dbraw/zinc/03/59/97/532035997.db2.gz UYDUISKXNPBTIE-UHFFFAOYSA-N 0 0 384.889 2.236 10 0 GEAERN C[C@H](C(=O)Nc1ccccc1Br)N1CC[C@H](N2CCOCC2)C1 ZINC000173904432 532042126 /nfs/dbraw/zinc/04/21/26/532042126.db2.gz JWKOPDHKJZMADY-KGLIPLIRSA-N 0 0 382.302 2.183 10 0 GEAERN C[C@H](NS(=O)(=O)c1sccc1Br)c1nnc2n1CCCC2 ZINC000121736437 532045473 /nfs/dbraw/zinc/04/54/73/532045473.db2.gz MFUAFYNILSVFBL-QMMMGPOBSA-N 0 0 391.316 2.478 10 0 GEAERN Cc1nnc([C@@H]2CN(C[C@H](O)COc3c(Cl)cccc3Cl)CCO2)[nH]1 ZINC000174099345 532048506 /nfs/dbraw/zinc/04/85/06/532048506.db2.gz OVTSARSUKDUHFD-FZMZJTMJSA-N 0 0 387.267 2.233 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)COc1ccccc1Br)CC2 ZINC000122070505 532056198 /nfs/dbraw/zinc/05/61/98/532056198.db2.gz OGRXUOIMPRTOCU-NSHDSACASA-N 0 0 379.258 2.113 10 0 GEAERN COc1cc(Cl)c(S(=O)(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1Cl ZINC000122436015 532070308 /nfs/dbraw/zinc/07/03/08/532070308.db2.gz VKKMBILUHBIGQG-WDEREUQCSA-N 0 0 397.324 2.078 10 0 GEAERN Ic1ccc2ncnc(N[C@@H]3CCc4ncnn4C3)c2c1 ZINC000174742655 532075033 /nfs/dbraw/zinc/07/50/33/532075033.db2.gz LEILTEWCUCDKCT-SNVBAGLBSA-N 0 0 392.204 2.253 10 0 GEAERN COc1cc(NC(=O)N2CC[C@H](N3CCOCC3)C2)ccc1Br ZINC000175021033 532086295 /nfs/dbraw/zinc/08/62/95/532086295.db2.gz LVNJZRIQPQMCHY-ZDUSSCGKSA-N 0 0 384.274 2.396 10 0 GEAERN C[C@H]1CN(C(=O)COc2ccccc2Br)C[C@@H]1N1CCOCC1 ZINC000123125184 532093319 /nfs/dbraw/zinc/09/33/19/532093319.db2.gz CQDUGCLYSBLXEB-ZFWWWQNUSA-N 0 0 383.286 2.007 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)NCc3ccc(F)cc3Br)CCO2)[nH]1 ZINC000175439896 532103524 /nfs/dbraw/zinc/10/35/24/532103524.db2.gz UXDCYHOOEKBHEN-CYBMUJFWSA-N 0 0 398.236 2.298 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)NCc3ccc(Br)cc3)CCO2)[nH]1 ZINC000175514376 532106417 /nfs/dbraw/zinc/10/64/17/532106417.db2.gz GWOUZOHGUJGJMS-ZDUSSCGKSA-N 0 0 380.246 2.159 10 0 GEAERN C[C@@H](NC(=O)NCCNS(=O)(=O)c1cccnc1)c1ccc(Cl)s1 ZINC000123906720 532110431 /nfs/dbraw/zinc/11/04/31/532110431.db2.gz HBRLSPJKMYINGI-SNVBAGLBSA-N 0 0 388.902 2.135 10 0 GEAERN O=S(=O)(CCN1CCC[C@@H](n2cncn2)C1)c1cccc(Br)c1 ZINC000175641353 532110599 /nfs/dbraw/zinc/11/05/99/532110599.db2.gz VHRXPPLGNUOGFR-CQSZACIVSA-N 0 0 399.314 2.151 10 0 GEAERN CC(=O)N[C@H]1CCCN(C(=O)NCCOc2cccc(Br)c2)C1 ZINC000123897308 532110795 /nfs/dbraw/zinc/11/07/95/532110795.db2.gz QGGWVXJFOUMUTO-AWEZNQCLSA-N 0 0 384.274 2.138 10 0 GEAERN Cn1cc([C@H]2CCN(CCS(=O)(=O)c3cccc(Br)c3)C2)cn1 ZINC000175680769 532111583 /nfs/dbraw/zinc/11/15/83/532111583.db2.gz JPGMLHPOQWZVRF-ZDUSSCGKSA-N 0 0 398.326 2.446 10 0 GEAERN CN1CCO[C@H](CNC(=O)c2ccc(I)c(Cl)c2)C1 ZINC000175951158 532120352 /nfs/dbraw/zinc/12/03/52/532120352.db2.gz WODWUFZRMUMOFR-SNVBAGLBSA-N 0 0 394.640 2.005 10 0 GEAERN O=C(NCCNC(=O)c1cccc(Br)c1)N[C@H]1CCCC[C@@H]1CO ZINC000176027950 532122543 /nfs/dbraw/zinc/12/25/43/532122543.db2.gz MACLORHRMOYSQT-HIFRSBDPSA-N 0 0 398.301 2.029 10 0 GEAERN CNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](c3nc(C)cs3)C2)c(C)o1 ZINC000176194189 532129204 /nfs/dbraw/zinc/12/92/04/532129204.db2.gz ASMHSHUPUIAPPQ-GFCCVEGCSA-N 0 0 383.495 2.281 10 0 GEAERN O=C(c1ccccc1I)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127059306 532152454 /nfs/dbraw/zinc/15/24/54/532152454.db2.gz DTGMIXAPYFJCRD-GFCCVEGCSA-N 0 0 396.232 2.435 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)COc1ccc(C=O)cc1Br ZINC000176546246 532140641 /nfs/dbraw/zinc/14/06/41/532140641.db2.gz QCJGJLNZBATPPE-ZDUSSCGKSA-N 0 0 393.241 2.192 10 0 GEAERN CC(C)n1nnnc1C[S@](=O)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000176571695 532141398 /nfs/dbraw/zinc/14/13/98/532141398.db2.gz MJEDPXGORPUQDS-VAXYEAPXSA-N 0 0 383.905 2.422 10 0 GEAERN CC(C)n1nnnc1C[S@@](=O)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000176571678 532141448 /nfs/dbraw/zinc/14/14/48/532141448.db2.gz MJEDPXGORPUQDS-YYWUGTDISA-N 0 0 383.905 2.422 10 0 GEAERN O=S(=O)(N[C@@H]1CCCn2ncnc21)c1ccc(OC(F)F)c(Cl)c1 ZINC000176750028 532148721 /nfs/dbraw/zinc/14/87/21/532148721.db2.gz JBRYNZGEZYUMDM-SNVBAGLBSA-N 0 0 378.788 2.346 10 0 GEAERN Cc1cc(Br)ccc1NC(=O)CN1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000177258050 532166562 /nfs/dbraw/zinc/16/65/62/532166562.db2.gz AHTHBWSTHNVVFG-RHSMWYFYSA-N 0 0 396.329 2.349 10 0 GEAERN C[C@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)c1ccc(F)cc1Cl ZINC000128754777 532167874 /nfs/dbraw/zinc/16/78/74/532167874.db2.gz HVNGKZAUPCXKOD-VIFPVBQESA-N 0 0 392.861 2.166 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(Br)s1 ZINC000177006421 532158622 /nfs/dbraw/zinc/15/86/22/532158622.db2.gz NBMCEEWTZONHMT-MRVPVSSYSA-N 0 0 377.289 2.224 10 0 GEAERN C[C@@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)C[C@@H]1N1CCOCC1 ZINC000176997468 532158684 /nfs/dbraw/zinc/15/86/84/532158684.db2.gz YJXWZGSZWCQLKH-OCCSQVGLSA-N 0 0 378.416 2.047 10 0 GEAERN COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2c(C)cc(Br)cc2C)C1 ZINC000177134812 532162984 /nfs/dbraw/zinc/16/29/84/532162984.db2.gz PNZKQJVOYMFAAQ-GFCCVEGCSA-N 0 0 397.269 2.416 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000177705155 532179288 /nfs/dbraw/zinc/17/92/88/532179288.db2.gz YITDOFBCXACHDW-CQSZACIVSA-N 0 0 382.873 2.055 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cc2c(c(Br)c1)OCO2 ZINC000177710371 532179556 /nfs/dbraw/zinc/17/95/56/532179556.db2.gz ZPVUFNRLKPZOIV-LLVKDONJSA-N 0 0 379.214 2.343 10 0 GEAERN O=C(c1cncc(I)c1)N1CC[C@H](Oc2cccnc2)C1 ZINC000129526228 532179876 /nfs/dbraw/zinc/17/98/76/532179876.db2.gz NWNGGTTXGJPTIC-AWEZNQCLSA-N 0 0 395.200 2.375 10 0 GEAERN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCCn3nc(C)nc32)c1 ZINC000177725035 532180598 /nfs/dbraw/zinc/18/05/98/532180598.db2.gz FRRROBCPFYNKIX-CQSZACIVSA-N 0 0 382.873 2.298 10 0 GEAERN C[C@@H](CNC(=O)N1CCc2cc(Br)cc(F)c21)N1CCOCC1 ZINC000177846238 532185326 /nfs/dbraw/zinc/18/53/26/532185326.db2.gz XGKHGYMMSFASOA-NSHDSACASA-N 0 0 386.265 2.381 10 0 GEAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000129218855 532175394 /nfs/dbraw/zinc/17/53/94/532175394.db2.gz ZKJBDDIBFSJOON-GHMZBOCLSA-N 0 0 395.308 2.158 10 0 GEAERN C[C@@H](NC(=O)C(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1)c1cccs1 ZINC000177617233 532177669 /nfs/dbraw/zinc/17/76/69/532177669.db2.gz IMXMYQKZOJGOEF-SNVBAGLBSA-N 0 0 384.454 2.248 10 0 GEAERN C[C@@H](Nc1ncnc2c1c(Br)nn2C)c1nnc2n1CCCC2 ZINC000131187287 532194509 /nfs/dbraw/zinc/19/45/09/532194509.db2.gz HGPYNQUEVHAGFV-MRVPVSSYSA-N 0 0 377.250 2.227 10 0 GEAERN C[C@H](CNC(=O)Cc1c[nH]c2cccc(Br)c12)N1CCOCC1 ZINC000129902357 532186214 /nfs/dbraw/zinc/18/62/14/532186214.db2.gz OCUPJQQOKKHICZ-GFCCVEGCSA-N 0 0 380.286 2.310 10 0 GEAERN O=C(CCCc1cc(Cl)sc1Cl)NC[C@@H](O)CN1CCOCC1 ZINC000132353028 532213680 /nfs/dbraw/zinc/21/36/80/532213680.db2.gz SBVGHWGUTZKVSE-GFCCVEGCSA-N 0 0 381.325 2.187 10 0 GEAERN CC(=O)N[C@H]1CCCN(C(=O)c2cc(I)ccc2C)C1 ZINC000132638064 532218517 /nfs/dbraw/zinc/21/85/17/532218517.db2.gz YOSBITMMACBKJX-ZDUSSCGKSA-N 0 0 386.233 2.340 10 0 GEAERN O=C(CSCC(F)(F)F)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000179274277 532227563 /nfs/dbraw/zinc/22/75/63/532227563.db2.gz QDDJQTYGSUTOFF-UHFFFAOYSA-N 0 0 378.420 2.277 10 0 GEAERN C[C@@H](NCCNS(=O)(=O)c1cnn(C)c1)c1c(Cl)ccc(F)c1Cl ZINC000179540213 532234977 /nfs/dbraw/zinc/23/49/77/532234977.db2.gz OMESCUDMKFRNGL-SECBINFHSA-N 0 0 395.287 2.495 10 0 GEAERN Cn1cc([C@H]2CCCN2C(=O)c2cnn3cc(Br)cnc23)cn1 ZINC000179540911 532235044 /nfs/dbraw/zinc/23/50/44/532235044.db2.gz GQWUENVUIHSYKJ-CYBMUJFWSA-N 0 0 375.230 2.203 10 0 GEAERN CNC(=O)[C@H](NC(=O)CNC(=O)c1sc2ccccc2c1Cl)C(C)C ZINC000179125277 532222654 /nfs/dbraw/zinc/22/26/54/532222654.db2.gz KLNQLYNYNNAFHV-CQSZACIVSA-N 0 0 381.885 2.171 10 0 GEAERN Cn1c(CS(=O)(=O)Cc2cc(Cl)c3c(c2)OCCO3)nnc1C1CC1 ZINC000180043513 532254804 /nfs/dbraw/zinc/25/48/04/532254804.db2.gz YDMNNHXMFLPKBQ-UHFFFAOYSA-N 0 0 383.857 2.232 10 0 GEAERN CCn1c(C)nnc1CS(=O)(=O)CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000180092603 532256706 /nfs/dbraw/zinc/25/67/06/532256706.db2.gz QWEOCQDZRYQVDD-NSHDSACASA-N 0 0 384.889 2.052 10 0 GEAERN CCc1nnc(CS(=O)(=O)[C@@H](C)C(=O)Nc2cccc(Cl)c2C)n1C ZINC000180084821 532257105 /nfs/dbraw/zinc/25/71/05/532257105.db2.gz LNQLRXGJPMVWIS-NSHDSACASA-N 0 0 384.889 2.281 10 0 GEAERN O=C(Nc1cc(F)c(Br)c(F)c1)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000180112903 532258073 /nfs/dbraw/zinc/25/80/73/532258073.db2.gz ZGNJPZODEKRFLV-MNOVXSKESA-N 0 0 377.185 2.086 10 0 GEAERN NC(=O)[C@@H]1COCCN1C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000180202491 532260918 /nfs/dbraw/zinc/26/09/18/532260918.db2.gz VLTKWRHEMHMYLM-LBPRGKRZSA-N 0 0 386.260 2.443 10 0 GEAERN C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)C[C@@H]1N1CCOCC1 ZINC000180256306 532263632 /nfs/dbraw/zinc/26/36/32/532263632.db2.gz BGCQEASQUWLUIQ-ABAIWWIYSA-N 0 0 386.279 2.111 10 0 GEAERN Cc1sc2ncc(C(=O)N3CCO[C@H](c4nccs4)C3)c(=O)n2c1C ZINC000180625832 532276221 /nfs/dbraw/zinc/27/62/21/532276221.db2.gz KVMWEYQKRJZLBR-LBPRGKRZSA-N 0 0 376.463 2.043 10 0 GEAERN COc1ccc(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)nc1Br ZINC000180980951 532287470 /nfs/dbraw/zinc/28/74/70/532287470.db2.gz SSZPQIVPYHYMTC-SNVBAGLBSA-N 0 0 394.273 2.312 10 0 GEAERN O=S(=O)(c1cccc(Br)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000180978329 532287535 /nfs/dbraw/zinc/28/75/35/532287535.db2.gz INJXHFTXTUPOIX-LBPRGKRZSA-N 0 0 385.287 2.142 10 0 GEAERN CC(C)n1nnnc1C[S@](=O)Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000181196055 532292972 /nfs/dbraw/zinc/29/29/72/532292972.db2.gz PQKOTICBRAUQES-RUZDIDTESA-N 0 0 383.840 2.076 10 0 GEAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(OC)c(Br)n1 ZINC000181332488 532296075 /nfs/dbraw/zinc/29/60/75/532296075.db2.gz ZMYHFDGFFVERTQ-VIFPVBQESA-N 0 0 380.246 2.272 10 0 GEAERN Cc1cc(Br)ccc1CC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000182224061 532310751 /nfs/dbraw/zinc/31/07/51/532310751.db2.gz JXZGKGOUHMYAJD-YOEHRIQHSA-N 0 0 381.314 2.479 10 0 GEAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2cccc(Br)n2)CC1 ZINC000182632865 532315455 /nfs/dbraw/zinc/31/54/55/532315455.db2.gz GJLJQSYCBPJMOE-UHFFFAOYSA-N 0 0 392.301 2.152 10 0 GEAERN Cc1cc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cnc1Br ZINC000182839381 532318605 /nfs/dbraw/zinc/31/86/05/532318605.db2.gz NTPAENJPYOSQNJ-YVEFUNNKSA-N 0 0 396.285 2.245 10 0 GEAERN CNC(=O)[C@H](NC(=O)c1ncc(Br)cc1Br)C(C)C ZINC000185227884 532337362 /nfs/dbraw/zinc/33/73/62/532337362.db2.gz DMILHPPJSNAZBI-SECBINFHSA-N 0 0 393.079 2.107 10 0 GEAERN Cc1cc(N2CCC[C@H](NC(=O)c3cc(Cl)cc(Cl)n3)C2=O)n(C)n1 ZINC000185656808 532338311 /nfs/dbraw/zinc/33/83/11/532338311.db2.gz GILFTCZUEICVQA-NSHDSACASA-N 0 0 382.251 2.356 10 0 GEAERN CSc1ccc(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)cc1Cl ZINC000185783574 532338756 /nfs/dbraw/zinc/33/87/56/532338756.db2.gz BPSZHRGHCKDLJF-LBPRGKRZSA-N 0 0 376.931 2.157 10 0 GEAERN C[C@H](CNS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1)N1CCOCC1 ZINC000186331566 532340620 /nfs/dbraw/zinc/34/06/20/532340620.db2.gz WTCWEUHRQHWJEI-SNVBAGLBSA-N 0 0 386.823 2.358 10 0 GEAERN COC(=O)[C@@]1(C)CCCN1CC(=O)N(C)Cc1ccccc1Br ZINC000186405973 532340785 /nfs/dbraw/zinc/34/07/85/532340785.db2.gz HURDWWDZAQTHDO-QGZVFWFLSA-N 0 0 383.286 2.435 10 0 GEAERN COc1cc(Br)c(F)cc1S(=O)(=O)NC[C@H]1CCCC[C@H]1O ZINC000183720726 532328533 /nfs/dbraw/zinc/32/85/33/532328533.db2.gz QXCNBUISNGPGNN-BXKDBHETSA-N 0 0 396.278 2.426 10 0 GEAERN CCN(CC1CC1)S(=O)(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000183954937 532330193 /nfs/dbraw/zinc/33/01/93/532330193.db2.gz BMDWBAOEYIBVJM-INIZCTEOSA-N 0 0 387.571 2.030 10 0 GEAERN CC(C)n1nnnc1C[S@](=O)Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000184623876 532333907 /nfs/dbraw/zinc/33/39/07/532333907.db2.gz WADHLTNKEHIWLO-RUZDIDTESA-N 0 0 379.877 2.152 10 0 GEAERN COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000184674114 532334378 /nfs/dbraw/zinc/33/43/78/532334378.db2.gz NXYAEKDHAXOUDJ-WCQYABFASA-N 0 0 399.285 2.372 10 0 GEAERN CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1ccc(C(=O)[O-])c(Br)c1 ZINC000184911437 532335740 /nfs/dbraw/zinc/33/57/40/532335740.db2.gz ALJBCJDSWIUEBC-JTQLQIEISA-N 0 0 393.303 2.156 10 0 GEAERN CCc1nnc([C@@H]2CN(S(=O)(=O)c3cc(C)c(Cl)s3)CCO2)[nH]1 ZINC000188062718 532346496 /nfs/dbraw/zinc/34/64/96/532346496.db2.gz KGSKTELLRQEWJN-VIFPVBQESA-N 0 0 376.891 2.153 10 0 GEAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cc(Br)c(C)cc2C)C1 ZINC000188070583 532346553 /nfs/dbraw/zinc/34/65/53/532346553.db2.gz AYOCYXVMROEDKY-ZDUSSCGKSA-N 0 0 396.285 2.132 10 0 GEAERN COC(=O)[C@@]1(C)CCCN1S(=O)(=O)c1cccc(C)c1Br ZINC000188209481 532347389 /nfs/dbraw/zinc/34/73/89/532347389.db2.gz PNEZMFXJJICZIQ-CQSZACIVSA-N 0 0 376.272 2.474 10 0 GEAERN COc1cc(C(=O)N2CC(NC(=O)C3CCC3)C2)cc(OC)c1Br ZINC000188475831 532348462 /nfs/dbraw/zinc/34/84/62/532348462.db2.gz ZWEQVGBIFMRACF-UHFFFAOYSA-N 0 0 397.269 2.207 10 0 GEAERN O=C(NC1CN(C(=O)NCCOc2ncc(Cl)cc2Cl)C1)C1CCC1 ZINC000188898435 532350068 /nfs/dbraw/zinc/35/00/68/532350068.db2.gz OYPURVWKVCSYDC-UHFFFAOYSA-N 0 0 387.267 2.077 10 0 GEAERN CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000189188321 532351251 /nfs/dbraw/zinc/35/12/51/532351251.db2.gz PJTPPFSKGIFZSS-CMPLNLGQSA-N 0 0 375.809 2.321 10 0 GEAERN CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000189191842 532351340 /nfs/dbraw/zinc/35/13/40/532351340.db2.gz VNTSRIPFTJOLIR-TVQRCGJNSA-N 0 0 375.809 2.321 10 0 GEAERN CCn1cc([C@@H]2CN(S(=O)(=O)c3ccc(F)c(F)c3F)CCO2)cn1 ZINC000189225051 532351383 /nfs/dbraw/zinc/35/13/83/532351383.db2.gz IVWDYXXRHPXQGR-LBPRGKRZSA-N 0 0 375.372 2.083 10 0 GEAERN CC(=O)NC1CN(C(=O)CCc2ncc(-c3ccccc3Br)o2)C1 ZINC000190449777 532356074 /nfs/dbraw/zinc/35/60/74/532356074.db2.gz SXOBPYFPWOAMKV-UHFFFAOYSA-N 0 0 392.253 2.384 10 0 GEAERN O=C(Nc1cc(Cl)c(F)c(Cl)c1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000190556656 532356849 /nfs/dbraw/zinc/35/68/49/532356849.db2.gz PLEWUDKLLDLRPO-NSHDSACASA-N 0 0 390.242 2.004 10 0 GEAERN CCn1c(C)nnc1CN1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191312807 532360377 /nfs/dbraw/zinc/36/03/77/532360377.db2.gz FGHRGCSWNCVWMK-UHFFFAOYSA-N 0 0 375.424 2.189 10 0 GEAERN Cc1ccc(Br)nc1C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000191680888 532362238 /nfs/dbraw/zinc/36/22/38/532362238.db2.gz PISSMQDMUVANOL-LBPRGKRZSA-N 0 0 376.258 2.341 10 0 GEAERN O=C(Nc1cccc(Cl)c1Br)C(=O)N[C@H]1CCCn2ncnc21 ZINC000192088424 532386335 /nfs/dbraw/zinc/38/63/35/532386335.db2.gz MDYMARXQQLKSHB-JTQLQIEISA-N 0 0 398.648 2.284 10 0 GEAERN CC[C@@H](C)CS(=O)(=O)N1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000192232293 532396314 /nfs/dbraw/zinc/39/63/14/532396314.db2.gz URFAWGHMBJENRV-CVEARBPZSA-N 0 0 376.563 2.490 10 0 GEAERN CN(C(=O)c1ccoc1Br)C1CC[NH+](CCn2cccn2)CC1 ZINC000193859168 532432599 /nfs/dbraw/zinc/43/25/99/532432599.db2.gz ZXPKKCOLHSDVRH-UHFFFAOYSA-N 0 0 381.274 2.475 10 0 GEAERN Cc1csc([C@H]2CN(S(=O)(=O)c3cccc4nsnc43)CCO2)n1 ZINC000193942967 532437182 /nfs/dbraw/zinc/43/71/82/532437182.db2.gz YUVQWXSLZQJNMA-LLVKDONJSA-N 0 0 382.492 2.218 10 0 GEAERN CCc1nnc(C[S@](=O)Cc2cn(-c3ccc(F)c(Cl)c3)nn2)n1C ZINC000194310479 532446764 /nfs/dbraw/zinc/44/67/64/532446764.db2.gz IOZYFRZKLFPRPA-RUZDIDTESA-N 0 0 382.852 2.200 10 0 GEAERN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)S(=O)(=O)Cc1nnnn1C(C)C ZINC000195428068 532476998 /nfs/dbraw/zinc/47/69/98/532476998.db2.gz PINNGUZDZSHJKH-LLVKDONJSA-N 0 0 385.877 2.158 10 0 GEAERN C[C@@H]1CN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C[C@H]1N1CCOCC1 ZINC000246639688 532543105 /nfs/dbraw/zinc/54/31/05/532543105.db2.gz ZHCIUBOZIOEHSN-MLGOLLRUSA-N 0 0 393.336 2.476 10 0 GEAERN Cc1cc(S(=O)(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c(Cl)cc1F ZINC000246079245 532531102 /nfs/dbraw/zinc/53/11/02/532531102.db2.gz ZIYRXQQJYJNZHO-WFASDCNBSA-N 0 0 376.881 2.129 10 0 GEAERN CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000248857980 532557829 /nfs/dbraw/zinc/55/78/29/532557829.db2.gz FACGGMBNTLJYKJ-MNOVXSKESA-N 0 0 390.864 2.425 10 0 GEAERN Cc1noc([C@H]2COCCN2C[C@@H](O)COc2c(Cl)cccc2Cl)n1 ZINC000249291277 532563268 /nfs/dbraw/zinc/56/32/68/532563268.db2.gz KUSVSCQMPHAAHG-BXUZGUMPSA-N 0 0 388.251 2.498 10 0 GEAERN COCCN1CCN(C(=O)[C@H](C)Oc2ccccc2Br)C[C@@H]1C ZINC000247255207 532546149 /nfs/dbraw/zinc/54/61/49/532546149.db2.gz YBKUBLVMRXPRIB-KBPBESRZSA-N 0 0 385.302 2.396 10 0 GEAERN O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)[C@H]1CC(F)(F)CN1 ZINC000263069039 532614060 /nfs/dbraw/zinc/61/40/60/532614060.db2.gz WFTCJMOGUYBXLO-SMDDNHRTSA-N 0 0 388.256 2.389 10 0 GEAERN COc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)CC(=O)[O-])CC2)cc1Br ZINC000262999338 532610709 /nfs/dbraw/zinc/61/07/09/532610709.db2.gz WXKPVEBIXJSGAH-CYBMUJFWSA-N 0 0 399.285 2.469 10 0 GEAERN O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CC(F)(F)CN1 ZINC000263069036 532613322 /nfs/dbraw/zinc/61/33/22/532613322.db2.gz WFTCJMOGUYBXLO-FZMZJTMJSA-N 0 0 388.256 2.389 10 0 GEAERN Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@H]1CC(F)(F)CN1 ZINC000263293404 532622835 /nfs/dbraw/zinc/62/28/35/532622835.db2.gz VYKNWQABXQVHPB-LBPRGKRZSA-N 0 0 390.228 2.200 10 0 GEAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(Cc2ccc(Cl)c(Br)c2)CCO1 ZINC000263529593 532629740 /nfs/dbraw/zinc/62/97/40/532629740.db2.gz VTQAYRXKBJHTBX-LBPRGKRZSA-N 0 0 391.693 2.320 10 0 GEAERN CN(C)C(=O)[C@@H]1CCCN(c2ccc(F)cc2S(=O)(=O)C(F)(F)F)C1 ZINC000301185480 532744005 /nfs/dbraw/zinc/74/40/05/532744005.db2.gz OZYJZDJIXJTHLJ-SNVBAGLBSA-N 0 0 382.379 2.424 10 0 GEAERN O=S(=O)(c1ccc(F)c(F)c1)N1CCN(c2nc(C3CC3)ns2)CC1 ZINC000301582726 532754615 /nfs/dbraw/zinc/75/46/15/532754615.db2.gz OCNXSFMVRMNTOJ-UHFFFAOYSA-N 0 0 386.449 2.205 10 0 GEAERN O[C@H](CNc1ccc2cc(Br)c(F)cc2n1)CN1CCOCC1 ZINC000301726259 532759290 /nfs/dbraw/zinc/75/92/90/532759290.db2.gz MSKMYVRGSCEVPW-GFCCVEGCSA-N 0 0 384.249 2.241 10 0 GEAERN O=S1(=O)CC[C@H](N2CCN(c3ccc4c(Cl)ccnc4c3F)CC2)C1 ZINC000301725129 532759554 /nfs/dbraw/zinc/75/95/54/532759554.db2.gz MBISPEPBWKACPX-LBPRGKRZSA-N 0 0 383.876 2.336 10 0 GEAERN CO[C@H]1C[C@@H](CO)N(C(=O)c2cc(Cl)ccc2I)C1 ZINC000311900989 532778311 /nfs/dbraw/zinc/77/83/11/532778311.db2.gz CIOLJDPCQZEETK-UWVGGRQHSA-N 0 0 395.624 2.166 10 0 GEAERN Cc1nc(NC[C@H](O)CS(=O)(=O)c2cccs2)ccc1Br ZINC000302110438 532765271 /nfs/dbraw/zinc/76/52/71/532765271.db2.gz ZIBRKUVRVGNCTK-JTQLQIEISA-N 0 0 391.312 2.461 10 0 GEAERN COC(=O)c1cc(NCCn2ccnn2)c2cc(Br)ccc2n1 ZINC000302177144 532769116 /nfs/dbraw/zinc/76/91/16/532769116.db2.gz NDYRXDFLTXLZIH-UHFFFAOYSA-N 0 0 376.214 2.488 10 0 GEAERN CNC(=O)c1ccc([C@H]2CCCCN2CCS(=O)(=O)c2ccccc2)n1C ZINC000328654945 206238258 /nfs/dbraw/zinc/23/82/58/206238258.db2.gz XVXRGMZQHIJTHY-GOSISDBHSA-N 0 0 389.521 2.386 10 0 GEAERN CCOC(=O)C1=CNN=C[C@]12C(=O)N=C(Nc1ccccc1)N2c1ccccc1 ZINC000005499654 206293503 /nfs/dbraw/zinc/29/35/03/206293503.db2.gz BCALEAJVGLIWCP-OAQYLSRUSA-N 0 0 389.415 2.276 10 0 GEAERN OCCOCCN1CCN([C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000022463097 206298259 /nfs/dbraw/zinc/29/82/59/206298259.db2.gz CQMJYIJMUFRNKJ-FQEVSTJZSA-N 0 0 375.900 2.451 10 0 in-man GEAERN O=C1CN(Cc2cn[nH]c2)C[C@H](OCc2ccccn2)CN1C1CCCCC1 ZINC000014540691 207023520 /nfs/dbraw/zinc/02/35/20/207023520.db2.gz FWDSDHRIHFLMEW-FQEVSTJZSA-N 0 0 383.496 2.367 10 0 GEAERN COC(=O)CCN1CCc2c(c(C(=O)NC3CCCC3)nn2CC(C)C)C1 ZINC000014539529 207024246 /nfs/dbraw/zinc/02/42/46/207024246.db2.gz BEQFSYGPPSYBIK-UHFFFAOYSA-N 0 0 376.501 2.133 10 0 GEAERN Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]Cc1ccsc1)C2 ZINC000014732838 207026548 /nfs/dbraw/zinc/02/65/48/207026548.db2.gz YERLLKBMAHJDNX-CQSZACIVSA-N 0 0 376.551 2.318 10 0 GEAERN CCCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH+]1CCC(CO)CC1)C2 ZINC000014732188 207026797 /nfs/dbraw/zinc/02/67/97/207026797.db2.gz JTRMXRYNDFFDNW-GOSISDBHSA-N 0 0 388.556 2.481 10 0 GEAERN CNC(=O)c1nn(CCc2ccccc2)c2c1C[C@H](NCC(F)(F)F)CC2 ZINC000014741525 207027819 /nfs/dbraw/zinc/02/78/19/207027819.db2.gz ZECADAPCMSAEQP-CQSZACIVSA-N 0 0 380.414 2.495 10 0 GEAERN O=C(Nc1ccc2c(c1)CN(S(=O)(=O)N1CCCC1)CC2)c1ccncc1 ZINC000015078018 207045604 /nfs/dbraw/zinc/04/56/04/207045604.db2.gz WFWHWXOFKUHXMU-UHFFFAOYSA-N 0 0 386.477 2.033 10 0 GEAERN Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000015879156 207066714 /nfs/dbraw/zinc/06/67/14/207066714.db2.gz GVCYNRAIFAVWQZ-UHFFFAOYSA-N 0 0 387.461 2.187 10 0 GEAERN CC(C)CS(=O)(=O)c1ncc(CN2CCOCC2)n1Cc1ccccc1 ZINC000019536589 207130203 /nfs/dbraw/zinc/13/02/03/207130203.db2.gz XPLMIRYVRVKMSV-UHFFFAOYSA-N 0 0 377.510 2.193 10 0 GEAERN Cc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCC[C@@H]2c2ccccn2)c1 ZINC000019795254 207163483 /nfs/dbraw/zinc/16/34/83/207163483.db2.gz UAAVIIWCMQNSKI-RTWAWAEBSA-N 0 0 392.503 2.444 10 0 GEAERN Cc1[nH]c(=O)sc1S(=O)(=O)NCc1cc(F)ccc1Br ZINC000038039540 207263214 /nfs/dbraw/zinc/26/32/14/207263214.db2.gz VZLGPLCUBPFYRJ-UHFFFAOYSA-N 0 0 381.248 2.125 10 0 GEAERN O=C(c1cc(-c2cn[nH]c2)nc2ccccc21)N1CCN(c2cnccn2)CC1 ZINC000023337295 207274793 /nfs/dbraw/zinc/27/47/93/207274793.db2.gz QJKRXAJCJCXXGZ-UHFFFAOYSA-N 0 0 385.431 2.377 10 0 GEAERN O=C(NCc1ccncc1)c1coc(CN2CCN(Cc3ccccc3)CC2)n1 ZINC000023373090 207276227 /nfs/dbraw/zinc/27/62/27/207276227.db2.gz UZVUHZGBAAUZDE-UHFFFAOYSA-N 0 0 391.475 2.317 10 0 GEAERN Cc1ccn2c(c1)ncc(C(=O)N1CCC[C@@H]1c1ccc(C(N)=O)s1)c2=O ZINC000023505759 207278699 /nfs/dbraw/zinc/27/86/99/207278699.db2.gz FNQAJSWRXRKTMG-CYBMUJFWSA-N 0 0 382.445 2.141 10 0 GEAERN CCOC(=O)c1c(C)oc2ncn(CCn3c4ccccc4oc3=O)c(=O)c21 ZINC000026112340 207310146 /nfs/dbraw/zinc/31/01/46/207310146.db2.gz FOXAEIOYLPDDAG-UHFFFAOYSA-N 0 0 383.360 2.083 10 0 GEAERN O=C([C@H]1CCc2n[nH]nc2C1)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000367474978 532925421 /nfs/dbraw/zinc/92/54/21/532925421.db2.gz ATFBBWKJOBMSNM-LRDDRELGSA-N 0 0 391.269 2.272 10 0 GEAERN CC(=O)N[C@@H]1CN(c2cc(C(=O)NC3CC3)ccn2)C[C@H]1c1ccc(C)cc1 ZINC000077471881 208047734 /nfs/dbraw/zinc/04/77/34/208047734.db2.gz DVTRSOZYNUTKRO-VQTJNVASSA-N 0 0 378.476 2.391 10 0 GEAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](C(=O)NCc2ccccc2Br)C1 ZINC000085348036 208100770 /nfs/dbraw/zinc/10/07/70/208100770.db2.gz ZFVJATAXXRKENM-JSGCOSHPSA-N 0 0 399.285 2.293 10 0 GEAERN O=C(c1ccc2[nH]ccc2c1)N1CCCN([C@@H]2CCN(CC3CC3)C2=O)CC1 ZINC000085824389 208102345 /nfs/dbraw/zinc/10/23/45/208102345.db2.gz HVTHNRKQAQFWIN-HXUWFJFHSA-N 0 0 380.492 2.327 10 0 GEAERN COc1ccc2c(c1)[C@H](C(=O)N1CCCN(Cc3ccncc3)CC1)CC(=O)N2 ZINC000091518760 208122743 /nfs/dbraw/zinc/12/27/43/208122743.db2.gz SYPLKPBMVFBNQP-LJQANCHMSA-N 0 0 394.475 2.251 10 0 GEAERN COc1ccccc1-n1cc([C@@H](C)NC(=O)c2cnc(C3CC3)[nH]c2=O)cn1 ZINC000091519151 208124215 /nfs/dbraw/zinc/12/42/15/208124215.db2.gz GJYRPGRAOKELME-GFCCVEGCSA-N 0 0 379.420 2.333 10 0 GEAERN COCCN1C[C@@]2(CCCN(C(=O)Cc3sc(C)nc3C)C2)CCC1=O ZINC000091907844 208140265 /nfs/dbraw/zinc/14/02/65/208140265.db2.gz PABUYMBHCSPRMB-IBGZPJMESA-N 0 0 379.526 2.180 10 0 GEAERN COc1ccc(N2C[C@@H](C(=O)NCc3[nH]nc4c3CCC4)CC2=O)cc1Cl ZINC000091997927 208147074 /nfs/dbraw/zinc/14/70/74/208147074.db2.gz KEYYVRCNGJVZBA-NSHDSACASA-N 0 0 388.855 2.230 10 0 GEAERN COc1ccc(CS(=O)(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1 ZINC000095076385 208153389 /nfs/dbraw/zinc/15/33/89/208153389.db2.gz XXKPWPZJELQCFH-CQSZACIVSA-N 0 0 384.498 2.466 10 0 GEAERN COc1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)CC23CCCCC3)c(OC)c1 ZINC000096309612 208303779 /nfs/dbraw/zinc/30/37/79/208303779.db2.gz SHOILKMAGSOBBI-HNNXBMFYSA-N 0 0 396.509 2.484 10 0 GEAERN NC(=O)CN1CCC(C(=O)NCc2ccccc2OCc2ccccc2)CC1 ZINC000097217584 208342354 /nfs/dbraw/zinc/34/23/54/208342354.db2.gz WYRVMTSFCJKKHR-UHFFFAOYSA-N 0 0 381.476 2.079 10 0 GEAERN Cc1cccc2sc(NC(=O)c3nn(C)c4c3CS(=O)(=O)CC4)nc21 ZINC000041070333 208384117 /nfs/dbraw/zinc/38/41/17/208384117.db2.gz GADHZWAPOWKUPA-UHFFFAOYSA-N 0 0 376.463 2.061 10 0 GEAERN O=C(Cc1ccc(-n2cnnn2)cc1)Nc1ccn(Cc2ccccc2F)n1 ZINC000028235696 208942796 /nfs/dbraw/zinc/94/27/96/208942796.db2.gz CQOFLPBTOLNFMY-UHFFFAOYSA-N 0 0 377.383 2.227 10 0 GEAERN COc1ccc(CN2C[C@H]3CN(Cc4cccc(OC)n4)CCN3C2=O)cc1 ZINC000096269136 209013497 /nfs/dbraw/zinc/01/34/97/209013497.db2.gz DXVZKCCMFDFWJZ-GOSISDBHSA-N 0 0 382.464 2.221 10 0 GEAERN COC(=O)[C@@H]1C[C@H](O)C(=O)[C@@H]2[C@@]3(C)C[C@@H](c4ccoc4)OC(=O)[C@@H]3CC[C@]12C ZINC000254286794 209042906 /nfs/dbraw/zinc/04/29/06/209042906.db2.gz BLTMVAIOAAGYAR-CWNQNJFTSA-N 0 0 390.432 2.429 10 0 in-vitro GEAERN CC(C)[C@]1(C)CCO[P@@](=O)(CO[C@H](C)CN2CN=C3C(=N)NC=N[C@H]32)OC1 ZINC000253496206 209043093 /nfs/dbraw/zinc/04/30/93/209043093.db2.gz VQOGILKYMYAKIN-JIIWYOCTSA-N 0 0 399.432 2.081 10 0 GEAERN C[C@H](CC(=O)N[C@H]1CCCC[C@H]1C)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000009151642 221072140 /nfs/dbraw/zinc/07/21/40/221072140.db2.gz ZUGMBVDHNCRYAY-NFAWXSAZSA-N 0 0 394.493 2.265 10 0 GEAERN Cc1ccccc1CC(=O)N1CCN(c2nc3ccccc3n(C)c2=O)CC1 ZINC000065113098 136159230 /nfs/dbraw/zinc/15/92/30/136159230.db2.gz WTDSXDGETORPSF-UHFFFAOYSA-N 0 0 376.460 2.133 10 0 GEAERN Cc1cc(C)c2c(n1)nc(C(=O)N[C@H](C)c1cccnc1)nc2N1CCOCC1 ZINC000065232054 136160657 /nfs/dbraw/zinc/16/06/57/136160657.db2.gz YUBNUBIDSXMWEC-OAHLLOKOSA-N 0 0 392.463 2.364 10 0 GEAERN CCOC(=O)CN1C(=O)N(c2cccc(F)c2)c2ncccc2S1(=O)=O ZINC000065255466 136161698 /nfs/dbraw/zinc/16/16/98/136161698.db2.gz QJDKBTJNQUHEMR-UHFFFAOYSA-N 0 0 379.369 2.046 10 0 GEAERN CNc1nccc(N2CCC(CC(=O)NCCOc3ccccc3OC)CC2)n1 ZINC000065282108 136162394 /nfs/dbraw/zinc/16/23/94/136162394.db2.gz KKVDAMFSBLKGHA-UHFFFAOYSA-N 0 0 399.495 2.329 10 0 GEAERN CN1CCN(C(=O)c2cc3c(s2)CCN(C(=O)c2ccc(F)cc2)C3)CC1 ZINC000065201508 222109746 /nfs/dbraw/zinc/10/97/46/222109746.db2.gz ZPRRSGYCTYGUIX-UHFFFAOYSA-N 0 0 387.480 2.473 10 0 GEAERN CC(=O)N[C@@]12CN(C(=O)OC(C)(C)C)C[C@H]1CN(C(=O)OC(C)(C)C)CC2 ZINC000309850795 526864837 /nfs/dbraw/zinc/86/48/37/526864837.db2.gz AVXYJUINMBTKSS-KUHUBIRLSA-N 0 0 383.489 2.369 10 0 GEAERN O=C([O-])C[NH+]1CCN(c2cc(-c3ccncc3)nc(-c3ccccc3)n2)CC1 ZINC000073685414 527611905 /nfs/dbraw/zinc/61/19/05/527611905.db2.gz IKLLSEWCYQTZTR-UHFFFAOYSA-N 0 0 375.432 2.412 10 0 GEAERN CC[C@@H](C)[C@H]1NC2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N(C)C1=O ZINC000036029161 570513891 /nfs/dbraw/zinc/51/38/91/570513891.db2.gz COLUSIZWBSLZRJ-CZUORRHYSA-N 0 0 399.944 2.297 10 0 GEAERN Cc1cc(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)nc(N(C)C)n1 ZINC000188282680 570538878 /nfs/dbraw/zinc/53/88/78/570538878.db2.gz QYYOKSJRRJIGKB-UHFFFAOYSA-N 0 0 390.387 2.228 10 0 GEAERN CC(C)(C)NC(=O)CCn1cnc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000064888852 570578752 /nfs/dbraw/zinc/57/87/52/570578752.db2.gz RRPZSJXSCDTITN-UHFFFAOYSA-N 0 0 378.498 2.126 10 0 GEAERN COCCNC(=O)[C@@H]1Cc2ccccc2N2CCN(c3cccc(OC)c3)C[C@@H]12 ZINC000169680056 570600290 /nfs/dbraw/zinc/60/02/90/570600290.db2.gz ZBSAXYAYSYKTKH-IRLDBZIGSA-N 0 0 395.503 2.325 10 0 GEAERN Cc1ccc(NC(=O)c2ccccc2)c(NC(=O)C2CCN(CC(N)=O)CC2)c1 ZINC000055107483 570683030 /nfs/dbraw/zinc/68/30/30/570683030.db2.gz HBVXXWFEGOGZEG-UHFFFAOYSA-N 0 0 394.475 2.383 10 0 GEAERN O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1F)N1CCc2ccccc2C1 ZINC000055199588 570687024 /nfs/dbraw/zinc/68/70/24/570687024.db2.gz JYHJIYDZINIDNS-FQEVSTJZSA-N 0 0 381.451 2.101 10 0 GEAERN Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc(Cl)c4ncccc34)CCO2)cn1 ZINC000583623881 570801798 /nfs/dbraw/zinc/80/17/98/570801798.db2.gz FMWRBHYWDXUJNO-HNNXBMFYSA-N 0 0 392.868 2.384 10 0 GEAERN COc1ccc(CN2C(=O)CN(Cc3ncccn3)C2=O)c(C(F)(F)F)c1 ZINC000170613947 570871228 /nfs/dbraw/zinc/87/12/28/570871228.db2.gz HFKHZJTUPCJHOA-UHFFFAOYSA-N 0 0 380.326 2.468 10 0 GEAERN Cn1cc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NCc1cccnc1 ZINC000006781593 570905924 /nfs/dbraw/zinc/90/59/24/570905924.db2.gz RSSWXPRRYKWVDT-UHFFFAOYSA-N 0 0 396.472 2.102 10 0 GEAERN C[C@H](NS(=O)(=O)c1cc(F)cc(F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000010518029 642360836 /nfs/dbraw/zinc/36/08/36/642360836.db2.gz VHFHCJHZKIZRQV-JTQLQIEISA-N 0 0 375.418 2.408 10 0 GEAERN C[C@H](NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)c1ccccc1Br ZINC000025742598 642427376 /nfs/dbraw/zinc/42/73/76/642427376.db2.gz QOKIRIISHBGFHU-FZMZJTMJSA-N 0 0 389.315 2.440 10 0 GEAERN CCN1CCC[C@@H](NS(=O)(=O)c2ccc(I)cc2)C1 ZINC000048841477 642662812 /nfs/dbraw/zinc/66/28/12/642662812.db2.gz SHCNVCMXMCNGFV-GFCCVEGCSA-N 0 0 394.278 2.054 10 0 GEAERN CN(C)C(=O)[C@H]1CCCN1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000052311755 642715972 /nfs/dbraw/zinc/71/59/72/642715972.db2.gz YTNUTEMCYMYSHK-CYBMUJFWSA-N 0 0 388.331 2.022 10 0 GEAERN CNS(=O)(=O)c1ccc([C@@H](C)NS(=O)(=O)/C=C\c2ccccc2)cc1 ZINC000053670718 642734782 /nfs/dbraw/zinc/73/47/82/642734782.db2.gz UDNKWAWGCWGJGF-WUFNSSIPSA-N 0 0 380.491 2.246 10 0 GEAERN Cc1cc(NC(=O)CN(C)C[C@H](O)COc2cccc(Br)c2)no1 ZINC000053944338 642744917 /nfs/dbraw/zinc/74/49/17/642744917.db2.gz XUGOHFBGWKWQQX-ZDUSSCGKSA-N 0 0 398.257 2.056 10 0 GEAERN NS(=O)(=O)c1ccc2c(c1)CCCN2S(=O)(=O)/C=C\c1ccccc1 ZINC000054189246 642747888 /nfs/dbraw/zinc/74/78/88/642747888.db2.gz FGKFOMTXUKPQKC-BENRWUELSA-N 0 0 378.475 2.087 10 0 GEAERN CCC(N[C@@H](C)c1ccccc1Br)=C1C(=O)NC(=S)NC1=O ZINC000054504143 642754549 /nfs/dbraw/zinc/75/45/49/642754549.db2.gz HVTZXBKYNGOXBS-QMMMGPOBSA-N 0 0 382.283 2.295 10 0 GEAERN CN(CC(=O)N[C@@H]1COc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1 ZINC000058728345 642828398 /nfs/dbraw/zinc/82/83/98/642828398.db2.gz FOYJEHHUMWUFHF-OAHLLOKOSA-N 0 0 380.853 2.210 10 0 GEAERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000066902153 642946458 /nfs/dbraw/zinc/94/64/58/642946458.db2.gz XHVJJHKGSJOHSW-CFRMROPGSA-N 0 0 387.299 2.302 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc(-c2ccccn2)cs1 ZINC000070709225 643051945 /nfs/dbraw/zinc/05/19/45/643051945.db2.gz ZULNNSNHHTWZHY-AWEZNQCLSA-N 0 0 380.495 2.348 10 0 GEAERN NC(=O)c1c(F)cc(Br)cc1NCCc1nnc2ccccn21 ZINC000092829789 643073820 /nfs/dbraw/zinc/07/38/20/643073820.db2.gz CEINXTQFYXTRKP-UHFFFAOYSA-N 0 0 378.205 2.384 10 0 GEAERN O=C(CSCc1ccc(Cl)cc1Cl)NC[C@@H](O)CN1CCOCC1 ZINC000097727741 643098770 /nfs/dbraw/zinc/09/87/70/643098770.db2.gz HPQHNMSHICRTBM-CQSZACIVSA-N 0 0 393.336 2.036 10 0 GEAERN Cc1nc(-c2ccc(CCNC(=O)NC[C@@H]3CN(C)CCO3)s2)cs1 ZINC000104799210 643194831 /nfs/dbraw/zinc/19/48/31/643194831.db2.gz CBHOUTJQBVTFQI-CYBMUJFWSA-N 0 0 380.539 2.352 10 0 GEAERN O=C(CN1CCC[C@H](Cn2cncn2)C1)Nc1ccccc1Br ZINC000106174155 643225050 /nfs/dbraw/zinc/22/50/50/643225050.db2.gz NLTQCYQDLGZAKO-ZDUSSCGKSA-N 0 0 378.274 2.391 10 0 GEAERN COc1ccc(Br)c(C(=O)NCCCNC(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000109360003 643294164 /nfs/dbraw/zinc/29/41/64/643294164.db2.gz WRMAAQBGCVVWPQ-IINYFYTJSA-N 0 0 384.274 2.285 10 0 GEAERN CCc1c(NC(=O)[C@@H](C)NC(N)=O)n[nH]c1-c1ccc(Br)cc1 ZINC000111148378 643328075 /nfs/dbraw/zinc/32/80/75/643328075.db2.gz FNGIODWBMAZGAR-MRVPVSSYSA-N 0 0 380.246 2.397 10 0 GEAERN Cc1noc([C@H](C)N2CCN(S(=O)(=O)c3cc(F)ccc3Cl)CC2)n1 ZINC000111344579 643335380 /nfs/dbraw/zinc/33/53/80/643335380.db2.gz MJJKFEJRSOKVGI-JTQLQIEISA-N 0 0 388.852 2.238 10 0 GEAERN CN(C)C(=O)[C@H]1CCCN1Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000111683100 643345388 /nfs/dbraw/zinc/34/53/88/643345388.db2.gz SERCPBBTFJTMPY-CQSZACIVSA-N 0 0 393.285 2.476 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)[C@H](C)Oc2ccccc2Br)CC1 ZINC000112294497 643358129 /nfs/dbraw/zinc/35/81/29/643358129.db2.gz VMSABCBMOYSMIO-KBPBESRZSA-N 0 0 385.302 2.132 10 0 GEAERN Cc1cc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)ccc1Br ZINC000116588222 643465584 /nfs/dbraw/zinc/46/55/84/643465584.db2.gz LYOXEYYACDYAAM-LBPRGKRZSA-N 0 0 391.269 2.446 10 0 GEAERN Cc1nc(C)n(C[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)nc3)C2)n1 ZINC000116899883 643475702 /nfs/dbraw/zinc/47/57/02/643475702.db2.gz MZZQUDVXRHPXKO-HNNXBMFYSA-N 0 0 383.905 2.185 10 0 GEAERN CCOCCN1CCN(C(=O)c2cc(Br)cnc2N(C)C)C[C@@H]1C ZINC000117277881 643485795 /nfs/dbraw/zinc/48/57/95/643485795.db2.gz FFDBWPHODBOUOH-ZDUSSCGKSA-N 0 0 399.333 2.093 10 0 GEAERN CC[C@@H]1CN(C(=O)c2cc(Br)cnc2N(C)C)CCN1CCOC ZINC000117302669 643486402 /nfs/dbraw/zinc/48/64/02/643486402.db2.gz BJDCPTQHSNXZTN-CQSZACIVSA-N 0 0 399.333 2.093 10 0 GEAERN COCCN1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C[C@@H]1C ZINC000117369561 643489377 /nfs/dbraw/zinc/48/93/77/643489377.db2.gz FFQOYSZFRVBZGW-NSHDSACASA-N 0 0 384.395 2.186 10 0 GEAERN COCCN1CCN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C[C@H]1C ZINC000117369319 643489420 /nfs/dbraw/zinc/48/94/20/643489420.db2.gz HKZXYEBJWBGWQT-LLVKDONJSA-N 0 0 384.395 2.186 10 0 GEAERN COCCN1CCN(C(=O)NCc2cc(Br)cs2)C[C@@H]1C ZINC000117480990 643491843 /nfs/dbraw/zinc/49/18/43/643491843.db2.gz QGXDEYQLQDRYIH-NSHDSACASA-N 0 0 376.320 2.373 10 0 GEAERN Cc1cnn(CCNC(=O)NCC(=O)Nc2cc(Br)ccc2C)c1 ZINC000118068312 643504269 /nfs/dbraw/zinc/50/42/69/643504269.db2.gz LQQWBTLQFLQZIZ-UHFFFAOYSA-N 0 0 394.273 2.200 10 0 GEAERN CN1CCO[C@H](CNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000118115412 643505450 /nfs/dbraw/zinc/50/54/50/643505450.db2.gz LTHQNFIOPRNWCH-MRVPVSSYSA-N 0 0 380.659 2.032 10 0 GEAERN O=C(NCC[S@@](=O)Cc1ccccc1)N1CCO[C@@H](c2nccs2)C1 ZINC000120430566 643606714 /nfs/dbraw/zinc/60/67/14/643606714.db2.gz FCMUYRRFKYDSSB-BZQUYTCOSA-N 0 0 379.507 2.175 10 0 GEAERN C[C@@H](O)CN1CCN(C(=O)CSc2cccc(Br)c2)C[C@H]1C ZINC000125168565 643701858 /nfs/dbraw/zinc/70/18/58/643701858.db2.gz BJZNJWYTCUSPCI-CHWSQXEVSA-N 0 0 387.343 2.455 10 0 GEAERN C[C@@H](O)CN1CCN(C(=O)CSc2cccc(Br)c2)C[C@@H]1C ZINC000125168771 643701906 /nfs/dbraw/zinc/70/19/06/643701906.db2.gz BJZNJWYTCUSPCI-QWHCGFSZSA-N 0 0 387.343 2.455 10 0 GEAERN CC(C)c1cnc(NC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)s1 ZINC000126160790 643723821 /nfs/dbraw/zinc/72/38/21/643723821.db2.gz UQIWLEYEPSLMMH-JTQLQIEISA-N 0 0 378.479 2.332 10 0 GEAERN CCOCCN1CCN(C(=O)c2cc(Br)c(C)[nH]c2=O)C[C@@H]1C ZINC000127322544 643770839 /nfs/dbraw/zinc/77/08/39/643770839.db2.gz GFXLATCZWWZRRO-NSHDSACASA-N 0 0 386.290 2.041 10 0 GEAERN CCc1noc([C@H](C)N2CCN(C(=O)CSCc3cscn3)CC2)n1 ZINC000130420479 643838891 /nfs/dbraw/zinc/83/88/91/643838891.db2.gz YAXYFIQOPNAYAX-LBPRGKRZSA-N 0 0 381.527 2.227 10 0 GEAERN C[C@H](OC(=O)c1cn(CC(=O)N(C)C)nn1)c1ccc(Br)cc1F ZINC000131093663 643863534 /nfs/dbraw/zinc/86/35/34/643863534.db2.gz LSWQZIBXCRTCAQ-VIFPVBQESA-N 0 0 399.220 2.186 10 0 GEAERN C[C@H](OC(=O)CN1CCCS1(=O)=O)c1ccc(Br)cc1F ZINC000131163503 643866973 /nfs/dbraw/zinc/86/69/73/643866973.db2.gz OMLHYYIMZLZURV-VIFPVBQESA-N 0 0 380.235 2.228 10 0 GEAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)COc1ccccc1Br ZINC000134881022 643908002 /nfs/dbraw/zinc/90/80/02/643908002.db2.gz OUMMSDQENJOIPU-LBPRGKRZSA-N 0 0 395.257 2.217 10 0 GEAERN O=C(N[C@@H]1CCCC[C@H]1CO)c1ccc2ncc(I)n2c1 ZINC000151151634 643931751 /nfs/dbraw/zinc/93/17/51/643931751.db2.gz QPYFBARJGMWHLE-NWDGAFQWSA-N 0 0 399.232 2.220 10 0 GEAERN C[C@H]1CC[C@@H](C(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)O1 ZINC000151383862 643941351 /nfs/dbraw/zinc/94/13/51/643941351.db2.gz ZGFVQLDNRKJHHV-RYUDHWBXSA-N 0 0 392.930 2.192 10 0 GEAERN S=c1sc(N2CCOCC2)nn1CN1CCC(Cn2cccn2)CC1 ZINC000152755423 643973317 /nfs/dbraw/zinc/97/33/17/643973317.db2.gz AZULTWPXFQGHGC-UHFFFAOYSA-N 0 0 380.543 2.077 10 0 GEAERN C[C@@H](NC(=O)c1ccnc2c(C(N)=O)cnn21)c1cccc(Br)c1 ZINC000154135046 644020173 /nfs/dbraw/zinc/02/01/73/644020173.db2.gz IHNBTDWFPKPJGE-SECBINFHSA-N 0 0 388.225 2.082 10 0 GEAERN O=C(NC1CCOCC1)c1ccc(NCCc2ccc(Br)o2)nn1 ZINC000154339129 644036442 /nfs/dbraw/zinc/03/64/42/644036442.db2.gz YMTXMXDDHOHJBH-UHFFFAOYSA-N 0 0 395.257 2.396 10 0 GEAERN C[C@H](NC(=O)NC[C@H]1CCCS1(=O)=O)c1ccccc1Br ZINC000156550332 644102760 /nfs/dbraw/zinc/10/27/60/644102760.db2.gz PZTMSHJPAPJLHO-WDEREUQCSA-N 0 0 375.288 2.387 10 0 GEAERN CNC(=O)[C@@H]1CCCN1C(=O)NCC1(c2ccccc2Br)CC1 ZINC000158964488 644169958 /nfs/dbraw/zinc/16/99/58/644169958.db2.gz QNTSVMHYXINJLC-AWEZNQCLSA-N 0 0 380.286 2.401 10 0 GEAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(I)cc1Cl ZINC000170823484 644289379 /nfs/dbraw/zinc/28/93/79/644289379.db2.gz QMDYESWNFYUNBI-LDWIPMOCSA-N 0 0 378.597 2.408 10 0 GEAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000170822038 644289544 /nfs/dbraw/zinc/28/95/44/644289544.db2.gz PTQNFTRHFUHOJI-CDUCUWFYSA-N 0 0 380.132 2.033 10 0 GEAERN C[C@H]1C[C@@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000171068769 644305780 /nfs/dbraw/zinc/30/57/80/644305780.db2.gz YYTFMASOBGPLQW-ZANVPECISA-N 0 0 393.292 2.153 10 0 GEAERN CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)c2c(Cl)nc3ccccn32)C1 ZINC000171111084 644310905 /nfs/dbraw/zinc/31/09/05/644310905.db2.gz VNTWIBHCNAJEFF-GFCCVEGCSA-N 0 0 384.889 2.057 10 0 GEAERN Cc1nc(C[C@H]2CCCN(S(=O)(=O)c3ccc(F)c(F)c3F)C2)no1 ZINC000171430340 644321976 /nfs/dbraw/zinc/32/19/76/644321976.db2.gz WDZBIDPLASERDK-SNVBAGLBSA-N 0 0 375.372 2.439 10 0 GEAERN Cn1cc([C@@H]2CCCN2S(=O)(=O)c2cc3c(cc2Cl)OCCO3)cn1 ZINC000171432134 644321987 /nfs/dbraw/zinc/32/19/87/644321987.db2.gz JNTZZQWYCZUDBL-ZDUSSCGKSA-N 0 0 383.857 2.371 10 0 GEAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)NC2CCSCC2)CC1 ZINC000172131232 644337293 /nfs/dbraw/zinc/33/72/93/644337293.db2.gz NLRGKZYBPXEEBN-UHFFFAOYSA-N 0 0 385.965 2.359 10 0 GEAERN COC(=O)c1sc(N[C@H]2CCCN(c3cc(C)nn3C)C2=O)nc1Cl ZINC000172810249 644345671 /nfs/dbraw/zinc/34/56/71/644345671.db2.gz MGNZOIREYDBLJH-VIFPVBQESA-N 0 0 383.861 2.233 10 0 GEAERN C[C@H](COCc1ccccc1)NC(=O)c1cc(S(N)(=O)=O)ccc1Cl ZINC000174587444 644377328 /nfs/dbraw/zinc/37/73/28/644377328.db2.gz VELDKVXRTZHIHG-GFCCVEGCSA-N 0 0 382.869 2.323 10 0 GEAERN C[C@H](OC(=O)Cn1cnc2ccc(Br)cc2c1=O)[C@@H]1CCOC1 ZINC000175263460 644387585 /nfs/dbraw/zinc/38/75/85/644387585.db2.gz NEORBIRMJIRMHU-WDEREUQCSA-N 0 0 381.226 2.127 10 0 GEAERN O=C(NC[C@@H]1CCCC[C@@H]1O)c1cccn2c(I)cnc12 ZINC000177226252 644412302 /nfs/dbraw/zinc/41/23/02/644412302.db2.gz WAFYWUIYWQWVCD-JQWIXIFHSA-N 0 0 399.232 2.220 10 0 GEAERN O=C(Nc1cc(F)c(Br)c(F)c1)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000180114069 644488874 /nfs/dbraw/zinc/48/88/74/644488874.db2.gz ZNIAMBNXIBXWJE-UFBFGSQYSA-N 0 0 391.212 2.333 10 0 GEAERN CC(C)CS(=O)(=O)CCC(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000180119948 644489716 /nfs/dbraw/zinc/48/97/16/644489716.db2.gz RWOYFWUBWAJOLF-CZUORRHYSA-N 0 0 375.437 2.060 10 0 GEAERN CCCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1C[C@@H]1C ZINC000180196476 644494138 /nfs/dbraw/zinc/49/41/38/644494138.db2.gz MWDDKMDZWVNKHS-TVQRCGJNSA-N 0 0 383.242 2.479 10 0 GEAERN CC(=O)c1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2O)ccc1Br ZINC000180321746 644499981 /nfs/dbraw/zinc/49/99/81/644499981.db2.gz JALJQHNNJPWYEA-UONOGXRCSA-N 0 0 376.272 2.234 10 0 GEAERN CCS(=O)(=O)c1ccc(Br)c(C(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000181130974 644524844 /nfs/dbraw/zinc/52/48/44/644524844.db2.gz ODPMHHSUBMZGRU-QWRGUYRKSA-N 0 0 390.299 2.492 10 0 GEAERN C#C[C@@H](C)OC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000183632513 645000814 /nfs/dbraw/zinc/00/08/14/645000814.db2.gz XYTPENUTWKOZKN-CJNGLKHVSA-N 0 0 375.471 2.429 10 0 GEAERN Cc1cc(S(=O)(=O)N2CC(NC(=O)C3CCC3)C2)ccc1Br ZINC000186186044 645062986 /nfs/dbraw/zinc/06/29/86/645062986.db2.gz PRKDMFPBBFXGSJ-UHFFFAOYSA-N 0 0 387.299 2.047 10 0 GEAERN Cc1cccc(S(=O)(=O)N2CC(NC(=O)C3CCC3)C2)c1Br ZINC000186188449 645063631 /nfs/dbraw/zinc/06/36/31/645063631.db2.gz TYHPUBXADIQVQY-UHFFFAOYSA-N 0 0 387.299 2.047 10 0 GEAERN CS(=O)(=O)c1ccc(NC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000187187070 645084752 /nfs/dbraw/zinc/08/47/52/645084752.db2.gz QRUFWKTWMIXIAI-BBRMVZONSA-N 0 0 380.491 2.391 10 0 GEAERN CCOc1ccnc(N2CCN(C(=O)c3nc(Br)cs3)CC2)n1 ZINC000187491341 645092196 /nfs/dbraw/zinc/09/21/96/645092196.db2.gz DRNXGAVAOGLSIV-UHFFFAOYSA-N 0 0 398.286 2.057 10 0 GEAERN COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cc(C)c(Cl)s1 ZINC000188106306 645107987 /nfs/dbraw/zinc/10/79/87/645107987.db2.gz JSNHMMRUFUYTKM-SECBINFHSA-N 0 0 376.891 2.261 10 0 GEAERN O=C(Nc1nc2c(s1)COCC2)C(=O)N1CCCC[C@H]1c1nccs1 ZINC000188113046 645108932 /nfs/dbraw/zinc/10/89/32/645108932.db2.gz JXIRLBBGUXDARE-NSHDSACASA-N 0 0 378.479 2.365 10 0 GEAERN Cc1nc([C@@H]2CCCN2C(=O)NCc2cccc(S(N)(=O)=O)c2)cs1 ZINC000190299880 645150357 /nfs/dbraw/zinc/15/03/57/645150357.db2.gz SQOOGVWBNYTBML-HNNXBMFYSA-N 0 0 380.495 2.146 10 0 GEAERN O=C(OCc1ccc(I)c(Cl)c1)[C@@H]1CNC(=O)C1 ZINC000190464137 645157407 /nfs/dbraw/zinc/15/74/07/645157407.db2.gz PDTIPOFHJAOTES-QMMMGPOBSA-N 0 0 379.581 2.124 10 0 GEAERN C[C@@H]1C(=O)NCCCN1C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000191756969 645181411 /nfs/dbraw/zinc/18/14/11/645181411.db2.gz RJDJZXZHCORICK-SNVBAGLBSA-N 0 0 380.857 2.219 10 0 GEAERN Cc1nc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)ccc1Br ZINC000193576658 645285943 /nfs/dbraw/zinc/28/59/43/645285943.db2.gz RALJXIQFALNJDP-SJKOYZFVSA-N 0 0 396.285 2.245 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC000193584666 645287124 /nfs/dbraw/zinc/28/71/24/645287124.db2.gz DBYUIKPTBIUZGO-GXTWGEPZSA-N 0 0 377.242 2.304 10 0 GEAERN CC(C)Cc1ccc([C@@H](C)NS(=O)(=O)CCCS(=O)(=O)N(C)C)cc1 ZINC000193794018 645299581 /nfs/dbraw/zinc/29/95/81/645299581.db2.gz XJTBUZYLYMEXPW-OAHLLOKOSA-N 0 0 390.571 2.147 10 0 GEAERN O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000194336774 645322801 /nfs/dbraw/zinc/32/28/01/645322801.db2.gz IMXFCKGQIPDHSC-MLGOLLRUSA-N 0 0 391.269 2.283 10 0 GEAERN CCN(Cc1cccs1)C(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000194415298 645327270 /nfs/dbraw/zinc/32/72/70/645327270.db2.gz HLWLICHVVBWNPO-GFCCVEGCSA-N 0 0 377.491 2.224 10 0 GEAERN CN1CCO[C@@H](CNC(=O)COc2ccc3cc(Br)ccc3c2)C1 ZINC000194751120 645347249 /nfs/dbraw/zinc/34/72/49/645347249.db2.gz CPKRRGQGVJSOGC-KRWDZBQOSA-N 0 0 393.281 2.428 10 0 GEAERN O=C(NCc1ccc2c(c1)OCO2)c1nn2c(c1Br)OCCC2 ZINC000223794329 645387826 /nfs/dbraw/zinc/38/78/26/645387826.db2.gz QJMRJHAHHQMDJV-UHFFFAOYSA-N 0 0 380.198 2.087 10 0 GEAERN COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2F)C[C@@H]1C ZINC000226080086 645389987 /nfs/dbraw/zinc/38/99/87/645389987.db2.gz KXVMCQAUSBSEJP-WCBMZHEXSA-N 0 0 380.235 2.018 10 0 GEAERN COC(=O)[C@H]1CN(C(=O)c2ccc(F)cc2I)C[C@H]1C ZINC000228302811 645395714 /nfs/dbraw/zinc/39/57/14/645395714.db2.gz BLJLORQVCYHKRF-KCJUWKMLSA-N 0 0 391.180 2.311 10 0 GEAERN O=C(c1ccc(I)c(O)c1)N1CCN2CCCC[C@@H]2C1 ZINC000230890885 645401308 /nfs/dbraw/zinc/40/13/08/645401308.db2.gz HWKGOUVMLQLYGJ-GFCCVEGCSA-N 0 0 386.233 2.307 10 0 GEAERN O=C(N[C@H]1CCCC[C@@H]1CO)c1ccc(I)c(O)c1 ZINC000230903246 645402158 /nfs/dbraw/zinc/40/21/58/645402158.db2.gz JSUFYFGVEHJFGM-PWSUYJOCSA-N 0 0 375.206 2.278 10 0 GEAERN O=C(N[C@H]1CCCC[C@@H]1CO)c1cc(I)ccc1O ZINC000236496413 645410998 /nfs/dbraw/zinc/41/09/98/645410998.db2.gz ZTYWJWOUSVMFNH-SKDRFNHKSA-N 0 0 375.206 2.278 10 0 GEAERN COCCO[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000245808853 645469424 /nfs/dbraw/zinc/46/94/24/645469424.db2.gz BWQRQDSNBTUPML-NVXWUHKLSA-N 0 0 388.302 2.316 10 0 GEAERN C[C@H](O)CN1CCN(C(=O)CSc2cccc(Br)c2)C[C@H]1C ZINC000245841231 645470459 /nfs/dbraw/zinc/47/04/59/645470459.db2.gz BJZNJWYTCUSPCI-OLZOCXBDSA-N 0 0 387.343 2.455 10 0 GEAERN CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000246096470 645474805 /nfs/dbraw/zinc/47/48/05/645474805.db2.gz HCQFWCLKYKBJCR-GFCCVEGCSA-N 0 0 387.868 2.084 10 0 GEAERN COCCN1CCN(S(=O)(=O)c2ccc(C)cc2Br)C[C@@H]1C ZINC000247046882 645502270 /nfs/dbraw/zinc/50/22/70/645502270.db2.gz JGMJXRIXTPRNCQ-ZDUSSCGKSA-N 0 0 391.331 2.099 10 0 GEAERN C[C@H]1CN([C@H](CNC(=O)c2ccc(C(N)=O)s2)c2cccs2)CCO1 ZINC000247065810 645503218 /nfs/dbraw/zinc/50/32/18/645503218.db2.gz UQKJXISPCOFSSO-NWDGAFQWSA-N 0 0 379.507 2.100 10 0 GEAERN Cc1nnc([C@H]2CN(C[C@@H](O)COc3c(Cl)cccc3Cl)CCO2)[nH]1 ZINC000247537175 645512369 /nfs/dbraw/zinc/51/23/69/645512369.db2.gz OVTSARSUKDUHFD-BXUZGUMPSA-N 0 0 387.267 2.233 10 0 GEAERN C[C@H](CS(C)(=O)=O)N(C[C@@H](O)COCc1ccc(Cl)cc1)C1CC1 ZINC000247531733 645512690 /nfs/dbraw/zinc/51/26/90/645512690.db2.gz XOZOZFWSGMJCJG-CXAGYDPISA-N 0 0 375.918 2.115 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000247815869 645519692 /nfs/dbraw/zinc/51/96/92/645519692.db2.gz WFBHIAGMWGMFKE-YESZJQIVSA-N 0 0 381.314 2.468 10 0 GEAERN CCn1cc([C@@H]2CN([C@@H](C(N)=O)c3cccc(Br)c3)CCO2)cn1 ZINC000248829812 645540488 /nfs/dbraw/zinc/54/04/88/645540488.db2.gz YIPQWSAJPGRDMI-JKSUJKDBSA-N 0 0 393.285 2.265 10 0 GEAERN C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)[C@@H]1CCCO[C@H]1C ZINC000249040157 645544871 /nfs/dbraw/zinc/54/48/71/645544871.db2.gz ZASUQGAUBVAHEK-COPLHBTASA-N 0 0 385.258 2.179 10 0 GEAERN CC(=O)N[C@H]1CCCN([C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 ZINC000249702038 645558194 /nfs/dbraw/zinc/55/81/94/645558194.db2.gz IXIQDHWQDDTLHD-FZMZJTMJSA-N 0 0 384.263 2.226 10 0 GEAERN C[NH2+][C@H](C)C[N-]S(=O)(=O)c1scc(Br)c1Br ZINC000261787806 645600222 /nfs/dbraw/zinc/60/02/22/645600222.db2.gz QORFCALEDDMVEK-RXMQYKEDSA-N 0 0 392.138 2.159 10 0 GEAERN COC(=O)c1cc(Cl)cc(Cl)c1N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262105602 645616955 /nfs/dbraw/zinc/61/69/55/645616955.db2.gz JQEHOFHUYFFCIS-NSHDSACASA-N 0 0 391.251 2.002 10 0 GEAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000262928293 645648188 /nfs/dbraw/zinc/64/81/88/645648188.db2.gz GAMVTOTZGVNYSK-LBPRGKRZSA-N 0 0 378.853 2.039 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NCc2cccc(C)c2Br)C1 ZINC000263357582 645662418 /nfs/dbraw/zinc/66/24/18/645662418.db2.gz JLJFRIBLXCPDCJ-UHFFFAOYSA-N 0 0 398.301 2.494 10 0 GEAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1cc(Cl)ccc1I ZINC000282172493 646818025 /nfs/dbraw/zinc/81/80/25/646818025.db2.gz QWFXRPOVBQFKAX-CPCISQLKSA-N 0 0 392.624 2.342 10 0 GEAERN COC(=O)CCCNC(=O)c1cnc(Br)c(Br)c1 ZINC000311896179 647282004 /nfs/dbraw/zinc/28/20/04/647282004.db2.gz ZLRSZTKPPLWMBP-UHFFFAOYSA-N 0 0 380.036 2.290 10 0 GEAERN O=S(=O)(NC[C@H]1CCn2ccnc2C1)c1cc(F)ccc1Br ZINC000328631655 647311488 /nfs/dbraw/zinc/31/14/88/647311488.db2.gz RFFKSMLVNPNIFA-JTQLQIEISA-N 0 0 388.262 2.326 10 0 GEAERN O=C(c1ccc(I)c(O)c1)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000398670903 647900293 /nfs/dbraw/zinc/90/02/93/647900293.db2.gz DVUOWHBGOJWJNV-TUAOUCFPSA-N 0 0 387.217 2.230 10 0 GEAERN Cc1cc(I)ccc1NC(=O)CN1C[C@H](O)C[C@H](C)C1 ZINC000401969761 647904917 /nfs/dbraw/zinc/90/49/17/647904917.db2.gz YGHIVRVKESSWDI-GXFFZTMASA-N 0 0 388.249 2.241 10 0 GEAERN NC(=O)C1CC(NC(=O)c2cc(Br)ccc2Br)C1 ZINC000716783645 651474428 /nfs/dbraw/zinc/47/44/28/651474428.db2.gz XIWUPIIKQVDFHK-UHFFFAOYSA-N 0 0 376.048 2.205 10 0 GEAERN C[C@H](NS(=O)(=O)c1ccc(Cl)c(Br)c1)c1cn(C)nn1 ZINC000720524122 651476515 /nfs/dbraw/zinc/47/65/15/651476515.db2.gz OKUSNEBXMPBGHV-ZETCQYMHSA-N 0 0 379.667 2.271 10 0 GEAERN CN1C[C@@H](CNC(=O)c2ccc(I)c(Cl)c2)CC1=O ZINC000598264023 652808919 /nfs/dbraw/zinc/80/89/19/652808919.db2.gz VJHXYUXIBXWWPV-MRVPVSSYSA-N 0 0 392.624 2.153 10 0 GEAERN O=C(CN1CSCCSC1)NCc1nnc2n1CCC[C@H]2C(F)(F)F ZINC000901243056 654116722 /nfs/dbraw/zinc/11/67/22/654116722.db2.gz WUSALDBPDLQWLM-SNVBAGLBSA-N 0 0 395.476 2.031 10 0 GEAERN C[C@H](O)CN1CCN(C(=O)Nc2c(Cl)n(C)nc2C(F)(F)F)C[C@@H]1C ZINC000889196304 654129232 /nfs/dbraw/zinc/12/92/32/654129232.db2.gz LJYDZIWYSTWBHI-IUCAKERBSA-N 0 0 383.802 2.011 10 0 GEAERN O=C(Nc1cn2cc(Br)ncc2n1)C1C[C@H]2CSC[C@@H](C1)C2=O ZINC000907451378 654544449 /nfs/dbraw/zinc/54/44/49/654544449.db2.gz RHSYBGBHYCGJPA-PBINXNQUSA-N 0 0 395.282 2.389 10 0 GEAERN CS(=O)(=O)CCN(C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F)C1CC1 ZINC000151646347 531512893 /nfs/dbraw/zinc/51/28/93/531512893.db2.gz OERSBXLWNYXQDN-AWEZNQCLSA-N 0 0 378.416 2.379 10 0 GEAERN O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000151541802 531508909 /nfs/dbraw/zinc/50/89/09/531508909.db2.gz LVCJPWCVJVIJCP-HNNXBMFYSA-N 0 0 379.309 2.230 10 0 GEAERN CC(=O)N[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000152238534 531538115 /nfs/dbraw/zinc/53/81/15/531538115.db2.gz DTZZFLZMRCBSDL-LBPRGKRZSA-N 0 0 392.253 2.031 10 0 GEAERN COc1ccc(Br)cc1CC(=O)N1CCOC[C@H]1c1nc(C)no1 ZINC000152806546 531571314 /nfs/dbraw/zinc/57/13/14/531571314.db2.gz VEBPHLFSENQFSH-ZDUSSCGKSA-N 0 0 396.241 2.292 10 0 GEAERN CC(C)[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000017056936 531573223 /nfs/dbraw/zinc/57/32/23/531573223.db2.gz NQRQTDXSTJZTDJ-LLVKDONJSA-N 0 0 382.404 2.414 10 0 GEAERN C[C@@H]1CN(C(=O)Cc2cc(Br)ccc2F)C[C@H]1N1CCOCC1 ZINC000153266196 531593811 /nfs/dbraw/zinc/59/38/11/531593811.db2.gz JFAIZMFLNAGANE-MLGOLLRUSA-N 0 0 385.277 2.310 10 0 GEAERN C[C@@H]1CN(C(=O)Cc2cc(F)ccc2Br)C[C@H]1N1CCOCC1 ZINC000153265348 531594718 /nfs/dbraw/zinc/59/47/18/531594718.db2.gz DVTMHLXEWBIIAE-MLGOLLRUSA-N 0 0 385.277 2.310 10 0 GEAERN C[C@@H]1CN(C(=O)Cc2cc(Br)ccc2F)C[C@@H]1N1CCOCC1 ZINC000153266016 531594804 /nfs/dbraw/zinc/59/48/04/531594804.db2.gz JFAIZMFLNAGANE-WBMJQRKESA-N 0 0 385.277 2.310 10 0 GEAERN Cc1ccc([C@@H](C)NC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)o1 ZINC000153450638 531601527 /nfs/dbraw/zinc/60/15/27/531601527.db2.gz DWBHMMSTTBDQAY-SNVBAGLBSA-N 0 0 383.392 2.262 10 0 GEAERN C[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1Br ZINC000025903686 531614642 /nfs/dbraw/zinc/61/46/42/531614642.db2.gz BPZKWCMXAFDNEZ-RYUDHWBXSA-N 0 0 389.315 2.298 10 0 GEAERN Cc1csc([C@H]2CCCN(C(=O)c3coc(S(=O)(=O)N(C)C)c3)C2)n1 ZINC000153983508 531617103 /nfs/dbraw/zinc/61/71/03/531617103.db2.gz XRNUWVYGYABWOD-LBPRGKRZSA-N 0 0 383.495 2.315 10 0 GEAERN C[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1cccc(Br)c1 ZINC000027734763 531626504 /nfs/dbraw/zinc/62/65/04/531626504.db2.gz NLCHTKRWYNDVTH-AAEUAGOBSA-N 0 0 389.315 2.298 10 0 GEAERN C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)[C@@H]1CCCO1 ZINC000027862426 531626958 /nfs/dbraw/zinc/62/69/58/531626958.db2.gz SYMQFEAGOJFTJL-WBMJQRKESA-N 0 0 386.901 2.422 10 0 GEAERN COCCOCCS(=O)(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000154781840 531633577 /nfs/dbraw/zinc/63/35/77/531633577.db2.gz DCWUDIAQEJQFPF-AWEZNQCLSA-N 0 0 376.544 2.439 10 0 GEAERN O=S(=O)(c1ccc(C(F)(F)F)cc1Cl)N1CC[C@H](N2CCOCC2)C1 ZINC000154925989 531643360 /nfs/dbraw/zinc/64/33/60/531643360.db2.gz RWLUOWXREULFSM-LBPRGKRZSA-N 0 0 398.834 2.454 10 0 GEAERN CCOc1cc(Br)ccc1NC(=O)C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000155303997 531673993 /nfs/dbraw/zinc/67/39/93/531673993.db2.gz DXPKEFREHHDKTP-QWRGUYRKSA-N 0 0 385.258 2.422 10 0 GEAERN Cc1cnn(C[C@@H]2CN(C(=O)c3ccc(Br)c(O)c3)CCO2)c1 ZINC000155914239 531705302 /nfs/dbraw/zinc/70/53/02/531705302.db2.gz KKPRVZDTFQYZIS-ZDUSSCGKSA-N 0 0 380.242 2.201 10 0 GEAERN Cn1cc(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc(Br)c1=O ZINC000156288149 531727305 /nfs/dbraw/zinc/72/73/05/531727305.db2.gz YEMJJFIEMJXDSE-BDJLRTHQSA-N 0 0 384.274 2.307 10 0 GEAERN CCOc1cc(Br)ccc1NC(=O)C(=O)NCCn1cc(C)cn1 ZINC000156122898 531717800 /nfs/dbraw/zinc/71/78/00/531717800.db2.gz FQOOHXISZVRLQY-UHFFFAOYSA-N 0 0 395.257 2.108 10 0 GEAERN CN1CCO[C@H](CNC(=O)NCCc2cc(Cl)ccc2Br)C1 ZINC000158107132 531766746 /nfs/dbraw/zinc/76/67/46/531766746.db2.gz YGDBUYJNBJXJJA-CYBMUJFWSA-N 0 0 390.709 2.275 10 0 GEAERN C[C@@H](NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)c1ccc(F)c(Cl)c1 ZINC000056942764 531815612 /nfs/dbraw/zinc/81/56/12/531815612.db2.gz AJSIJSKEQTXXKQ-ZYHUDNBSSA-N 0 0 377.869 2.263 10 0 GEAERN C[C@@H](NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)c1ccc(F)c(Cl)c1 ZINC000056942762 531816079 /nfs/dbraw/zinc/81/60/79/531816079.db2.gz AJSIJSKEQTXXKQ-PWSUYJOCSA-N 0 0 377.869 2.263 10 0 GEAERN C[C@@H](NC(=O)C(=O)Nc1ccccc1Br)c1nnc2n1CCCC2 ZINC000165611008 531872103 /nfs/dbraw/zinc/87/21/03/531872103.db2.gz BKFMOMXYAJVLNZ-SNVBAGLBSA-N 0 0 392.257 2.193 10 0 GEAERN C[C@H](NC(=O)C(=O)Nc1cccc(Br)c1)c1nnc2n1CCCC2 ZINC000165563250 531873449 /nfs/dbraw/zinc/87/34/49/531873449.db2.gz YCRKGFPYYPGOIH-JTQLQIEISA-N 0 0 392.257 2.193 10 0 GEAERN O=C(CS[C@H]1CCS(=O)(=O)C1)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000168944309 531881468 /nfs/dbraw/zinc/88/14/68/531881468.db2.gz MHBWFEBWGRDDBN-STQMWFEESA-N 0 0 381.441 2.197 10 0 GEAERN COC(=O)[C@H]1C[C@@H]1C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000170774189 531891804 /nfs/dbraw/zinc/89/18/04/531891804.db2.gz ALDRBHNIAFKTHX-BQBZGAKWSA-N 0 0 381.116 2.317 10 0 GEAERN COC(=O)[C@@H]1C[C@@H]1C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000170774831 531892270 /nfs/dbraw/zinc/89/22/70/531892270.db2.gz ABNHQDPCIOEYFH-VHSXEESVSA-N 0 0 378.169 2.476 10 0 GEAERN O=C(c1cc(I)ccc1O)N1CCC[C@H](n2cncn2)C1 ZINC000171822607 531918761 /nfs/dbraw/zinc/91/87/61/531918761.db2.gz BCVMBIBGEHGFRU-NSHDSACASA-N 0 0 398.204 2.066 10 0 GEAERN CCOc1ccc(Br)cc1S(=O)(=O)NC[C@H]1CCC[C@H]1O ZINC000091315720 531924357 /nfs/dbraw/zinc/92/43/57/531924357.db2.gz HAAGKWQNQVPGQJ-ZYHUDNBSSA-N 0 0 378.288 2.287 10 0 GEAERN CC(=O)N[C@H]1CCCN(C(=O)[C@H](C)Oc2ccc(F)cc2Br)C1 ZINC000071933658 531915785 /nfs/dbraw/zinc/91/57/85/531915785.db2.gz WZCAJFSMGGQTOI-GWCFXTLKSA-N 0 0 387.249 2.483 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)c1[nH]nc3ccc(Br)cc31)CC2 ZINC000172257003 531942435 /nfs/dbraw/zinc/94/24/35/531942435.db2.gz GJAXKJUXEUEJNM-SNVBAGLBSA-N 0 0 389.257 2.224 10 0 GEAERN COCCN1CCN(C(=O)NCCc2ccc(Br)s2)C[C@@H]1C ZINC000172323783 531945488 /nfs/dbraw/zinc/94/54/88/531945488.db2.gz MIXLNTMUDIDDBS-LBPRGKRZSA-N 0 0 390.347 2.415 10 0 GEAERN COCCN1CCN(C(=O)NCc2ccc(Br)s2)C[C@H]1C ZINC000172326719 531946560 /nfs/dbraw/zinc/94/65/60/531946560.db2.gz RJDPZJBPJPXIIB-LLVKDONJSA-N 0 0 376.320 2.373 10 0 GEAERN COCCN1CCN(C(=O)NCCc2ccc(Br)cc2)C[C@H]1C ZINC000172338696 531948546 /nfs/dbraw/zinc/94/85/46/531948546.db2.gz YYGDLBOPTOBIRE-CQSZACIVSA-N 0 0 384.318 2.354 10 0 GEAERN O=C(COc1ccc(Br)cc1Cl)N[C@H]1CCc2ncnn2C1 ZINC000112648219 531950239 /nfs/dbraw/zinc/95/02/39/531950239.db2.gz MPBLEKGAYWIQIW-JTQLQIEISA-N 0 0 385.649 2.204 10 0 GEAERN CCn1ccnc1Cn1cnc2ccc(I)cc2c1=O ZINC000113778390 531950668 /nfs/dbraw/zinc/95/06/68/531950668.db2.gz HJXINQLJDDOGKG-UHFFFAOYSA-N 0 0 380.189 2.266 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cccc(I)c1)CC2 ZINC000114869252 531957507 /nfs/dbraw/zinc/95/75/07/531957507.db2.gz ZYNLSCXAWUDEIA-LBPRGKRZSA-N 0 0 396.232 2.190 10 0 GEAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(Br)c(C)c1)CC2 ZINC000114874827 531957940 /nfs/dbraw/zinc/95/79/40/531957940.db2.gz XVFAXSFRIYEQJI-LLVKDONJSA-N 0 0 399.314 2.205 10 0 GEAERN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H](C)COCc1ccccc1 ZINC000172976547 531977591 /nfs/dbraw/zinc/97/75/91/531977591.db2.gz HQFODUXBGJQQNR-UONOGXRCSA-N 0 0 382.507 2.136 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)c3cc(Br)cnc3Cl)CCO2)[nH]1 ZINC000173088767 531986665 /nfs/dbraw/zinc/98/66/65/531986665.db2.gz OZOIWBWIPOSAJD-JTQLQIEISA-N 0 0 386.637 2.138 10 0 GEAERN C[C@H](CCNC(=O)c1c[nH]c(=O)c(Br)c1)NC(=O)OC(C)(C)C ZINC000173389932 532007994 /nfs/dbraw/zinc/00/79/94/532007994.db2.gz ZALDZUJVPPGUTH-SECBINFHSA-N 0 0 388.262 2.171 10 0 GEAERN C[C@@H](NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)c1ccc(Cl)s1 ZINC000173419241 532009566 /nfs/dbraw/zinc/00/95/66/532009566.db2.gz QDLHHNHTTBJPLD-SECBINFHSA-N 0 0 386.882 2.152 10 0 GEAERN CNc1cc(N2CCC[C@@H]2CNC(=O)Cc2sc(=S)[nH]c2C)ncn1 ZINC000173431171 532011106 /nfs/dbraw/zinc/01/11/06/532011106.db2.gz JBIRLMDCMRSPFS-LLVKDONJSA-N 0 0 378.527 2.274 10 0 GEAERN COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C)c2Br)C1 ZINC000121102947 532012836 /nfs/dbraw/zinc/01/28/36/532012836.db2.gz YTXLWKSOEQTHFW-LLVKDONJSA-N 0 0 383.242 2.108 10 0 GEAERN Cn1cc([C@H]2CCN(C(=O)COc3ccc(C=O)cc3Br)C2)cn1 ZINC000173513897 532017004 /nfs/dbraw/zinc/01/70/04/532017004.db2.gz FQKCYWXMJFRCBV-ZDUSSCGKSA-N 0 0 392.253 2.390 10 0 GEAERN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC[C@H]1CN(C)CCO1 ZINC000121325444 532023758 /nfs/dbraw/zinc/02/37/58/532023758.db2.gz QKQCMKPVEIXMKJ-HNNXBMFYSA-N 0 0 393.285 2.004 10 0 GEAERN Cc1nnc([C@H]2CN(CCC(=O)Nc3ccccc3Br)CCO2)[nH]1 ZINC000173717343 532027738 /nfs/dbraw/zinc/02/77/38/532027738.db2.gz YDUSZWBVAIBWAT-CQSZACIVSA-N 0 0 394.273 2.278 10 0 GEAERN Ic1ccc(CN2CCO[C@@H](Cn3cccn3)C2)cc1 ZINC000173695028 532028173 /nfs/dbraw/zinc/02/81/73/532028173.db2.gz JYLDUVGUMNBWQF-OAHLLOKOSA-N 0 0 383.233 2.389 10 0 GEAERN CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3nc(C)cs3)C2)cc1 ZINC000173719405 532029505 /nfs/dbraw/zinc/02/95/05/532029505.db2.gz FKGJRSZQMWRLBB-AWEZNQCLSA-N 0 0 379.507 2.379 10 0 GEAERN C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173788558 532033825 /nfs/dbraw/zinc/03/38/25/532033825.db2.gz UOSKOERVXOUQPN-PBHICJAKSA-N 0 0 396.329 2.496 10 0 GEAERN C[C@H]1CN(C(=O)c2cc(Br)cnc2Cl)C[C@H]1N1CCOCC1 ZINC000173819737 532035934 /nfs/dbraw/zinc/03/59/34/532035934.db2.gz MZYSHAXCYWDDQT-GXFFZTMASA-N 0 0 388.693 2.290 10 0 GEAERN Cc1nc(CN2CCCN(S(=O)(=O)c3ccc(Cl)cc3F)CC2)no1 ZINC000173826119 532036025 /nfs/dbraw/zinc/03/60/25/532036025.db2.gz ARCRWDDDTNEIAL-UHFFFAOYSA-N 0 0 388.852 2.067 10 0 GEAERN CC(C)c1n[nH]c(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1Br ZINC000173831142 532036039 /nfs/dbraw/zinc/03/60/39/532036039.db2.gz ZFUYMWXZGUAIBP-RYUDHWBXSA-N 0 0 385.306 2.088 10 0 GEAERN C[C@@H]1CN(C(=O)c2n[nH]c3ccc(Br)cc32)C[C@@H]1N1CCOCC1 ZINC000173889272 532041195 /nfs/dbraw/zinc/04/11/95/532041195.db2.gz QMZOHCIYXZYPMG-ABAIWWIYSA-N 0 0 393.285 2.118 10 0 GEAERN O=S(=O)(CCN1CC[C@@H](N2CCOCC2)C1)c1cc(Cl)ccc1Cl ZINC000173903975 532042864 /nfs/dbraw/zinc/04/28/64/532042864.db2.gz DDSHXOASFLQSDG-CQSZACIVSA-N 0 0 393.336 2.174 10 0 GEAERN Cc1nnc([C@@H]2CN(CCC(=O)Nc3ccc(Br)cc3)CCO2)[nH]1 ZINC000174099586 532048782 /nfs/dbraw/zinc/04/87/82/532048782.db2.gz ZEKXNEAUFXZMMK-AWEZNQCLSA-N 0 0 394.273 2.278 10 0 GEAERN CCN(CCCNC(=O)N1CCC[C@@H](c2nc(C)cs2)C1)S(C)(=O)=O ZINC000174186738 532055042 /nfs/dbraw/zinc/05/50/42/532055042.db2.gz RSAVDNYJLLSBRD-CQSZACIVSA-N 0 0 388.559 2.012 10 0 GEAERN CN1CCO[C@H](CNC(=O)c2ccc(Sc3ccccc3Cl)nn2)C1 ZINC000174391726 532062815 /nfs/dbraw/zinc/06/28/15/532062815.db2.gz YHQRHCDREFTOBW-GFCCVEGCSA-N 0 0 378.885 2.342 10 0 GEAERN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc(Cl)c2S(C)(=O)=O)o1 ZINC000174588512 532070456 /nfs/dbraw/zinc/07/04/56/532070456.db2.gz AHUXGCPLOZSKPD-JTQLQIEISA-N 0 0 384.841 2.461 10 0 GEAERN CC[C@@H]1CN(C(=O)c2cc(Br)cnc2Cl)CCN1C[C@@H](C)O ZINC000174616777 532072216 /nfs/dbraw/zinc/07/22/16/532072216.db2.gz ZCWLJXMYWWQIBA-ZYHUDNBSSA-N 0 0 390.709 2.415 10 0 GEAERN CCN(C(=O)N[C@H](Cc1ccccc1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000122553907 532074934 /nfs/dbraw/zinc/07/49/34/532074934.db2.gz FWYAAEACSZOGOK-UONOGXRCSA-N 0 0 378.416 2.379 10 0 GEAERN CC[C@H]1CN(S(=O)(=O)c2cc(C(C)=O)ccc2Cl)CCN1C[C@@H](C)O ZINC000122687749 532080331 /nfs/dbraw/zinc/08/03/31/532080331.db2.gz XPEXWLIGSQCEKC-DOMZBBRYSA-N 0 0 388.917 2.008 10 0 GEAERN CCc1nc(C2(NC(=O)Cn3cc(Br)ccc3=O)CCCC2)no1 ZINC000175129703 532090014 /nfs/dbraw/zinc/09/00/14/532090014.db2.gz JITSPUNMGMOUQL-UHFFFAOYSA-N 0 0 395.257 2.142 10 0 GEAERN CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC[C@H]1c1nccs1 ZINC000175378644 532101226 /nfs/dbraw/zinc/10/12/26/532101226.db2.gz RBGREKSTTBBJDV-LBPRGKRZSA-N 0 0 386.520 2.463 10 0 GEAERN O=C1NCCc2ccc(S(=O)(=O)N3CCCC[C@@H]3c3nccs3)cc21 ZINC000175387802 532101631 /nfs/dbraw/zinc/10/16/31/532101631.db2.gz RMPZAJMSDCLUQF-OAHLLOKOSA-N 0 0 377.491 2.345 10 0 GEAERN CCS(=O)(=O)c1cccc(CC(=O)N2CCO[C@H](c3nccs3)C2)c1 ZINC000123519407 532101850 /nfs/dbraw/zinc/10/18/50/532101850.db2.gz OORHMVGXJQNBCV-HNNXBMFYSA-N 0 0 380.491 2.079 10 0 GEAERN CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC[C@@H]1c1nccs1 ZINC000175378623 532102024 /nfs/dbraw/zinc/10/20/24/532102024.db2.gz RBGREKSTTBBJDV-GFCCVEGCSA-N 0 0 386.520 2.463 10 0 GEAERN CC(C)CC(=O)N[C@@H](C(=O)Nc1cc(Br)cn(C)c1=O)C(C)C ZINC000175556443 532108501 /nfs/dbraw/zinc/10/85/01/532108501.db2.gz VKFSJYNFIDDREJ-CQSZACIVSA-N 0 0 386.290 2.273 10 0 GEAERN Cn1nccc1C1CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)CC1 ZINC000124285644 532117734 /nfs/dbraw/zinc/11/77/34/532117734.db2.gz XVZATINTSZNFKJ-UHFFFAOYSA-N 0 0 389.449 2.498 10 0 GEAERN C[C@H]1CN(C(=O)NCc2ccc(Br)s2)C[C@@H]1N1CCOCC1 ZINC000175684168 532112105 /nfs/dbraw/zinc/11/21/05/532112105.db2.gz CRFVPXJDIQHVOS-AAEUAGOBSA-N 0 0 388.331 2.373 10 0 GEAERN C[C@H]1CN(C(=O)NCc2ccccc2Br)C[C@@H]1N1CCOCC1 ZINC000175728282 532112945 /nfs/dbraw/zinc/11/29/45/532112945.db2.gz VPGQGSCHHLDPSE-BBRMVZONSA-N 0 0 382.302 2.311 10 0 GEAERN C[C@@H](NC(=O)NC[C@@](C)(O)c1ccsc1)c1ccc(S(C)(=O)=O)cc1 ZINC000124818982 532129478 /nfs/dbraw/zinc/12/94/78/532129478.db2.gz SQKVUVNCMJMFJB-SJKOYZFVSA-N 0 0 382.507 2.420 10 0 GEAERN Cc1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000176213351 532129497 /nfs/dbraw/zinc/12/94/97/532129497.db2.gz YRJNWJVRYHYDAH-LBPRGKRZSA-N 0 0 379.404 2.033 10 0 GEAERN COC[C@@H](C)C(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)OC ZINC000176251341 532131802 /nfs/dbraw/zinc/13/18/02/532131802.db2.gz ASILEIDIFBXSBE-MEBBXXQBSA-N 0 0 397.269 2.413 10 0 GEAERN C[C@@H](NC(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000125492195 532135993 /nfs/dbraw/zinc/13/59/93/532135993.db2.gz OGWUYDIHWPMWQI-MFKMUULPSA-N 0 0 375.288 2.339 10 0 GEAERN CC(C)n1nnnc1CSCc1nnnn1-c1ccccc1Br ZINC000176901626 532153715 /nfs/dbraw/zinc/15/37/15/532153715.db2.gz CTWZLUKTOLIHDY-UHFFFAOYSA-N 0 0 395.290 2.426 10 0 GEAERN COc1cc(Cl)c(C)cc1NC(=O)C[S@](=O)Cc1nnnn1C(C)C ZINC000176561956 532140989 /nfs/dbraw/zinc/14/09/89/532140989.db2.gz IINGNIWMPPVODT-RUZDIDTESA-N 0 0 385.877 2.112 10 0 GEAERN Cc1ccc(CN(C)C(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)s1 ZINC000125734119 532141388 /nfs/dbraw/zinc/14/13/88/532141388.db2.gz QXYKSAVRLPIDLP-GFCCVEGCSA-N 0 0 377.491 2.142 10 0 GEAERN Cc1ccc([C@@H](CNC(=O)CSc2nncs2)N2CCOCC2)s1 ZINC000176563378 532142042 /nfs/dbraw/zinc/14/20/42/532142042.db2.gz UCFVCOXDLAEPQV-GFCCVEGCSA-N 0 0 384.552 2.190 10 0 GEAERN CC(C)n1nnnc1C[S@](=O)CC(=O)Nc1cccc(Cl)c1Cl ZINC000176563734 532142117 /nfs/dbraw/zinc/14/21/17/532142117.db2.gz YYBBYMYTKKMFBP-QHCPKHFHSA-N 0 0 376.269 2.448 10 0 GEAERN Cc1cc(S(=O)(=O)N[C@H]2CCCn3ncnc32)c(C)cc1Br ZINC000176750429 532148302 /nfs/dbraw/zinc/14/83/02/532148302.db2.gz PBKDQMDQDRNFST-LBPRGKRZSA-N 0 0 385.287 2.471 10 0 GEAERN CC(=O)N[C@H]1CCCN([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 ZINC000128752336 532168009 /nfs/dbraw/zinc/16/80/09/532168009.db2.gz IXIQDHWQDDTLHD-SMDDNHRTSA-N 0 0 384.263 2.226 10 0 GEAERN Cc1nc(NC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)ccc1Br ZINC000128789069 532169069 /nfs/dbraw/zinc/16/90/69/532169069.db2.gz QEZFVSARKQVHJM-BXUZGUMPSA-N 0 0 383.290 2.337 10 0 GEAERN COc1cc(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)ccc1Br ZINC000177398024 532170583 /nfs/dbraw/zinc/17/05/83/532170583.db2.gz BAZCFZRKEFMUGM-CYBMUJFWSA-N 0 0 396.285 2.093 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cc(Br)ccc1C ZINC000177005848 532158795 /nfs/dbraw/zinc/15/87/95/532158795.db2.gz LPLZVYSURJPUJD-GFCCVEGCSA-N 0 0 385.287 2.471 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(Br)c(C)c1 ZINC000177006441 532158870 /nfs/dbraw/zinc/15/88/70/532158870.db2.gz DARFRGVXBRCLOY-CYBMUJFWSA-N 0 0 385.287 2.471 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)Nc3nnc(-c4ccsc4)s3)CCO2)[nH]1 ZINC000177043639 532160231 /nfs/dbraw/zinc/16/02/31/532160231.db2.gz SMKDTLVDCRPVLJ-SNVBAGLBSA-N 0 0 377.455 2.299 10 0 GEAERN COc1cc(Br)cc(C)c1NC(=O)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000177050153 532160899 /nfs/dbraw/zinc/16/08/99/532160899.db2.gz PMXJYQQOPLOSAT-DGCLKSJQSA-N 0 0 399.285 2.372 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000177717292 532180336 /nfs/dbraw/zinc/18/03/36/532180336.db2.gz XETJHPICRDIDLU-GFCCVEGCSA-N 0 0 393.241 2.385 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(I)c1 ZINC000177712945 532180716 /nfs/dbraw/zinc/18/07/16/532180716.db2.gz NSNVAIULEXDNOL-LBPRGKRZSA-N 0 0 382.205 2.456 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(I)cc1 ZINC000177726647 532180869 /nfs/dbraw/zinc/18/08/69/532180869.db2.gz DAAKDNZUQWPAOJ-GFCCVEGCSA-N 0 0 382.205 2.456 10 0 GEAERN Cc1cc(N2CCC[C@@H](NC(=O)c3occc3Br)C2=O)n(C)n1 ZINC000177510318 532173185 /nfs/dbraw/zinc/17/31/85/532173185.db2.gz KOGWLHKYKWVMSK-LLVKDONJSA-N 0 0 381.230 2.009 10 0 GEAERN O=C(N[C@H]1CCCn2ncnc21)c1cnn(-c2cccc(Br)c2)c1 ZINC000177529721 532174335 /nfs/dbraw/zinc/17/43/35/532174335.db2.gz DYEDTTPCNNXZKY-AWEZNQCLSA-N 0 0 387.241 2.491 10 0 GEAERN O=C(N[C@H]1CCCn2ncnc21)c1ccc(I)c(F)c1 ZINC000177617334 532177776 /nfs/dbraw/zinc/17/77/76/532177776.db2.gz VEQVJVDFCNUOLC-NSHDSACASA-N 0 0 386.168 2.287 10 0 GEAERN Cc1c(Cl)cc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1Cl ZINC000177610078 532177782 /nfs/dbraw/zinc/17/77/82/532177782.db2.gz RCEAFYMDWCISGY-WDEREUQCSA-N 0 0 388.295 2.154 10 0 GEAERN C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1CS(C)(=O)=O)c1cccs1 ZINC000178057130 532191853 /nfs/dbraw/zinc/19/18/53/532191853.db2.gz HOTSXEFNJOJWBK-JTQLQIEISA-N 0 0 384.454 2.248 10 0 GEAERN Cn1cc([C@@H]2CCCN2C(=O)Nc2cc(Br)cn(C)c2=O)cn1 ZINC000177974323 532188839 /nfs/dbraw/zinc/18/88/39/532188839.db2.gz HTTGPLAGMMUTGL-ZDUSSCGKSA-N 0 0 380.246 2.250 10 0 GEAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1ccncc1Br ZINC000177998856 532189871 /nfs/dbraw/zinc/18/98/71/532189871.db2.gz ZIIVHFPCSZSOQY-ZDUSSCGKSA-N 0 0 381.251 2.493 10 0 GEAERN CS(=O)(=O)N1CCC(CNC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000132134133 532210112 /nfs/dbraw/zinc/21/01/12/532210112.db2.gz BMWYDSGBYFSAHO-STQMWFEESA-N 0 0 385.452 2.078 10 0 GEAERN NC(=O)[C@H]1COCCN1Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000179732978 532241802 /nfs/dbraw/zinc/24/18/02/532241802.db2.gz NSHGIWQRLJYCCW-CQSZACIVSA-N 0 0 376.869 2.402 10 0 GEAERN COc1ccc(Br)cc1S(=O)(=O)Cc1nnc(C2CC2)n1C ZINC000179621983 532238916 /nfs/dbraw/zinc/23/89/16/532238916.db2.gz BAACJWDWBDVQBX-UHFFFAOYSA-N 0 0 386.271 2.438 10 0 GEAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H]1N1CCOCC1 ZINC000180250926 532263075 /nfs/dbraw/zinc/26/30/75/532263075.db2.gz ZKIJBJYSQDESGT-NHYWBVRUSA-N 0 0 386.279 2.111 10 0 GEAERN C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)C[C@@H]1N1CCOCC1 ZINC000180256318 532263859 /nfs/dbraw/zinc/26/38/59/532263859.db2.gz BGCQEASQUWLUIQ-NHYWBVRUSA-N 0 0 386.279 2.111 10 0 GEAERN CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000180309622 532267135 /nfs/dbraw/zinc/26/71/35/532267135.db2.gz OEYZYFDYDYXKQM-JQWIXIFHSA-N 0 0 377.869 2.263 10 0 GEAERN Cc1ccc2c(c1)[C@H](NC(=O)NCc1ccc(S(N)(=O)=O)s1)[C@H](C)C2 ZINC000180825502 532282130 /nfs/dbraw/zinc/28/21/30/532282130.db2.gz LSNATIMBUGARTG-BDJLRTHQSA-N 0 0 379.507 2.437 10 0 GEAERN C[C@@H]1CN(C(=O)[C@@H]2COc3ccc(Br)cc32)C[C@H]1N1CCOCC1 ZINC000136545363 532285815 /nfs/dbraw/zinc/28/58/15/532285815.db2.gz XBEGBDRWBFULIO-DAXOMENPSA-N 0 0 395.297 2.104 10 0 GEAERN Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)o1 ZINC000135419498 532273732 /nfs/dbraw/zinc/27/37/32/532273732.db2.gz UGDWOUMUWHEJIB-SNVBAGLBSA-N 0 0 376.431 2.138 10 0 GEAERN CN1CCO[C@@H](CNC(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)C1 ZINC000150798594 532302231 /nfs/dbraw/zinc/30/22/31/532302231.db2.gz VLJTVYWBSMHYIG-AWEZNQCLSA-N 0 0 384.933 2.345 10 0 GEAERN Cc1cc(Br)cc([C@H]2NC(=O)[C@@H]3COCCN32)c1OC(F)F ZINC000182074745 532309163 /nfs/dbraw/zinc/30/91/63/532309163.db2.gz MMUPNKSVUYNRDI-JQWIXIFHSA-N 0 0 377.185 2.188 10 0 GEAERN Clc1ccc(-n2cc(CN3CC[C@@H](N4CCOCC4)C3)nn2)cc1Cl ZINC000182192820 532310068 /nfs/dbraw/zinc/31/00/68/532310068.db2.gz OUQAKAMHZNTOGE-OAHLLOKOSA-N 0 0 382.295 2.481 10 0 GEAERN Cn1c(Cn2cc(Br)cc(Br)c2=O)nnc1C1CC1 ZINC000182345588 532312165 /nfs/dbraw/zinc/31/21/65/532312165.db2.gz ZLFPCYFHAPANSQ-UHFFFAOYSA-N 0 0 388.063 2.428 10 0 GEAERN Cc1cnc([C@@H](C)CNC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)s1 ZINC000182802465 532317842 /nfs/dbraw/zinc/31/78/42/532317842.db2.gz KJMKLHLCYVMIOI-CMPLNLGQSA-N 0 0 382.511 2.263 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)c1cccc(Br)n1 ZINC000187256636 532343661 /nfs/dbraw/zinc/34/36/61/532343661.db2.gz LKRREPWDQACGLZ-NSHDSACASA-N 0 0 390.303 2.011 10 0 GEAERN COC(=O)[C@@]1(C)CCCN1CCS(=O)(=O)c1cccc(Br)c1 ZINC000186340698 532340683 /nfs/dbraw/zinc/34/06/83/532340683.db2.gz UBPAKLVLFQWIES-OAHLLOKOSA-N 0 0 390.299 2.250 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc2cccc(Cl)c2n1C ZINC000186560317 532341252 /nfs/dbraw/zinc/34/12/52/532341252.db2.gz WAMOQGODGYGAJO-CYBMUJFWSA-N 0 0 384.889 2.369 10 0 GEAERN CCc1nc2n(n1)C[C@H](NCc1cccc(Cl)c1S(=O)(=O)CC)CC2 ZINC000187219086 532343476 /nfs/dbraw/zinc/34/34/76/532343476.db2.gz RIOBRCXYKMDRSC-CYBMUJFWSA-N 0 0 382.917 2.392 10 0 GEAERN COC(=O)[C@@H]1C[C@H]1C(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000184501610 532333214 /nfs/dbraw/zinc/33/32/14/532333214.db2.gz HLYOOHIFVFWYQD-GYSYKLTISA-N 0 0 386.217 2.297 10 0 GEAERN CC[C@@H](O)CN1CCN(C(=O)NCc2cc(Br)cs2)CC1 ZINC000184871993 532335252 /nfs/dbraw/zinc/33/52/52/532335252.db2.gz ZNRDJCIAVFTWRA-GFCCVEGCSA-N 0 0 376.320 2.109 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)NCc2sccc2Br)CC1 ZINC000184984467 532336410 /nfs/dbraw/zinc/33/64/10/532336410.db2.gz NHWCAGOZJLYFMD-NSHDSACASA-N 0 0 376.320 2.109 10 0 GEAERN CCc1nnc([C@@H]2CN(C(=O)c3nc(Br)ccc3C)CCO2)[nH]1 ZINC000187876447 532345997 /nfs/dbraw/zinc/34/59/97/532345997.db2.gz NROHJTSIYZGJSG-JTQLQIEISA-N 0 0 380.246 2.047 10 0 GEAERN Cc1ccc(CC(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1Br ZINC000187873013 532346054 /nfs/dbraw/zinc/34/60/54/532346054.db2.gz DPLNIBSABVVHQV-OAHLLOKOSA-N 0 0 378.270 2.424 10 0 GEAERN C[C@H]1C(=O)NCCCN1C(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000188086309 532346634 /nfs/dbraw/zinc/34/66/34/532346634.db2.gz MHTYUAXGSDLPNN-JTQLQIEISA-N 0 0 395.232 2.125 10 0 GEAERN Cc1c(I)cccc1C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188482743 532348449 /nfs/dbraw/zinc/34/84/49/532348449.db2.gz ZRIQMKNKWNSXSP-UHFFFAOYSA-N 0 0 398.244 2.340 10 0 GEAERN CCOc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2CO)cc1Br ZINC000188871742 532349840 /nfs/dbraw/zinc/34/98/40/532349840.db2.gz AWNYPDDFRHURAQ-FZMZJTMJSA-N 0 0 399.285 2.454 10 0 GEAERN O=C(c1cc(Br)ncc1Cl)N1CCO[C@@H](Cn2cccn2)C1 ZINC000188863663 532349914 /nfs/dbraw/zinc/34/99/14/532349914.db2.gz VYCJMNUULXREQN-SNVBAGLBSA-N 0 0 385.649 2.235 10 0 GEAERN CCOCCN1CCN(C(=O)c2nc(Br)cs2)C[C@H]1CC ZINC000188874944 532349971 /nfs/dbraw/zinc/34/99/71/532349971.db2.gz IYAGQLJRYNBTLV-LLVKDONJSA-N 0 0 376.320 2.479 10 0 GEAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc(I)c(Cl)c1 ZINC000188886225 532350043 /nfs/dbraw/zinc/35/00/43/532350043.db2.gz LYJBJWVIZLLRDQ-MRVPVSSYSA-N 0 0 392.624 2.295 10 0 GEAERN COc1ccc([C@H](C)NC(=O)N2CC(NC(=O)C3CC3)C2)cc1Br ZINC000190069902 532354697 /nfs/dbraw/zinc/35/46/97/532354697.db2.gz CPXRCZLCWTYKAJ-JTQLQIEISA-N 0 0 396.285 2.439 10 0 GEAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000190666483 532357324 /nfs/dbraw/zinc/35/73/24/532357324.db2.gz NZIGQSOXLJVKPX-ZETCQYMHSA-N 0 0 378.643 2.322 10 0 GEAERN C[C@@H](NC(=O)C(=O)Nc1cc(F)cc(F)c1Br)[C@H]1CCCO1 ZINC000191128997 532359668 /nfs/dbraw/zinc/35/96/68/532359668.db2.gz MSDPJEVQNGKGGW-RDDDGLTNSA-N 0 0 377.185 2.350 10 0 GEAERN O=C(Nc1cc(F)cc(F)c1Br)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000191229228 532360065 /nfs/dbraw/zinc/36/00/65/532360065.db2.gz WSBVGAUBOPZMMP-KWQFWETISA-N 0 0 391.212 2.333 10 0 GEAERN CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CCCO[C@@H]2C)s1 ZINC000191265540 532360207 /nfs/dbraw/zinc/36/02/07/532360207.db2.gz UPKLJTZCRQLUGY-UKRRQHHQSA-N 0 0 388.555 2.252 10 0 GEAERN CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187753847 532345395 /nfs/dbraw/zinc/34/53/95/532345395.db2.gz YYCXFBORJDLEDM-SOUVJXGZSA-N 0 0 382.551 2.230 10 0 GEAERN CCS(=O)(=O)c1ccccc1C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187744698 532345407 /nfs/dbraw/zinc/34/54/07/532345407.db2.gz DQCJTBLEVSHRSX-HOCLYGCPSA-N 0 0 379.503 2.390 10 0 GEAERN Cc1cnn(C[C@@H]2CN(C(=O)c3nc(Br)ccc3C)CCO2)c1 ZINC000191581361 532361458 /nfs/dbraw/zinc/36/14/58/532361458.db2.gz FLHRXXZYFYWWAN-ZDUSSCGKSA-N 0 0 379.258 2.199 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)c3cc(Br)c(F)cc3F)CCO2)[nH]1 ZINC000192138575 532389258 /nfs/dbraw/zinc/38/92/58/532389258.db2.gz DZHBFENMLJNIDZ-LBPRGKRZSA-N 0 0 387.184 2.368 10 0 GEAERN COc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]2Cn2ccnc2)cc1OC ZINC000192820946 532412904 /nfs/dbraw/zinc/41/29/04/532412904.db2.gz KBJLKKKHZTZPJH-GFCCVEGCSA-N 0 0 385.873 2.407 10 0 GEAERN C[C@H](NC(=O)CCN1CCCS1(=O)=O)c1cccc(Br)c1 ZINC000194160712 532442341 /nfs/dbraw/zinc/44/23/41/532442341.db2.gz HYOWCMMLHSKQDX-NSHDSACASA-N 0 0 375.288 2.052 10 0 GEAERN CN1CCO[C@H](CNC(=O)CCOc2ccc(Cl)cc2Br)C1 ZINC000194600840 532453894 /nfs/dbraw/zinc/45/38/94/532453894.db2.gz CVDNGXJFVVYILN-GFCCVEGCSA-N 0 0 391.693 2.318 10 0 GEAERN CC(C)n1nnnc1CS(=O)(=O)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000195428572 532476626 /nfs/dbraw/zinc/47/66/26/532476626.db2.gz SVOPDLWHSYFAQY-UHFFFAOYSA-N 0 0 392.268 2.114 10 0 GEAERN CC(C)n1nnnc1CS(=O)(=O)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000195428202 532477138 /nfs/dbraw/zinc/47/71/38/532477138.db2.gz BMPHSFPSDLQBIM-UHFFFAOYSA-N 0 0 392.268 2.114 10 0 GEAERN CC(C)n1nnnc1CS(=O)(=O)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000195428783 532477207 /nfs/dbraw/zinc/47/72/07/532477207.db2.gz DBLGIPMIDJJSFH-UHFFFAOYSA-N 0 0 392.268 2.114 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)c2ccccc2Br)C[C@H]1C ZINC000247249926 532546429 /nfs/dbraw/zinc/54/64/29/532546429.db2.gz XSCADWDMWITTPX-CYBMUJFWSA-N 0 0 391.331 2.180 10 0 GEAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(Cc2cc(Br)c(Cl)s2)CCO1 ZINC000263515085 532628130 /nfs/dbraw/zinc/62/81/30/532628130.db2.gz OKZQQBAMUFMFGH-VIFPVBQESA-N 0 0 397.722 2.381 10 0 GEAERN CC[S@](=O)[C@@H]1CCC[C@H](Nc2ccc(S(=O)(=O)N3CCCC3)cn2)C1 ZINC000301558918 532754882 /nfs/dbraw/zinc/75/48/82/532754882.db2.gz OCQPIUIPOHYFIP-OWWKKJFISA-N 0 0 385.555 2.358 10 0 GEAERN CC(C)(C)c1cn2nc(NCC3(CS(C)(=O)=O)CCOCC3)sc2n1 ZINC000301818960 532760761 /nfs/dbraw/zinc/76/07/61/532760761.db2.gz AIUCJOMYVNNYDE-UHFFFAOYSA-N 0 0 386.543 2.342 10 0 GEAERN C[C@H]1COC2(CCN(c3ccc(S(N)(=O)=O)c(C(F)(F)F)c3)CC2)O1 ZINC000301461466 532752504 /nfs/dbraw/zinc/75/25/04/532752504.db2.gz ZAUNJZXNZQZKQI-JTQLQIEISA-N 0 0 380.388 2.085 10 0 GEAERN COc1ccc(S(=O)(=O)N2C[C@H](CO)[C@@H](c3ccsc3)C2)cc1OC ZINC000328614315 532793969 /nfs/dbraw/zinc/79/39/69/532793969.db2.gz VOXFNNOSXKEDSA-UKRRQHHQSA-N 0 0 383.491 2.162 10 0 GEAERN O=C(CSc1nnc2[nH]c(=O)c(-c3ccccc3)nn21)Nc1ccccc1 ZINC000005144080 209123570 /nfs/dbraw/zinc/12/35/70/209123570.db2.gz RUPXIZKLOFQNIZ-UHFFFAOYSA-N 0 0 378.417 2.210 10 0 GEAERN O=C(CN1C(=O)S/C(=C/c2ccccc2)C1=O)N[C@@H](CO)Cc1ccccc1 ZINC000033544508 206256378 /nfs/dbraw/zinc/25/63/78/206256378.db2.gz YYFVIFMDIPBVKT-YPOUMIDOSA-N 0 0 396.468 2.443 10 0 GEAERN O=S(=O)(c1cccnc1)N(c1ccc(F)cc1)S(=O)(=O)c1cccnc1 ZINC000032641669 206257445 /nfs/dbraw/zinc/25/74/45/206257445.db2.gz LGEJMCBHLMTTJN-UHFFFAOYSA-N 0 0 393.421 2.200 10 0 GEAERN C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2ncccc12 ZINC000003648951 206293838 /nfs/dbraw/zinc/29/38/38/206293838.db2.gz CCGWWGUXCYXFJW-CQSZACIVSA-N 0 0 376.416 2.119 10 0 GEAERN CCOc1nc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cc(N)c1Cl ZINC000014960000 206296906 /nfs/dbraw/zinc/29/69/06/206296906.db2.gz ZVDDPXIWKBBCQE-UHFFFAOYSA-N 0 0 383.857 2.049 10 0 GEAERN CCCC[C@H]([NH2+][C@@H](C)C(=O)N1[C@H](C(=O)OCC)C[C@@H]2CCCC[C@@H]21)C(=O)[O-] ZINC000038174251 206305560 /nfs/dbraw/zinc/30/55/60/206305560.db2.gz YSTYLHQNVGRLGG-WOYTXXSLSA-N 0 0 382.501 2.331 10 0 in-man GEAERN Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(C[C@@H]3CCCO3)c2=O)cc1 ZINC000004907022 206569759 /nfs/dbraw/zinc/56/97/59/206569759.db2.gz XVAKNIIERGQAKG-KRWDZBQOSA-N 0 0 393.443 2.289 10 0 GEAERN CCc1ccc(-n2c3nnc(SCC(=O)NC)n3c3ccccc3c2=O)cc1 ZINC000006790777 206676232 /nfs/dbraw/zinc/67/62/32/206676232.db2.gz DEFACLMAWGLSCD-UHFFFAOYSA-N 0 0 393.472 2.434 10 0 GEAERN COC(=O)c1ccccc1NC(=O)CCn1c(=O)c2cccn2c2cccnc21 ZINC000008588902 206756723 /nfs/dbraw/zinc/75/67/23/206756723.db2.gz FKOOTNUHIBLAPG-UHFFFAOYSA-N 0 0 390.399 2.465 10 0 GEAERN CCOC(=O)C1CCN(S(=O)(=O)c2ccc(N3CCCCC3=O)cc2)CC1 ZINC000012198790 206867954 /nfs/dbraw/zinc/86/79/54/206867954.db2.gz SYUDXUPULCVVOZ-UHFFFAOYSA-N 0 0 394.493 2.167 10 0 GEAERN CS(=O)(=O)N1CCC(C(=O)N[C@H](Cc2ccsc2)c2ccccn2)CC1 ZINC000012229164 206873012 /nfs/dbraw/zinc/87/30/12/206873012.db2.gz XPEDZICCRCKCLA-QGZVFWFLSA-N 0 0 393.534 2.215 10 0 GEAERN CSCC[C@@H](CO)NC(=O)c1coc(CN2CCc3ccccc3C2)n1 ZINC000014960875 207035011 /nfs/dbraw/zinc/03/50/11/207035011.db2.gz NOJATBMGFMCKQE-INIZCTEOSA-N 0 0 375.494 2.077 10 0 GEAERN O=C(c1cn(C[C@H]2COc3ccccc3O2)nn1)N1CCc2sccc2C1 ZINC000014972646 207036426 /nfs/dbraw/zinc/03/64/26/207036426.db2.gz FKEVRUBUACXOPC-AWEZNQCLSA-N 0 0 382.445 2.378 10 0 GEAERN Cc1nc2cccnc2n1-c1ccc(C(=O)NCCCN2CCCC2=O)cc1 ZINC000015681939 207055777 /nfs/dbraw/zinc/05/57/77/207055777.db2.gz KIIYLIQEFHITIK-UHFFFAOYSA-N 0 0 377.448 2.471 10 0 GEAERN Cc1ccc(NC(=O)CN2CCN(Cc3ccccc3F)S2(=O)=O)cc1 ZINC000021880438 207240588 /nfs/dbraw/zinc/24/05/88/207240588.db2.gz DMEQOAYOELODLV-UHFFFAOYSA-N 0 0 377.441 2.135 10 0 GEAERN COc1ccccc1CSc1nnc(Nc2ccccc2OC)c(=O)n1N ZINC000028536430 207343845 /nfs/dbraw/zinc/34/38/45/207343845.db2.gz HKMBDGICSLHTDI-UHFFFAOYSA-N 0 0 385.449 2.405 10 0 GEAERN Cc1ccc(Nc2nc(N3CCOCC3)nc(N3C[C@@H](C)O[C@@H](C)C3)n2)cc1 ZINC000028218675 207336286 /nfs/dbraw/zinc/33/62/86/207336286.db2.gz DJVFJSBRRBJNEE-IYBDPMFKSA-N 0 0 384.484 2.374 10 0 GEAERN Cc1ccc(Nc2nc(N3CCOCC3)nc(N3C[C@H](C)O[C@@H](C)C3)n2)cc1 ZINC000028218682 207336566 /nfs/dbraw/zinc/33/65/66/207336566.db2.gz DJVFJSBRRBJNEE-HOTGVXAUSA-N 0 0 384.484 2.374 10 0 GEAERN Cc1nsc(C)c1C(=O)N1CCOC[C@H]1c1ncn(CC(F)(F)F)n1 ZINC000293521595 532928187 /nfs/dbraw/zinc/92/81/87/532928187.db2.gz BBYLOLGLMOYSJH-JTQLQIEISA-N 0 0 375.376 2.127 10 0 GEAERN Cc1ccc(C)c(-c2cc(C(=O)NCC(=O)NCCc3ccccn3)no2)c1 ZINC000036014942 207508080 /nfs/dbraw/zinc/50/80/80/207508080.db2.gz UIBTYNTUHAIJIC-UHFFFAOYSA-N 0 0 378.432 2.442 10 0 GEAERN O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2)cc1)c1ccc(F)c(Cl)c1 ZINC000067896899 207548578 /nfs/dbraw/zinc/54/85/78/207548578.db2.gz HUKHYBIFRCTTNQ-NVXWUHKLSA-N 0 0 378.787 2.280 10 0 GEAERN CCn1nc(C)cc1C(=O)N1Cc2nc(N)nc(-c3ccc(OC)cc3)c2C1 ZINC000067643675 207899941 /nfs/dbraw/zinc/89/99/41/207899941.db2.gz ITMHOSKIQUBAGB-UHFFFAOYSA-N 0 0 378.436 2.415 10 0 GEAERN CSc1nnc(CC2CCN(C(=O)c3noc4c3CCCC4)CC2)n1C ZINC000082091699 208076145 /nfs/dbraw/zinc/07/61/45/208076145.db2.gz IXHNAKCPMSRUAT-UHFFFAOYSA-N 0 0 375.498 2.499 10 0 GEAERN CCc1nc(CSc2ccccn2)n(-c2ccc(S(N)(=O)=O)cc2)n1 ZINC000091665599 208133641 /nfs/dbraw/zinc/13/36/41/208133641.db2.gz ZIERPNNYLKAWDE-UHFFFAOYSA-N 0 0 375.479 2.164 10 0 GEAERN CC(C)c1nc(CCc2ccc3c(c2)OCO3)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000095389012 208176582 /nfs/dbraw/zinc/17/65/82/208176582.db2.gz IEHHFYOLRCFMQH-AWEZNQCLSA-N 0 0 377.466 2.275 10 0 GEAERN C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@H](O)C=C1C[C@H](OS(N)(=O)=O)CC[C@@]13C ZINC000095924573 208239490 /nfs/dbraw/zinc/23/94/90/208239490.db2.gz MNBRJVRSKWOGDJ-VFELUIQASA-N 0 0 383.510 2.078 10 0 GEAERN O=C(NCCc1csc([C@H]2CCCN(C(=O)[C@H]3CCOC3)C2)n1)C1CCC1 ZINC000096373242 208311210 /nfs/dbraw/zinc/31/12/10/208311210.db2.gz QPHUQVAGRPVHPW-HOTGVXAUSA-N 0 0 391.537 2.344 10 0 GEAERN COc1ccc(NC(=O)c2nnn3c2c(=O)[nH]c2cc(C)ccc23)cc1OC ZINC000096397774 208313622 /nfs/dbraw/zinc/31/36/22/208313622.db2.gz NLSFUMZHNKLHII-UHFFFAOYSA-N 0 0 379.376 2.149 10 0 GEAERN CCOC(=O)C1CCN(C(=O)CCC(=O)Nc2nc(C)c(C(C)=O)s2)CC1 ZINC000027913385 208925142 /nfs/dbraw/zinc/92/51/42/208925142.db2.gz MMGWPRHRBGAADU-UHFFFAOYSA-N 0 0 395.481 2.175 10 0 GEAERN CCC(=O)Nc1ccccc1C(=O)OCc1cc(=O)n2nc(CC)sc2n1 ZINC000041077354 209095698 /nfs/dbraw/zinc/09/56/98/209095698.db2.gz XVLAMNDDRVSHEI-UHFFFAOYSA-N 0 0 386.433 2.419 10 0 GEAERN COC(=O)Cc1nn(CC(=O)Nc2cc(C)ccc2C)c(=O)c2ccccc12 ZINC000041107424 209095920 /nfs/dbraw/zinc/09/59/20/209095920.db2.gz RINZHADOKATCOD-UHFFFAOYSA-N 0 0 379.416 2.368 10 0 GEAERN CCOCc1nn2c(nc(COC(=O)c3ccc(OC)cc3)cc2=O)s1 ZINC000041077274 209094909 /nfs/dbraw/zinc/09/49/09/209094909.db2.gz OLYBYYVFOKOMMN-UHFFFAOYSA-N 0 0 375.406 2.053 10 0 GEAERN CCOC(=O)N1CCN(c2ncnc(Nc3ccc(Cl)cn3)c2N)CC1 ZINC000040779635 132405846 /nfs/dbraw/zinc/40/58/46/132405846.db2.gz XGINESARMPSIBK-UHFFFAOYSA-N 0 0 377.836 2.129 10 0 GEAERN CC(C)Cc1noc([C@H](C)NC(=O)c2ccccc2N2CCC(=O)NC2=O)n1 ZINC000063848583 136156494 /nfs/dbraw/zinc/15/64/94/136156494.db2.gz LITABGCAVALVRB-LBPRGKRZSA-N 0 0 385.424 2.205 10 0 GEAERN Cc1cccc(N2CCN(C(=O)CN3CC=C(c4cnn(C)c4)CC3)CC2)c1C ZINC000064889426 136158158 /nfs/dbraw/zinc/15/81/58/136158158.db2.gz INXMUJQDWMGQDU-UHFFFAOYSA-N 0 0 393.535 2.475 10 0 GEAERN CCC(=O)Nc1cnc(N2CCC(CC[NH+]3CCOCC3)CC2)c(C(=O)[O-])c1 ZINC000064978873 136158400 /nfs/dbraw/zinc/15/84/00/136158400.db2.gz RBPKOAUHVDJJOV-UHFFFAOYSA-N 0 0 390.484 2.067 10 0 GEAERN Cc1ccc([C@H](C)NC(=O)Cn2ncc3c2ncnc3N2CCOCC2)cc1C ZINC000065295132 136162705 /nfs/dbraw/zinc/16/27/05/136162705.db2.gz NAUFMSVYNQYZQH-INIZCTEOSA-N 0 0 394.479 2.157 10 0 GEAERN CCCCCCN1CCN(Cc2ccc(N(C(C)=O)C(C)=O)cc2)C(=O)C1=O ZINC000033874793 520080794 /nfs/dbraw/zinc/08/07/94/520080794.db2.gz VKRFFQFUQUAIST-UHFFFAOYSA-N 0 0 387.480 2.337 10 0 GEAERN O=C(NC[C@H]1CCCO1)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)o1 ZINC000035423319 570355145 /nfs/dbraw/zinc/35/51/45/570355145.db2.gz UFGQTFPHPWZPGZ-CQSZACIVSA-N 0 0 392.415 2.199 10 0 GEAERN CNc1nc(C)c(-c2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2F)s1 ZINC000095605236 570396111 /nfs/dbraw/zinc/39/61/11/570396111.db2.gz GAIOPWBQKZMUNO-UHFFFAOYSA-N 0 0 394.457 2.480 10 0 GEAERN COCCNC(=O)[C@]1(C)Cn2c(cc3ccsc32)C(=O)N1Cc1ccco1 ZINC000035405793 570552470 /nfs/dbraw/zinc/55/24/70/570552470.db2.gz LYKRZOANAPXRBV-IBGZPJMESA-N 0 0 387.461 2.473 10 0 GEAERN CCN(CC)C(=O)[C@H](NC(=O)c1ccccc1)C1CCN(C(=O)C2CC2)CC1 ZINC000036157498 570554552 /nfs/dbraw/zinc/55/45/52/570554552.db2.gz HNVIPXHJIFCGHE-LJQANCHMSA-N 0 0 385.508 2.302 10 0 GEAERN COc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)N[C@@H](C)c1ccccc1 ZINC000064837068 570559782 /nfs/dbraw/zinc/55/97/82/570559782.db2.gz YCXRIFPFFQSFBH-ZDUSSCGKSA-N 0 0 385.445 2.485 10 0 GEAERN O=C(C[C@@H]1C(=O)NCCN1Cc1cccc2ccccc21)NCC1CCOCC1 ZINC000012429500 570674577 /nfs/dbraw/zinc/67/45/77/570674577.db2.gz LZYOXGDRICCFMN-OAQYLSRUSA-N 0 0 395.503 2.073 10 0 GEAERN O=C(Cc1ccc(F)cc1)N[C@@H](c1nnc(N2CCOCC2)o1)c1ccccc1 ZINC000065209668 570731319 /nfs/dbraw/zinc/73/13/19/570731319.db2.gz NKGGUQHCFJREOW-LJQANCHMSA-N 0 0 396.422 2.494 10 0 GEAERN O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCN(c2cn[nH]c(=O)c2)C1 ZINC000065313527 570795400 /nfs/dbraw/zinc/79/54/00/570795400.db2.gz GULMKJIKNSMKDY-CYBMUJFWSA-N 0 0 396.369 2.201 10 0 GEAERN CCNC(=O)c1cn(-c2ccccc2)nc1[C@H]1CCCN([C@H](C)C(=O)N(C)C)C1 ZINC000583623754 570801946 /nfs/dbraw/zinc/80/19/46/570801946.db2.gz WEMAOJNXVRCSDB-SJORKVTESA-N 0 0 397.523 2.278 10 0 GEAERN COc1cccc(CNC(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CC3)c1 ZINC000033130249 570820774 /nfs/dbraw/zinc/82/07/74/570820774.db2.gz GVAXQBSIHNJIPE-UHFFFAOYSA-N 0 0 375.450 2.339 10 0 GEAERN COc1cc(C)c(S(=O)(=O)N2CC[C@@H](Oc3cccnc3)C2)cc1OC ZINC000097015656 570886753 /nfs/dbraw/zinc/88/67/53/570886753.db2.gz OXYGLZREEJUUFZ-OAHLLOKOSA-N 0 0 378.450 2.249 10 0 GEAERN COc1cc(CNC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)cc(OC)c1 ZINC000045176148 570988562 /nfs/dbraw/zinc/98/85/62/570988562.db2.gz PZEYLPGULCFLLQ-SFHVURJKSA-N 0 0 382.460 2.411 10 0 GEAERN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)S(=O)(=O)/C=C/c1ccccc1 ZINC000008515208 642353183 /nfs/dbraw/zinc/35/31/83/642353183.db2.gz SCWRYNOCDLJXIA-XTZCOPOCSA-N 0 0 380.491 2.328 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1coc(-c2cccs2)n1 ZINC000028504911 642450844 /nfs/dbraw/zinc/45/08/44/642450844.db2.gz WROMNAXKBQKAKH-ZDUSSCGKSA-N 0 0 383.495 2.224 10 0 GEAERN CC(=O)N[C@H]1CCCN(C(=O)c2cccc(F)c2I)C1 ZINC000533526584 650761563 /nfs/dbraw/zinc/76/15/63/650761563.db2.gz TWELIAJDPUWTAX-JTQLQIEISA-N 0 0 390.196 2.171 10 0 GEAERN O=S(=O)(CCN1CCC[C@H]1CCCO)c1ccc(Br)cc1 ZINC000052762868 642727459 /nfs/dbraw/zinc/72/74/59/642727459.db2.gz LGQVOSYJWRAFGD-AWEZNQCLSA-N 0 0 376.316 2.460 10 0 GEAERN CNS(=O)(=O)c1ccc([C@@H](C)NS(=O)(=O)/C=C/c2ccccc2)cc1 ZINC000053670719 642734982 /nfs/dbraw/zinc/73/49/82/642734982.db2.gz UDNKWAWGCWGJGF-XTZCOPOCSA-N 0 0 380.491 2.246 10 0 GEAERN C[C@@H](NC(=O)[C@H](C)NC(=O)c1cccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000054321186 642751624 /nfs/dbraw/zinc/75/16/24/642751624.db2.gz FBMDHPBOOGJESA-NEPJUHHUSA-N 0 0 380.491 2.147 10 0 GEAERN Cn1cnc(S(=O)(=O)NC[C@@H]2CCCCN2Cc2ccccc2)c1Cl ZINC000065885814 642890683 /nfs/dbraw/zinc/89/06/83/642890683.db2.gz MCKHKOIHDFDPOP-HNNXBMFYSA-N 0 0 382.917 2.407 10 0 GEAERN NC(=O)c1c(F)cc(Br)cc1N1CCN(c2nccs2)CC1 ZINC000092827682 643072911 /nfs/dbraw/zinc/07/29/11/643072911.db2.gz NZCBXNNRFLLTPY-UHFFFAOYSA-N 0 0 385.262 2.470 10 0 GEAERN COCCN1CCN(C(=O)N[C@@H](C)c2ccccc2Br)CC1=O ZINC000093285249 643075798 /nfs/dbraw/zinc/07/57/98/643075798.db2.gz VCFXMVLLUCYRIO-LBPRGKRZSA-N 0 0 384.274 2.010 10 0 GEAERN CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H](C)C(C)C ZINC000097663624 643097561 /nfs/dbraw/zinc/09/75/61/643097561.db2.gz AJYSDYBAJJXGOG-OCCSQVGLSA-N 0 0 376.519 2.386 10 0 GEAERN COCc1c(Br)cccc1NC(=O)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000102083468 643122393 /nfs/dbraw/zinc/12/23/93/643122393.db2.gz YZCLGJSFQIPFMI-IINYFYTJSA-N 0 0 385.258 2.218 10 0 GEAERN COc1ccc(Br)cc1S(=O)(=O)N[C@H](CO)c1ccccc1 ZINC000102888358 643143696 /nfs/dbraw/zinc/14/36/96/643143696.db2.gz IARXEJIVVMQHJD-CYBMUJFWSA-N 0 0 386.267 2.470 10 0 GEAERN NC(=O)[C@@H](c1ccc(Br)cc1)N1CCC(Nc2cccnn2)CC1 ZINC000106080135 643220194 /nfs/dbraw/zinc/22/01/94/643220194.db2.gz MPLJBEKRARYLMV-MRXNPFEDSA-N 0 0 390.285 2.342 10 0 GEAERN COCCN1CCN(CC(=O)N[C@@H](C)c2ccc(Br)cc2)C[C@H]1C ZINC000106109528 643223113 /nfs/dbraw/zinc/22/31/13/643223113.db2.gz FXLMMKQFXATVSG-CABCVRRESA-N 0 0 398.345 2.279 10 0 GEAERN COCCN1CCN(CC(=O)Nc2ccc(Br)cc2F)C[C@H]1C ZINC000106109776 643223301 /nfs/dbraw/zinc/22/33/01/643223301.db2.gz KPMQCOREAZCLBT-GFCCVEGCSA-N 0 0 388.281 2.179 10 0 GEAERN CN(CC(=O)NCc1cccs1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106162070 643224931 /nfs/dbraw/zinc/22/49/31/643224931.db2.gz MOAHFVCFCPEXKY-INIZCTEOSA-N 0 0 379.551 2.431 10 0 GEAERN Brc1cc2c(cc1CN1CCO[C@@H](Cn3cccn3)C1)OCO2 ZINC000106192122 643225639 /nfs/dbraw/zinc/22/56/39/643225639.db2.gz AIUKWAZZPDFJCR-CYBMUJFWSA-N 0 0 380.242 2.275 10 0 GEAERN COc1ccc(Br)c(C(=O)N2CCO[C@@H](Cn3cccn3)C2)c1 ZINC000111080584 643326325 /nfs/dbraw/zinc/32/63/25/643326325.db2.gz DVZODDMNTJNFCB-CYBMUJFWSA-N 0 0 380.242 2.195 10 0 GEAERN CSc1ccc(S(=O)(=O)N2CCN([C@@H](C)c3nc(C)no3)CC2)cc1 ZINC000111344433 643334926 /nfs/dbraw/zinc/33/49/26/643334926.db2.gz PAMALLCKJGPZRT-LBPRGKRZSA-N 0 0 382.511 2.167 10 0 GEAERN Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3F)CCO2)n1 ZINC000111345026 643335514 /nfs/dbraw/zinc/33/55/14/643335514.db2.gz OSSBCEVMTUUXKI-AWEZNQCLSA-N 0 0 387.864 2.382 10 0 GEAERN O=C(NCc1ccc(Br)cc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111860544 643348718 /nfs/dbraw/zinc/34/87/18/643348718.db2.gz RDTQWGSGXBICPC-OAHLLOKOSA-N 0 0 379.258 2.256 10 0 GEAERN CC(C)c1nc2n(n1)C[C@@H](N[C@@H](C(N)=O)c1ccc(Br)cc1)CC2 ZINC000112552122 643365120 /nfs/dbraw/zinc/36/51/20/643365120.db2.gz BHWWSFILBNTXTD-DZGCQCFKSA-N 0 0 392.301 2.295 10 0 GEAERN CCn1cc(CN2CCCN(S(=O)(=O)c3ccccc3Cl)CC2)cn1 ZINC000112707561 643370288 /nfs/dbraw/zinc/37/02/88/643370288.db2.gz SZHVRQARLKBCLX-UHFFFAOYSA-N 0 0 382.917 2.453 10 0 GEAERN COc1cc(Br)cc(C)c1NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112712229 643370841 /nfs/dbraw/zinc/37/08/41/643370841.db2.gz MOIGVKAROCPUIQ-NSHDSACASA-N 0 0 380.246 2.494 10 0 GEAERN O=C1NCCc2ccc(S(=O)(=O)N[C@@H]3CCC[C@H](C(F)(F)F)C3)cc21 ZINC000116329167 643457148 /nfs/dbraw/zinc/45/71/48/643457148.db2.gz KEHGKMDKWWRCHZ-NWDGAFQWSA-N 0 0 376.400 2.372 10 0 GEAERN Cn1cc([C@@H]2CCN(S(=O)(=O)c3ccc(F)cc3Br)C2)cn1 ZINC000116370710 643460947 /nfs/dbraw/zinc/46/09/47/643460947.db2.gz FTJUWZQJZUSVJE-SNVBAGLBSA-N 0 0 388.262 2.500 10 0 GEAERN Cn1cc([C@H]2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C2)cn1 ZINC000116370339 643461018 /nfs/dbraw/zinc/46/10/18/643461018.db2.gz NDIJQESFACDXMJ-NSHDSACASA-N 0 0 375.372 2.497 10 0 GEAERN Cn1cc([C@@H]2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)C2)cn1 ZINC000116370003 643461161 /nfs/dbraw/zinc/46/11/61/643461161.db2.gz YVOQFUGROWSUCA-LLVKDONJSA-N 0 0 375.372 2.497 10 0 GEAERN CCc1nn(C)c(Cl)c1CN1CCN(S(=O)(=O)C[C@H](C)CC)CC1 ZINC000116899384 643475782 /nfs/dbraw/zinc/47/57/82/643475782.db2.gz NHKMKCUTHDNVMH-CYBMUJFWSA-N 0 0 376.954 2.129 10 0 GEAERN COCCN1CCN(C(=O)NCc2ccc(Br)c(F)c2)C[C@@H]1C ZINC000117486629 643491859 /nfs/dbraw/zinc/49/18/59/643491859.db2.gz ZFAHCMLYNNUCRP-LBPRGKRZSA-N 0 0 388.281 2.450 10 0 GEAERN Cc1cnn(CCNS(=O)(=O)c2cc(Br)c(F)cc2F)c1 ZINC000117927152 643501490 /nfs/dbraw/zinc/50/14/90/643501490.db2.gz KCCZZZRJFPJGFO-UHFFFAOYSA-N 0 0 380.214 2.211 10 0 GEAERN Cc1cnn(CCNC(=O)Cc2cc3c(cc2Br)OCCO3)c1 ZINC000117990776 643502980 /nfs/dbraw/zinc/50/29/80/643502980.db2.gz XXMIEKCSAOZMKP-UHFFFAOYSA-N 0 0 380.242 2.084 10 0 GEAERN Cc1cnn(CCNC(=O)NCC(=O)Nc2ccc(Br)c(C)c2)c1 ZINC000118068206 643504251 /nfs/dbraw/zinc/50/42/51/643504251.db2.gz JQUSPNOFTPDFSV-UHFFFAOYSA-N 0 0 394.273 2.200 10 0 GEAERN O=C(NCC1(c2ccccc2Br)CC1)N[C@@H]1CCc2ncnn2C1 ZINC000120475168 643609884 /nfs/dbraw/zinc/60/98/84/643609884.db2.gz AFZFEISDLOFVEX-GFCCVEGCSA-N 0 0 390.285 2.386 10 0 GEAERN CCCS(=O)(=O)CC(=O)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000123426105 643669807 /nfs/dbraw/zinc/66/98/07/643669807.db2.gz PLTVNBLYBNAZHN-UONOGXRCSA-N 0 0 379.400 2.165 10 0 GEAERN C[C@H](NC(=O)N(C)CC(=O)N1CCOCC1)c1ccccc1Br ZINC000123441353 643670460 /nfs/dbraw/zinc/67/04/60/643670460.db2.gz QYFMDOTVSOGZPM-LBPRGKRZSA-N 0 0 384.274 2.010 10 0 GEAERN Cn1cc(Br)cc(NC(=O)C(=O)N2CCC[C@H]2c2ccco2)c1=O ZINC000124915342 643693332 /nfs/dbraw/zinc/69/33/32/643693332.db2.gz YUHRYGBKSVALMY-LBPRGKRZSA-N 0 0 394.225 2.043 10 0 GEAERN Cn1cc(Br)cc(NC(=O)C(=O)N2CCC[C@@H]2c2ccco2)c1=O ZINC000124915106 643693537 /nfs/dbraw/zinc/69/35/37/643693537.db2.gz YUHRYGBKSVALMY-GFCCVEGCSA-N 0 0 394.225 2.043 10 0 GEAERN Cc1cc(S(=O)(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)cnc1Cl ZINC000128416320 643802032 /nfs/dbraw/zinc/80/20/32/643802032.db2.gz RAUAOTJDBOSXDA-CYBMUJFWSA-N 0 0 381.889 2.123 10 0 GEAERN C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCS[C@@H](C)C1 ZINC000128659792 643809330 /nfs/dbraw/zinc/80/93/30/643809330.db2.gz URCIEYREBFRMPU-WDEREUQCSA-N 0 0 396.456 2.336 10 0 GEAERN COC(=O)[C@H]1CN(C(=O)c2csc(I)c2)C[C@H]1C ZINC000128959083 643815914 /nfs/dbraw/zinc/81/59/14/643815914.db2.gz BRQRPZBDHFAIEZ-APPZFPTMSA-N 0 0 379.219 2.234 10 0 GEAERN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2CCCC[C@H]2O)ccc1Cl ZINC000130627769 643846043 /nfs/dbraw/zinc/84/60/43/643846043.db2.gz FCKFTONAQACTNG-LSDHHAIUSA-N 0 0 388.917 2.404 10 0 GEAERN O=C(OC[C@H]1CC(=O)N(C2CC2)C1)[C@@H]1COc2ccc(Br)cc21 ZINC000133075111 643891680 /nfs/dbraw/zinc/89/16/80/643891680.db2.gz BQKROLAAWPABFI-IINYFYTJSA-N 0 0 380.238 2.479 10 0 GEAERN CCS(=O)(=O)NCCCN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000151893966 643959282 /nfs/dbraw/zinc/95/92/82/643959282.db2.gz INBBXJFEOXGXLW-HUUCEWRRSA-N 0 0 380.432 2.143 10 0 GEAERN O=C(Cn1cc(Br)ccc1=O)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000154506770 644047623 /nfs/dbraw/zinc/04/76/23/644047623.db2.gz VNHGZNODSKOOBV-UONOGXRCSA-N 0 0 395.253 2.319 10 0 GEAERN O=C(CCNC(=O)c1ccc(Br)cc1)NC[C@@H]1CCCC[C@@H]1O ZINC000155607189 644078393 /nfs/dbraw/zinc/07/83/93/644078393.db2.gz WFBAXXGLMOOYNC-ZFWWWQNUSA-N 0 0 383.286 2.236 10 0 GEAERN CC(C)[C@H](O)CC(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000156552411 644102742 /nfs/dbraw/zinc/10/27/42/644102742.db2.gz YIEUKMTWOLUTAJ-CQSZACIVSA-N 0 0 398.301 2.428 10 0 GEAERN CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000156600095 644105999 /nfs/dbraw/zinc/10/59/99/644105999.db2.gz BJAGKCWXMSWGQN-WCQYABFASA-N 0 0 399.285 2.454 10 0 GEAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cccc(Br)c1 ZINC000157070176 644129462 /nfs/dbraw/zinc/12/94/62/644129462.db2.gz KARSBKKCQVVCHG-LBPRGKRZSA-N 0 0 385.287 2.416 10 0 GEAERN Nc1ncc(Cl)cc1S(=O)(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000158440842 644144752 /nfs/dbraw/zinc/14/47/52/644144752.db2.gz YOKYYERYSPGSEE-ZWNOBZJWSA-N 0 0 389.811 2.092 10 0 GEAERN COC(=O)[C@@H]1C[C@H]1C(=O)OCc1cccc(F)c1I ZINC000159784351 644194775 /nfs/dbraw/zinc/19/47/75/644194775.db2.gz KSNSGVSJPWXERY-RKDXNWHRSA-N 0 0 378.137 2.283 10 0 GEAERN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000162392859 644236122 /nfs/dbraw/zinc/23/61/22/644236122.db2.gz LNULOJSMKSJKAJ-IUODEOHRSA-N 0 0 383.286 2.105 10 0 GEAERN CCn1cnnc1C1CCN(C(=O)c2cc(Br)c(C)[nH]c2=O)CC1 ZINC000164229828 644260554 /nfs/dbraw/zinc/26/05/54/644260554.db2.gz ZIHPBIQCLJOAOC-UHFFFAOYSA-N 0 0 394.273 2.489 10 0 GEAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000166747859 644277973 /nfs/dbraw/zinc/27/79/73/644277973.db2.gz BNANYIZFVCTABZ-LLVKDONJSA-N 0 0 378.643 2.322 10 0 GEAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000166701813 644278003 /nfs/dbraw/zinc/27/80/03/644278003.db2.gz VGEJWSOLVRKJMU-NSHDSACASA-N 0 0 377.750 2.034 10 0 GEAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000170822042 644289531 /nfs/dbraw/zinc/28/95/31/644289531.db2.gz PTQNFTRHFUHOJI-SSDLBLMSSA-N 0 0 380.132 2.033 10 0 GEAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(I)cc1Cl ZINC000170823491 644290034 /nfs/dbraw/zinc/29/00/34/644290034.db2.gz QMDYESWNFYUNBI-QUBYGPBYSA-N 0 0 378.597 2.408 10 0 GEAERN C[C@H]1C[C@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000171070917 644305793 /nfs/dbraw/zinc/30/57/93/644305793.db2.gz DEQULHMMDFDOHC-UUIJZJDISA-N 0 0 386.901 2.276 10 0 GEAERN CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)nc2Cl)C1 ZINC000171110878 644311087 /nfs/dbraw/zinc/31/10/87/644311087.db2.gz ODIDXJPQLPIVET-SNVBAGLBSA-N 0 0 380.297 2.458 10 0 GEAERN COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000171194305 644315789 /nfs/dbraw/zinc/31/57/89/644315789.db2.gz FEFAEVCEIPYWEV-QWHCGFSZSA-N 0 0 378.226 2.442 10 0 GEAERN COC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2I)C1 ZINC000171467241 644323960 /nfs/dbraw/zinc/32/39/60/644323960.db2.gz OBNYFDKVPGFPQI-SECBINFHSA-N 0 0 391.180 2.456 10 0 GEAERN C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)CCS1 ZINC000171575353 644328290 /nfs/dbraw/zinc/32/82/90/644328290.db2.gz MMKGLRYAOLVJHA-CQSZACIVSA-N 0 0 378.519 2.472 10 0 GEAERN COc1ccc(CN2CC[C@H](N3CCOCC3)C2)c(Br)c1OC ZINC000172806849 644344948 /nfs/dbraw/zinc/34/49/48/644344948.db2.gz TWXWENQSXHAHLF-AWEZNQCLSA-N 0 0 385.302 2.373 10 0 GEAERN Brc1ccccc1-c1nnc(CN2CC[C@@H](N3CCOCC3)C2)o1 ZINC000172806915 644345004 /nfs/dbraw/zinc/34/50/04/644345004.db2.gz UUOFLDLNVQBDHH-CYBMUJFWSA-N 0 0 393.285 2.406 10 0 GEAERN CCc1nnc([C@@H]2CN(C(=O)c3cc(OC)ccc3Br)CCO2)[nH]1 ZINC000173096535 644351166 /nfs/dbraw/zinc/35/11/66/644351166.db2.gz OHVYHBIVRBTICM-ZDUSSCGKSA-N 0 0 395.257 2.352 10 0 GEAERN O=C(N[C@H]1CCc2cc(Cl)ccc21)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000175792340 644393670 /nfs/dbraw/zinc/39/36/70/644393670.db2.gz CPVCSEHGBOORSX-BBRMVZONSA-N 0 0 377.853 2.174 10 0 GEAERN C[C@H]1CN=C(N2CCN(C[C@@H](O)COCc3ccc(Cl)cc3)CC2)S1 ZINC000175801362 644394190 /nfs/dbraw/zinc/39/41/90/644394190.db2.gz PEOSZQHDSSPTMW-WMLDXEAASA-N 0 0 383.945 2.326 10 0 GEAERN O=C(N[C@@H]1CCCn2ncnc21)c1cnn(-c2ccc(Br)cc2)c1 ZINC000177566704 644418693 /nfs/dbraw/zinc/41/86/93/644418693.db2.gz MQGGZYFJFIKBDC-CQSZACIVSA-N 0 0 387.241 2.491 10 0 GEAERN CS(=O)(=O)c1cc(C(=O)N[C@H]2CCCC[C@H]2CO)ccc1Br ZINC000179250023 644454161 /nfs/dbraw/zinc/45/41/61/644454161.db2.gz AQRHBPSKIDNVMY-AAEUAGOBSA-N 0 0 390.299 2.134 10 0 GEAERN Cc1ccc(NC(=O)CS(=O)(=O)Cc2nnc(C3CC3)n2C)c(Cl)c1 ZINC000180066892 644486686 /nfs/dbraw/zinc/48/66/86/644486686.db2.gz KLGCTGGXDSFBNJ-UHFFFAOYSA-N 0 0 382.873 2.208 10 0 GEAERN C[C@@H](C(=O)Nc1cccc(Cl)c1)S(=O)(=O)Cc1nnc(C2CC2)n1C ZINC000180068035 644486786 /nfs/dbraw/zinc/48/67/86/644486786.db2.gz IGEDEGBVMMMAED-JTQLQIEISA-N 0 0 382.873 2.288 10 0 GEAERN C[C@H](C(=O)Nc1ccccc1Cl)S(=O)(=O)Cc1nnc(C2CC2)n1C ZINC000180067917 644486939 /nfs/dbraw/zinc/48/69/39/644486939.db2.gz PNEZUCFXLGWCSD-SNVBAGLBSA-N 0 0 382.873 2.288 10 0 GEAERN CC(=O)c1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2CO)ccc1Br ZINC000180452681 644504138 /nfs/dbraw/zinc/50/41/38/644504138.db2.gz DQLNGAMSHMDKNW-ABAIWWIYSA-N 0 0 390.299 2.481 10 0 GEAERN CC(C)c1nnc2n1C[C@H](NS(=O)(=O)c1cccc(Br)c1)CC2 ZINC000181732674 644945554 /nfs/dbraw/zinc/94/55/54/644945554.db2.gz JPQUOIPHGJHCFR-GFCCVEGCSA-N 0 0 399.314 2.457 10 0 GEAERN CC(C)c1nnc2n1C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)CC2 ZINC000181734320 644946353 /nfs/dbraw/zinc/94/63/53/644946353.db2.gz VLHZCKUPBFAOIV-LBPRGKRZSA-N 0 0 399.314 2.457 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H](C)Cc2ccccc2Br)CC1 ZINC000181986334 644954149 /nfs/dbraw/zinc/95/41/49/644954149.db2.gz RHEAPJKWQAADAT-HOCLYGCPSA-N 0 0 398.345 2.478 10 0 GEAERN C[C@H](NC(=O)C(=O)Nc1cncnc1N(C)C)c1cccc(Br)c1 ZINC000184432229 645017848 /nfs/dbraw/zinc/01/78/48/645017848.db2.gz FCWDOUBQBZDPHM-JTQLQIEISA-N 0 0 392.257 2.121 10 0 GEAERN CN1CCO[C@H](CNC(=O)NCc2cc3cc(Br)ccc3[nH]2)C1 ZINC000184580514 645021339 /nfs/dbraw/zinc/02/13/39/645021339.db2.gz IJDRTURHNGKATO-CQSZACIVSA-N 0 0 381.274 2.060 10 0 GEAERN O[C@@H](CN1CCO[C@@H](Cn2cccn2)C1)c1ccc(F)c(Br)c1 ZINC000185004487 645032134 /nfs/dbraw/zinc/03/21/34/645032134.db2.gz ALYZRWCBARJBCC-CJNGLKHVSA-N 0 0 384.249 2.219 10 0 GEAERN Cc1noc([C@H]2COCCN2CC(=O)Nc2ccc(Br)cc2F)n1 ZINC000185075577 645033421 /nfs/dbraw/zinc/03/34/21/645033421.db2.gz GRCSSUHLJMBLCV-CYBMUJFWSA-N 0 0 399.220 2.292 10 0 GEAERN Cc1noc([C@H]2COCCN2CC(=O)Nc2ccccc2Br)n1 ZINC000185084652 645034007 /nfs/dbraw/zinc/03/40/07/645034007.db2.gz QMNYLPDAFMBDES-CYBMUJFWSA-N 0 0 381.230 2.153 10 0 GEAERN C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000185151105 645037114 /nfs/dbraw/zinc/03/71/14/645037114.db2.gz VJGIOYGGDNTLNP-VHSXEESVSA-N 0 0 376.837 2.035 10 0 GEAERN CCO[C@H]1C[C@@H](NS(=O)(=O)c2cc(F)c(F)cc2F)C12CCOCC2 ZINC000185158374 645037679 /nfs/dbraw/zinc/03/76/79/645037679.db2.gz NROIPAABNQGMMW-CABCVRRESA-N 0 0 379.400 2.356 10 0 GEAERN Cc1cc(N2CC[C@@H](NC(=O)C[C@@H](O)C(C)C)C2=O)ccc1Br ZINC000185414574 645044063 /nfs/dbraw/zinc/04/40/63/645044063.db2.gz GJDAEVMZFQQJKC-HUUCEWRRSA-N 0 0 383.286 2.386 10 0 GEAERN Cc1cc(S(=O)(=O)N2CC(NC(=O)C3CCC3)C2)sc1Br ZINC000186172757 645061945 /nfs/dbraw/zinc/06/19/45/645061945.db2.gz LBQLSAPVUWLEHV-UHFFFAOYSA-N 0 0 393.328 2.108 10 0 GEAERN C[C@@H](NC(=O)c1c[nH]nc1-c1ccsc1)c1ccc(S(N)(=O)=O)cc1 ZINC000187190390 645084707 /nfs/dbraw/zinc/08/47/07/645084707.db2.gz DNIRIVHNPDVMQN-SNVBAGLBSA-N 0 0 376.463 2.277 10 0 GEAERN CSc1ccccc1S(=O)(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000187194092 645085310 /nfs/dbraw/zinc/08/53/10/645085310.db2.gz ALZGVWMZWIUUSF-LBPRGKRZSA-N 0 0 382.511 2.167 10 0 GEAERN COc1ccc(NC(=O)C(=O)N[C@@H](C)C(C)C)c(I)c1 ZINC000192629754 645215838 /nfs/dbraw/zinc/21/58/38/645215838.db2.gz JARNFYBYORQEBL-VIFPVBQESA-N 0 0 390.221 2.399 10 0 GEAERN C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000192843164 645224869 /nfs/dbraw/zinc/22/48/69/645224869.db2.gz BMGPWFWTYRWVHI-SNVBAGLBSA-N 0 0 385.848 2.416 10 0 GEAERN Cc1cc(NC(=O)C(=O)N2CCC[C@H]2c2cnn(C)c2)ncc1Br ZINC000193192366 645249884 /nfs/dbraw/zinc/24/98/84/645249884.db2.gz AEJLTEWASNGHIF-ZDUSSCGKSA-N 0 0 392.257 2.188 10 0 GEAERN CN(CCCNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)CC(F)(F)F ZINC000193557880 645283214 /nfs/dbraw/zinc/28/32/14/645283214.db2.gz HTIYBCOFQIAHPA-WFASDCNBSA-N 0 0 384.464 2.185 10 0 GEAERN CCn1c(C)nnc1CSc1nc2cc(S(=O)(=O)N(C)C)ccc2o1 ZINC000194669677 645341344 /nfs/dbraw/zinc/34/13/44/645341344.db2.gz FDDTWPCKTWBDTG-UHFFFAOYSA-N 0 0 381.483 2.290 10 0 GEAERN CCn1c(C)nnc1CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000194685393 645342822 /nfs/dbraw/zinc/34/28/22/645342822.db2.gz DIAUZXHWZZTZJW-INIZCTEOSA-N 0 0 392.257 2.336 10 0 GEAERN O=C(NCC[C@@H](O)c1ccccc1)c1nn2c(c1Br)OCCC2 ZINC000223789056 645387716 /nfs/dbraw/zinc/38/77/16/645387716.db2.gz GQDRBRYISKTKNL-GFCCVEGCSA-N 0 0 380.242 2.282 10 0 GEAERN COC(=O)[C@H]1CN(S(=O)(=O)c2cc(C)c(Br)s2)C[C@@H]1C ZINC000227812989 645393647 /nfs/dbraw/zinc/39/36/47/645393647.db2.gz KQGDMOUZTLWOPU-IUCAKERBSA-N 0 0 382.301 2.249 10 0 GEAERN O=C(NC[C@H]1CCCC[C@H]1O)c1cc(I)ccc1O ZINC000228128867 645395052 /nfs/dbraw/zinc/39/50/52/645395052.db2.gz VIOQSULMONAMCW-BXKDBHETSA-N 0 0 375.206 2.278 10 0 GEAERN O=C(c1ccc(I)c(O)c1)N1CCN2CCCC[C@H]2C1 ZINC000230890887 645401255 /nfs/dbraw/zinc/40/12/55/645401255.db2.gz HWKGOUVMLQLYGJ-LBPRGKRZSA-N 0 0 386.233 2.307 10 0 GEAERN O=C(N[C@@H]1CCCC[C@@H]1CO)c1ccc(I)c(O)c1 ZINC000230903241 645402051 /nfs/dbraw/zinc/40/20/51/645402051.db2.gz JSUFYFGVEHJFGM-ZYHUDNBSSA-N 0 0 375.206 2.278 10 0 GEAERN C[C@@H]1COC[C@H](C)N1C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000247068639 645502977 /nfs/dbraw/zinc/50/29/77/645502977.db2.gz SAHSFXFLGIRGGN-ZOWXZIJZSA-N 0 0 381.270 2.438 10 0 GEAERN C[C@@H]1CN([C@H](CNC(=O)c2ccc(C(N)=O)s2)c2cccs2)CCO1 ZINC000247065821 645503308 /nfs/dbraw/zinc/50/33/08/645503308.db2.gz UQKJXISPCOFSSO-VXGBXAGGSA-N 0 0 379.507 2.100 10 0 GEAERN C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247576197 645513978 /nfs/dbraw/zinc/51/39/78/645513978.db2.gz HUMWEQLJASJVKA-CZUORRHYSA-N 0 0 393.285 2.374 10 0 GEAERN COCCN1CCN([C@H](C)C(=O)Nc2ccccc2Br)C[C@@H]1C ZINC000247778034 645518178 /nfs/dbraw/zinc/51/81/78/645518178.db2.gz RFMKOAGLQNDDDM-UONOGXRCSA-N 0 0 384.318 2.429 10 0 GEAERN Cc1nnc([C@@H]2CN(C[C@@H](O)c3ccc(F)c(Br)c3)CCO2)[nH]1 ZINC000248553709 645530848 /nfs/dbraw/zinc/53/08/48/645530848.db2.gz JRTHAYUQWTXCAE-KGLIPLIRSA-N 0 0 385.237 2.122 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000262490601 645633816 /nfs/dbraw/zinc/63/38/16/645633816.db2.gz WSKIEMBSMJRGQM-UHFFFAOYSA-N 0 0 387.310 2.271 10 0 GEAERN C[C@H](C(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000262884371 645647448 /nfs/dbraw/zinc/64/74/48/645647448.db2.gz FZKSELYPLIVMAG-AAEUAGOBSA-N 0 0 389.279 2.341 10 0 GEAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NS(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000263493522 645666638 /nfs/dbraw/zinc/66/66/38/645666638.db2.gz PTNXNSXQHMWULO-UHFFFAOYSA-N 0 0 390.864 2.085 10 0 GEAERN C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1cc(Cl)ccc1I ZINC000282172498 646817880 /nfs/dbraw/zinc/81/78/80/646817880.db2.gz QWFXRPOVBQFKAX-HQJQHLMTSA-N 0 0 392.624 2.342 10 0 GEAERN CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@H]1c1ncc[nH]1 ZINC000328634263 647311368 /nfs/dbraw/zinc/31/13/68/647311368.db2.gz TXMBJHAMAWPWMX-ZDUSSCGKSA-N 0 0 375.281 2.394 10 0 GEAERN C[C@@H]1NC(=O)CC[C@H]1NCc1ncc(Br)cc1Br ZINC000392856563 647894940 /nfs/dbraw/zinc/89/49/40/647894940.db2.gz BBCLRJWDGNQQKF-OIBJUYFYSA-N 0 0 377.080 2.363 10 0 GEAERN Cc1cc(I)ccc1NC(=O)CN1C[C@@H](C)C[C@H](O)C1 ZINC000401969760 647905102 /nfs/dbraw/zinc/90/51/02/647905102.db2.gz YGHIVRVKESSWDI-GWCFXTLKSA-N 0 0 388.249 2.241 10 0 GEAERN Cc1nc([C@H](C)NC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)cs1 ZINC000669646990 652711084 /nfs/dbraw/zinc/71/10/84/652711084.db2.gz AVLUKYXKXXMTDO-LBPRGKRZSA-N 0 0 386.543 2.112 10 0 GEAERN OC[C@@H](O)CSc1ncc(C(F)(F)F)cc1I ZINC000601124013 652955076 /nfs/dbraw/zinc/95/50/76/652955076.db2.gz BMLRNERULDZVJA-ZCFIWIBFSA-N 0 0 379.141 2.150 10 0 GEAERN O=C(c1nscc1I)N1CCC(c2cc[nH]n2)CC1 ZINC000906756042 654468874 /nfs/dbraw/zinc/46/88/74/654468874.db2.gz IAKOJHCZMHHEBA-UHFFFAOYSA-N 0 0 388.234 2.491 10 0 GEAERN COC(=O)[C@@H]1C[C@H]1C(=O)N[C@H](c1nccn1C)c1ccc(Br)cc1 ZINC000912678630 654763381 /nfs/dbraw/zinc/76/33/81/654763381.db2.gz LKEVMEBTTHTTCJ-MCIONIFRSA-N 0 0 392.253 2.197 10 0 GEAERN CS(=O)(=O)Nc1cc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)ccc1Cl ZINC000151426694 531500642 /nfs/dbraw/zinc/50/06/42/531500642.db2.gz IDNVVIQNHYFRNG-GUYCJALGSA-N 0 0 386.901 2.479 10 0 GEAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1ccc(C(F)(F)F)cc1Cl ZINC000153816619 531609819 /nfs/dbraw/zinc/60/98/19/531609819.db2.gz YZUYFVGFOZJOTK-VIFPVBQESA-N 0 0 380.779 2.244 10 0 GEAERN C[C@@H](NC(=O)[C@@H]1CCCN1S(C)(=O)=O)c1ccccc1Br ZINC000025320275 531613485 /nfs/dbraw/zinc/61/34/85/531613485.db2.gz JSUSHCIKYCNKEM-MFKMUULPSA-N 0 0 375.288 2.050 10 0 GEAERN O=C(NCCNC(=O)c1cccc(Br)c1)NC[C@@H]1CCCC[C@@H]1O ZINC000154401616 531625855 /nfs/dbraw/zinc/62/58/55/531625855.db2.gz BJUAUMVOWWUWDF-ZFWWWQNUSA-N 0 0 398.301 2.029 10 0 GEAERN C[C@@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1cccc(Br)c1 ZINC000030465299 531637539 /nfs/dbraw/zinc/63/75/39/531637539.db2.gz NEUTUJUFMFRFAH-BMLIUANNSA-N 0 0 394.269 2.347 10 0 GEAERN CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000155270357 531670598 /nfs/dbraw/zinc/67/05/98/531670598.db2.gz UIVRYJYDGFLKNK-GXFFZTMASA-N 0 0 385.258 2.470 10 0 GEAERN CCn1cnnc1[C@@H]1CCCN([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000155431750 531684106 /nfs/dbraw/zinc/68/41/06/531684106.db2.gz NDIBXZDODWYCHP-HIFRSBDPSA-N 0 0 392.301 2.467 10 0 GEAERN C[C@@H](NC(=O)NCCC(=O)N1CCOCC1)c1ccccc1Br ZINC000047913858 531724175 /nfs/dbraw/zinc/72/41/75/531724175.db2.gz WGKGEKLMMWIFRC-GFCCVEGCSA-N 0 0 384.274 2.058 10 0 GEAERN Cn1cc([C@@H]2CCCN2C(=O)Nc2cc(Br)c(=O)n(C)c2)cn1 ZINC000156207995 531721695 /nfs/dbraw/zinc/72/16/95/531721695.db2.gz NDGBVWVOVOHMKV-ZDUSSCGKSA-N 0 0 380.246 2.250 10 0 GEAERN CCc1nnc([C@H]2CN(C(=O)Cc3ccc(Br)c(F)c3)CCO2)[nH]1 ZINC000157591635 531746269 /nfs/dbraw/zinc/74/62/69/531746269.db2.gz XBEVXJWMSHGWFC-CYBMUJFWSA-N 0 0 397.248 2.411 10 0 GEAERN CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2COc3ccccc32)ccc1Cl ZINC000058729154 531834806 /nfs/dbraw/zinc/83/48/06/531834806.db2.gz WSAQUAWKDXLVJU-CQSZACIVSA-N 0 0 380.853 2.454 10 0 GEAERN COC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000162750557 531849149 /nfs/dbraw/zinc/84/91/49/531849149.db2.gz WIUCFCZEXJKFBW-LLVKDONJSA-N 0 0 389.633 2.205 10 0 GEAERN C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c2ccccc21 ZINC000162318584 531842456 /nfs/dbraw/zinc/84/24/56/531842456.db2.gz ZJZFICPWBAHEKV-SJCJKPOMSA-N 0 0 380.491 2.251 10 0 GEAERN COC(=O)[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(Br)cc1C ZINC000163571543 531861008 /nfs/dbraw/zinc/86/10/08/531861008.db2.gz UXDYIZXRSFKYFP-CYBMUJFWSA-N 0 0 383.242 2.250 10 0 GEAERN COC(=O)[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(Br)c(F)c1 ZINC000163576041 531861049 /nfs/dbraw/zinc/86/10/49/531861049.db2.gz BQAMZMJLWGNCTB-GFCCVEGCSA-N 0 0 387.205 2.081 10 0 GEAERN COC(=O)[C@H]1CCCCN1C(=O)C(=O)Nc1cccc(C)c1Br ZINC000163577260 531861575 /nfs/dbraw/zinc/86/15/75/531861575.db2.gz CJKDWVYIORKBOO-GFCCVEGCSA-N 0 0 383.242 2.250 10 0 GEAERN CCN(CC)S(=O)(=O)N[C@@H](CC(=O)OC)c1cccc(Br)c1 ZINC000068961029 531906796 /nfs/dbraw/zinc/90/67/96/531906796.db2.gz PQSJNBQVZVZFRC-ZDUSSCGKSA-N 0 0 393.303 2.230 10 0 GEAERN O=C(NCCS(=O)(=O)NCC1CCC1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000069046501 531909146 /nfs/dbraw/zinc/90/91/46/531909146.db2.gz HXAMUAYVXZZPBD-OLZOCXBDSA-N 0 0 385.452 2.126 10 0 GEAERN O=C(CN1CCO[C@H](c2nccs2)C1)NCCOc1cccc(Cl)c1 ZINC000171663183 531909969 /nfs/dbraw/zinc/90/99/69/531909969.db2.gz SGHIQYSCGVCCEW-HNNXBMFYSA-N 0 0 381.885 2.365 10 0 GEAERN CSc1ncc(Cl)c(C(=O)N2CCN([C@@H](C)c3nc(C)no3)CC2)n1 ZINC000171856552 531920908 /nfs/dbraw/zinc/92/09/08/531920908.db2.gz VFUTWNUZDNDHFW-VIFPVBQESA-N 0 0 382.877 2.062 10 0 GEAERN COC(=O)C[C@H](NC(=O)[C@@H](C)n1cncn1)c1cccc(Br)c1 ZINC000171929808 531925069 /nfs/dbraw/zinc/92/50/69/531925069.db2.gz IFGCZAOUORXJLV-MFKMUULPSA-N 0 0 381.230 2.022 10 0 GEAERN CC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)Oc2ccc(F)cc2Br)C1 ZINC000071933660 531915730 /nfs/dbraw/zinc/91/57/30/531915730.db2.gz WZCAJFSMGGQTOI-GXFFZTMASA-N 0 0 387.249 2.483 10 0 GEAERN CC(C)n1nnnc1CS(=O)(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000105715189 531940687 /nfs/dbraw/zinc/94/06/87/531940687.db2.gz VJMDDKMFCDAVQZ-UHFFFAOYSA-N 0 0 389.268 2.324 10 0 GEAERN C[C@@H](NC(=O)Cn1ncn2nccc2c1=O)c1c(Cl)ccc(F)c1Cl ZINC000112237917 531945385 /nfs/dbraw/zinc/94/53/85/531945385.db2.gz DVCZJJLSARMKSV-MRVPVSSYSA-N 0 0 384.198 2.214 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(OC)ccc1Br)CC2 ZINC000114864904 531957607 /nfs/dbraw/zinc/95/76/07/531957607.db2.gz FHYCJUGEAGWRLY-JTQLQIEISA-N 0 0 379.258 2.356 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc(C[S@](C)=O)c1C ZINC000116690278 531960396 /nfs/dbraw/zinc/96/03/96/531960396.db2.gz FAZCSEBTLCENNO-UPCLLVRISA-N 0 0 386.539 2.016 10 0 GEAERN C[C@@H](Oc1cccc(Br)c1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172758673 531967038 /nfs/dbraw/zinc/96/70/38/531967038.db2.gz NABOJNQQUMNLPM-HIFRSBDPSA-N 0 0 383.286 2.150 10 0 GEAERN Cc1oc(C(=O)N[C@H](C)c2ccccc2Br)cc1S(N)(=O)=O ZINC000120155014 531975285 /nfs/dbraw/zinc/97/52/85/531975285.db2.gz QFMXDWRTRUOSFP-MRVPVSSYSA-N 0 0 387.255 2.489 10 0 GEAERN C[C@H](COCc1ccccc1)NC(=O)Cn1cc(Br)ccc1=O ZINC000172963857 531976056 /nfs/dbraw/zinc/97/60/56/531976056.db2.gz KBTXSNMQLQOXRI-CYBMUJFWSA-N 0 0 379.254 2.332 10 0 GEAERN C[C@H](N[C@@H](C(N)=O)c1ccc(Br)cc1)c1nnc2n1CCCC2 ZINC000173625695 532022643 /nfs/dbraw/zinc/02/26/43/532022643.db2.gz AVGHAMVIIMNQAG-IINYFYTJSA-N 0 0 378.274 2.254 10 0 GEAERN CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@H]2CCCC[C@H]2O)cc1Cl ZINC000121357515 532025731 /nfs/dbraw/zinc/02/57/31/532025731.db2.gz WVPQKNKYTOKFFS-QMTHXVAHSA-N 0 0 378.853 2.267 10 0 GEAERN Cc1ccc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)cc1Br ZINC000173695098 532027726 /nfs/dbraw/zinc/02/77/26/532027726.db2.gz TWTBRBITCNIWDE-ZDUSSCGKSA-N 0 0 392.257 2.151 10 0 GEAERN Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000173696255 532027893 /nfs/dbraw/zinc/02/78/93/532027893.db2.gz JYHVUOPZEMXCBU-ZDUSSCGKSA-N 0 0 392.257 2.151 10 0 GEAERN Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)cc1Br ZINC000173695113 532027917 /nfs/dbraw/zinc/02/79/17/532027917.db2.gz TWTBRBITCNIWDE-CYBMUJFWSA-N 0 0 392.257 2.151 10 0 GEAERN O=C(NCc1cc(F)ccc1Br)N1CC[C@H](N2CCOCC2)C1 ZINC000173781386 532031830 /nfs/dbraw/zinc/03/18/30/532031830.db2.gz PSMWZWCQKZWVOO-AWEZNQCLSA-N 0 0 386.265 2.204 10 0 GEAERN C[C@H]1CN(C(=O)c2cc(Br)cnc2Cl)C[C@@H]1N1CCOCC1 ZINC000173819710 532035459 /nfs/dbraw/zinc/03/54/59/532035459.db2.gz MZYSHAXCYWDDQT-GWCFXTLKSA-N 0 0 388.693 2.290 10 0 GEAERN Cc1nnc([C@@H]2CN(Cc3cc4c(c(Br)c3)OCO4)CCO2)[nH]1 ZINC000174098748 532048697 /nfs/dbraw/zinc/04/86/97/532048697.db2.gz JYOVVBRNILPVHF-ZDUSSCGKSA-N 0 0 381.230 2.178 10 0 GEAERN C[C@@H](O)CN1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)C[C@@H]1C ZINC000174290523 532059248 /nfs/dbraw/zinc/05/92/48/532059248.db2.gz XMBROXJEXDGSIF-UONOGXRCSA-N 0 0 381.314 2.394 10 0 GEAERN C[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)C[C@H](C)O1 ZINC000122682965 532080375 /nfs/dbraw/zinc/08/03/75/532080375.db2.gz BWGKGPUOTKEHQO-YUMQZZPRSA-N 0 0 377.185 2.302 10 0 GEAERN Cc1ccc(OCCC(=O)NC[C@@H](C)N2CCOCC2)c(Br)c1 ZINC000123538985 532101570 /nfs/dbraw/zinc/10/15/70/532101570.db2.gz ZONOJEFZKIQAGH-CQSZACIVSA-N 0 0 385.302 2.363 10 0 GEAERN COCCn1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2Br)n1 ZINC000123493492 532100596 /nfs/dbraw/zinc/10/05/96/532100596.db2.gz SSCQZOGDGBLZAW-LLVKDONJSA-N 0 0 395.257 2.108 10 0 GEAERN Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)o1 ZINC000124543045 532124103 /nfs/dbraw/zinc/12/41/03/532124103.db2.gz XCWRGBUJZUMATB-LBPRGKRZSA-N 0 0 384.479 2.068 10 0 GEAERN C[C@@H]1CN(C(=O)NCc2ccc(Br)s2)C[C@@H]1N1CCOCC1 ZINC000175684148 532112342 /nfs/dbraw/zinc/11/23/42/532112342.db2.gz CRFVPXJDIQHVOS-YPMHNXCESA-N 0 0 388.331 2.373 10 0 GEAERN C[C@@H]1CN(C(=O)NCc2ccccc2Br)C[C@H]1N1CCOCC1 ZINC000175728296 532112867 /nfs/dbraw/zinc/11/28/67/532112867.db2.gz VPGQGSCHHLDPSE-CZUORRHYSA-N 0 0 382.302 2.311 10 0 GEAERN COC(=O)C[C@@H]1CN(C(=O)N[C@H](C)c2cccc(Br)c2)CCO1 ZINC000175753781 532113283 /nfs/dbraw/zinc/11/32/83/532113283.db2.gz BCTGTSWBVZXASF-BXUZGUMPSA-N 0 0 385.258 2.484 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000176288834 532133667 /nfs/dbraw/zinc/13/36/67/532133667.db2.gz YPBBMJVNDHXJOJ-GFCCVEGCSA-N 0 0 375.230 2.490 10 0 GEAERN O=C(CNC(=O)N[C@H]1CCCn2ncnc21)Nc1cc(Cl)ccc1Cl ZINC000176345271 532135222 /nfs/dbraw/zinc/13/52/22/532135222.db2.gz AMVYQIAKIRNEFU-NSHDSACASA-N 0 0 383.239 2.358 10 0 GEAERN COc1ccc(C(=O)NCCn2cc(C)cn2)c(I)c1 ZINC000125523411 532137433 /nfs/dbraw/zinc/13/74/33/532137433.db2.gz ZYOFCZZAARYTGZ-UHFFFAOYSA-N 0 0 385.205 2.235 10 0 GEAERN Cc1cnn(C[C@@H]2CN(C(=O)Nc3cncc(Br)c3)CCO2)c1 ZINC000126743602 532150892 /nfs/dbraw/zinc/15/08/92/532150892.db2.gz ZAVNUSUREDQKPB-AWEZNQCLSA-N 0 0 380.246 2.282 10 0 GEAERN C[C@@H]1CN(C(=O)c2cccn3c(I)cnc23)C[C@@H](C)O1 ZINC000176758886 532148188 /nfs/dbraw/zinc/14/81/88/532148188.db2.gz NPNKKQIZEXHOHZ-NXEZZACHSA-N 0 0 385.205 2.188 10 0 GEAERN Cc1cc(NC(=O)CN2C[C@@H](C)[C@H](N3CCOCC3)C2)ccc1Br ZINC000177279991 532167517 /nfs/dbraw/zinc/16/75/17/532167517.db2.gz XZRWXLSCLOHVRS-RHSMWYFYSA-N 0 0 396.329 2.349 10 0 GEAERN C[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C[C@@H]1N1CCOCC1 ZINC000176996543 532158383 /nfs/dbraw/zinc/15/83/83/532158383.db2.gz ZQAQLDLHEICTNK-LRDDRELGSA-N 0 0 393.336 2.476 10 0 GEAERN C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C[C@@H]1N1CCOCC1 ZINC000176996324 532158916 /nfs/dbraw/zinc/15/89/16/532158916.db2.gz AAORCLSNRFLZBB-WFASDCNBSA-N 0 0 378.416 2.047 10 0 GEAERN COc1cc(NC(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)ccc1Br ZINC000177126539 532162642 /nfs/dbraw/zinc/16/26/42/532162642.db2.gz HRDOGXDZEUHUFK-ZDUSSCGKSA-N 0 0 396.245 2.490 10 0 GEAERN CC[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)CCN1C[C@@H](C)O ZINC000177615446 532177889 /nfs/dbraw/zinc/17/78/89/532177889.db2.gz NXOMPFLNHPHKQF-YPMHNXCESA-N 0 0 388.295 2.236 10 0 GEAERN O=C(N[C@@H]1CCCn2ncnc21)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000177542963 532175292 /nfs/dbraw/zinc/17/52/92/532175292.db2.gz UFEXTBPLRMKTDS-CYBMUJFWSA-N 0 0 388.225 2.147 10 0 GEAERN CCOc1ccc(S(=O)(=O)NCCn2cc(C)cn2)cc1Br ZINC000130234432 532190299 /nfs/dbraw/zinc/19/02/99/532190299.db2.gz JAFFMWPNEMWTBA-UHFFFAOYSA-N 0 0 388.287 2.331 10 0 GEAERN Cc1cc(NC(=O)C(=O)N[C@@H]2C[C@@H]2C)n(-c2cccc(Br)c2)n1 ZINC000132003729 532207849 /nfs/dbraw/zinc/20/78/49/532207849.db2.gz IMTIJLPKQQFIJF-TVQRCGJNSA-N 0 0 377.242 2.406 10 0 GEAERN CNC(=O)[C@H](NC(=O)c1cnn(-c2ccc(Br)cc2)c1)C(C)C ZINC000178699375 532209941 /nfs/dbraw/zinc/20/99/41/532209941.db2.gz DMZWKBFPYMXJIU-CQSZACIVSA-N 0 0 379.258 2.135 10 0 GEAERN COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1Cl ZINC000133257530 532230564 /nfs/dbraw/zinc/23/05/64/532230564.db2.gz RXTLQEXSJROHPD-NSHDSACASA-N 0 0 383.857 2.038 10 0 GEAERN CC(C)c1nnc2n1C[C@H](N[C@H](C(N)=O)c1cccc(Br)c1)CC2 ZINC000179220581 532225231 /nfs/dbraw/zinc/22/52/31/532225231.db2.gz VMHBPIUEXJKNEE-HIFRSBDPSA-N 0 0 392.301 2.295 10 0 GEAERN COc1cccc(Cl)c1CC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000133712880 532241596 /nfs/dbraw/zinc/24/15/96/532241596.db2.gz HJHDZUZMWOVVFJ-LLVKDONJSA-N 0 0 382.869 2.416 10 0 GEAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000180309640 532266914 /nfs/dbraw/zinc/26/69/14/532266914.db2.gz OEYZYFDYDYXKQM-ZYHUDNBSSA-N 0 0 377.869 2.263 10 0 GEAERN CN1CCO[C@@H](CNC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000135154964 532267966 /nfs/dbraw/zinc/26/79/66/532267966.db2.gz LJQFVJRWEFZGCS-DLBZAZTESA-N 0 0 396.329 2.033 10 0 GEAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCCNc1cccc(Br)c1 ZINC000180359134 532268756 /nfs/dbraw/zinc/26/87/56/532268756.db2.gz SUXCQFLWOLEEIE-LLVKDONJSA-N 0 0 380.242 2.389 10 0 GEAERN C[C@H](NC(=O)c1cc(Br)cnc1N(C)C)c1nnc2n1CCCC2 ZINC000135234311 532269362 /nfs/dbraw/zinc/26/93/62/532269362.db2.gz PDZBAUZOAFRCCD-JTQLQIEISA-N 0 0 393.289 2.329 10 0 GEAERN O=S(=O)(c1ccc(Br)s1)N1CCC[C@H](Cn2cncn2)C1 ZINC000180980255 532287602 /nfs/dbraw/zinc/28/76/02/532287602.db2.gz YGGPEWJKYFECNO-SNVBAGLBSA-N 0 0 391.316 2.203 10 0 GEAERN Cc1ccc(N2CCCN(C(=O)c3cccc(Br)n3)CC2)nn1 ZINC000137055763 532288276 /nfs/dbraw/zinc/28/82/76/532288276.db2.gz JFKCDBSNQGUHJP-UHFFFAOYSA-N 0 0 376.258 2.295 10 0 GEAERN Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)o1 ZINC000135419520 532274037 /nfs/dbraw/zinc/27/40/37/532274037.db2.gz UGDWOUMUWHEJIB-JTQLQIEISA-N 0 0 376.431 2.138 10 0 GEAERN C[C@H](NC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1)c1cccs1 ZINC000181360714 532296406 /nfs/dbraw/zinc/29/64/06/532296406.db2.gz RRMLYWZKWFRPBH-QMMMGPOBSA-N 0 0 384.255 2.025 10 0 GEAERN CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccc(Cl)s2)c1 ZINC000145491110 532297662 /nfs/dbraw/zinc/29/76/62/532297662.db2.gz MHOJDLGGQSYWPL-VIFPVBQESA-N 0 0 394.927 2.349 10 0 GEAERN CN(C)S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2c2nccs2)n(C)c1 ZINC000181516663 532300492 /nfs/dbraw/zinc/30/04/92/532300492.db2.gz AYAMRARRAAHYHM-ZDUSSCGKSA-N 0 0 382.511 2.099 10 0 GEAERN O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000151136425 532307045 /nfs/dbraw/zinc/30/70/45/532307045.db2.gz KVACGRSLLLBWRE-OAHLLOKOSA-N 0 0 390.292 2.421 10 0 GEAERN C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)nc1)c1nnc2n1CCCC2 ZINC000182133769 532309665 /nfs/dbraw/zinc/30/96/65/532309665.db2.gz PQACXNLIFKOMQV-VIFPVBQESA-N 0 0 375.376 2.068 10 0 GEAERN Cc1cc(NC(=O)N2CCO[C@@H](Cn3cccn3)C2)cnc1Br ZINC000182415765 532312636 /nfs/dbraw/zinc/31/26/36/532312636.db2.gz SQHSBTGBWBSZET-CYBMUJFWSA-N 0 0 380.246 2.282 10 0 GEAERN COCC(=O)N[C@H]1CCN2C(=O)c3cc(-c4cccs4)ccc3NC(=O)[C@@H]2C1 ZINC000008300217 291115582 /nfs/dbraw/zinc/11/55/82/291115582.db2.gz BYJOHFPZYMGZKN-BBRMVZONSA-N 0 0 399.472 2.103 10 0 GEAERN Cc1noc([C@@H]2COCCN2C(=O)Cc2ccc(Br)c(F)c2)n1 ZINC000182820975 532318348 /nfs/dbraw/zinc/31/83/48/532318348.db2.gz OACCVMJPINSNRG-ZDUSSCGKSA-N 0 0 384.205 2.422 10 0 GEAERN CCn1cnnc1[C@@H]1CCCN(C(=O)c2ccc(OC)c(Br)n2)C1 ZINC000183049576 532321248 /nfs/dbraw/zinc/32/12/48/532321248.db2.gz QPIKNUCYLSCQLR-LLVKDONJSA-N 0 0 394.273 2.484 10 0 GEAERN COc1ccc(C(=O)N[C@H](C)c2nnc3n2CCCC3)nc1Br ZINC000183275689 532322639 /nfs/dbraw/zinc/32/26/39/532322639.db2.gz BQGWWIYOEXDFJZ-SECBINFHSA-N 0 0 380.246 2.272 10 0 GEAERN CSc1ccc(S(=O)(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1Cl ZINC000185624168 532338128 /nfs/dbraw/zinc/33/81/28/532338128.db2.gz MTUODIGPCMNETH-LBPRGKRZSA-N 0 0 387.914 2.348 10 0 GEAERN COc1cc(Br)cc(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000185686789 532338503 /nfs/dbraw/zinc/33/85/03/532338503.db2.gz WCOOTWZZSONQHX-CYBMUJFWSA-N 0 0 389.315 2.317 10 0 GEAERN C[C@H]1CN([C@@H](CNS(=O)(=O)c2ccc(N)cc2)c2cccs2)CCO1 ZINC000186136043 532339934 /nfs/dbraw/zinc/33/99/34/532339934.db2.gz YQRGMWDVCPOBSW-BBRMVZONSA-N 0 0 381.523 2.071 10 0 GEAERN COCC(=O)NC1CN(C(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)C1 ZINC000188195162 532347310 /nfs/dbraw/zinc/34/73/10/532347310.db2.gz SPHQYKRSTXFNAI-MRVPVSSYSA-N 0 0 378.231 2.350 10 0 GEAERN COCC(=O)NC1CN(C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)C1 ZINC000188195137 532347326 /nfs/dbraw/zinc/34/73/26/532347326.db2.gz SPHQYKRSTXFNAI-QMMMGPOBSA-N 0 0 378.231 2.350 10 0 GEAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cccc(Br)n1 ZINC000188574886 532348697 /nfs/dbraw/zinc/34/86/97/532348697.db2.gz JSWLGXXOUJTJBJ-SECBINFHSA-N 0 0 381.234 2.239 10 0 GEAERN Cc1c(C(=O)N2CCCNC(=O)[C@H]2C)cnn1-c1ccc(Br)cc1 ZINC000188924458 532350243 /nfs/dbraw/zinc/35/02/43/532350243.db2.gz JJQZKYJXURKKQQ-GFCCVEGCSA-N 0 0 391.269 2.294 10 0 GEAERN Cc1ccc(N2CCCN(C(=O)c3ncc(Br)s3)CC2)nn1 ZINC000189000276 532350527 /nfs/dbraw/zinc/35/05/27/532350527.db2.gz LORICAIQBZPQNU-UHFFFAOYSA-N 0 0 382.287 2.357 10 0 GEAERN Cc1noc([C@@H]2COCCN2C(=O)c2cc(Br)ncc2Cl)n1 ZINC000188992658 532350547 /nfs/dbraw/zinc/35/05/47/532350547.db2.gz NFBRNMLOBODHDL-JTQLQIEISA-N 0 0 387.621 2.403 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2cc(Cl)c(C)c(Cl)c2)CC1 ZINC000189453171 532352334 /nfs/dbraw/zinc/35/23/34/532352334.db2.gz SUFILIZJBJRLGV-ZDUSSCGKSA-N 0 0 388.295 2.155 10 0 GEAERN Cc1csc(C(=O)NC[C@H](C)N2CCOCC2)c1I ZINC000189507029 532352494 /nfs/dbraw/zinc/35/24/94/532352494.db2.gz SBCYNQOGFNMSSV-JTQLQIEISA-N 0 0 394.278 2.112 10 0 GEAERN Cc1csc(C(=O)NC[C@@H](C)N2CCOCC2)c1I ZINC000189507009 532352553 /nfs/dbraw/zinc/35/25/53/532352553.db2.gz SBCYNQOGFNMSSV-SNVBAGLBSA-N 0 0 394.278 2.112 10 0 GEAERN CCn1cc(CN2CCCN(S(=O)(=O)CCc3cccs3)CC2)cn1 ZINC000189614606 532353049 /nfs/dbraw/zinc/35/30/49/532353049.db2.gz SBSTWHGARCFLTD-UHFFFAOYSA-N 0 0 382.555 2.045 10 0 GEAERN COc1cc(C)c(Br)cc1NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000190405716 532355845 /nfs/dbraw/zinc/35/58/45/532355845.db2.gz NYTFQTDMPLNRMB-JTQLQIEISA-N 0 0 380.246 2.494 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cc(C)cc(Br)c1 ZINC000187442238 532344415 /nfs/dbraw/zinc/34/44/15/532344415.db2.gz HQJXCULFCPUIAH-CYBMUJFWSA-N 0 0 385.287 2.471 10 0 GEAERN C[S@](=O)c1ccc(CNC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000187469471 532344578 /nfs/dbraw/zinc/34/45/78/532344578.db2.gz CRFHPKJOHKOUAO-RTNKVPBISA-N 0 0 378.519 2.403 10 0 GEAERN O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187717225 532345324 /nfs/dbraw/zinc/34/53/24/532345324.db2.gz ORGIDSXZNWLADF-BBRMVZONSA-N 0 0 399.921 2.410 10 0 GEAERN C[C@H](CNC(=O)N1CCCNC(=O)[C@@H]1C)Oc1ccccc1Br ZINC000191439499 532360978 /nfs/dbraw/zinc/36/09/78/532360978.db2.gz BTTMDOBOJOFVLB-NEPJUHHUSA-N 0 0 384.274 2.136 10 0 GEAERN CCN(CC(=O)OC(C)(C)C)C1CCN(S(=O)(=O)CCC(C)C)CC1 ZINC000192215947 532395359 /nfs/dbraw/zinc/39/53/59/532395359.db2.gz AQHRGROEGJPPKE-UHFFFAOYSA-N 0 0 376.563 2.490 10 0 GEAERN CC[C@H](C)CS(=O)(=O)N1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000192232299 532396854 /nfs/dbraw/zinc/39/68/54/532396854.db2.gz URFAWGHMBJENRV-HOTGVXAUSA-N 0 0 376.563 2.490 10 0 GEAERN CCCCOC[C@H](O)Cn1nnc(-c2cc(OC)ccc2Br)n1 ZINC000193375488 532421811 /nfs/dbraw/zinc/42/18/11/532421811.db2.gz UCSNOHKPMDHDLU-LLVKDONJSA-N 0 0 385.262 2.289 10 0 GEAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000193533904 532425904 /nfs/dbraw/zinc/42/59/04/532425904.db2.gz UYSDKENALRIDJP-GFCCVEGCSA-N 0 0 388.295 2.041 10 0 GEAERN Cc1noc([C@H]2COCCN2C(=O)[C@@H]2Cc3cc(Br)ccc3O2)n1 ZINC000193641856 532426882 /nfs/dbraw/zinc/42/68/82/532426882.db2.gz UHRMSYIGDGICKI-OCCSQVGLSA-N 0 0 394.225 2.044 10 0 GEAERN C[C@@H](C(=O)N(C)C)S(=O)(=O)N1C[C@H](c2ccccc2Cl)OCC1(C)C ZINC000193916173 532436441 /nfs/dbraw/zinc/43/64/41/532436441.db2.gz TZYBVPXDFAYKDK-SWLSCSKDSA-N 0 0 388.917 2.298 10 0 GEAERN CC[C@@H](NC(=O)C[S@@](=O)Cc1nnnn1C(C)C)c1ccc(Cl)cc1 ZINC000194270343 532446178 /nfs/dbraw/zinc/44/61/78/532446178.db2.gz JFCGOWUKZAMTGQ-PWECECGKSA-N 0 0 383.905 2.424 10 0 GEAERN CCN(CC)C(=O)C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000195480804 532478409 /nfs/dbraw/zinc/47/84/09/532478409.db2.gz DITHAVFBOXMTSW-UHFFFAOYSA-N 0 0 382.148 2.376 10 0 GEAERN C[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C[C@H]1N1CCOCC1 ZINC000246557356 532541046 /nfs/dbraw/zinc/54/10/46/532541046.db2.gz RIUSUICIYLTQQA-XHDPSFHLSA-N 0 0 379.309 2.335 10 0 GEAERN C[C@H]1CN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C[C@H]1N1CCOCC1 ZINC000246639677 532542031 /nfs/dbraw/zinc/54/20/31/532542031.db2.gz ZHCIUBOZIOEHSN-BLLLJJGKSA-N 0 0 393.336 2.476 10 0 GEAERN COC(=O)[C@H](c1cccc(Br)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000245910993 532525784 /nfs/dbraw/zinc/52/57/84/532525784.db2.gz MKWBIQZHTCOYGA-CVEARBPZSA-N 0 0 394.269 2.261 10 0 GEAERN C[C@@H]1CCCN(S(=O)(=O)NC[C@H](c2cccs2)N2CCO[C@H](C)C2)C1 ZINC000248342949 532551191 /nfs/dbraw/zinc/55/11/91/532551191.db2.gz JWNZMOPKKQYKOL-BZUAXINKSA-N 0 0 387.571 2.076 10 0 GEAERN CSc1ccc(S(=O)(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)cc1Cl ZINC000248645469 532553767 /nfs/dbraw/zinc/55/37/67/532553767.db2.gz ONGQNUCKZSFWPO-NEPJUHHUSA-N 0 0 378.947 2.138 10 0 GEAERN CSc1ccc(S(=O)(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1Cl ZINC000248649311 532554026 /nfs/dbraw/zinc/55/40/26/532554026.db2.gz RJGDCODQHQWSNB-IUODEOHRSA-N 0 0 390.958 2.403 10 0 GEAERN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000247979343 532549689 /nfs/dbraw/zinc/54/96/89/532549689.db2.gz IERIVSIMFFJJAS-YRGRVCCFSA-N 0 0 378.416 2.377 10 0 GEAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)Cc2cccc(Br)c2)C1 ZINC000262688672 532597771 /nfs/dbraw/zinc/59/77/71/532597771.db2.gz BPQCPOCHPTVPFF-UHFFFAOYSA-N 0 0 395.297 2.435 10 0 GEAERN C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262899876 532607128 /nfs/dbraw/zinc/60/71/28/532607128.db2.gz HZVYMSWDHFVRLA-TZMCWYRMSA-N 0 0 386.901 2.064 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NCCc2ccccc2Br)C1 ZINC000263000763 532611182 /nfs/dbraw/zinc/61/11/82/532611182.db2.gz MTXUTZODIHPOBK-UHFFFAOYSA-N 0 0 398.301 2.228 10 0 GEAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(c2ccnc3cc(Br)ccc32)CCO1 ZINC000263396442 532624012 /nfs/dbraw/zinc/62/40/12/532624012.db2.gz HTDXZYBEETWXGK-CYBMUJFWSA-N 0 0 394.269 2.219 10 0 GEAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)c2ncsc2C(F)(F)F)C1 ZINC000263392289 532624623 /nfs/dbraw/zinc/62/46/23/532624623.db2.gz DUVGGECMSKQLJU-UHFFFAOYSA-N 0 0 377.388 2.219 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Nc2nnc(-c3ccsc3)s2)C1 ZINC000263473012 532626678 /nfs/dbraw/zinc/62/66/78/532626678.db2.gz IKETWGXOKFXRRW-UHFFFAOYSA-N 0 0 381.483 2.326 10 0 GEAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(Cc2cc(Cl)ccc2Br)CCO1 ZINC000263506493 532628418 /nfs/dbraw/zinc/62/84/18/532628418.db2.gz MFKKPQHWCMXTLV-CYBMUJFWSA-N 0 0 391.693 2.320 10 0 GEAERN Cn1ncc(N2CCC(COc3ccccn3)CC2)c(Br)c1=O ZINC000301571973 532755214 /nfs/dbraw/zinc/75/52/14/532755214.db2.gz OHMQXJHWSPUZHQ-UHFFFAOYSA-N 0 0 379.258 2.233 10 0 GEAERN Cc1cc(C)c(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c(C)c1 ZINC000005255825 209122721 /nfs/dbraw/zinc/12/27/21/209122721.db2.gz KSVUASFNYYITBY-UHFFFAOYSA-N 0 0 384.484 2.214 10 0 GEAERN C[NH2+]C[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C1 ZINC000005852404 206293161 /nfs/dbraw/zinc/29/31/61/206293161.db2.gz XKGVOPJHIWQLRX-JTQLQIEISA-N 0 0 377.391 2.359 10 0 GEAERN OCCOCCN1CCN([C@H](c2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000033505730 206304224 /nfs/dbraw/zinc/30/42/24/206304224.db2.gz CQMJYIJMUFRNKJ-HXUWFJFHSA-N 0 0 375.900 2.451 10 0 in-man GEAERN CCOC(=O)C(C=Nc1cc(OC)nc(OC)n1)C(=O)Nc1ccc(C)cc1 ZINC000033895457 206305678 /nfs/dbraw/zinc/30/56/78/206305678.db2.gz GGZXCCIHMGYHCT-SDNWHVSQSA-N 0 0 386.408 2.300 10 0 GEAERN O=C(CSc1ccccc1)Nc1cnn(CC(=O)NCCc2ccncc2)c1 ZINC000012098390 206856143 /nfs/dbraw/zinc/85/61/43/206856143.db2.gz GSNZSINEWMVKSR-UHFFFAOYSA-N 0 0 395.488 2.368 10 0 GEAERN COc1ccc(N2C(=O)CCCC2=O)cc1S(=O)(=O)N1CCC[C@H](C)C1 ZINC000012203450 206870049 /nfs/dbraw/zinc/87/00/49/206870049.db2.gz YRUWXRWGJUPJDC-ZDUSSCGKSA-N 0 0 380.466 2.159 10 0 GEAERN O=C(c1nn(Cc2ccccc2)c2c1CN(Cc1cn[nH]c1)CC2)N1CCCC1 ZINC000014540294 207023550 /nfs/dbraw/zinc/02/35/50/207023550.db2.gz VQRDQNXUJROGLA-UHFFFAOYSA-N 0 0 390.491 2.449 10 0 GEAERN Cc1cccc2cc(CN(C[C@H]3CCCO3)C(=O)CCC(N)=O)c(N(C)C)nc12 ZINC000014986424 207039308 /nfs/dbraw/zinc/03/93/08/207039308.db2.gz UQKGSKOPEZDRII-GOSISDBHSA-N 0 0 398.507 2.382 10 0 GEAERN CCCS(=O)(=O)NCc1c(C)ncc2c1CCN(C(=O)/C=C/C(C)C)C2 ZINC000014999859 207040005 /nfs/dbraw/zinc/04/00/05/207040005.db2.gz YEMDFZMOGAPNGI-VOTSOKGWSA-N 0 0 379.526 2.316 10 0 GEAERN COc1cccc(C(=O)Nc2nnc(-c3nc4ccccc4n(C)c3=O)o2)c1 ZINC000015869090 207065940 /nfs/dbraw/zinc/06/59/40/207065940.db2.gz YXFHZMOVKQLTAR-UHFFFAOYSA-N 0 0 377.360 2.244 10 0 GEAERN O=C(Cn1nc(Cc2ccncc2)c2ccccc2c1=O)Nc1nccs1 ZINC000020860039 207216212 /nfs/dbraw/zinc/21/62/12/207216212.db2.gz DQRONKZMOBLBKF-UHFFFAOYSA-N 0 0 377.429 2.478 10 0 GEAERN Cc1cccc(CSc2nnc(Nc3ccc4c(c3)OCO4)c(=O)n2N)c1 ZINC000028536478 207344244 /nfs/dbraw/zinc/34/42/44/207344244.db2.gz HSEQBYHWODONBD-UHFFFAOYSA-N 0 0 383.433 2.425 10 0 GEAERN COC(=O)c1ccccc1Nc1nnc(SCc2ccccc2)n(N)c1=O ZINC000028536054 207343504 /nfs/dbraw/zinc/34/35/04/207343504.db2.gz QIOVJUZOBKNKQK-UHFFFAOYSA-N 0 0 383.433 2.175 10 0 GEAERN COC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@H](N)[C@@H]2SC1 ZINC000038632944 207384429 /nfs/dbraw/zinc/38/44/29/207384429.db2.gz XPDGOAYDTHKGJD-JXFKEZNVSA-N 0 0 396.468 2.420 10 0 GEAERN CN(C)C(=O)c1ccc2oc(CN3CCN(C(=O)NC(C)(C)C)CC3)nc2c1 ZINC000033127449 207439828 /nfs/dbraw/zinc/43/98/28/207439828.db2.gz WVTXFQUJSRNKJU-UHFFFAOYSA-N 0 0 387.484 2.155 10 0 GEAERN [NH3+]CCOCCOC[C@H](C(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000085475785 208101249 /nfs/dbraw/zinc/10/12/49/208101249.db2.gz KOXRXVLXOFDALB-HXUWFJFHSA-N 0 0 399.443 2.035 10 0 GEAERN CN(C(=O)OC(C)(C)C)C1CCN(C(=O)[C@@H]2CO[C@@H]3C=CC=C[C@@H]3O2)CC1 ZINC000079440294 208074354 /nfs/dbraw/zinc/07/43/54/208074354.db2.gz RDEARKJOFPQHRQ-IKGGRYGDSA-N 0 0 378.469 2.123 10 0 GEAERN COCC(=O)NCc1cc2n(n1)CCCN(Cc1ccnc3ccccc13)C2 ZINC000082121399 208081113 /nfs/dbraw/zinc/08/11/13/208081113.db2.gz BWYIXEXWXHCEIJ-UHFFFAOYSA-N 0 0 379.464 2.100 10 0 GEAERN CC(C)(C[NH+]1CCC(Oc2cccc(F)c2)(C(=O)[O-])CC1)N1CCOCC1 ZINC000082139164 208082163 /nfs/dbraw/zinc/08/21/63/208082163.db2.gz IBSSVSNDOQPLSV-UHFFFAOYSA-N 0 0 380.460 2.235 10 0 GEAERN NC(=O)Cn1ccnc1[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2Cl)C1 ZINC000095511901 208212419 /nfs/dbraw/zinc/21/24/19/208212419.db2.gz DPPQFSFBGRWITD-CYBMUJFWSA-N 0 0 378.835 2.110 10 0 GEAERN Cc1cccc(CN2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)Nc2cccnc2)c1 ZINC000096251061 208295035 /nfs/dbraw/zinc/29/50/35/208295035.db2.gz COGPRCIYTRFNRF-VAMGGRTRSA-N 0 0 399.516 2.264 10 0 GEAERN CCOCc1nn2c(nc(COC(=O)COc3ccccc3C)cc2=O)s1 ZINC000041077281 209096012 /nfs/dbraw/zinc/09/60/12/209096012.db2.gz LLYUOVDIQNTZKK-UHFFFAOYSA-N 0 0 389.433 2.118 10 0 GEAERN CCOCc1nn2c(nc(COC(=O)COc3ccc(C)cc3)cc2=O)s1 ZINC000041077282 209095134 /nfs/dbraw/zinc/09/51/34/209095134.db2.gz MCOOTVLLOBGTIB-UHFFFAOYSA-N 0 0 389.433 2.118 10 0 GEAERN COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000097021642 209015196 /nfs/dbraw/zinc/01/51/96/209015196.db2.gz XGAYGUSYHOPPOT-CYBMUJFWSA-N 0 0 388.852 2.172 10 0 GEAERN CC(=O)O[C@H]1[C@@H](Sc2ccccc2)O[C@@H](C)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000252021404 209033043 /nfs/dbraw/zinc/03/30/43/209033043.db2.gz YPJGKQRQWRZEKO-FAHUAPSYSA-N 0 0 382.434 2.319 10 0 GEAERN CC[C@H]1C(=O)NCCN1Cc1ccc2c(c1)CN(Cc1cccc(C)n1)CCO2 ZINC000299770621 209087229 /nfs/dbraw/zinc/08/72/29/209087229.db2.gz XCXPAUVCFKUBED-NRFANRHFSA-N 0 0 394.519 2.495 10 0 GEAERN C[C@@H](CCc1ccc(OS(=O)(=O)[O-])cc1)[NH2+]C[C@@H](O)c1ccc(O)cc1 ZINC000504409494 533660868 /nfs/dbraw/zinc/66/08/68/533660868.db2.gz NNKCOTNDZHALRJ-SCLBCKFNSA-N 0 0 381.450 2.218 10 0 GEAERN O=C(c1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1=O)N1CCOCC1 ZINC000065172565 222105681 /nfs/dbraw/zinc/10/56/81/222105681.db2.gz OHVAVHKAHPDSTL-UHFFFAOYSA-N 0 0 390.443 2.165 10 0 GEAERN CCO[C@@H](C)c1noc(CNC(=O)[C@H]2CCCN2c2ncnc3ccccc32)n1 ZINC000089984992 520282737 /nfs/dbraw/zinc/28/27/37/520282737.db2.gz HFXBSWVBTTXZJD-XJKSGUPXSA-N 0 0 396.451 2.396 10 0 GEAERN COc1cccc(CNC(=O)[C@]2(C)CCCN(C(=O)NC[C@@H]3CCCO3)C2)c1 ZINC000035526830 526000448 /nfs/dbraw/zinc/00/04/48/526000448.db2.gz BYTHXFVTQVQUTL-GHTZIAJQSA-N 0 0 389.496 2.302 10 0 GEAERN O=C1c2ccccc2C(=O)N1CCn1cc(-c2nc(-c3ccsc3)no2)nn1 ZINC000072264971 527131504 /nfs/dbraw/zinc/13/15/04/527131504.db2.gz CXIJULGURUWGLS-UHFFFAOYSA-N 0 0 392.400 2.353 10 0 GEAERN COc1ccc(Cl)cc1C(=O)NCc1nc(C)cc(N2CCOCC2)n1 ZINC000224178140 536547875 /nfs/dbraw/zinc/54/78/75/536547875.db2.gz HNKJYMJRQVXECF-UHFFFAOYSA-N 0 0 376.844 2.214 10 0 GEAERN CSCC[C@H](C(=O)NCc1ccccc1C(F)(F)F)N1C(=O)C=CC1=O ZINC000583652972 570262599 /nfs/dbraw/zinc/26/25/99/570262599.db2.gz NYFYSDLBRIJTAJ-CYBMUJFWSA-N 0 0 386.395 2.368 10 0 GEAERN CC(C)[C@@H](O)CN1CCO[C@H](CN(CC2CC2)C(=O)c2ccc(F)cc2)C1 ZINC000034691666 570296583 /nfs/dbraw/zinc/29/65/83/570296583.db2.gz RXKRJBOTWBGXRP-PMACEKPBSA-N 0 0 378.488 2.396 10 0 GEAERN CC[C@H](C(=O)N1CCCCCC1)N1CCN(Cc2ccc(F)cc2)C(=O)C1=O ZINC000035403047 570350797 /nfs/dbraw/zinc/35/07/97/570350797.db2.gz KKCIMYILSOIUSM-GOSISDBHSA-N 0 0 389.471 2.178 10 0 GEAERN CCOC(=O)[C@H](C)n1cnc2c1c(=O)n(C(C)C)c(=O)n2-c1cccc(C)c1 ZINC000037558172 570430206 /nfs/dbraw/zinc/43/02/06/570430206.db2.gz DBOUIBWXYLFYFF-AWEZNQCLSA-N 0 0 384.436 2.362 10 0 GEAERN COC[C@@H](O)CN(Cc1ccccc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000036159660 570555499 /nfs/dbraw/zinc/55/54/99/570555499.db2.gz AMCRKMUXRIOAJW-HNNXBMFYSA-N 0 0 399.516 2.483 10 0 GEAERN Cc1ccc(CN2CCN(CC(=O)Nc3cccc(C)c3C)C(=O)C2=O)cc1 ZINC000064888619 570579216 /nfs/dbraw/zinc/57/92/16/570579216.db2.gz LHJDJFXRWMQMFR-UHFFFAOYSA-N 0 0 379.460 2.421 10 0 GEAERN CCOc1ccc(CC(=O)N2C[C@H]3C[C@@H]2[C@@H](NC(=O)c2cccnc2)C3)cc1 ZINC000097125825 570664528 /nfs/dbraw/zinc/66/45/28/570664528.db2.gz BGFKFDROQTXVRZ-LSTHTHJFSA-N 0 0 379.460 2.442 10 0 GEAERN O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1F)N1CCc2ccccc2C1 ZINC000055199584 570686969 /nfs/dbraw/zinc/68/69/69/570686969.db2.gz JYHJIYDZINIDNS-HXUWFJFHSA-N 0 0 381.451 2.101 10 0 GEAERN CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CCC(N3CCNC3=O)CC2)ncn1 ZINC000275607427 570697165 /nfs/dbraw/zinc/69/71/65/570697165.db2.gz IKRDXMDBGZTYQN-APWZRJJASA-N 0 0 388.516 2.086 10 0 GEAERN Cn1c2ccccc2nc1-c1cc2n(n1)CCN(C(=O)CCc1c[nH]cn1)C2 ZINC000067840392 570793660 /nfs/dbraw/zinc/79/36/60/570793660.db2.gz KHBXJSDFUFHYID-UHFFFAOYSA-N 0 0 375.436 2.135 10 0 GEAERN Cc1nc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)cs1 ZINC000033129842 570820340 /nfs/dbraw/zinc/82/03/40/570820340.db2.gz RUGPTWAGANIQAQ-CQSZACIVSA-N 0 0 383.470 2.060 10 0 GEAERN CCOC[C@@H](O)CN(Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)C1CC1 ZINC000104989500 570911790 /nfs/dbraw/zinc/91/17/90/570911790.db2.gz AXDLBALSFMGPKN-JSGCOSHPSA-N 0 0 391.537 2.471 10 0 GEAERN COc1ccc(CCNC(=O)[C@H]2CCN(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000037570754 571032781 /nfs/dbraw/zinc/03/27/81/571032781.db2.gz PCRUYYCPKDLXIB-QGZVFWFLSA-N 0 0 382.416 2.136 10 0 GEAERN Cc1cnc(NC(=O)[C@@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)s1 ZINC000010623828 642361971 /nfs/dbraw/zinc/36/19/71/642361971.db2.gz KOUQOVIMMSYRGA-ZDUSSCGKSA-N 0 0 378.479 2.153 10 0 GEAERN C[C@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)c1ccc(Cl)c(Cl)c1 ZINC000025957626 642428856 /nfs/dbraw/zinc/42/88/56/642428856.db2.gz SJGQXWMPTHUKLN-STUBTGCMSA-N 0 0 382.247 2.281 10 0 GEAERN C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1)[C@H]1CCCO1 ZINC000049674769 642669930 /nfs/dbraw/zinc/66/99/30/642669930.db2.gz OOCLDZUZMQRWJP-BXUZGUMPSA-N 0 0 390.299 2.048 10 0 GEAERN CNS(=O)(=O)c1ccc([C@H](C)NS(=O)(=O)/C=C/c2ccccc2)cc1 ZINC000053670717 642735179 /nfs/dbraw/zinc/73/51/79/642735179.db2.gz UDNKWAWGCWGJGF-FNDVETGQSA-N 0 0 380.491 2.246 10 0 GEAERN COCCN1CCN(C(=O)N[C@@H](C)c2cccc(Br)c2)CC1=O ZINC000093288111 643075566 /nfs/dbraw/zinc/07/55/66/643075566.db2.gz XCWZXTKTHPOGHL-LBPRGKRZSA-N 0 0 384.274 2.010 10 0 GEAERN Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1[C@H]1NC(=O)[C@@H]2COCCN21 ZINC000093884353 643081517 /nfs/dbraw/zinc/08/15/17/643081517.db2.gz SEIVQHZYWRWBHB-BBRMVZONSA-N 0 0 381.263 2.376 10 0 GEAERN COCc1c(Br)cccc1NC(=O)C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000102084010 643122178 /nfs/dbraw/zinc/12/21/78/643122178.db2.gz RUYMDJUYSFELCS-QWRGUYRKSA-N 0 0 385.258 2.170 10 0 GEAERN O=C(NCCCNC(=O)c1cccc(Br)c1)N[C@@H]1CCCC[C@@H]1O ZINC000103313075 643162316 /nfs/dbraw/zinc/16/23/16/643162316.db2.gz DGLMFVNMOYAZQB-CABCVRRESA-N 0 0 398.301 2.172 10 0 GEAERN CN1CCO[C@H](CNC(=O)NCC(C)(C)c2cccc(Br)c2)C1 ZINC000104795107 643194096 /nfs/dbraw/zinc/19/40/96/643194096.db2.gz ROAXBSUMSNPZJM-OAHLLOKOSA-N 0 0 384.318 2.357 10 0 GEAERN C[C@H](CCc1ccc(Br)cc1)NC(=O)NC[C@H]1CN(C)CCO1 ZINC000104791409 643194188 /nfs/dbraw/zinc/19/41/88/643194188.db2.gz CIDYGAKVTVZNMV-CJNGLKHVSA-N 0 0 384.318 2.400 10 0 GEAERN O=C(c1ccc(Br)cc1O)N1CCCN(c2cccnn2)CC1 ZINC000109630338 643298578 /nfs/dbraw/zinc/29/85/78/643298578.db2.gz APUJNZLLCNHNBM-UHFFFAOYSA-N 0 0 377.242 2.297 10 0 GEAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Cn1cc(Br)ccc1=O ZINC000109672683 643298897 /nfs/dbraw/zinc/29/88/97/643298897.db2.gz FTHQLPRJIDPINQ-AWEZNQCLSA-N 0 0 393.285 2.325 10 0 GEAERN Cc1nc(CN2CCCN(C(=O)Cn3c(C)c(C)sc3=O)CC2)cs1 ZINC000109650564 643299103 /nfs/dbraw/zinc/29/91/03/643299103.db2.gz YHNOICHYAXIXDK-UHFFFAOYSA-N 0 0 380.539 2.026 10 0 GEAERN Cc1nc(CN2CCCN(C(=O)c3ccc(Br)cc3)CC2)no1 ZINC000109922636 643303816 /nfs/dbraw/zinc/30/38/16/643303816.db2.gz JEXHAAOVGCYTQR-UHFFFAOYSA-N 0 0 379.258 2.489 10 0 GEAERN O=C(NCc1ccc(Br)c(F)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111844934 643348293 /nfs/dbraw/zinc/34/82/93/643348293.db2.gz YNTHMQXDNAAWLQ-ZDUSSCGKSA-N 0 0 397.248 2.395 10 0 GEAERN C[C@H](Oc1ccccc1Br)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000112297842 643358678 /nfs/dbraw/zinc/35/86/78/643358678.db2.gz GWYYAQUGJIUHSG-UONOGXRCSA-N 0 0 394.269 2.341 10 0 GEAERN CCn1cc(CN2CCCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cn1 ZINC000112707535 643370155 /nfs/dbraw/zinc/37/01/55/643370155.db2.gz DFWFGSRBWQNYOC-UHFFFAOYSA-N 0 0 382.917 2.453 10 0 GEAERN O=C(NCCc1ccc(F)c(Br)c1)N[C@H]1CCc2ncnn2C1 ZINC000112745169 643372587 /nfs/dbraw/zinc/37/25/87/643372587.db2.gz XXJDNKDPTAXMIF-NSHDSACASA-N 0 0 382.237 2.036 10 0 GEAERN CCc1csc([C@H]2CCCN(C(=O)c3ccc(S(=O)(=O)NC)o3)C2)n1 ZINC000113201793 643385173 /nfs/dbraw/zinc/38/51/73/643385173.db2.gz YXCHDOQDVXEULG-NSHDSACASA-N 0 0 383.495 2.226 10 0 GEAERN C[C@H](CS(C)(=O)=O)N(C[C@H](O)COCc1ccc(Cl)cc1)C1CC1 ZINC000113263399 643388200 /nfs/dbraw/zinc/38/82/00/643388200.db2.gz XOZOZFWSGMJCJG-DYVFJYSZSA-N 0 0 375.918 2.115 10 0 GEAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1ccc(Cl)cc1C(F)(F)F ZINC000113298300 643392380 /nfs/dbraw/zinc/39/23/80/643392380.db2.gz JZXSVLQRPIKHKZ-VIFPVBQESA-N 0 0 380.779 2.244 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1cccc(Br)c1)CC2 ZINC000114947714 643427629 /nfs/dbraw/zinc/42/76/29/643427629.db2.gz MQXQNPUGQVNWHP-CYBMUJFWSA-N 0 0 378.274 2.417 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1ccccc1Br)CC2 ZINC000114947732 643428414 /nfs/dbraw/zinc/42/84/14/643428414.db2.gz BPOGVESLBGSYMZ-GFCCVEGCSA-N 0 0 378.274 2.417 10 0 GEAERN COC(=O)[C@@H](NC(=O)c1cc(I)c[nH]1)c1ccccc1 ZINC000115353367 643436574 /nfs/dbraw/zinc/43/65/74/643436574.db2.gz LKBOUHKXVYPMPU-LBPRGKRZSA-N 0 0 384.173 2.263 10 0 GEAERN Cc1ccc(Cl)cc1S(=O)(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000115581060 643442038 /nfs/dbraw/zinc/44/20/38/643442038.db2.gz WWSNAXSQZJAJJN-UHFFFAOYSA-N 0 0 382.917 2.279 10 0 GEAERN Cn1cc(CN2CCCN(S(=O)(=O)c3ccc(F)cc3Cl)CC2)cn1 ZINC000115580909 643442128 /nfs/dbraw/zinc/44/21/28/643442128.db2.gz QXXKUHRJTQWXTI-UHFFFAOYSA-N 0 0 386.880 2.109 10 0 GEAERN CC(=O)N(c1nn(CN2CC[C@@H](c3cnn(C)c3)C2)c(=S)s1)C1CC1 ZINC000116258597 643455844 /nfs/dbraw/zinc/45/58/44/643455844.db2.gz UQQWECCUMGPHCD-GFCCVEGCSA-N 0 0 378.527 2.370 10 0 GEAERN COCCN1CCN(C(=O)COc2ccc(Br)cc2F)C[C@@H]1C ZINC000117294168 643486497 /nfs/dbraw/zinc/48/64/97/643486497.db2.gz AZXXINJMIFWWOP-LBPRGKRZSA-N 0 0 389.265 2.146 10 0 GEAERN COCCN1CCN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C[C@@H]1C ZINC000117369322 643489364 /nfs/dbraw/zinc/48/93/64/643489364.db2.gz HKZXYEBJWBGWQT-NSHDSACASA-N 0 0 384.395 2.186 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1C ZINC000117368792 643489394 /nfs/dbraw/zinc/48/93/94/643489394.db2.gz CPZYOOKIJNBRST-ZDUSSCGKSA-N 0 0 380.432 2.437 10 0 GEAERN COCCN1CCN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C[C@H]1C ZINC000117369796 643490057 /nfs/dbraw/zinc/49/00/57/643490057.db2.gz LKYPOTQSSQJNEV-CYBMUJFWSA-N 0 0 380.432 2.188 10 0 GEAERN CC[C@@H]1CN(S(=O)(=O)c2sccc2Br)CCN1CCOC ZINC000117372324 643490243 /nfs/dbraw/zinc/49/02/43/643490243.db2.gz CHTNXDXYLPVFPU-LLVKDONJSA-N 0 0 397.360 2.242 10 0 GEAERN Cc1cnn(CCNC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)c1 ZINC000117813336 643499331 /nfs/dbraw/zinc/49/93/31/643499331.db2.gz DGSYXDRFTGGYGW-HNNXBMFYSA-N 0 0 391.269 2.123 10 0 GEAERN Cc1cnn(CCNC(=O)Cc2csc(NC(=O)c3cccs3)n2)c1 ZINC000117816625 643500048 /nfs/dbraw/zinc/50/00/48/643500048.db2.gz DZYZUMFBGCEHHC-UHFFFAOYSA-N 0 0 375.479 2.321 10 0 GEAERN C[C@@H](CNC(=O)Cc1cc(Cl)ccc1Br)N1CCOCC1 ZINC000119079166 643533357 /nfs/dbraw/zinc/53/33/57/643533357.db2.gz JNNXTGYWVHYILV-NSHDSACASA-N 0 0 375.694 2.482 10 0 GEAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1cnc(Br)c(Br)c1 ZINC000119333814 643546868 /nfs/dbraw/zinc/54/68/68/643546868.db2.gz NJGYEOJBKCFUFR-YLWLKBPMSA-N 0 0 377.036 2.070 10 0 GEAERN O=C(NCCNS(=O)(=O)c1cccs1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000119861568 643576058 /nfs/dbraw/zinc/57/60/58/643576058.db2.gz YHNGVFHNPFMYSF-WDEREUQCSA-N 0 0 399.460 2.447 10 0 GEAERN COC(=O)[C@H](O)C1CCN(C(=O)N[C@@H](C)c2ccccc2Br)CC1 ZINC000120073932 643590487 /nfs/dbraw/zinc/59/04/87/643590487.db2.gz AADNFIGIBZXABA-XHDPSFHLSA-N 0 0 399.285 2.466 10 0 GEAERN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000120286065 643598470 /nfs/dbraw/zinc/59/84/70/643598470.db2.gz WRVZOMIXCNYTSR-BXUZGUMPSA-N 0 0 391.269 2.381 10 0 GEAERN O=C(NCC[S@@](=O)Cc1ccccc1)N1CCO[C@H](c2nccs2)C1 ZINC000120430268 643606668 /nfs/dbraw/zinc/60/66/68/643606668.db2.gz FCMUYRRFKYDSSB-MQNRADLISA-N 0 0 379.507 2.175 10 0 GEAERN Cn1cc([C@@H]2CCN(C(=O)c3cncc(I)c3)C2)cn1 ZINC000121817769 643642484 /nfs/dbraw/zinc/64/24/84/643642484.db2.gz SGAVVBJMIDCPNC-SNVBAGLBSA-N 0 0 382.205 2.049 10 0 GEAERN CCc1nc(NC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)sc1C ZINC000124742596 643689857 /nfs/dbraw/zinc/68/98/57/643689857.db2.gz ULDAJAKRTPAPSW-SECBINFHSA-N 0 0 378.479 2.080 10 0 GEAERN CC(C)c1n[nH]c(C(=O)N[C@H]2CCCN(c3cccnn3)C2)c1Br ZINC000125095244 643701170 /nfs/dbraw/zinc/70/11/70/643701170.db2.gz GTKNBJYLMYEGGW-NSHDSACASA-N 0 0 393.289 2.484 10 0 GEAERN CCc1nc2n(n1)CCC[C@H]2N[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000126028712 643718966 /nfs/dbraw/zinc/71/89/66/643718966.db2.gz GNSVVBVNPQGYSB-OCCSQVGLSA-N 0 0 396.264 2.393 10 0 GEAERN C[C@H](NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1Br ZINC000126724953 643744287 /nfs/dbraw/zinc/74/42/87/643744287.db2.gz QBOYSIRVSYOPJS-WDEREUQCSA-N 0 0 375.288 2.339 10 0 GEAERN C[C@@H](NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1Br ZINC000126725207 643744374 /nfs/dbraw/zinc/74/43/74/643744374.db2.gz QBOYSIRVSYOPJS-GHMZBOCLSA-N 0 0 375.288 2.339 10 0 GEAERN CN(C)c1ncc(Br)cc1C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000127212152 643763531 /nfs/dbraw/zinc/76/35/31/643763531.db2.gz DPUYDEHTILDTOX-LBPRGKRZSA-N 0 0 393.289 2.054 10 0 GEAERN CCCNc1nnc(S(=O)(=O)[C@@H](C)C(=O)N[C@H](C)c2ccccc2)s1 ZINC000127762423 643783233 /nfs/dbraw/zinc/78/32/33/643783233.db2.gz JHUKRNMBVRCMNP-NEPJUHHUSA-N 0 0 382.511 2.400 10 0 GEAERN CS(=O)(=O)CCn1ccc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)n1 ZINC000130257307 643833180 /nfs/dbraw/zinc/83/31/80/643833180.db2.gz CFAJRMZXNZSWJJ-GHMZBOCLSA-N 0 0 385.848 2.462 10 0 GEAERN C[C@H]1COC[C@H](C)N1C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000130504968 643841253 /nfs/dbraw/zinc/84/12/53/643841253.db2.gz WUGYTYIWUUYACB-UWVGGRQHSA-N 0 0 375.288 2.218 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1csc(-c2ccco2)n1 ZINC000131669323 643876421 /nfs/dbraw/zinc/87/64/21/643876421.db2.gz FJBIXMCPVIIFKL-ZDUSSCGKSA-N 0 0 383.495 2.224 10 0 GEAERN Cc1cc(C)n(C[C@@H]2CN(Cn3nc(C)c(Br)c3C)CCO2)n1 ZINC000152879453 643974660 /nfs/dbraw/zinc/97/46/60/643974660.db2.gz QXLWIRISFPSZNQ-HNNXBMFYSA-N 0 0 382.306 2.434 10 0 GEAERN COC(=O)[C@@H]1C[C@H]1C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000155755432 644079539 /nfs/dbraw/zinc/07/95/39/644079539.db2.gz XLRLFSNOPRMQEZ-NXEZZACHSA-N 0 0 380.750 2.448 10 0 GEAERN COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2c2cnn(C)c2)ccc1Cl ZINC000156755583 644115829 /nfs/dbraw/zinc/11/58/29/644115829.db2.gz IOUZJYRECSYNNE-HNNXBMFYSA-N 0 0 383.857 2.386 10 0 GEAERN CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000158489475 644146679 /nfs/dbraw/zinc/14/66/79/644146679.db2.gz GXUASOZXYZFDAK-BXUZGUMPSA-N 0 0 399.285 2.454 10 0 GEAERN O=C(c1cc(Cn2cc(Br)cn2)on1)N1CCO[C@H]2CCCC[C@H]21 ZINC000158984674 644170570 /nfs/dbraw/zinc/17/05/70/644170570.db2.gz MOJNNTBTDZZILJ-CABCVRRESA-N 0 0 395.257 2.466 10 0 GEAERN CCCC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)nc2Cl)C1 ZINC000171110884 644310957 /nfs/dbraw/zinc/31/09/57/644310957.db2.gz ODIDXJPQLPIVET-JTQLQIEISA-N 0 0 380.297 2.458 10 0 GEAERN C[C@@H](NC(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1)c1cccs1 ZINC000171336847 644319326 /nfs/dbraw/zinc/31/93/26/644319326.db2.gz YZWMBJVIOGAIAG-MRVPVSSYSA-N 0 0 388.417 2.246 10 0 GEAERN COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000171375524 644320751 /nfs/dbraw/zinc/32/07/51/644320751.db2.gz WEHIXNLMMOHXLW-QWHCGFSZSA-N 0 0 385.247 2.087 10 0 GEAERN COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000171390669 644321343 /nfs/dbraw/zinc/32/13/43/644321343.db2.gz MLXJWBRGCUZPNE-WDEREUQCSA-N 0 0 385.247 2.087 10 0 GEAERN Cc1nc(C[C@@H]2CCCN(S(=O)(=O)c3c(F)cc(F)cc3F)C2)no1 ZINC000171429094 644321928 /nfs/dbraw/zinc/32/19/28/644321928.db2.gz KBZIWJWYUNJDEZ-JTQLQIEISA-N 0 0 375.372 2.439 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)c2ccc(Cl)nc2Cl)C[C@@H]1C ZINC000172261863 644338213 /nfs/dbraw/zinc/33/82/13/644338213.db2.gz IAQVEIYXNNYQGA-NSHDSACASA-N 0 0 382.313 2.120 10 0 GEAERN C[C@@H](C(=O)Nc1cccc(Br)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000172806401 644344799 /nfs/dbraw/zinc/34/47/99/644344799.db2.gz JCBXIPCYEAAIJH-BBRMVZONSA-N 0 0 382.302 2.183 10 0 GEAERN COC(=O)c1sc(N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)nc1Cl ZINC000172810254 644345529 /nfs/dbraw/zinc/34/55/29/644345529.db2.gz MGNZOIREYDBLJH-SECBINFHSA-N 0 0 383.861 2.233 10 0 GEAERN S=c1n(CCc2cccs2)cnn1CN1CC[C@H](N2CCOCC2)C1 ZINC000172959462 644347843 /nfs/dbraw/zinc/34/78/43/644347843.db2.gz ABVXOUYGNQNICU-HNNXBMFYSA-N 0 0 379.555 2.082 10 0 GEAERN CCc1nnc([C@@H]2CN(C(=O)c3ccc(F)cc3Br)CCO2)[nH]1 ZINC000173096674 644351244 /nfs/dbraw/zinc/35/12/44/644351244.db2.gz VAFCHSIJOHTCDW-LBPRGKRZSA-N 0 0 383.221 2.482 10 0 GEAERN CCOc1nn(CN2CCN(C[C@@H](O)c3ccccc3)CC2)c(=S)s1 ZINC000173361805 644356294 /nfs/dbraw/zinc/35/62/94/644356294.db2.gz LGPZGJQXOQZUBY-OAHLLOKOSA-N 0 0 380.539 2.381 10 0 GEAERN C[C@@H](NC(=O)c1cccn2c(I)cnc12)[C@H]1CCCO1 ZINC000176808417 644405422 /nfs/dbraw/zinc/40/54/22/644405422.db2.gz IEUBUZSDZOQTFN-MWLCHTKSSA-N 0 0 385.205 2.236 10 0 GEAERN C[C@@H](NC(=O)c1cccn2c(I)cnc12)[C@@H]1CCCO1 ZINC000176808384 644405590 /nfs/dbraw/zinc/40/55/90/644405590.db2.gz IEUBUZSDZOQTFN-KOLCDFICSA-N 0 0 385.205 2.236 10 0 GEAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1ccnc(Br)c1 ZINC000177355958 644415574 /nfs/dbraw/zinc/41/55/74/644415574.db2.gz HTRYMVRPYXHKNQ-GFCCVEGCSA-N 0 0 381.251 2.493 10 0 GEAERN O=C(Nc1c(F)cc(Br)cc1F)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000177551040 644417173 /nfs/dbraw/zinc/41/71/73/644417173.db2.gz RICZELUIFYKSGZ-PRHODGIISA-N 0 0 391.212 2.333 10 0 GEAERN COc1ccc(Br)c(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CO)c1 ZINC000177550248 644417342 /nfs/dbraw/zinc/41/73/42/644417342.db2.gz GDFYDJURFYLSIT-MFKMUULPSA-N 0 0 385.258 2.064 10 0 GEAERN O=C(Nc1cccc(Cl)c1Cl)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000177650220 644422192 /nfs/dbraw/zinc/42/21/92/644422192.db2.gz IMXDEUWJPDELPK-LLVKDONJSA-N 0 0 383.235 2.056 10 0 GEAERN C[C@@H](NC(=O)C[C@@H](O)c1ccc(Cl)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000179609433 644465748 /nfs/dbraw/zinc/46/57/48/644465748.db2.gz PAFDVVQSKXYCJO-BDJLRTHQSA-N 0 0 382.869 2.288 10 0 GEAERN Cc1cc(NC(=O)C(=O)N[C@@H]2COc3ccccc32)cnc1Br ZINC000182732067 644970676 /nfs/dbraw/zinc/97/06/76/644970676.db2.gz IFWBFIRPHUXWDN-GFCCVEGCSA-N 0 0 376.210 2.341 10 0 GEAERN COc1cc(/C=C/C(=O)NC[C@H](C)N2CCOCC2)cc(Br)c1O ZINC000183385310 644992497 /nfs/dbraw/zinc/99/24/97/644992497.db2.gz LTRDFJOJFBTRSX-PCAWENJQSA-N 0 0 399.285 2.013 10 0 GEAERN CN1CCO[C@@H](CNC(=O)NCCOCc2ccc(Cl)cc2Cl)C1 ZINC000183561864 644997396 /nfs/dbraw/zinc/99/73/96/644997396.db2.gz XQCKOFOHVLASST-AWEZNQCLSA-N 0 0 376.284 2.140 10 0 GEAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCCCCC(F)(F)F ZINC000184948575 645029117 /nfs/dbraw/zinc/02/91/17/645029117.db2.gz ZZLQSIKDSMBYJD-JTQLQIEISA-N 0 0 378.372 2.389 10 0 GEAERN O=C(NC1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C1)C1CCC1 ZINC000186177297 645062495 /nfs/dbraw/zinc/06/24/95/645062495.db2.gz YLDFQDIMGWQROL-UHFFFAOYSA-N 0 0 380.363 2.134 10 0 GEAERN Cc1sc(Br)cc1S(=O)(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000186177603 645062565 /nfs/dbraw/zinc/06/25/65/645062565.db2.gz YFZIFKQEMKAORX-UHFFFAOYSA-N 0 0 393.328 2.108 10 0 GEAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)Cc2cccc(Br)c2)CC1 ZINC000186647293 645070903 /nfs/dbraw/zinc/07/09/03/645070903.db2.gz BUYFIOOFSSUJAY-OAHLLOKOSA-N 0 0 383.286 2.389 10 0 GEAERN CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)NCC(=O)NCC1CC1 ZINC000186760411 645075563 /nfs/dbraw/zinc/07/55/63/645075563.db2.gz KSGUUBZJNXMCKA-UHFFFAOYSA-N 0 0 389.283 2.371 10 0 GEAERN CC(=O)N[C@H]1CCCN(Cn2c(=O)oc3cc(F)c(Br)cc32)C1 ZINC000192156284 645197133 /nfs/dbraw/zinc/19/71/33/645197133.db2.gz CUYBRQKHWXKJQH-JTQLQIEISA-N 0 0 386.221 2.054 10 0 GEAERN Cc1noc([C@H](C)N2CCN(C(=O)c3ncc(Br)s3)CC2)n1 ZINC000192419016 645203812 /nfs/dbraw/zinc/20/38/12/645203812.db2.gz MQZVRSOVTZDZLO-QMMMGPOBSA-N 0 0 386.275 2.116 10 0 GEAERN Cc1nc(Cl)ccc1NC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000192507372 645210829 /nfs/dbraw/zinc/21/08/29/645210829.db2.gz NWPDWNDIUXPZEG-JTQLQIEISA-N 0 0 378.841 2.109 10 0 GEAERN CCS(=O)(=O)C1CCN(C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000193259601 645257257 /nfs/dbraw/zinc/25/72/57/645257257.db2.gz QPRISUKTJZNSMM-INIZCTEOSA-N 0 0 375.918 2.117 10 0 GEAERN CC(C)c1ccc([C@@H](C)NS(=O)(=O)CCCS(=O)(=O)N(C)C)cc1 ZINC000193795695 645299333 /nfs/dbraw/zinc/29/93/33/645299333.db2.gz LMQMNTKIKXVHHM-CQSZACIVSA-N 0 0 376.544 2.072 10 0 GEAERN Cn1c(=S)n(CN2CCCC[C@H]2c2nccs2)nc1N1CCOCC1 ZINC000195301542 645370902 /nfs/dbraw/zinc/37/09/02/645370902.db2.gz GFBLUMIZGCPEGP-ZDUSSCGKSA-N 0 0 380.543 2.429 10 0 GEAERN Cc1cc(CS(=O)(=O)c2nnc(CCC(N)=O)n2CC(C)C)c(C)s1 ZINC000195342922 645372633 /nfs/dbraw/zinc/37/26/33/645372633.db2.gz GUDFTKKTNGAWFR-UHFFFAOYSA-N 0 0 384.527 2.004 10 0 GEAERN CCOC(=O)N1CCN(C(=O)c2cc3oc(Br)cc3n2C)CC1 ZINC000223704868 645387077 /nfs/dbraw/zinc/38/70/77/645387077.db2.gz WCLWQYQVJYPNNH-UHFFFAOYSA-N 0 0 384.230 2.448 10 0 GEAERN C[C@H](Cn1cc(Cl)cn1)C(=O)N1CCn2c(nnc2C(F)(F)F)[C@H]1C ZINC000223502382 645387128 /nfs/dbraw/zinc/38/71/28/645387128.db2.gz PAWDSYQXSVQLIA-RKDXNWHRSA-N 0 0 376.770 2.386 10 0 GEAERN COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2Br)C[C@@H]1C ZINC000227813492 645393730 /nfs/dbraw/zinc/39/37/30/645393730.db2.gz NXMYVTIIJZXJLS-WCBMZHEXSA-N 0 0 380.235 2.018 10 0 GEAERN COC(=O)[C@H]1CN(C(=O)c2ccc(F)cc2I)C[C@@H]1C ZINC000228302798 645395542 /nfs/dbraw/zinc/39/55/42/645395542.db2.gz BLJLORQVCYHKRF-KWQFWETISA-N 0 0 391.180 2.311 10 0 GEAERN COc1cc(S(=O)(=O)N2CCN3CCCC[C@H]3C2)ccc1Br ZINC000245423822 645454038 /nfs/dbraw/zinc/45/40/38/645454038.db2.gz RKARCFCUZJUJRS-LBPRGKRZSA-N 0 0 389.315 2.317 10 0 GEAERN COC(=O)[C@H](c1cccc(Br)c1)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000245859879 645471047 /nfs/dbraw/zinc/47/10/47/645471047.db2.gz FFEAKBMBTJDDSD-XYPHTWIQSA-N 0 0 397.313 2.316 10 0 GEAERN CC[C@@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CCN1C[C@H](C)O ZINC000246187052 645477880 /nfs/dbraw/zinc/47/78/80/645477880.db2.gz RJZLWPMRXJBRTR-QWHCGFSZSA-N 0 0 380.432 2.262 10 0 GEAERN C[C@@H]1CN(Cc2nnc(-c3ccc(Br)o3)o2)C[C@H]1N1CCOCC1 ZINC000246403897 645483596 /nfs/dbraw/zinc/48/35/96/645483596.db2.gz JPGHYHHMQGMVGQ-VXGBXAGGSA-N 0 0 397.273 2.245 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)c2ccc(Cl)nc2Cl)C[C@H]1C ZINC000247026528 645501576 /nfs/dbraw/zinc/50/15/76/645501576.db2.gz IAQVEIYXNNYQGA-LLVKDONJSA-N 0 0 382.313 2.120 10 0 GEAERN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[C@H](O)COc1cccc(Br)c1 ZINC000247744256 645517449 /nfs/dbraw/zinc/51/74/49/645517449.db2.gz QJWCVLXDAJWWEG-NWANDNLSSA-N 0 0 380.238 2.140 10 0 GEAERN COCCN1CCN(CC(=O)Nc2ccc(C)cc2Br)C[C@@H]1C ZINC000247779045 645517964 /nfs/dbraw/zinc/51/79/64/645517964.db2.gz RJWISJAONFUXGT-AWEZNQCLSA-N 0 0 384.318 2.349 10 0 GEAERN Cc1noc([C@@H]2COCCN2C[C@@H](O)c2ccc(F)c(Br)c2)n1 ZINC000248577863 645532508 /nfs/dbraw/zinc/53/25/08/645532508.db2.gz UNGRGPDYYZSRKL-UONOGXRCSA-N 0 0 386.221 2.387 10 0 GEAERN CC[C@H](C)CS(=O)(=O)N1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000248817439 645539643 /nfs/dbraw/zinc/53/96/43/645539643.db2.gz URFAWGHMBJENRV-JKSUJKDBSA-N 0 0 376.563 2.490 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000262448014 645630177 /nfs/dbraw/zinc/63/01/77/645630177.db2.gz DJBKFAZEWRTKTC-UHFFFAOYSA-N 0 0 381.281 2.209 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@@H](C)Oc2ccccc2Br)C1 ZINC000262813612 645646102 /nfs/dbraw/zinc/64/61/02/645646102.db2.gz ONSTUQFYPDUEDF-PNESKVBLSA-N 0 0 399.285 2.270 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NCCc2cccc(Br)c2)C1 ZINC000263366838 645662643 /nfs/dbraw/zinc/66/26/43/645662643.db2.gz LSLXWNZWSVQNPO-UHFFFAOYSA-N 0 0 398.301 2.228 10 0 GEAERN CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)C[C@@H]1c1ncc[nH]1 ZINC000328628922 647311569 /nfs/dbraw/zinc/31/15/69/647311569.db2.gz OEQFSVXSCUDFMN-LLVKDONJSA-N 0 0 375.281 2.394 10 0 GEAERN C[C@@H](NC(=O)c1cnc(Br)c(Br)c1)c1cn(C)nn1 ZINC000720537657 651476479 /nfs/dbraw/zinc/47/64/79/651476479.db2.gz VKNDXMAIMZMQML-ZCFIWIBFSA-N 0 0 389.051 2.226 10 0 GEAERN O=C(N[C@H]1CCOC[C@H]1O)c1cc(Br)sc1Br ZINC000629233719 652481576 /nfs/dbraw/zinc/48/15/76/652481576.db2.gz BDIWHQQLGLDQIE-NKWVEPMBSA-N 0 0 385.077 2.153 10 0 GEAERN Cn1nc2cc(Br)ccc2c1C(=O)N1CC[C@@H](n2ccnn2)C1 ZINC000585321389 652533189 /nfs/dbraw/zinc/53/31/89/652533189.db2.gz QXFYGCHSNRCQFH-LLVKDONJSA-N 0 0 375.230 2.015 10 0 GEAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC000702849358 653320281 /nfs/dbraw/zinc/32/02/81/653320281.db2.gz BIZJKFAIDXAPNQ-KWQFWETISA-N 0 0 378.256 2.279 10 0 GEAERN O=C(c1scc(Br)c1Br)N1CCOC[C@@H]1CO ZINC000705448073 653321249 /nfs/dbraw/zinc/32/12/49/653321249.db2.gz PDPUDHNCFJWWPV-LURJTMIESA-N 0 0 385.077 2.106 10 0 GEAERN CCS(=O)(=O)c1ccc(CNC(=O)C2C[C@H]3CSC[C@@H](C2)C3=O)cc1 ZINC000901347300 654121321 /nfs/dbraw/zinc/12/13/21/654121321.db2.gz VPDPHRURRIDJKH-GOOCMWNKSA-N 0 0 381.519 2.055 10 0 GEAERN COc1cccc(NC(=O)NC(=O)CN2CCC(O)(c3ccccc3)CC2)c1 ZINC000033865302 230921196 /nfs/dbraw/zinc/92/11/96/230921196.db2.gz WHXQMVOUJLAKFI-UHFFFAOYSA-N 0 0 383.448 2.327 10 0 GEAERN Cn1cc(Br)cc(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1=O ZINC000153036575 531582750 /nfs/dbraw/zinc/58/27/50/531582750.db2.gz NQCIXCOTLQPZTH-BDJLRTHQSA-N 0 0 384.274 2.307 10 0 GEAERN Cn1cc(Br)cc(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1=O ZINC000153036680 531584258 /nfs/dbraw/zinc/58/42/58/531584258.db2.gz NQCIXCOTLQPZTH-BZNIZROVSA-N 0 0 384.274 2.307 10 0 GEAERN C[C@H](NC(=O)c1ccnc2c(C(N)=O)cnn21)c1ccccc1Br ZINC000153279204 531594701 /nfs/dbraw/zinc/59/47/01/531594701.db2.gz GAFHCVUYOPEZJI-VIFPVBQESA-N 0 0 388.225 2.082 10 0 GEAERN C[C@@H](NC(=O)c1cccc(C[S@@](C)=O)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000025994620 531614856 /nfs/dbraw/zinc/61/48/56/531614856.db2.gz OGZDYZDVVGJXFP-OZAJXLCCSA-N 0 0 379.503 2.460 10 0 GEAERN Cc1nnc([C@H]2CN(Cc3cc(Br)cc4c3OCC4)CCO2)[nH]1 ZINC000153994029 531617260 /nfs/dbraw/zinc/61/72/60/531617260.db2.gz AEPLNFLMAUOKJQ-CQSZACIVSA-N 0 0 379.258 2.384 10 0 GEAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)Cc3ccc(F)c(Cl)c3)CCO2)c1 ZINC000155099723 531655449 /nfs/dbraw/zinc/65/54/49/531655449.db2.gz DUWZUKRTZCVJRF-AWEZNQCLSA-N 0 0 387.864 2.215 10 0 GEAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(Br)cc1OC ZINC000155389308 531681305 /nfs/dbraw/zinc/68/13/05/531681305.db2.gz VQMZVDIYVLITCV-LBPRGKRZSA-N 0 0 395.257 2.461 10 0 GEAERN NS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000045614039 531694669 /nfs/dbraw/zinc/69/46/69/531694669.db2.gz QMBKASXCUAYTDT-RYUDHWBXSA-N 0 0 379.404 2.254 10 0 GEAERN COCCN1CCN(S(=O)(=O)c2cccc(C)c2Br)C[C@H]1C ZINC000156227246 531722888 /nfs/dbraw/zinc/72/28/88/531722888.db2.gz DOZWABBBIGVBTJ-CYBMUJFWSA-N 0 0 391.331 2.099 10 0 GEAERN Cn1cc(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc(Br)c1=O ZINC000156288530 531727815 /nfs/dbraw/zinc/72/78/15/531727815.db2.gz YEMJJFIEMJXDSE-ZBEGNZNMSA-N 0 0 384.274 2.307 10 0 GEAERN CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)c1cnc(Cl)c(Cl)c1)CC2 ZINC000159351869 531780374 /nfs/dbraw/zinc/78/03/74/531780374.db2.gz ASFAOYCWYPJMAF-SECBINFHSA-N 0 0 390.296 2.397 10 0 GEAERN COc1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000159351605 531780001 /nfs/dbraw/zinc/78/00/01/531780001.db2.gz IONQREPLNAFTRT-LLVKDONJSA-N 0 0 384.889 2.357 10 0 GEAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000162736771 531848972 /nfs/dbraw/zinc/84/89/72/531848972.db2.gz SGDRPQRVAHVVHQ-NSHDSACASA-N 0 0 389.633 2.205 10 0 GEAERN COC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000162737769 531849471 /nfs/dbraw/zinc/84/94/71/531849471.db2.gz UAZGIKOHHCCTPC-LLVKDONJSA-N 0 0 378.734 2.461 10 0 GEAERN COC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000162726939 531849769 /nfs/dbraw/zinc/84/97/69/531849769.db2.gz FTFYLAZKPRUQTL-LLVKDONJSA-N 0 0 378.734 2.461 10 0 GEAERN Cc1cnn(C[C@H]2CN(C(=O)[C@H](O)c3cc(Cl)cc(Cl)c3)CCO2)c1 ZINC000164021017 531866341 /nfs/dbraw/zinc/86/63/41/531866341.db2.gz WPTDSJKYQMOIKB-HZPDHXFCSA-N 0 0 384.263 2.459 10 0 GEAERN COC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(C)cc1Br ZINC000163584660 531861187 /nfs/dbraw/zinc/86/11/87/531861187.db2.gz SSEICLTWOSHDSC-ZDUSSCGKSA-N 0 0 383.242 2.250 10 0 GEAERN COC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1cc(F)ccc1Br ZINC000163574144 531861449 /nfs/dbraw/zinc/86/14/49/531861449.db2.gz MHOVGYRUGNZXDA-LBPRGKRZSA-N 0 0 387.205 2.081 10 0 GEAERN O=C(Nc1cc(Cl)ccc1Br)C(=O)N[C@H]1CCCn2ncnc21 ZINC000163829243 531865196 /nfs/dbraw/zinc/86/51/96/531865196.db2.gz TYSDASGAYZBMRI-JTQLQIEISA-N 0 0 398.648 2.284 10 0 GEAERN C[C@H](NC(=O)C(=O)Nc1ccccc1Br)c1nnc2n1CCCC2 ZINC000165610872 531872983 /nfs/dbraw/zinc/87/29/83/531872983.db2.gz BKFMOMXYAJVLNZ-JTQLQIEISA-N 0 0 392.257 2.193 10 0 GEAERN O=C(CN1CCO[C@@H](c2nccs2)C1)NCCOc1ccc(Cl)cc1 ZINC000171666398 531910875 /nfs/dbraw/zinc/91/08/75/531910875.db2.gz HMNVKFOCLDNXMQ-OAHLLOKOSA-N 0 0 381.885 2.365 10 0 GEAERN CCc1nc([C@@H](C)NC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cs1 ZINC000171822144 531919441 /nfs/dbraw/zinc/91/94/41/531919441.db2.gz XGJFETQYXBOJDG-GHMZBOCLSA-N 0 0 382.511 2.474 10 0 GEAERN CCn1cc(CN2CCCN(C(=O)NCCSC(F)(F)F)CC2)cn1 ZINC000171851137 531920129 /nfs/dbraw/zinc/92/01/29/531920129.db2.gz KLXARRPSPFRNDA-UHFFFAOYSA-N 0 0 379.452 2.373 10 0 GEAERN C[C@H](NC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)c1cccs1 ZINC000171849152 531920874 /nfs/dbraw/zinc/92/08/74/531920874.db2.gz QJNDVHZKWWBCMX-JTQLQIEISA-N 0 0 381.470 2.373 10 0 GEAERN O=C(NCCc1ccc(Br)s1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000171899741 531923199 /nfs/dbraw/zinc/92/31/99/531923199.db2.gz VUUJZKBGTMEHCQ-GFCCVEGCSA-N 0 0 399.314 2.360 10 0 GEAERN C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000172103541 531934534 /nfs/dbraw/zinc/93/45/34/531934534.db2.gz FOVFDCIBEZABSZ-RDDMENKBSA-N 0 0 383.231 2.414 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc3sc(N(C)C)nc3s1)CC2 ZINC000172255061 531942859 /nfs/dbraw/zinc/94/28/59/531942859.db2.gz JKCGDCKORWFMDO-VIFPVBQESA-N 0 0 376.511 2.323 10 0 GEAERN Cc1cnn(CCNC(=O)NCCC(=O)Nc2ccc(Br)cc2)c1 ZINC000172278802 531944181 /nfs/dbraw/zinc/94/41/81/531944181.db2.gz UFRGBZNRMZKALH-UHFFFAOYSA-N 0 0 394.273 2.282 10 0 GEAERN O=C(CCCOc1cccc(Br)c1)N[C@@H]1CCc2ncnn2C1 ZINC000112656259 531948893 /nfs/dbraw/zinc/94/88/93/531948893.db2.gz CAZCCQFOBLFZRT-CYBMUJFWSA-N 0 0 379.258 2.331 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(Br)cc1OC)CC2 ZINC000114871096 531957625 /nfs/dbraw/zinc/95/76/25/531957625.db2.gz OSWLABSUDMYCEG-NSHDSACASA-N 0 0 379.258 2.356 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)c1[nH]nc(C(C)C)c1Br)CC2 ZINC000114870848 531957877 /nfs/dbraw/zinc/95/78/77/531957877.db2.gz JWSIIXSVRGCGDP-SECBINFHSA-N 0 0 381.278 2.194 10 0 GEAERN C[C@H](Oc1ccccc1Br)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172758922 531966364 /nfs/dbraw/zinc/96/63/64/531966364.db2.gz WCWSCVIQQBHPBE-KBPBESRZSA-N 0 0 383.286 2.150 10 0 GEAERN COc1cc(C(=O)N2CC[C@@H](N3CCOCC3)C2)cc(OC)c1Br ZINC000172751334 531966469 /nfs/dbraw/zinc/96/64/69/531966469.db2.gz DSGJMWFALBVUSJ-CYBMUJFWSA-N 0 0 399.285 2.013 10 0 GEAERN Cc1ccc(O[C@H](C)C(=O)N2CC[C@H](N3CCOCC3)C2)c(Br)c1 ZINC000172750342 531967281 /nfs/dbraw/zinc/96/72/81/531967281.db2.gz QFYMBHNCXVTQSF-CABCVRRESA-N 0 0 397.313 2.458 10 0 GEAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cccnc1Br ZINC000120142388 531975172 /nfs/dbraw/zinc/97/51/72/531975172.db2.gz HHQLNELBBCNRDK-JTQLQIEISA-N 0 0 381.234 2.239 10 0 GEAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Br)cc2)C1 ZINC000120256977 531980213 /nfs/dbraw/zinc/98/02/13/531980213.db2.gz GPMXBLZOHZZEQP-GFCCVEGCSA-N 0 0 376.272 2.164 10 0 GEAERN Cc1csc([C@@H]2CCCN(C(=O)CCCS(=O)(=O)N3CCCC3)C2)n1 ZINC000173073701 531984434 /nfs/dbraw/zinc/98/44/34/531984434.db2.gz SXDRSSVHLBPWTO-OAHLLOKOSA-N 0 0 385.555 2.363 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)c3cc(Br)cn3C(C)C)CCO2)[nH]1 ZINC000173086117 531986429 /nfs/dbraw/zinc/98/64/29/531986429.db2.gz MOJMCPYVSUROJK-ZDUSSCGKSA-N 0 0 382.262 2.472 10 0 GEAERN O=C([C@H]1CNC(=O)C1)N1CCC[C@H]1c1ccc(I)cc1 ZINC000173324817 532004888 /nfs/dbraw/zinc/00/48/88/532004888.db2.gz OIODTCYOBCQYRK-YPMHNXCESA-N 0 0 384.217 2.091 10 0 GEAERN O=C(Nc1cc(Br)c(F)cc1Cl)C(=O)N1CCC[C@@H]1CO ZINC000121140832 532015315 /nfs/dbraw/zinc/01/53/15/532015315.db2.gz JTKSMZQCWSYUKW-SSDOTTSWSA-N 0 0 379.613 2.163 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)CCc3ccccc3Br)CCO2)[nH]1 ZINC000173543510 532018639 /nfs/dbraw/zinc/01/86/39/532018639.db2.gz UYENNCNLJWJJGY-CQSZACIVSA-N 0 0 379.258 2.408 10 0 GEAERN CCc1nccn1[C@@H]1CCCN(C(=O)c2c[nH]c(=O)c(Br)c2)C1 ZINC000173572058 532021373 /nfs/dbraw/zinc/02/13/73/532021373.db2.gz KLPGFCSMVBCERW-GFCCVEGCSA-N 0 0 379.258 2.374 10 0 GEAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CCO2)[nH]1 ZINC000173733729 532028637 /nfs/dbraw/zinc/02/86/37/532028637.db2.gz FIDNBCVAXSKGRM-LBPRGKRZSA-N 0 0 377.253 2.182 10 0 GEAERN O=C(NCCc1ccc(Br)s1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173768593 532032494 /nfs/dbraw/zinc/03/24/94/532032494.db2.gz NFHZHNSUUSLPIX-GFCCVEGCSA-N 0 0 388.331 2.169 10 0 GEAERN COc1ccc(Br)cc1CNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173797379 532033967 /nfs/dbraw/zinc/03/39/67/532033967.db2.gz AZXOGWDGLZSMRN-HNNXBMFYSA-N 0 0 398.301 2.074 10 0 GEAERN COc1ccc(Br)cc1CC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000173807556 532035205 /nfs/dbraw/zinc/03/52/05/532035205.db2.gz QQKNXBAITRLKBD-CJNGLKHVSA-N 0 0 397.313 2.179 10 0 GEAERN CCc1nnc([C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3Cl)CCO2)[nH]1 ZINC000173839175 532037247 /nfs/dbraw/zinc/03/72/47/532037247.db2.gz LMRLTUPGNKAXKG-JTQLQIEISA-N 0 0 391.280 2.436 10 0 GEAERN C[C@@H]1CN(C(=O)COc2ccc(Br)cc2)C[C@H]1N1CCOCC1 ZINC000173824143 532035880 /nfs/dbraw/zinc/03/58/80/532035880.db2.gz IALOYTCAIZXBBK-CZUORRHYSA-N 0 0 383.286 2.007 10 0 GEAERN O=C(NCCc1ccc(Br)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173891102 532039847 /nfs/dbraw/zinc/03/98/47/532039847.db2.gz XRFYYYBCOLZGBL-MRXNPFEDSA-N 0 0 382.302 2.108 10 0 GEAERN Brc1cccc(-c2noc(CN3CC[C@H](N4CCOCC4)C3)n2)c1 ZINC000173905950 532042169 /nfs/dbraw/zinc/04/21/69/532042169.db2.gz PWUOJYPUDFLJQC-HNNXBMFYSA-N 0 0 393.285 2.406 10 0 GEAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000121732546 532043719 /nfs/dbraw/zinc/04/37/19/532043719.db2.gz GBLXQWZZXTWHLE-LBPRGKRZSA-N 0 0 392.257 2.193 10 0 GEAERN Ic1ccc2ncnc(N[C@H]3CCc4ncnn4C3)c2c1 ZINC000174742666 532075398 /nfs/dbraw/zinc/07/53/98/532075398.db2.gz LEILTEWCUCDKCT-JTQLQIEISA-N 0 0 392.204 2.253 10 0 GEAERN CC(=O)N[C@H]1CCCN(c2ncnc3ccc(I)cc32)C1 ZINC000174690604 532074302 /nfs/dbraw/zinc/07/43/02/532074302.db2.gz AVXZFHDKJBYIHG-LBPRGKRZSA-N 0 0 396.232 2.339 10 0 GEAERN O=C(CCCc1ccc(Cl)c(Cl)c1)NC[C@H](O)CN1CCOCC1 ZINC000122605332 532077250 /nfs/dbraw/zinc/07/72/50/532077250.db2.gz SDBANMXVMDLMPF-AWEZNQCLSA-N 0 0 375.296 2.125 10 0 GEAERN O=C(c1cncc(I)c1)N1CCC(c2cc[nH]n2)CC1 ZINC000122796389 532082397 /nfs/dbraw/zinc/08/23/97/532082397.db2.gz VWVMPYIPFYZJIE-UHFFFAOYSA-N 0 0 382.205 2.429 10 0 GEAERN COc1ccc(Br)c(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000175221745 532093854 /nfs/dbraw/zinc/09/38/54/532093854.db2.gz PFRHTRHWEBXEID-GFCCVEGCSA-N 0 0 389.315 2.317 10 0 GEAERN Cn1cc([C@@H]2CCN(CCS(=O)(=O)c3cccc(Br)c3)C2)cn1 ZINC000175680747 532111555 /nfs/dbraw/zinc/11/15/55/532111555.db2.gz JPGMLHPOQWZVRF-CYBMUJFWSA-N 0 0 398.326 2.446 10 0 GEAERN O=C(NCCNC(=O)c1ccc(Br)cc1)N[C@H]1CCCC[C@H]1CO ZINC000175990331 532122325 /nfs/dbraw/zinc/12/23/25/532122325.db2.gz PJJMBRPSGSYHOB-ZFWWWQNUSA-N 0 0 398.301 2.029 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccc(C)c(Br)c1 ZINC000176019432 532122865 /nfs/dbraw/zinc/12/28/65/532122865.db2.gz VFHZRCUEKHIFIM-ZDUSSCGKSA-N 0 0 392.257 2.247 10 0 GEAERN COc1cc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)ccc1Br ZINC000176065306 532124828 /nfs/dbraw/zinc/12/48/28/532124828.db2.gz KDZVZETYHLBWKD-ZWNOBZJWSA-N 0 0 385.258 2.064 10 0 GEAERN COc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)ccc1Br ZINC000176065263 532124559 /nfs/dbraw/zinc/12/45/59/532124559.db2.gz KDZVZETYHLBWKD-GWCFXTLKSA-N 0 0 385.258 2.064 10 0 GEAERN O=C(NCc1cccs1)c1cc(NC(=O)[C@H]2CNC(=O)C2)ccc1Cl ZINC000175687572 532112270 /nfs/dbraw/zinc/11/22/70/532112270.db2.gz NRDUGVXEJKEURC-SNVBAGLBSA-N 0 0 377.853 2.406 10 0 GEAERN C[C@@H]1CN(C(=O)NCc2sccc2Br)C[C@@H]1N1CCOCC1 ZINC000175730747 532112737 /nfs/dbraw/zinc/11/27/37/532112737.db2.gz ZHZIZFMTQYBFIV-YPMHNXCESA-N 0 0 388.331 2.373 10 0 GEAERN C[C@@H](Cc1ccccc1Br)NC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000124067498 532113451 /nfs/dbraw/zinc/11/34/51/532113451.db2.gz BTNKQTHQHHPOBL-GOEBONIOSA-N 0 0 396.329 2.496 10 0 GEAERN O=C(NCCOc1ccc(Br)cc1)N[C@H]1CCCn2ncnc21 ZINC000176461224 532138567 /nfs/dbraw/zinc/13/85/67/532138567.db2.gz IIHKYZHYOURAIG-ZDUSSCGKSA-N 0 0 380.246 2.254 10 0 GEAERN O=C(Cc1cccc(I)c1)N[C@@H]1CCCn2ncnc21 ZINC000124613558 532124970 /nfs/dbraw/zinc/12/49/70/532124970.db2.gz NSZGPDJQSSCLBU-GFCCVEGCSA-N 0 0 382.205 2.077 10 0 GEAERN CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)c1cc(C(N)=O)cs1 ZINC000176526018 532139878 /nfs/dbraw/zinc/13/98/78/532139878.db2.gz WAJDFOUDLNRWFF-ZDUSSCGKSA-N 0 0 379.507 2.054 10 0 GEAERN CNc1cc(N2CCC[C@@H]2CNc2ncc(Br)c(OC)n2)ncn1 ZINC000176248172 532131746 /nfs/dbraw/zinc/13/17/46/532131746.db2.gz QVHKYNHQMOMRAO-SNVBAGLBSA-N 0 0 394.277 2.160 10 0 GEAERN C[C@@H](CNC(=O)NC[C@H](O)c1c(Cl)cccc1Cl)N1CCOCC1 ZINC000125390037 532135289 /nfs/dbraw/zinc/13/52/89/532135289.db2.gz PNKAAZYZHWQHLT-FZMZJTMJSA-N 0 0 376.284 2.047 10 0 GEAERN O=C(NCCS(=O)(=O)NCC1CCC1)N1CCCC[C@H]1c1nccs1 ZINC000176345725 532135321 /nfs/dbraw/zinc/13/53/21/532135321.db2.gz LFSGKBNKUJUTOB-AWEZNQCLSA-N 0 0 386.543 2.099 10 0 GEAERN CC[C@H](NC(=O)N[C@H](C)c1cccc(Br)c1)C(=O)N1CCOCC1 ZINC000176392371 532135775 /nfs/dbraw/zinc/13/57/75/532135775.db2.gz FRTPDFVUTNUIFY-DOMZBBRYSA-N 0 0 398.301 2.447 10 0 GEAERN CC(C)n1ccnc1C[S@](=O)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000176833643 532151592 /nfs/dbraw/zinc/15/15/92/532151592.db2.gz QPFIDIGSRWEXEB-XMMPIXPASA-N 0 0 385.511 2.290 10 0 GEAERN COc1cc(Cl)c(C)cc1NC(=O)C[S@@](=O)Cc1nnnn1C(C)C ZINC000176561941 532140996 /nfs/dbraw/zinc/14/09/96/532140996.db2.gz IINGNIWMPPVODT-VWLOTQADSA-N 0 0 385.877 2.112 10 0 GEAERN COc1cc(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)ccc1Br ZINC000177398040 532170389 /nfs/dbraw/zinc/17/03/89/532170389.db2.gz BAZCFZRKEFMUGM-ZDUSSCGKSA-N 0 0 396.285 2.093 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(F)cc1Br ZINC000177006754 532158912 /nfs/dbraw/zinc/15/89/12/532158912.db2.gz RGLAPBKULQSOFX-LLVKDONJSA-N 0 0 389.250 2.302 10 0 GEAERN COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(Br)c2C)C1 ZINC000177138097 532162939 /nfs/dbraw/zinc/16/29/39/532162939.db2.gz PAIPSDVJTLESNZ-LLVKDONJSA-N 0 0 383.242 2.108 10 0 GEAERN COc1cc(C(=O)N[C@@H]2CCCn3ncnc32)cc(OC)c1Br ZINC000177575117 532176902 /nfs/dbraw/zinc/17/69/02/532176902.db2.gz WZXFZIHXLNSATF-SNVBAGLBSA-N 0 0 381.230 2.323 10 0 GEAERN C[C@@H]1COC[C@H](C)N1C(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000131310602 532195821 /nfs/dbraw/zinc/19/58/21/532195821.db2.gz RVNLLAGZZCIRQG-DTORHVGOSA-N 0 0 394.262 2.241 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000178182135 532195999 /nfs/dbraw/zinc/19/59/99/532195999.db2.gz VHYFFCZKLKYVGH-UONOGXRCSA-N 0 0 394.273 2.217 10 0 GEAERN CNC(=O)[C@H](NC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1)C(C)C ZINC000178587730 532206430 /nfs/dbraw/zinc/20/64/30/532206430.db2.gz SDBRRGHQBNZJQP-HZPDHXFCSA-N 0 0 396.329 2.473 10 0 GEAERN Cc1cccc(S(=O)(=O)N2CCC[C@@H](n3cncn3)C2)c1Br ZINC000178892632 532215712 /nfs/dbraw/zinc/21/57/12/532215712.db2.gz IPKXXMFKNBLRID-GFCCVEGCSA-N 0 0 385.287 2.375 10 0 GEAERN O=C(NCCNS(=O)(=O)c1cccs1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000133170809 532228965 /nfs/dbraw/zinc/22/89/65/532228965.db2.gz PWAKNZVDKOINAH-NWDGAFQWSA-N 0 0 386.445 2.225 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(Br)cc1C ZINC000133417062 532234414 /nfs/dbraw/zinc/23/44/14/532234414.db2.gz UGTWXKGCCIWAPB-GFCCVEGCSA-N 0 0 385.287 2.471 10 0 GEAERN CC(=O)N1CCN(C(=O)CN[C@H](C)c2c(Cl)ccc(F)c2Cl)CC1 ZINC000179538071 532234836 /nfs/dbraw/zinc/23/48/36/532234836.db2.gz ARERUGFQFGAIBW-SNVBAGLBSA-N 0 0 376.259 2.474 10 0 GEAERN O=C(CNC(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000179759599 532242671 /nfs/dbraw/zinc/24/26/71/532242671.db2.gz HUGBUQIDMZCEMS-SMDDNHRTSA-N 0 0 386.279 2.255 10 0 GEAERN O=C(N[C@H]1CCc2ncnn2C1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000133990384 532248046 /nfs/dbraw/zinc/24/80/46/532248046.db2.gz XYJDZKIQLSURFM-LBPRGKRZSA-N 0 0 384.267 2.104 10 0 GEAERN Cc1ccc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c(Br)n1 ZINC000179892709 532248486 /nfs/dbraw/zinc/24/84/86/532248486.db2.gz GFDJAAXKRDIQOG-YVEFUNNKSA-N 0 0 396.285 2.245 10 0 GEAERN C[C@H](NS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1)[C@H]1CCCO1 ZINC000179907892 532249656 /nfs/dbraw/zinc/24/96/56/532249656.db2.gz IHFGTYCMKHOLAJ-GXTWGEPZSA-N 0 0 388.555 2.299 10 0 GEAERN CS(=O)(=O)CCCC(=O)N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000179952206 532251808 /nfs/dbraw/zinc/25/18/08/532251808.db2.gz NCSATUYORGBSEY-ZIAGYGMSSA-N 0 0 379.400 2.165 10 0 GEAERN CCn1c(C)nnc1CS(=O)(=O)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000180049899 532254786 /nfs/dbraw/zinc/25/47/86/532254786.db2.gz UTVHCNVKNRNAES-UHFFFAOYSA-N 0 0 381.845 2.425 10 0 GEAERN Cc1ccc(Cl)cc1NC(=O)CS(=O)(=O)Cc1nnc(C2CC2)n1C ZINC000180069352 532256002 /nfs/dbraw/zinc/25/60/02/532256002.db2.gz LUBIHGSAJAMDCM-UHFFFAOYSA-N 0 0 382.873 2.208 10 0 GEAERN CCn1c(C)nnc1CS(=O)(=O)[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000180093349 532257154 /nfs/dbraw/zinc/25/71/54/532257154.db2.gz QIBQIALQHRRAKI-VIFPVBQESA-N 0 0 388.852 2.341 10 0 GEAERN Cc1nnc([C@H]2CN(Cc3cc(Br)c4c(c3)OCCO4)CCO2)[nH]1 ZINC000180108643 532258247 /nfs/dbraw/zinc/25/82/47/532258247.db2.gz XUJOGPVEVGJPGQ-CQSZACIVSA-N 0 0 395.257 2.220 10 0 GEAERN O=C(COc1ccccc1Br)N1CCCN(c2cccnn2)CC1 ZINC000134630244 532259532 /nfs/dbraw/zinc/25/95/32/532259532.db2.gz KHMAXBCTINZCBK-UHFFFAOYSA-N 0 0 391.269 2.357 10 0 GEAERN C[C@H]1CN(Cc2cnc3ccc(Br)cn23)C[C@@H]1N1CCOCC1 ZINC000180225121 532261842 /nfs/dbraw/zinc/26/18/42/532261842.db2.gz IPSAKISAIWPCCD-BBRMVZONSA-N 0 0 379.302 2.249 10 0 GEAERN CCOCCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1C[C@H]1C ZINC000181105526 532291861 /nfs/dbraw/zinc/29/18/61/532291861.db2.gz NDYHUXQJIDALDU-PWSUYJOCSA-N 0 0 385.258 2.328 10 0 GEAERN C[C@H]1CN(S(=O)(=O)c2cccc(I)c2)C[C@H](C)O1 ZINC000150989900 532305424 /nfs/dbraw/zinc/30/54/24/532305424.db2.gz WVVNXLUYRWYYPN-UWVGGRQHSA-N 0 0 381.235 2.089 10 0 GEAERN C[C@@H]1CN(S(=O)(=O)c2cccc(I)c2)CCS1 ZINC000151155720 532307884 /nfs/dbraw/zinc/30/78/84/532307884.db2.gz OUWWXYLSYVXVPA-SECBINFHSA-N 0 0 383.276 2.417 10 0 GEAERN CCc1nnc(CSc2nnnn2-c2ccc(Br)cc2)n1C ZINC000182188046 532310231 /nfs/dbraw/zinc/31/02/31/532310231.db2.gz TZMCXNWJPBPWTJ-UHFFFAOYSA-N 0 0 380.275 2.408 10 0 GEAERN CN(Cc1ncc(Cl)n1C)C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000182261432 532311174 /nfs/dbraw/zinc/31/11/74/532311174.db2.gz YIPLYEPMYAXOPH-LBPRGKRZSA-N 0 0 382.873 2.134 10 0 GEAERN CC(C)c1nnc(CS(=O)(=O)CC(=O)Nc2ccc(F)c(Cl)c2)n1C ZINC000182386844 532312508 /nfs/dbraw/zinc/31/25/08/532312508.db2.gz BHSZDXMSIFDDDZ-UHFFFAOYSA-N 0 0 388.852 2.285 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)Nc3cnc(Br)c(C)c3)CCO2)[nH]1 ZINC000182458499 532313619 /nfs/dbraw/zinc/31/36/19/532313619.db2.gz SMHZISHLEJYDNN-LLVKDONJSA-N 0 0 381.234 2.184 10 0 GEAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000185118691 532336804 /nfs/dbraw/zinc/33/68/04/532336804.db2.gz FDTHDCDZFFRIKJ-LLVKDONJSA-N 0 0 377.750 2.034 10 0 GEAERN CN1CCO[C@@H](CNC(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)C1 ZINC000185991325 532339479 /nfs/dbraw/zinc/33/94/79/532339479.db2.gz GXGKCZCMTLLURB-LBPRGKRZSA-N 0 0 391.299 2.176 10 0 GEAERN CN1CCO[C@H](CN[C@@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000186262816 532340365 /nfs/dbraw/zinc/34/03/65/532340365.db2.gz KYSKZKMLICBVES-SJORKVTESA-N 0 0 377.286 2.249 10 0 GEAERN C[C@@H](CNS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1)N1CCOCC1 ZINC000186331542 532340688 /nfs/dbraw/zinc/34/06/88/532340688.db2.gz WTCWEUHRQHWJEI-JTQLQIEISA-N 0 0 386.823 2.358 10 0 GEAERN C[C@H](Oc1cccc(Br)c1)C(=O)N1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000186627154 532341479 /nfs/dbraw/zinc/34/14/79/532341479.db2.gz BRGVZGOPLYDKJV-LBPRGKRZSA-N 0 0 399.285 2.224 10 0 GEAERN CNC(=O)[C@H](NCc1nc(Cc2cccc(Br)c2)no1)C(C)C ZINC000183642510 532326927 /nfs/dbraw/zinc/32/69/27/532326927.db2.gz JLDFEYSSBATJSV-OAHLLOKOSA-N 0 0 381.274 2.283 10 0 GEAERN CNC(=O)[C@H](NCc1noc(Cc2ccc(Br)cc2)n1)C(C)C ZINC000183664483 532327454 /nfs/dbraw/zinc/32/74/54/532327454.db2.gz WVNMQQDPYSIQBC-OAHLLOKOSA-N 0 0 381.274 2.283 10 0 GEAERN Cc1csc([C@@H]2CCCN(S(=O)(=O)c3cnn(CC(F)F)c3)C2)n1 ZINC000187224770 532343505 /nfs/dbraw/zinc/34/35/05/532343505.db2.gz XVXUMVUPJLEXGP-LLVKDONJSA-N 0 0 376.454 2.481 10 0 GEAERN CC(C)n1nnnc1C[S@@](=O)Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000184623854 532333851 /nfs/dbraw/zinc/33/38/51/532333851.db2.gz WADHLTNKEHIWLO-VWLOTQADSA-N 0 0 379.877 2.152 10 0 GEAERN COc1cc(C)c(Br)cc1NC(=O)C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000184643223 532334123 /nfs/dbraw/zinc/33/41/23/532334123.db2.gz IDNMJAJMUXXUMX-QWRGUYRKSA-N 0 0 385.258 2.340 10 0 GEAERN Cc1nnc([C@H]2CN(Cc3nc4cc(Br)ccc4[nH]3)CCO2)[nH]1 ZINC000184975699 532336431 /nfs/dbraw/zinc/33/64/31/532336431.db2.gz XFLORDFIUQKYAN-CYBMUJFWSA-N 0 0 377.246 2.325 10 0 GEAERN Cc1c(Br)cccc1CC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000188423079 532348050 /nfs/dbraw/zinc/34/80/50/532348050.db2.gz NWEIUQMPXSIDKP-SUMWQHHRSA-N 0 0 381.314 2.479 10 0 GEAERN Cc1noc([C@H]2COCCN2Cc2cnc3ccc(Br)cn23)n1 ZINC000188473203 532348441 /nfs/dbraw/zinc/34/84/41/532348441.db2.gz URHTZERPRYCZJO-CYBMUJFWSA-N 0 0 378.230 2.362 10 0 GEAERN CCOc1c(Br)cc(C(=O)N2CCCNC(=O)[C@H]2C)cc1OC ZINC000188866854 532349810 /nfs/dbraw/zinc/34/98/10/532349810.db2.gz VRWYOCAVZWOMSP-SNVBAGLBSA-N 0 0 385.258 2.207 10 0 GEAERN CNS(=O)(=O)CCNC(=O)[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000188905363 532350094 /nfs/dbraw/zinc/35/00/94/532350094.db2.gz URMRLTNQWCKUCL-OCCSQVGLSA-N 0 0 395.308 2.127 10 0 GEAERN O=C(NOCc1ccc(F)cc1Br)N[C@@H]1CCCn2ncnc21 ZINC000189200598 532351240 /nfs/dbraw/zinc/35/12/40/532351240.db2.gz ITBPFBFWILZARM-GFCCVEGCSA-N 0 0 384.209 2.446 10 0 GEAERN CCOc1ccnc(N2CCN(C(=O)c3ncc(Br)s3)CC2)n1 ZINC000189346780 532351802 /nfs/dbraw/zinc/35/18/02/532351802.db2.gz ULBNMAXBMFFUCF-UHFFFAOYSA-N 0 0 398.286 2.057 10 0 GEAERN CC(C)[C@H](NC(=O)Nc1ccnn1Cc1ccc(Br)cc1)C(N)=O ZINC000189430164 532352229 /nfs/dbraw/zinc/35/22/29/532352229.db2.gz LBCKLVBQVFLTAG-AWEZNQCLSA-N 0 0 394.273 2.325 10 0 GEAERN O=S(=O)(CCc1ccc2c(c1)CCO2)N1CCO[C@@H](c2nccs2)C1 ZINC000189604030 532352872 /nfs/dbraw/zinc/35/28/72/532352872.db2.gz FWHQISAAXDFWID-MRXNPFEDSA-N 0 0 380.491 2.024 10 0 GEAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)Cc3ccc(Cl)c(F)c3)CCO2)c1 ZINC000189612621 532352975 /nfs/dbraw/zinc/35/29/75/532352975.db2.gz LPXDJYADHLILHH-AWEZNQCLSA-N 0 0 387.864 2.215 10 0 GEAERN CC[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)CCN1CCOC ZINC000189631305 532352991 /nfs/dbraw/zinc/35/29/91/532352991.db2.gz ISJAKYKCXKFBFW-CQSZACIVSA-N 0 0 378.897 2.352 10 0 GEAERN CCc1nnc([C@@H]2CN(S(=O)(=O)Cc3ccc(Cl)c(F)c3)CCO2)[nH]1 ZINC000189672139 532353213 /nfs/dbraw/zinc/35/32/13/532353213.db2.gz SQMUFCSAALLEML-ZDUSSCGKSA-N 0 0 388.852 2.063 10 0 GEAERN C[C@@H](NC(=O)C(=O)Nc1cc(Br)c(F)cc1F)[C@@H]1CCCO1 ZINC000190771986 532357864 /nfs/dbraw/zinc/35/78/64/532357864.db2.gz NISFNKMEDUQSNG-KRTXAFLBSA-N 0 0 377.185 2.350 10 0 GEAERN Cn1c(CSCCN(Cc2ccccc2)S(C)(=O)=O)nnc1C1CC1 ZINC000190998984 532359063 /nfs/dbraw/zinc/35/90/63/532359063.db2.gz PTNHHQGXGIGPKM-UHFFFAOYSA-N 0 0 380.539 2.388 10 0 GEAERN C[C@@H](CNC(=O)N1CC(NC(=O)C2CC2)C1)Oc1ccccc1Br ZINC000187433659 532344451 /nfs/dbraw/zinc/34/44/51/532344451.db2.gz CWLINSIPGBQIRL-NSHDSACASA-N 0 0 396.285 2.136 10 0 GEAERN O=C(c1c[nH]c(=O)c(Br)c1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187757196 532345392 /nfs/dbraw/zinc/34/53/92/532345392.db2.gz ARMWMCIGEWVAJX-RYUDHWBXSA-N 0 0 383.267 2.047 10 0 GEAERN CC(=O)NC1CN(C(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)C1 ZINC000191506440 532361243 /nfs/dbraw/zinc/36/12/43/532361243.db2.gz NRUCTKQOXWRGDO-UHFFFAOYSA-N 0 0 391.269 2.212 10 0 GEAERN Cc1c(Br)cccc1CC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000191590019 532361512 /nfs/dbraw/zinc/36/15/12/532361512.db2.gz RTTGMZMCCDUKPY-OAHLLOKOSA-N 0 0 378.270 2.424 10 0 GEAERN Cc1ccc(Br)nc1C(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000191680876 532362071 /nfs/dbraw/zinc/36/20/71/532362071.db2.gz PISSMQDMUVANOL-GFCCVEGCSA-N 0 0 376.258 2.341 10 0 GEAERN O=C(Nc1cccc(Cl)c1Br)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000192088418 532386059 /nfs/dbraw/zinc/38/60/59/532386059.db2.gz MDYMARXQQLKSHB-SNVBAGLBSA-N 0 0 398.648 2.284 10 0 GEAERN COc1nc(N2CCC(N(C)c3cccnn3)CC2)ncc1Br ZINC000192164521 532390188 /nfs/dbraw/zinc/39/01/88/532390188.db2.gz BHEYEHZLQNMFLJ-UHFFFAOYSA-N 0 0 379.262 2.143 10 0 GEAERN Cn1nc(Br)cc1C(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000192199965 532394227 /nfs/dbraw/zinc/39/42/27/532394227.db2.gz AKVGBKHJMJBGTR-JOYOIKCWSA-N 0 0 386.196 2.409 10 0 GEAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1ncccc1Br ZINC000192516669 532404954 /nfs/dbraw/zinc/40/49/54/532404954.db2.gz DSSNENOMWOPHBA-LBPRGKRZSA-N 0 0 381.251 2.493 10 0 GEAERN C[C@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1c(Cl)cccc1Br ZINC000282288656 532453755 /nfs/dbraw/zinc/45/37/55/532453755.db2.gz KLMNCARNMOTCCP-GMSGAONNSA-N 0 0 381.679 2.048 10 0 GEAERN O=C(CCNS(=O)(=O)c1ccccc1Cl)N[C@@H]1COc2ccccc21 ZINC000195106137 532470140 /nfs/dbraw/zinc/47/01/40/532470140.db2.gz ATXMYVCZFKSRCW-CQSZACIVSA-N 0 0 380.853 2.258 10 0 GEAERN C[C@H]1CN(CC(=O)Nc2ccccc2Br)C[C@H]1N1CCOCC1 ZINC000246571066 532541146 /nfs/dbraw/zinc/54/11/46/532541146.db2.gz VOBZBHATKGDGGO-XJKSGUPXSA-N 0 0 382.302 2.040 10 0 GEAERN COc1cc(Cl)c(S(=O)(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)cc1Cl ZINC000246222850 532533812 /nfs/dbraw/zinc/53/38/12/532533812.db2.gz VKKMBILUHBIGQG-MNOVXSKESA-N 0 0 397.324 2.078 10 0 GEAERN C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000248896553 532557467 /nfs/dbraw/zinc/55/74/67/532557467.db2.gz VJGIOYGGDNTLNP-ZJUUUORDSA-N 0 0 376.837 2.035 10 0 GEAERN COCCN1CCN([C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H]1C ZINC000249260711 532562681 /nfs/dbraw/zinc/56/26/81/532562681.db2.gz ITWBQYYJVLOVQG-PBHICJAKSA-N 0 0 396.329 2.207 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000262440979 532594755 /nfs/dbraw/zinc/59/47/55/532594755.db2.gz AVAMCRTULKWMKL-UHFFFAOYSA-N 0 0 381.281 2.209 10 0 GEAERN C[C@H](NC(=O)[C@@H]1CC(F)(F)CN1)c1cc2c(cc1Br)OCCO2 ZINC000263079761 532613825 /nfs/dbraw/zinc/61/38/25/532613825.db2.gz XLNIEWXVMWZTKM-KWQFWETISA-N 0 0 391.212 2.395 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CCc2ccccc2Br)C1 ZINC000262713326 532597415 /nfs/dbraw/zinc/59/74/15/532597415.db2.gz MMYZDLBJJLRCAZ-UHFFFAOYSA-N 0 0 383.286 2.435 10 0 GEAERN O=C([C@H]1CC(F)(F)CN1)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000262904055 532606162 /nfs/dbraw/zinc/60/61/62/532606162.db2.gz DXNPTPBMMZFUKB-LLVKDONJSA-N 0 0 394.285 2.152 10 0 GEAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(c2ccc3cccc(Br)c3n2)CCO1 ZINC000263432994 532624095 /nfs/dbraw/zinc/62/40/95/532624095.db2.gz UGCFQRSWYKQITG-ZDUSSCGKSA-N 0 0 394.269 2.219 10 0 GEAERN Cc1cc(I)ccc1NC(=O)CN1CCC[C@@H](O)[C@@H]1C ZINC000384776531 532703067 /nfs/dbraw/zinc/70/30/67/532703067.db2.gz SSAHLDWOLNZFJL-SMDDNHRTSA-N 0 0 388.249 2.383 10 0 GEAERN CN(C)[C@@H](CNc1ccccc1S(=O)(=O)C(F)(F)F)c1cnn(C)c1 ZINC000301263638 532747483 /nfs/dbraw/zinc/74/74/83/532747483.db2.gz DQKQOLPPCWBKRQ-ZDUSSCGKSA-N 0 0 376.404 2.428 10 0 GEAERN CN1CCO[C@H]2CN(c3cnn(-c4ccc(Cl)cc4)c(=O)c3Cl)C[C@H]21 ZINC000301629264 532756499 /nfs/dbraw/zinc/75/64/99/532756499.db2.gz BXKIMVQYAIRNTH-CABCVRRESA-N 0 0 381.263 2.059 10 0 GEAERN CCC1(CC)CN(c2ccc(C(=O)Nc3nncs3)cn2)CC[S@@]1=O ZINC000302231012 532768623 /nfs/dbraw/zinc/76/86/23/532768623.db2.gz XKOJKXOTKQYOBV-VWLOTQADSA-N 0 0 379.511 2.313 10 0 GEAERN NC(=O)c1cnc(N2CCC[C@@H]2c2nc(C(=O)NC3CC3)no2)c(Cl)c1 ZINC000328629140 206234571 /nfs/dbraw/zinc/23/45/71/206234571.db2.gz OLESYKSWTMIORJ-LLVKDONJSA-N 0 0 376.804 2.235 10 0 GEAERN Cn1c(Nc2ccc(C(N)=O)cc2)nnc(CSc2ccc(F)cc2)c1=O ZINC000334162512 206255477 /nfs/dbraw/zinc/25/54/77/206255477.db2.gz OWGSQGCYTGOENS-UHFFFAOYSA-N 0 0 385.424 2.449 10 0 GEAERN Cc1ccc(S(=O)(=O)N[C@H]2Cc3ccc(C4=NNC(=O)CC4)cc3C2)cc1 ZINC000000838095 206290517 /nfs/dbraw/zinc/29/05/17/206290517.db2.gz HPHBEFJDQBZDEF-KRWDZBQOSA-N 0 0 383.473 2.055 10 0 GEAERN Cc1c(N(CNC(=O)c2cccnc2)C(C)C)c(=O)n(-c2ccccc2)n1C ZINC000000538089 206290228 /nfs/dbraw/zinc/29/02/28/206290228.db2.gz MZQAQBDIKUFBSF-UHFFFAOYSA-N 0 0 379.464 2.482 10 0 in-man GEAERN COc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)CS(=O)(=O)C3)cc1OC ZINC000003008422 206292409 /nfs/dbraw/zinc/29/24/09/206292409.db2.gz WGJPUDLYBUCKOU-UHFFFAOYSA-N 0 0 393.465 2.336 10 0 GEAERN COc1c(N2C[C@H](C)[NH2+][C@@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21 ZINC000005930098 206293043 /nfs/dbraw/zinc/29/30/43/206293043.db2.gz PDLYJBPWYAMEFJ-QWRGUYRKSA-N 0 0 389.427 2.369 10 0 GEAERN CCc1ccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)N2CCOCC2)cc1 ZINC000003037358 206454851 /nfs/dbraw/zinc/45/48/51/206454851.db2.gz DPXVDOZPOVXHHU-OAQYLSRUSA-N 0 0 381.432 2.305 10 0 GEAERN CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(c2ccccc2C)=NO1 ZINC000006872533 206687988 /nfs/dbraw/zinc/68/79/88/206687988.db2.gz TVPQGBIUSKGNDX-PMACEKPBSA-N 0 0 379.460 2.352 10 0 GEAERN C[C@@H]1CCCN(C(=O)c2ccc(NC3=N[C@@H]4CS(=O)(=O)C[C@@H]4S3)cc2)C1 ZINC000006918184 206694790 /nfs/dbraw/zinc/69/47/90/206694790.db2.gz UXFOFOSSINHHES-WQVCFCJDSA-N 0 0 393.534 2.239 10 0 GEAERN COc1cccc(OC[C@@H](O)CNC(=O)c2cc(Cc3ccccc3)no2)c1 ZINC000014974581 207037476 /nfs/dbraw/zinc/03/74/76/207037476.db2.gz BTTPTTVTPQBFST-KRWDZBQOSA-N 0 0 382.416 2.444 10 0 GEAERN COc1cccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c1 ZINC000015731640 207058692 /nfs/dbraw/zinc/05/86/92/207058692.db2.gz IXAGLJOSFMESRN-UHFFFAOYSA-N 0 0 388.445 2.017 10 0 GEAERN O=C(NC1CC1)c1cn(CC[C@@H]2CCCCN2C(=O)c2ccccc2F)nn1 ZINC000019884574 207168751 /nfs/dbraw/zinc/16/87/51/207168751.db2.gz SGWODGKOBAUJSP-HNNXBMFYSA-N 0 0 385.443 2.394 10 0 GEAERN O=C(CCn1cncn1)N1CCC[C@H]1c1ccc(C(=O)Nc2cc[nH]n2)s1 ZINC000020149320 207181001 /nfs/dbraw/zinc/18/10/01/207181001.db2.gz LMGIVPRHUSOEKO-LBPRGKRZSA-N 0 0 385.453 2.069 10 0 GEAERN Cc1csc(NC(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)CC2)n1 ZINC000020354688 207188675 /nfs/dbraw/zinc/18/86/75/207188675.db2.gz RKRWGOAHFWAUAC-CQSZACIVSA-N 0 0 392.525 2.276 10 0 GEAERN CC(C)N1C[C@H](C(=O)Nc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)CC1=O ZINC000020370018 207190382 /nfs/dbraw/zinc/19/03/82/207190382.db2.gz WGUNAQGTSUOSSI-YQQAZPJKSA-N 0 0 387.480 2.131 10 0 GEAERN c1c(CC2(NCc3cnc4ccccc4c3)COC2)noc1CN1CCOCC1 ZINC000067898374 207191683 /nfs/dbraw/zinc/19/16/83/207191683.db2.gz IEZMCCUPICCOCU-UHFFFAOYSA-N 0 0 394.475 2.156 10 0 GEAERN O=C([C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1)N1CCCCCC1 ZINC000021026260 207225061 /nfs/dbraw/zinc/22/50/61/207225061.db2.gz GIYUWOVUSYVOAZ-AWEZNQCLSA-N 0 0 377.514 2.284 10 0 GEAERN CCN1CCN(C(=O)CN2c3ccccc3-n3cccc3SCC2=O)CC1 ZINC000021088583 207226022 /nfs/dbraw/zinc/22/60/22/207226022.db2.gz SKGIWTLSJNJPOA-UHFFFAOYSA-N 0 0 384.505 2.080 10 0 GEAERN CCc1ccc(OCNc2cc3c(cc2N(C)C)n(C)c(=O)c(=O)n3C)cc1 ZINC000021663289 207233686 /nfs/dbraw/zinc/23/36/86/207233686.db2.gz YVQJGPKENSXUGI-UHFFFAOYSA-N 0 0 382.464 2.314 10 0 GEAERN CC[C@H](C)NC(=O)CN1c2cc(C(=O)N(C)C)ccc2N2CCCC[C@@H]2C1=O ZINC000021941992 207243888 /nfs/dbraw/zinc/24/38/88/207243888.db2.gz YWPIJBHHKKCDTR-WMLDXEAASA-N 0 0 386.496 2.009 10 0 GEAERN CCN(CCC(=O)OC)S(=O)(=O)c1c(F)cc(F)cc1Br ZINC000038025003 207256898 /nfs/dbraw/zinc/25/68/98/207256898.db2.gz HQXCYAVSBMUBCG-UHFFFAOYSA-N 0 0 386.214 2.301 10 0 GEAERN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)c3cc(C)[nH]c3C)C2=O)cc1OC ZINC000025147184 207302038 /nfs/dbraw/zinc/30/20/38/207302038.db2.gz CVULAICKAWYQCR-HXUWFJFHSA-N 0 0 385.420 2.299 10 0 GEAERN O=C(OC[C@@H]1O[C@@H](O)C(F)(F)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000065739743 207877134 /nfs/dbraw/zinc/87/71/34/207877134.db2.gz PRZDMMRKPZAYHW-HDMKZQKVSA-N 0 0 378.327 2.422 10 0 GEAERN O=C(N[C@@H]1CN(C(=O)Nc2ccc(F)cc2)CCC[C@H]1O)c1ccc(O)cc1 ZINC000015672227 208036371 /nfs/dbraw/zinc/03/63/71/208036371.db2.gz LVYIBPXMWSPADJ-QZTJIDSGSA-N 0 0 387.411 2.319 10 0 GEAERN NC(=O)c1ccc([C@@H]2CCCN2C(=O)CN2CCOc3ccccc3C2)s1 ZINC000082039670 208076624 /nfs/dbraw/zinc/07/66/24/208076624.db2.gz VEKXXTDAOYPOKI-HNNXBMFYSA-N 0 0 385.489 2.405 10 0 GEAERN COc1ccccc1-n1cc([C@H](C)NC(=O)c2cnc(C3CC3)[nH]c2=O)cn1 ZINC000091519150 208122640 /nfs/dbraw/zinc/12/26/40/208122640.db2.gz GJYRPGRAOKELME-LBPRGKRZSA-N 0 0 379.420 2.333 10 0 GEAERN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CNC(=O)CN2C(=O)OCc1ccccc1 ZINC000091302691 208114931 /nfs/dbraw/zinc/11/49/31/208114931.db2.gz ALYZEQUHIISTTO-FQEVSTJZSA-N 0 0 389.452 2.135 10 0 GEAERN NC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)Cc2ccc(F)cc2Cl)C1 ZINC000095511900 208212677 /nfs/dbraw/zinc/21/26/77/208212677.db2.gz DPPQFSFBGRWITD-ZDUSSCGKSA-N 0 0 378.835 2.110 10 0 GEAERN Nc1cnc2c(c1)c(I)cn2S(=O)(=O)c1ccccc1 ZINC000095936858 208240224 /nfs/dbraw/zinc/24/02/24/208240224.db2.gz NBHIMFHNKRQVMM-UHFFFAOYSA-N 0 0 399.213 2.460 10 0 GEAERN Cn1c(=O)[nH]c(N)c(NC(=O)C[C@@]2(Cl)C=CC(c3ccccc3)=CC2)c1=O ZINC000095930504 208240649 /nfs/dbraw/zinc/24/06/49/208240649.db2.gz ZRSYMVKVZPOJEL-LJQANCHMSA-N 0 0 386.839 2.006 10 0 GEAERN COc1cc2n[nH]nc2cc1C(=O)NCCOc1ccc(C(F)(F)F)cn1 ZINC000097373276 208353589 /nfs/dbraw/zinc/35/35/89/208353589.db2.gz WDHDFCQSDXRITR-UHFFFAOYSA-N 0 0 381.314 2.189 10 0 GEAERN O=C(NCCn1cccn1)c1ccc([C@H]2CCCN2C(=O)c2ccon2)s1 ZINC000020541502 208812817 /nfs/dbraw/zinc/81/28/17/208812817.db2.gz IBZMYNWHQPUUKF-CQSZACIVSA-N 0 0 385.449 2.340 10 0 GEAERN NS(=O)(=O)c1cc(Br)c([S@@](=O)c2ccc(F)cc2)s1 ZINC000211825944 208816930 /nfs/dbraw/zinc/81/69/30/208816930.db2.gz XLHCYZYVIPKSCN-SFHVURJKSA-N 0 0 384.273 2.464 10 0 GEAERN C[C@@H](CCc1ccc(OS(=O)(=O)[O-])cc1)[NH2+]C[C@H](O)c1ccc(O)cc1 ZINC000504409495 533661691 /nfs/dbraw/zinc/66/16/91/533661691.db2.gz NNKCOTNDZHALRJ-UGSOOPFHSA-N 0 0 381.450 2.218 10 0 GEAERN NC(=O)c1ccc(NC(=O)c2cn(-c3cc(N4CCCCC4)ncn3)cn2)cc1 ZINC000065239847 136160899 /nfs/dbraw/zinc/16/08/99/136160899.db2.gz DBKDOMCOOKUVSH-UHFFFAOYSA-N 0 0 391.435 2.004 10 0 GEAERN COc1nccnc1N1CCC2(CCC(=O)N(CCc3ccncc3)C2)CC1 ZINC000095367038 136178374 /nfs/dbraw/zinc/17/83/74/136178374.db2.gz BNGZVDMKWBGYSZ-UHFFFAOYSA-N 0 0 381.480 2.332 10 0 GEAERN O=C(c1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1=O)N1CCOCC1 ZINC000065172606 222106499 /nfs/dbraw/zinc/10/64/99/222106499.db2.gz QRETYTINRMZEMV-UHFFFAOYSA-N 0 0 382.464 2.297 10 0 GEAERN CCc1ccc([C@@]2(Cc3ccc(OC)c(OC)c3OC)NC(N)=NC2=O)cc1 ZINC000071974372 222202082 /nfs/dbraw/zinc/20/20/82/222202082.db2.gz PFGOYCXRTOMSJQ-OAQYLSRUSA-N 0 0 383.448 2.157 10 0 GEAERN O=C([O-])C[NH+]1CCN(c2cc(-c3ccccn3)nc(-c3ccccc3)n2)CC1 ZINC000073685422 527611022 /nfs/dbraw/zinc/61/10/22/527611022.db2.gz GFJPTFQAAZRVDE-UHFFFAOYSA-N 0 0 375.432 2.412 10 0 GEAERN O=C([O-])Cn1c2ccccc2c(=O)n(C2CC[NH+](Cc3ccccc3)CC2)c1=O ZINC000073658584 527641315 /nfs/dbraw/zinc/64/13/15/527641315.db2.gz DOCLPQLQAKBLRD-UHFFFAOYSA-N 0 0 393.443 2.085 10 0 GEAERN CCCNc1cc(N2CCC[C@H](CCC(=O)NCc3cnccn3)C2)ncn1 ZINC000065244924 535192928 /nfs/dbraw/zinc/19/29/28/535192928.db2.gz IYMHJADKGHPFQI-MRXNPFEDSA-N 0 0 383.500 2.402 10 0 GEAERN CN(C)CC(=O)Nc1ccc(-c2nc3cc(NC(=O)CN(C)C)ccc3o2)cc1 ZINC000005508949 570443487 /nfs/dbraw/zinc/44/34/87/570443487.db2.gz HXFRQMBQYBIFJD-UHFFFAOYSA-N 0 0 395.463 2.495 10 0 GEAERN CCN(C)c1ccnc(-c2cnn(CC(=O)Nc3nn(C)c4ccccc34)c2)n1 ZINC000055053453 570680487 /nfs/dbraw/zinc/68/04/87/570680487.db2.gz IQKPDNDNYLJXAX-UHFFFAOYSA-N 0 0 390.451 2.322 10 0 GEAERN CCCn1c(CN[C@H]2CCCN(c3nccn(C)c3=O)C2)nc2ccccc21 ZINC000275713048 570698895 /nfs/dbraw/zinc/69/88/95/570698895.db2.gz YKOFGMSYCBRNEO-INIZCTEOSA-N 0 0 380.496 2.299 10 0 GEAERN CC(C)c1ccc(NC(=O)c2cnc3sc(N4CCOCC4)nn3c2=O)cc1 ZINC000008603147 570734564 /nfs/dbraw/zinc/73/45/64/570734564.db2.gz YNHCMBNRKZQCNC-UHFFFAOYSA-N 0 0 399.476 2.363 10 0 GEAERN COc1cccc([C@@H]2C(C(=O)Nc3cccnc3)=C(C)Nc3nnnn32)c1OC ZINC000013123631 570763268 /nfs/dbraw/zinc/76/32/68/570763268.db2.gz MIIGSQXKJRXBEY-MRXNPFEDSA-N 0 0 393.407 2.013 10 0 GEAERN COC(=O)c1cnc(C[S@@](=O)c2nc3cc(OC)ccc3[nH]2)c(C)c1OC ZINC000065748296 570774692 /nfs/dbraw/zinc/77/46/92/570774692.db2.gz PSGWLKSVKMHJHJ-MHZLTWQESA-N 0 0 389.433 2.378 10 0 in-vitro GEAERN O=C(CCc1nc2ccccc2n(CC(=O)Nc2ccccc2)c1=O)NC1CC1 ZINC000033141601 570827760 /nfs/dbraw/zinc/82/77/60/570827760.db2.gz NMMSNLUPIIFQIX-UHFFFAOYSA-N 0 0 390.443 2.246 10 0 GEAERN O=S(=O)(NCc1ccccc1)Nc1cc2c(cc1-n1ccnc1)OCCO2 ZINC000072148467 570872495 /nfs/dbraw/zinc/87/24/95/570872495.db2.gz RBWNTQKRQPKWSY-UHFFFAOYSA-N 0 0 386.433 2.090 10 0 GEAERN COc1cc(C)c(S(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)cc1OC ZINC000097015652 570886630 /nfs/dbraw/zinc/88/66/30/570886630.db2.gz OXYGLZREEJUUFZ-HNNXBMFYSA-N 0 0 378.450 2.249 10 0 GEAERN CCOC[C@H](O)CN(Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3)C1CC1 ZINC000104989498 570911819 /nfs/dbraw/zinc/91/18/19/570911819.db2.gz AXDLBALSFMGPKN-GXTWGEPZSA-N 0 0 391.537 2.471 10 0 GEAERN O=C(Nc1cccc(F)c1)N1NN=C2C(=O)N(Cc3cccc(F)c3)C(=O)[C@@H]21 ZINC000012778517 571031968 /nfs/dbraw/zinc/03/19/68/571031968.db2.gz XMAIBWFIJXKJNA-HUUCEWRRSA-N 0 0 385.330 2.486 10 0 GEAERN COC(=O)[C@@H]1CCCCN1C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000042646890 642554296 /nfs/dbraw/zinc/55/42/96/642554296.db2.gz WVXSNTWCNWTSIN-AWEZNQCLSA-N 0 0 397.269 2.123 10 0 GEAERN C[C@H](NS(=O)(=O)c1ccccc1S(C)(=O)=O)c1ccc(F)c(F)c1 ZINC000044301379 642573760 /nfs/dbraw/zinc/57/37/60/642573760.db2.gz DOCFJPSZXRTTLV-JTQLQIEISA-N 0 0 375.418 2.408 10 0 GEAERN NS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000045614260 642592454 /nfs/dbraw/zinc/59/24/54/642592454.db2.gz VIEFJEGCHVDCGF-IUCAKERBSA-N 0 0 385.433 2.316 10 0 GEAERN C[C@@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1ccc(F)c(Cl)c1 ZINC000055744815 642782006 /nfs/dbraw/zinc/78/20/06/642782006.db2.gz WTUYIAKWKRQAAS-SNVBAGLBSA-N 0 0 383.832 2.154 10 0 GEAERN C[C@@H](CNS(=O)(=O)/C=C/c1cccc(Br)c1)N1CCOCC1 ZINC000066910129 642948198 /nfs/dbraw/zinc/94/81/98/642948198.db2.gz BCTPQNRYBBTZDR-KADSFNECSA-N 0 0 389.315 2.060 10 0 GEAERN C[C@@H]1C[C@@H]1NC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000069935885 643045245 /nfs/dbraw/zinc/04/52/45/643045245.db2.gz VIYFGIPDDGAXPC-DOMZBBRYSA-N 0 0 396.285 2.090 10 0 GEAERN CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)C(C)C ZINC000097663625 643097688 /nfs/dbraw/zinc/09/76/88/643097688.db2.gz AJYSDYBAJJXGOG-JSGCOSHPSA-N 0 0 376.519 2.386 10 0 GEAERN COCc1c(Br)cccc1NC(=O)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000102083460 643121741 /nfs/dbraw/zinc/12/17/41/643121741.db2.gz YZCLGJSFQIPFMI-HZMBPMFUSA-N 0 0 385.258 2.218 10 0 GEAERN CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)cc2)C1 ZINC000102102578 643122894 /nfs/dbraw/zinc/12/28/94/643122894.db2.gz NCBXTNCNUPTYFY-CQSZACIVSA-N 0 0 396.285 2.295 10 0 GEAERN COc1ccc(S(=O)(=O)NCCCc2cnn(C)c2)cc1Br ZINC000102662146 643131933 /nfs/dbraw/zinc/13/19/33/643131933.db2.gz CXBJSLXZHRBNCL-UHFFFAOYSA-N 0 0 388.287 2.102 10 0 GEAERN COCCN1CCN(CC(=O)N(C)Cc2ccccc2Br)C[C@H]1C ZINC000106109927 643223203 /nfs/dbraw/zinc/22/32/03/643223203.db2.gz RMSPFQTZOIFEIL-OAHLLOKOSA-N 0 0 398.345 2.060 10 0 GEAERN CC[C@H]1CN(Cc2ccc(S(=O)(=O)C(F)F)cc2)CCN1CCOC ZINC000106114895 643224216 /nfs/dbraw/zinc/22/42/16/643224216.db2.gz FODWQVNGXPXHNK-HNNXBMFYSA-N 0 0 376.469 2.226 10 0 GEAERN C[C@H](C(=O)Nc1cccc(Br)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000106191655 643224771 /nfs/dbraw/zinc/22/47/71/643224771.db2.gz MKXCFRDYXSNETK-CJNGLKHVSA-N 0 0 393.285 2.374 10 0 GEAERN Cc1cnn(C[C@H]2CN(CC(=O)Nc3ccc(Br)cc3)CCO2)c1 ZINC000106198836 643225463 /nfs/dbraw/zinc/22/54/63/643225463.db2.gz RDNFDXSDJYPASO-MRXNPFEDSA-N 0 0 393.285 2.294 10 0 GEAERN CN1CCO[C@H](CNC(=O)CCCCOc2ccc(Br)cc2)C1 ZINC000108790621 643281886 /nfs/dbraw/zinc/28/18/86/643281886.db2.gz VHUMYVWJPWNWLL-MRXNPFEDSA-N 0 0 385.302 2.445 10 0 GEAERN CSc1nc2ncnc(N3CCN([C@@H](C)c4nc(C)no4)CC3)c2s1 ZINC000108947718 643285679 /nfs/dbraw/zinc/28/56/79/643285679.db2.gz DSCVZPPONNTANO-VIFPVBQESA-N 0 0 377.499 2.383 10 0 GEAERN CCn1cc(CN2CCCN(C(=O)c3ccc(Br)cn3)CC2)cn1 ZINC000109661982 643298864 /nfs/dbraw/zinc/29/88/64/643298864.db2.gz RHYVQURGXRHGHB-UHFFFAOYSA-N 0 0 392.301 2.409 10 0 GEAERN CSc1ccc(S(=O)(=O)N2CCO[C@H](Cn3nc(C)cc3C)C2)cc1 ZINC000111344841 643335543 /nfs/dbraw/zinc/33/55/43/643335543.db2.gz NHAGPUVTHIYQEI-HNNXBMFYSA-N 0 0 381.523 2.312 10 0 GEAERN COCCN(C)S(=O)(=O)N1C[C@@H](c2ccccc2Cl)OCC1(C)C ZINC000111364808 643338152 /nfs/dbraw/zinc/33/81/52/643338152.db2.gz SGUSSJRJFBBDCQ-HNNXBMFYSA-N 0 0 376.906 2.315 10 0 GEAERN C[C@@H](NC(=O)N(C)CC(=O)N1CCOCC1)c1cccc(Br)c1 ZINC000111815344 643347078 /nfs/dbraw/zinc/34/70/78/643347078.db2.gz MRKNHTZQBWUABF-GFCCVEGCSA-N 0 0 384.274 2.010 10 0 GEAERN Cc1cnn(C[C@H]2CN(Cn3nc(N4CCCC4)sc3=S)CCO2)c1 ZINC000112072246 643352964 /nfs/dbraw/zinc/35/29/64/643352964.db2.gz CMEFLYRWFDLIJV-CQSZACIVSA-N 0 0 380.543 2.138 10 0 GEAERN CCc1noc([C@H](C)N2CCN(C(=O)c3cc(Br)c[nH]3)CC2)n1 ZINC000112057426 643352987 /nfs/dbraw/zinc/35/29/87/643352987.db2.gz HFXQDAPGOKFDDL-JTQLQIEISA-N 0 0 382.262 2.242 10 0 GEAERN Cc1cnn(C[C@@H]2CN(Cn3nc(N4CCCC4)sc3=S)CCO2)c1 ZINC000112072243 643353097 /nfs/dbraw/zinc/35/30/97/643353097.db2.gz CMEFLYRWFDLIJV-AWEZNQCLSA-N 0 0 380.543 2.138 10 0 GEAERN Cc1cc(Cl)ccc1S(=O)(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000115580964 643442043 /nfs/dbraw/zinc/44/20/43/643442043.db2.gz FZJNPSQBUDHAIU-UHFFFAOYSA-N 0 0 382.917 2.279 10 0 GEAERN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000116113198 643452652 /nfs/dbraw/zinc/45/26/52/643452652.db2.gz DWZQRIVJVZDMIG-GFCCVEGCSA-N 0 0 381.885 2.497 10 0 GEAERN Cn1cc([C@@H]2CCN(C(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)C2)cn1 ZINC000116227963 643454992 /nfs/dbraw/zinc/45/49/92/643454992.db2.gz FRBDDKUAAKFZKP-GFCCVEGCSA-N 0 0 381.263 2.473 10 0 GEAERN Cn1cc([C@@H]2CCN(C(=O)C(=O)Nc3cccc(Br)c3)C2)cn1 ZINC000116587489 643465498 /nfs/dbraw/zinc/46/54/98/643465498.db2.gz WQERTKSOIFBYTR-LLVKDONJSA-N 0 0 377.242 2.137 10 0 GEAERN CCc1nn(C)c(Cl)c1CN1CCN(S(=O)(=O)CCC(C)C)CC1 ZINC000116899375 643475946 /nfs/dbraw/zinc/47/59/46/643475946.db2.gz UDCCDMFUVPMYQN-UHFFFAOYSA-N 0 0 376.954 2.129 10 0 GEAERN COCCN1CCN(C(=O)c2csc(I)c2)C[C@@H]1C ZINC000117296837 643486458 /nfs/dbraw/zinc/48/64/58/643486458.db2.gz YGBIPUUVTULDDE-JTQLQIEISA-N 0 0 394.278 2.145 10 0 GEAERN COCCN1CCN(C(=O)c2cc(Br)cnc2Cl)C[C@H]1C ZINC000117288745 643486747 /nfs/dbraw/zinc/48/67/47/643486747.db2.gz BSPWZEPUPIHYBW-SNVBAGLBSA-N 0 0 376.682 2.290 10 0 GEAERN COCCN1CCN(S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)C[C@H]1C ZINC000117370064 643489951 /nfs/dbraw/zinc/48/99/51/643489951.db2.gz RXCWEORBCVFMTR-CYBMUJFWSA-N 0 0 380.432 2.355 10 0 GEAERN COCCN1CCN(C(=O)NCCNc2ncc(Cl)cc2Cl)C[C@H]1C ZINC000117479234 643491715 /nfs/dbraw/zinc/49/17/15/643491715.db2.gz AFBIFOMYANAVRK-GFCCVEGCSA-N 0 0 390.315 2.162 10 0 GEAERN Cc1cnn(CCNC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)c1 ZINC000117813337 643499098 /nfs/dbraw/zinc/49/90/98/643499098.db2.gz DGSYXDRFTGGYGW-OAHLLOKOSA-N 0 0 391.269 2.123 10 0 GEAERN Cc1cnn(CCNC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)c1 ZINC000117818643 643500024 /nfs/dbraw/zinc/50/00/24/643500024.db2.gz XICUWDZKTOVERJ-ZDUSSCGKSA-N 0 0 391.269 2.123 10 0 GEAERN CC[C@@H](O)CN1CCN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000118856756 643524915 /nfs/dbraw/zinc/52/49/15/643524915.db2.gz BEDLBKMIWSSRMY-CQSZACIVSA-N 0 0 395.352 2.156 10 0 GEAERN Cn1c(Cn2cnc3c(F)cc(Br)cc3c2=O)nnc1C1CC1 ZINC000119768871 643571256 /nfs/dbraw/zinc/57/12/56/643571256.db2.gz XJKLOQMGKYXIER-UHFFFAOYSA-N 0 0 378.205 2.352 10 0 GEAERN C[C@@H]1CN(C(=O)NCc2ccc(O)c(Br)c2)C[C@@H]1N1CCOCC1 ZINC000126150440 643723145 /nfs/dbraw/zinc/72/31/45/643723145.db2.gz ZZIXTVIDLAMJSQ-DOMZBBRYSA-N 0 0 398.301 2.017 10 0 GEAERN O=C(COc1ccc(Br)cc1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127361069 643772936 /nfs/dbraw/zinc/77/29/36/643772936.db2.gz JOWDDEWEJDKWAD-CYBMUJFWSA-N 0 0 379.258 2.358 10 0 GEAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1cc(C)ccc1Br)CC2 ZINC000127495480 643777988 /nfs/dbraw/zinc/77/79/88/643777988.db2.gz WPIKKKGPDQQLML-LLVKDONJSA-N 0 0 399.314 2.205 10 0 GEAERN C[C@H](O)c1ccn(CC(=O)N(C)CCOc2ccc(Br)cc2)n1 ZINC000128860374 643811257 /nfs/dbraw/zinc/81/12/57/643811257.db2.gz RCFPNOZWLMIQPM-LBPRGKRZSA-N 0 0 382.258 2.236 10 0 GEAERN O=C(Cc1ccc(Br)c(F)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000130940621 643856124 /nfs/dbraw/zinc/85/61/24/643856124.db2.gz UPDUZVJUFQFZED-ZDUSSCGKSA-N 0 0 382.233 2.255 10 0 GEAERN C[C@H](OC(=O)Cn1ncn2nccc2c1=O)c1ccc(Br)cc1F ZINC000131080740 643862721 /nfs/dbraw/zinc/86/27/21/643862721.db2.gz RQCDRCBULGJVEZ-VIFPVBQESA-N 0 0 395.188 2.097 10 0 GEAERN COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000156330602 644089410 /nfs/dbraw/zinc/08/94/10/644089410.db2.gz KFIJWIXDYCSJMM-CQSZACIVSA-N 0 0 383.857 2.386 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cccc(C)c1Br ZINC000156554204 644103394 /nfs/dbraw/zinc/10/33/94/644103394.db2.gz GQFMGCXRHXHACQ-NSHDSACASA-N 0 0 385.287 2.471 10 0 GEAERN CC(C)c1nn(C)c(Cl)c1C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000158602188 644150857 /nfs/dbraw/zinc/15/08/57/644150857.db2.gz ZTIDGTJEWNXWHD-JTQLQIEISA-N 0 0 384.889 2.335 10 0 GEAERN O=S(=O)(NC[C@H](O)CN1CCc2ccccc2C1)c1cccc(Cl)c1 ZINC000158859375 644163992 /nfs/dbraw/zinc/16/39/92/644163992.db2.gz RVRDDDKUQZQMLM-KRWDZBQOSA-N 0 0 380.897 2.038 10 0 GEAERN COC(=O)[C@H]1C[C@H]1C(=O)OCc1cccc(F)c1I ZINC000159784481 644194622 /nfs/dbraw/zinc/19/46/22/644194622.db2.gz KSNSGVSJPWXERY-DTWKUNHWSA-N 0 0 378.137 2.283 10 0 GEAERN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000162393109 644235708 /nfs/dbraw/zinc/23/57/08/644235708.db2.gz LNULOJSMKSJKAJ-DOMZBBRYSA-N 0 0 383.286 2.105 10 0 GEAERN Cc1cnn(CCNC(=O)N(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)c1 ZINC000163413612 644255029 /nfs/dbraw/zinc/25/50/29/644255029.db2.gz IYTVJWUNNCBESZ-AWEZNQCLSA-N 0 0 382.873 2.015 10 0 GEAERN Cc1noc([C@H](C)N2CCN(C(=O)Nc3ccc(Br)nc3)CC2)n1 ZINC000166250522 644273821 /nfs/dbraw/zinc/27/38/21/644273821.db2.gz JYBTUAVUROPDCO-JTQLQIEISA-N 0 0 395.261 2.446 10 0 GEAERN Cc1cnn(C[C@@H]2CN(C(=O)Nc3ccc(Br)nc3)CCO2)c1 ZINC000166383933 644275018 /nfs/dbraw/zinc/27/50/18/644275018.db2.gz GKMDMFKOXYWBKN-ZDUSSCGKSA-N 0 0 380.246 2.282 10 0 GEAERN CC(=O)N1C[C@@H](CO)C2(C1)CCN(C(=O)c1ccc(Br)cc1)CC2 ZINC000169783856 644282808 /nfs/dbraw/zinc/28/28/08/644282808.db2.gz RQOJHRGGTITJHM-HNNXBMFYSA-N 0 0 395.297 2.142 10 0 GEAERN CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N[C@@H]1C[C@@H]1C ZINC000171072465 644305882 /nfs/dbraw/zinc/30/58/82/644305882.db2.gz PGTPWXMRYXPXTP-GDLCADMTSA-N 0 0 389.315 2.277 10 0 GEAERN CCc1nnc([C@@H]2CN(C(=O)c3ccc(Br)cc3F)CCO2)[nH]1 ZINC000173096731 644351191 /nfs/dbraw/zinc/35/11/91/644351191.db2.gz HTJVOVLEYMMKNR-LBPRGKRZSA-N 0 0 383.221 2.482 10 0 GEAERN COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]2Cn2ccnc2)c1 ZINC000173836591 644362029 /nfs/dbraw/zinc/36/20/29/644362029.db2.gz BZJLGJAUGOICKR-ZDUSSCGKSA-N 0 0 383.857 2.176 10 0 GEAERN C[C@H](NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)c1ccc(F)cc1Cl ZINC000176653810 644402178 /nfs/dbraw/zinc/40/21/78/644402178.db2.gz CZOPCGVHEKBCDW-VFZGTOFNSA-N 0 0 383.832 2.386 10 0 GEAERN C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)c1cccc(Br)c1 ZINC000177651870 644422817 /nfs/dbraw/zinc/42/28/17/644422817.db2.gz WWHPXISBPFJTAU-CMPLNLGQSA-N 0 0 377.242 2.403 10 0 GEAERN CS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCC[C@H]2CO)ccc1Br ZINC000179250018 644454452 /nfs/dbraw/zinc/45/44/52/644454452.db2.gz AQRHBPSKIDNVMY-WCQYABFASA-N 0 0 390.299 2.134 10 0 GEAERN C[C@H](NC(=O)CN1CCCCc2cc(Br)ccc21)C(=O)N(C)C ZINC000179465159 644462081 /nfs/dbraw/zinc/46/20/81/644462081.db2.gz MUWLKSVZGRZLFD-LBPRGKRZSA-N 0 0 382.302 2.185 10 0 GEAERN C[C@@H](OC(=O)c1ccc(S(C)(=O)=O)c(Br)c1)[C@@H]1CCOC1 ZINC000180020995 644483367 /nfs/dbraw/zinc/48/33/67/644483367.db2.gz XUQAODNDOPUPPI-MWLCHTKSSA-N 0 0 377.256 2.434 10 0 GEAERN Cc1ccc(NC(=O)CS(=O)(=O)Cc2nnc(C3CC3)n2C)cc1Cl ZINC000180067878 644486704 /nfs/dbraw/zinc/48/67/04/644486704.db2.gz DGIJIJDAKUFUNO-UHFFFAOYSA-N 0 0 382.873 2.208 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)C[C@@H](O)c3cc(Cl)cc(Cl)c3)CCO2)[nH]1 ZINC000180067612 644486901 /nfs/dbraw/zinc/48/69/01/644486901.db2.gz KQWLISRXIYOUSH-KGLIPLIRSA-N 0 0 385.251 2.444 10 0 GEAERN C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC(Cl)(Cl)Cl ZINC000184624301 645023049 /nfs/dbraw/zinc/02/30/49/645023049.db2.gz GVBOYASDKVKPLJ-ZETCQYMHSA-N 0 0 378.636 2.406 10 0 GEAERN O[C@@H](CN1CCO[C@H](Cn2cccn2)C1)c1ccc(F)c(Br)c1 ZINC000185004468 645032277 /nfs/dbraw/zinc/03/22/77/645032277.db2.gz ALYZRWCBARJBCC-BBRMVZONSA-N 0 0 384.249 2.219 10 0 GEAERN CCO[C@H]1C[C@@H](NS(=O)(=O)Cc2c(F)cccc2F)C12CCOCC2 ZINC000185157265 645037630 /nfs/dbraw/zinc/03/76/30/645037630.db2.gz HVBPPAWSQIHKQK-CVEARBPZSA-N 0 0 375.437 2.358 10 0 GEAERN NC(=O)[C@@H]1CN(C(=O)[C@H]2CCCO[C@H]2c2ccc(Cl)cc2Cl)CCO1 ZINC000185158190 645037674 /nfs/dbraw/zinc/03/76/74/645037674.db2.gz XCLCLRSBPWGJOI-QEJZJMRPSA-N 0 0 387.263 2.174 10 0 GEAERN COC(=O)[C@H]1C[C@H]1C(=O)OCc1nc(Cc2ccccc2Br)n[nH]1 ZINC000185383943 645043574 /nfs/dbraw/zinc/04/35/74/645043574.db2.gz SKQRRMYSZLBVBE-WDEREUQCSA-N 0 0 394.225 2.010 10 0 GEAERN O=C(NC1CN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1)C1CCC1 ZINC000186176979 645062539 /nfs/dbraw/zinc/06/25/39/645062539.db2.gz FOMAGOKQAVBBNH-UHFFFAOYSA-N 0 0 377.293 2.424 10 0 GEAERN Cc1ccc(S(=O)(=O)N2CC(NC(=O)C3CCC3)C2)cc1C(F)(F)F ZINC000186187985 645063535 /nfs/dbraw/zinc/06/35/35/645063535.db2.gz GZZMFXANQFHOGJ-UHFFFAOYSA-N 0 0 376.400 2.303 10 0 GEAERN COc1nc(C)c(Br)cc1C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000186742165 645073534 /nfs/dbraw/zinc/07/35/34/645073534.db2.gz ZFCDLUXNKZKWLI-LBPRGKRZSA-N 0 0 380.246 2.326 10 0 GEAERN C[C@@H]1[C@H](C)S(=O)(=O)CCN1C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187059986 645081852 /nfs/dbraw/zinc/08/18/52/645081852.db2.gz BXHCOKBDKVBQLQ-BFVZDQMLSA-N 0 0 380.279 2.129 10 0 GEAERN O=C(c1nc(Br)cs1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000187491312 645092153 /nfs/dbraw/zinc/09/21/53/645092153.db2.gz USXNRQZNTLGTHM-ZDUSSCGKSA-N 0 0 396.310 2.397 10 0 GEAERN C[C@@H](O)CN1CCN(C(=O)c2cc(Br)ncc2Cl)C[C@H]1C ZINC000187588802 645094729 /nfs/dbraw/zinc/09/47/29/645094729.db2.gz BMFIFDBLIZFQQG-NXEZZACHSA-N 0 0 376.682 2.025 10 0 GEAERN O=C(NC1CN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1)C1CC1 ZINC000187920607 645099925 /nfs/dbraw/zinc/09/99/25/645099925.db2.gz RZGHTTBDQJOSEH-UHFFFAOYSA-N 0 0 382.791 2.258 10 0 GEAERN O=C(NC1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)C1)C1CC1 ZINC000187922194 645100538 /nfs/dbraw/zinc/10/05/38/645100538.db2.gz WRWJBVPNOOOFKI-UHFFFAOYSA-N 0 0 382.791 2.258 10 0 GEAERN COC(=O)c1cc(S(=O)(=O)N[C@H](CC(C)C)C[NH+](C)C)ccc1Cl ZINC000188221632 645110270 /nfs/dbraw/zinc/11/02/70/645110270.db2.gz ASWPVVADNAMPRX-GFCCVEGCSA-N 0 0 376.906 2.381 10 0 GEAERN Cc1ccc(I)cc1C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188561623 645119757 /nfs/dbraw/zinc/11/97/57/645119757.db2.gz UZHPLMUNKIXHGB-UHFFFAOYSA-N 0 0 398.244 2.340 10 0 GEAERN Cc1ccc(Br)nc1C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000188569179 645120376 /nfs/dbraw/zinc/12/03/76/645120376.db2.gz VYNQFOQAUQKJFK-SNVBAGLBSA-N 0 0 398.282 2.291 10 0 GEAERN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000189307923 645136011 /nfs/dbraw/zinc/13/60/11/645136011.db2.gz AEXWRXKZJJPBFI-UWVGGRQHSA-N 0 0 393.259 2.464 10 0 GEAERN C[C@@H](NC(=O)c1cc(Br)nn1C)c1ccc(S(C)(=O)=O)cc1 ZINC000192046748 645191596 /nfs/dbraw/zinc/19/15/96/645191596.db2.gz CIWMVNQFJKUDCH-SECBINFHSA-N 0 0 386.271 2.077 10 0 GEAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2ncc(Br)s2)ncn1 ZINC000192429560 645205327 /nfs/dbraw/zinc/20/53/27/645205327.db2.gz KCFNRNNJPDOQDJ-VIFPVBQESA-N 0 0 397.302 2.136 10 0 GEAERN Cc1nc(Cl)ccc1NC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000192507361 645210759 /nfs/dbraw/zinc/21/07/59/645210759.db2.gz NWPDWNDIUXPZEG-SNVBAGLBSA-N 0 0 378.841 2.109 10 0 GEAERN Cc1nc(NC(=O)C(=O)N[C@@H]2COc3ccccc32)ccc1Br ZINC000193137520 645245156 /nfs/dbraw/zinc/24/51/56/645245156.db2.gz HGXHLRJIMSGHOW-GFCCVEGCSA-N 0 0 376.210 2.341 10 0 GEAERN COCCN(CCOC)S(=O)(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000193274047 645259033 /nfs/dbraw/zinc/25/90/33/645259033.db2.gz JAUBRPQWIBEDCA-LLVKDONJSA-N 0 0 385.313 2.484 10 0 GEAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cc(Br)cc(OC(C)C)c1 ZINC000193449866 645274231 /nfs/dbraw/zinc/27/42/31/645274231.db2.gz ZQRSUFBBRSXDMD-UKRRQHHQSA-N 0 0 385.258 2.157 10 0 GEAERN O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CCO[C@@H](c2nccs2)C1 ZINC000193745755 645295631 /nfs/dbraw/zinc/29/56/31/645295631.db2.gz RFEDWUFGNTUUDA-SECBINFHSA-N 0 0 382.360 2.462 10 0 GEAERN CCn1c(C)nnc1CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000194685381 645342638 /nfs/dbraw/zinc/34/26/38/645342638.db2.gz DIAUZXHWZZTZJW-MRXNPFEDSA-N 0 0 392.257 2.336 10 0 GEAERN CC(C)NS(=O)(=O)CCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000195217416 645363711 /nfs/dbraw/zinc/36/37/11/645363711.db2.gz TZRLLSUPLLHYDJ-SNVBAGLBSA-N 0 0 383.297 2.205 10 0 GEAERN C[C@H](NC(=O)COc1cccc(I)c1)[C@H]1CCCO1 ZINC000195345370 645373267 /nfs/dbraw/zinc/37/32/67/645373267.db2.gz UMKOAQRGTQCUCJ-GXFFZTMASA-N 0 0 375.206 2.354 10 0 GEAERN Cc1nn(CC(=O)NCCCc2nnc3ccccn32)c(C)c1Br ZINC000222434409 645385716 /nfs/dbraw/zinc/38/57/16/645385716.db2.gz FFPKJCMIPKWSSV-UHFFFAOYSA-N 0 0 391.273 2.054 10 0 GEAERN C[C@H]1c2nnc(C(F)(F)F)n2CCN1C(=O)c1c(Br)cnn1C ZINC000223510430 645386985 /nfs/dbraw/zinc/38/69/85/645386985.db2.gz XCUQSKWVRKOUHF-LURJTMIESA-N 0 0 393.167 2.010 10 0 GEAERN COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2Br)C[C@@H]1C ZINC000227813132 645393524 /nfs/dbraw/zinc/39/35/24/645393524.db2.gz AHPDUCGPUFIFDP-QWRGUYRKSA-N 0 0 376.272 2.187 10 0 GEAERN CN1CCO[C@@H](C[NH2+]Cc2cc(Br)c([O-])c(Br)c2)C1 ZINC000234351394 645406503 /nfs/dbraw/zinc/40/65/03/645406503.db2.gz AMKIROHEZKCKHZ-JTQLQIEISA-N 0 0 394.107 2.337 10 0 GEAERN C[C@H](NC(=O)NC[C@@H](O)COc1ccccc1Br)[C@H]1CCCO1 ZINC000246950646 645498787 /nfs/dbraw/zinc/49/87/87/645498787.db2.gz NWIKDKFBSCJBKB-OUCADQQQSA-N 0 0 387.274 2.056 10 0 GEAERN C[C@H](Oc1cccc(Br)c1)C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000247153797 645506347 /nfs/dbraw/zinc/50/63/47/645506347.db2.gz QBDJUGZMIDZFAU-ZQIUZPCESA-N 0 0 397.313 2.396 10 0 GEAERN C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247733336 645516495 /nfs/dbraw/zinc/51/64/95/645516495.db2.gz MKXCFRDYXSNETK-XJKSGUPXSA-N 0 0 393.285 2.374 10 0 GEAERN O[C@@H](COc1ccc(Cl)cc1Cl)CN1CCO[C@H](Cn2cccn2)C1 ZINC000247877136 645520633 /nfs/dbraw/zinc/52/06/33/645520633.db2.gz YVNPYHCIFHHCFK-CABCVRRESA-N 0 0 386.279 2.331 10 0 GEAERN COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000248469930 645528251 /nfs/dbraw/zinc/52/82/51/645528251.db2.gz HLYOOHIFVFWYQD-MISXGVKJSA-N 0 0 386.217 2.297 10 0 GEAERN C[C@H](C(=O)N(C)C)S(=O)(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000248749428 645536532 /nfs/dbraw/zinc/53/65/32/645536532.db2.gz BPROESDHPJTBIP-GBIKHYSHSA-N 0 0 379.309 2.493 10 0 GEAERN CC[C@@H](C)CS(=O)(=O)N1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000248817433 645539661 /nfs/dbraw/zinc/53/96/61/645539661.db2.gz URFAWGHMBJENRV-HZPDHXFCSA-N 0 0 376.563 2.490 10 0 GEAERN CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCN2CCCC[C@H]2C1 ZINC000249752074 645559935 /nfs/dbraw/zinc/55/99/35/645559935.db2.gz IDBCCLOZUPXRED-ZDUSSCGKSA-N 0 0 375.897 2.326 10 0 GEAERN O=S(=O)(/C=C\c1cccc(Br)c1)N[C@@H]1CCCn2ncnc21 ZINC000255469664 645581292 /nfs/dbraw/zinc/58/12/92/645581292.db2.gz QFAOCQYYIMRGRG-FWPCIQOSSA-N 0 0 383.271 2.466 10 0 GEAERN C[C@H](NC(=O)[C@H]1NCCO[C@@H]1C)c1nc(-c2ccc(Br)cc2)no1 ZINC000261894224 645609525 /nfs/dbraw/zinc/60/95/25/645609525.db2.gz GXBVCBQEZWBFNX-CWSCBRNRSA-N 0 0 395.257 2.053 10 0 GEAERN C[C@@H](c1ccc(Br)cc1)N1CCN(Cc2noc(CN)n2)CC1 ZINC000262291033 645624344 /nfs/dbraw/zinc/62/43/44/645624344.db2.gz VZROFEVPSCJRCP-LBPRGKRZSA-N 0 0 380.290 2.170 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CCc2cccc(Br)c2)C1 ZINC000262762001 645644502 /nfs/dbraw/zinc/64/45/02/645644502.db2.gz ZWJIVTWCVNKACD-UHFFFAOYSA-N 0 0 383.286 2.435 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NCCc2ccc(Br)cc2)C1 ZINC000263234248 645658729 /nfs/dbraw/zinc/65/87/29/645658729.db2.gz MWAAEHURFOXMGX-UHFFFAOYSA-N 0 0 398.301 2.228 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NCc2cc(O)c(OC)cc2Br)C1 ZINC000263503370 645667314 /nfs/dbraw/zinc/66/73/14/645667314.db2.gz LIWCUSRWAFJVRE-UHFFFAOYSA-N 0 0 387.274 2.190 10 0 GEAERN O=S(=O)(NC[C@H]1CCn2ccnc2C1)c1ccccc1OC(F)(F)F ZINC000328619977 647310812 /nfs/dbraw/zinc/31/08/12/647310812.db2.gz GPNCBYZMAZKADH-NSHDSACASA-N 0 0 375.372 2.323 10 0 GEAERN C[C@H]1Cc2cc(S(=O)(=O)NC[C@@H]3CCn4ccnc4C3)cc(Cl)c2O1 ZINC000328616777 647310870 /nfs/dbraw/zinc/31/08/70/647310870.db2.gz CAEPIKTXKVIGHX-NWDGAFQWSA-N 0 0 381.885 2.401 10 0 GEAERN O=S(=O)(NC[C@H]1CCn2ccnc2C1)c1ccc(Br)s1 ZINC000328629752 647311285 /nfs/dbraw/zinc/31/12/85/647311285.db2.gz PDJOQYCRZSIYLQ-VIFPVBQESA-N 0 0 376.301 2.248 10 0 GEAERN CO[C@H]1C[C@@H](CO)N(C(=O)c2cc(Br)sc2Br)C1 ZINC000386511385 647889197 /nfs/dbraw/zinc/88/91/97/647889197.db2.gz MJBVSZMPQIRJSI-BQBZGAKWSA-N 0 0 399.104 2.495 10 0 GEAERN O=C(N[C@@H]1CCCNC1=O)c1scc(Br)c1Br ZINC000624925858 652310944 /nfs/dbraw/zinc/31/09/44/652310944.db2.gz USIODGRTTQAFPF-ZCFIWIBFSA-N 0 0 382.077 2.282 10 0 GEAERN O=C(N[C@H]1CCOC[C@@H]1O)c1cc(Br)cc(Br)c1 ZINC000629241120 652482108 /nfs/dbraw/zinc/48/21/08/652482108.db2.gz FNJNPPXQCUGFBT-QWRGUYRKSA-N 0 0 379.048 2.091 10 0 GEAERN Cn1c(Cl)c(Cl)cc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000702797996 653320424 /nfs/dbraw/zinc/32/04/24/653320424.db2.gz RHEIBWNJUCSXSB-JOYOIKCWSA-N 0 0 392.283 2.290 10 0 GEAERN O=C(N[C@@H]1CCO[C@H](c2cccnc2)C1)c1c[nH]nc1I ZINC000897906118 653943463 /nfs/dbraw/zinc/94/34/63/653943463.db2.gz TVHYBAVHEHNJRD-PWSUYJOCSA-N 0 0 398.204 2.059 10 0 GEAERN Cn1cc(S(=O)(=O)NC[C@H]2OCCc3sc(F)cc32)c(C(F)(F)F)n1 ZINC000886040559 653965585 /nfs/dbraw/zinc/96/55/85/653965585.db2.gz QGVASSPDRMVGIF-MRVPVSSYSA-N 0 0 399.391 2.232 10 0 GEAERN CN(C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000151941168 531522983 /nfs/dbraw/zinc/52/29/83/531522983.db2.gz QNVSWQHOQWZQAY-NEPJUHHUSA-N 0 0 385.452 2.173 10 0 GEAERN C[C@H](NC(=O)COc1ccc(F)c(Cl)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000008099035 531545714 /nfs/dbraw/zinc/54/57/14/531545714.db2.gz HNCFXZFCYXKVPD-JTQLQIEISA-N 0 0 386.832 2.383 10 0 GEAERN Cc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000016087393 531569945 /nfs/dbraw/zinc/56/99/45/531569945.db2.gz ASERCJNESNNFGP-CQSZACIVSA-N 0 0 382.507 2.285 10 0 GEAERN C[C@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)c1ccccc1Br ZINC000025320281 531613146 /nfs/dbraw/zinc/61/31/46/531613146.db2.gz JSUSHCIKYCNKEM-GXFFZTMASA-N 0 0 375.288 2.050 10 0 GEAERN C[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1cccc(Br)c1 ZINC000027734756 531627942 /nfs/dbraw/zinc/62/79/42/531627942.db2.gz NLCHTKRWYNDVTH-YPMHNXCESA-N 0 0 389.315 2.298 10 0 GEAERN C[C@@H](NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1cccc(Br)c1 ZINC000030464590 531636757 /nfs/dbraw/zinc/63/67/57/531636757.db2.gz AAVQURJLZDLNNW-SECBINFHSA-N 0 0 388.221 2.470 10 0 GEAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(Br)c(O)c1 ZINC000155121847 531657559 /nfs/dbraw/zinc/65/75/59/531657559.db2.gz NKYZAMDBMQDJIU-LLVKDONJSA-N 0 0 381.230 2.158 10 0 GEAERN CC[C@@H]1CN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)CCN1CCOC ZINC000155204325 531665003 /nfs/dbraw/zinc/66/50/03/531665003.db2.gz WXCVOMOAMFUNCM-CQSZACIVSA-N 0 0 378.897 2.352 10 0 GEAERN Cc1noc([C@@H]2COCCN2C(=O)Cc2ccc(F)c(Br)c2)n1 ZINC000155382941 531680542 /nfs/dbraw/zinc/68/05/42/531680542.db2.gz NMEWJBWBUOZHBS-ZDUSSCGKSA-N 0 0 384.205 2.422 10 0 GEAERN NC(=O)[C@H](c1cccc(Br)c1)N1CCC(Nc2cccnn2)CC1 ZINC000156966542 531728522 /nfs/dbraw/zinc/72/85/22/531728522.db2.gz OVPPRQMKEAFTQO-INIZCTEOSA-N 0 0 390.285 2.342 10 0 GEAERN CCn1cc(CN2CCCN(C(=O)Nc3nc(SC)ns3)CC2)cn1 ZINC000156987522 531730489 /nfs/dbraw/zinc/73/04/89/531730489.db2.gz YHFYTTJEACZRMU-UHFFFAOYSA-N 0 0 381.531 2.216 10 0 GEAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc(Cl)cc2Br)c1 ZINC000156123155 531717629 /nfs/dbraw/zinc/71/76/29/531717629.db2.gz YQQVDRAPRLMBHP-UHFFFAOYSA-N 0 0 385.649 2.362 10 0 GEAERN C[C@H](NC(=O)N1CCCN(S(C)(=O)=O)CC1)c1ccc(F)c(Cl)c1 ZINC000056942368 531815042 /nfs/dbraw/zinc/81/50/42/531815042.db2.gz FMUZWQDZDKFTRS-NSHDSACASA-N 0 0 377.869 2.217 10 0 GEAERN CC(C)c1nc2n(n1)C[C@@H](N[C@@H](C(N)=O)c1cccc(Br)c1)CC2 ZINC000162115593 531835487 /nfs/dbraw/zinc/83/54/87/531835487.db2.gz WMWAAHWOKVAOQK-DZGCQCFKSA-N 0 0 392.301 2.295 10 0 GEAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000162755041 531849211 /nfs/dbraw/zinc/84/92/11/531849211.db2.gz GFDHQRDQURTEMN-NSHDSACASA-N 0 0 389.633 2.205 10 0 GEAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000162737891 531849961 /nfs/dbraw/zinc/84/99/61/531849961.db2.gz IBMIVDNRZCHEDQ-NSHDSACASA-N 0 0 378.734 2.461 10 0 GEAERN C[C@H]1CC[C@@H](NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)c2ccccc21 ZINC000162306726 531841416 /nfs/dbraw/zinc/84/14/16/531841416.db2.gz CAWAWEKDJZMNFT-YVEFUNNKSA-N 0 0 380.491 2.251 10 0 GEAERN COC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1cc(Br)ccc1C ZINC000163575569 531860428 /nfs/dbraw/zinc/86/04/28/531860428.db2.gz PYEHCZOBPRQLMJ-ZDUSSCGKSA-N 0 0 383.242 2.250 10 0 GEAERN COC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(C)c(Br)c1 ZINC000163587975 531861491 /nfs/dbraw/zinc/86/14/91/531861491.db2.gz WWVBCINOIKNPLA-ZDUSSCGKSA-N 0 0 383.242 2.250 10 0 GEAERN C[C@@H](NC(=O)C(=O)Nc1ccc(Br)cc1)c1nnc2n1CCCC2 ZINC000165611769 531872202 /nfs/dbraw/zinc/87/22/02/531872202.db2.gz UBVFAYBXJIBCMV-SNVBAGLBSA-N 0 0 392.257 2.193 10 0 GEAERN C[C@@H](NC(=O)C(=O)Nc1cccc(Br)c1)c1nnc2n1CCCC2 ZINC000165563378 531873177 /nfs/dbraw/zinc/87/31/77/531873177.db2.gz YCRKGFPYYPGOIH-SNVBAGLBSA-N 0 0 392.257 2.193 10 0 GEAERN NC(=O)[C@@H]1Cc2ccccc2N1C[C@H](O)COc1cccc(Br)c1 ZINC000170644107 531883347 /nfs/dbraw/zinc/88/33/47/531883347.db2.gz SLGOUKOTZNKDMM-YOEHRIQHSA-N 0 0 391.265 2.105 10 0 GEAERN C[C@@](NC[C@@H](O)COc1cccc(Br)c1)(C(N)=O)c1ccccc1 ZINC000170644531 531886810 /nfs/dbraw/zinc/88/68/10/531886810.db2.gz DVLDWNDJASZGQF-QAPCUYQASA-N 0 0 393.281 2.179 10 0 GEAERN CCc1nc(CCNC(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)cs1 ZINC000170677016 531887908 /nfs/dbraw/zinc/88/79/08/531887908.db2.gz YANYQXUNPAJAPR-AWEZNQCLSA-N 0 0 379.507 2.466 10 0 GEAERN CCc1nc(CCNC(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)cs1 ZINC000170677014 531887955 /nfs/dbraw/zinc/88/79/55/531887955.db2.gz YANYQXUNPAJAPR-CQSZACIVSA-N 0 0 379.507 2.466 10 0 GEAERN Cn1cc([C@@H]2CCCN2C(=O)C(=O)Nc2ccccc2Br)cn1 ZINC000171396996 531905772 /nfs/dbraw/zinc/90/57/72/531905772.db2.gz OVRZVTUQBAGPKD-AWEZNQCLSA-N 0 0 377.242 2.485 10 0 GEAERN O=C(CN1CCC[C@@H](n2cncn2)C1)Nc1ccc(Br)cc1F ZINC000171704507 531912470 /nfs/dbraw/zinc/91/24/70/531912470.db2.gz BARBJOITACIUBG-GFCCVEGCSA-N 0 0 382.237 2.455 10 0 GEAERN CC(=O)NC[C@H]1CN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)CCO1 ZINC000172140568 531937010 /nfs/dbraw/zinc/93/70/10/531937010.db2.gz YSHNZWPSDRSGEO-MFKMUULPSA-N 0 0 375.252 2.124 10 0 GEAERN CCc1noc([C@H](C)N2CCN(c3nc(Cl)c(C(=O)OC)s3)CC2)n1 ZINC000112086326 531944596 /nfs/dbraw/zinc/94/45/96/531944596.db2.gz KCKZNXRXCNSOQJ-VIFPVBQESA-N 0 0 385.877 2.412 10 0 GEAERN Cc1cnn(C[C@H]2CN(C(=O)Cc3ccc(Br)cc3)CCO2)c1 ZINC000112064505 531945087 /nfs/dbraw/zinc/94/50/87/531945087.db2.gz HEKHFRLWIMYRCS-MRXNPFEDSA-N 0 0 378.270 2.424 10 0 GEAERN COCCN1CCN(C(=O)NCc2ccc(F)cc2Br)C[C@@H]1C ZINC000172329899 531946364 /nfs/dbraw/zinc/94/63/64/531946364.db2.gz FWJUWBPGGAZWQT-LBPRGKRZSA-N 0 0 388.281 2.450 10 0 GEAERN O=C(N[C@H]1CCc2ncnn2C1)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000112651044 531949472 /nfs/dbraw/zinc/94/94/72/531949472.db2.gz MKUWYAURTMAAFR-VIFPVBQESA-N 0 0 378.205 2.406 10 0 GEAERN O=C(CCCOc1cccc(Br)c1)N[C@H]1CCc2ncnn2C1 ZINC000112656262 531950260 /nfs/dbraw/zinc/95/02/60/531950260.db2.gz CAZCCQFOBLFZRT-ZDUSSCGKSA-N 0 0 379.258 2.331 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)COc1cccc(Br)c1)CC2 ZINC000114867817 531956909 /nfs/dbraw/zinc/95/69/09/531956909.db2.gz MDILIWJDBJPNML-LBPRGKRZSA-N 0 0 379.258 2.113 10 0 GEAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cccnc1Br ZINC000120142556 531974720 /nfs/dbraw/zinc/97/47/20/531974720.db2.gz HHQLNELBBCNRDK-SNVBAGLBSA-N 0 0 381.234 2.239 10 0 GEAERN Cc1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)o1 ZINC000173300200 532002941 /nfs/dbraw/zinc/00/29/41/532002941.db2.gz VSQIHOHRAYBKKD-OAHLLOKOSA-N 0 0 384.479 2.151 10 0 GEAERN O=C(c1c[nH]c2cccc(Br)c12)N1CC[C@@H](N2CCOCC2)C1 ZINC000120945263 532003158 /nfs/dbraw/zinc/00/31/58/532003158.db2.gz GYQWQRKXNZFKKW-GFCCVEGCSA-N 0 0 378.270 2.477 10 0 GEAERN Cc1noc([C@H]2COCCN2C(=O)c2[nH]nc(C(C)C)c2Br)n1 ZINC000121005894 532007673 /nfs/dbraw/zinc/00/76/73/532007673.db2.gz VVMUGLVSANALMF-SECBINFHSA-N 0 0 384.234 2.201 10 0 GEAERN C[C@H]1CN(C(=O)c2cc3sc(N(C)C)nc3s2)C[C@H]1N1CCOCC1 ZINC000173401035 532009128 /nfs/dbraw/zinc/00/91/28/532009128.db2.gz LLKZJJGTOGAUEL-NWDGAFQWSA-N 0 0 380.539 2.217 10 0 GEAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2c(C)cc(Br)cc2C)C1 ZINC000121284722 532022292 /nfs/dbraw/zinc/02/22/92/532022292.db2.gz PMDNIJLLYAKGEO-CQSZACIVSA-N 0 0 396.285 2.132 10 0 GEAERN Cc1csc([C@H]2CCCN(C(=O)c3ccc(CS(N)(=O)=O)cc3)C2)n1 ZINC000173590310 532023547 /nfs/dbraw/zinc/02/35/47/532023547.db2.gz NKZBRLHXTORYCY-HNNXBMFYSA-N 0 0 379.507 2.260 10 0 GEAERN Cc1cc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)ccc1Br ZINC000173689627 532027673 /nfs/dbraw/zinc/02/76/73/532027673.db2.gz XIGXBUOMEXOQHN-CYBMUJFWSA-N 0 0 392.257 2.151 10 0 GEAERN Cc1nc(CN2CCCN(S(=O)(=O)c3cc(F)ccc3Cl)CC2)no1 ZINC000173824933 532035381 /nfs/dbraw/zinc/03/53/81/532035381.db2.gz HKKKIWNULYFKJK-UHFFFAOYSA-N 0 0 388.852 2.067 10 0 GEAERN CCC1CCC(NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)CC1 ZINC000121631991 532038660 /nfs/dbraw/zinc/03/86/60/532038660.db2.gz SVDREQZIQLSZLT-UHFFFAOYSA-N 0 0 386.539 2.468 10 0 GEAERN CNc1cc(N2CCC[C@H]2CNS(=O)(=O)c2ccccc2Cl)ncn1 ZINC000173900463 532041117 /nfs/dbraw/zinc/04/11/17/532041117.db2.gz JYBOOVFXSAMSEQ-LBPRGKRZSA-N 0 0 381.889 2.119 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)COc1ccccc1Br)CC2 ZINC000122070273 532056524 /nfs/dbraw/zinc/05/65/24/532056524.db2.gz OGRXUOIMPRTOCU-LLVKDONJSA-N 0 0 379.258 2.113 10 0 GEAERN CN1CCO[C@@H](CNC(=O)c2ccc(Sc3ccccc3Cl)nn2)C1 ZINC000174391740 532063496 /nfs/dbraw/zinc/06/34/96/532063496.db2.gz YHQRHCDREFTOBW-LBPRGKRZSA-N 0 0 378.885 2.342 10 0 GEAERN C[C@H](NC(=O)C(=O)Nc1cc(F)c(Br)cc1F)[C@@H]1CCCO1 ZINC000122656705 532078655 /nfs/dbraw/zinc/07/86/55/532078655.db2.gz WXMGHVXYYSPHER-MADCSZMMSA-N 0 0 377.185 2.350 10 0 GEAERN C[C@@H](NC(=O)C(=O)Nc1cc(F)c(Br)cc1F)[C@@H]1CCCO1 ZINC000122656885 532078958 /nfs/dbraw/zinc/07/89/58/532078958.db2.gz WXMGHVXYYSPHER-KRTXAFLBSA-N 0 0 377.185 2.350 10 0 GEAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000174983247 532085891 /nfs/dbraw/zinc/08/58/91/532085891.db2.gz BMIHMQADOUGYFL-UFBFGSQYSA-N 0 0 391.212 2.333 10 0 GEAERN Cc1cc(N2CCC[C@@H](NC(=O)c3sccc3Br)C2=O)n(C)n1 ZINC000175016136 532086866 /nfs/dbraw/zinc/08/68/66/532086866.db2.gz VGSKEOYOIDSLQN-LLVKDONJSA-N 0 0 397.298 2.478 10 0 GEAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000122997002 532089217 /nfs/dbraw/zinc/08/92/17/532089217.db2.gz BQEHEGZWHKSNJR-SDBXPKJASA-N 0 0 391.212 2.333 10 0 GEAERN O=C(Nc1cc(F)c(Br)cc1F)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000123072461 532091846 /nfs/dbraw/zinc/09/18/46/532091846.db2.gz JMWWCPWFGKKIIN-PWSUYJOCSA-N 0 0 377.185 2.086 10 0 GEAERN Cc1noc(C)c1S(=O)(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000175225554 532093845 /nfs/dbraw/zinc/09/38/45/532093845.db2.gz WWGXRFLPGOBLKP-RISCZKNCSA-N 0 0 385.511 2.093 10 0 GEAERN O=C(c1cc(I)c[nH]1)N1CC[C@H](Oc2cccnc2)C1 ZINC000123293075 532097692 /nfs/dbraw/zinc/09/76/92/532097692.db2.gz GZXRUZYIFVGLSS-LBPRGKRZSA-N 0 0 383.189 2.308 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)NCc3cc(Br)cs3)CCO2)[nH]1 ZINC000175405716 532102896 /nfs/dbraw/zinc/10/28/96/532102896.db2.gz CJZLFIJJHUGPPN-LLVKDONJSA-N 0 0 386.275 2.220 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)NCc3ccccc3Br)CCO2)[nH]1 ZINC000175462789 532103676 /nfs/dbraw/zinc/10/36/76/532103676.db2.gz SYGYCLMOHUATKS-CYBMUJFWSA-N 0 0 380.246 2.159 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)NCc3cccc(Br)c3)CCO2)[nH]1 ZINC000175462657 532104033 /nfs/dbraw/zinc/10/40/33/532104033.db2.gz FKQGXRSMZQRFCE-ZDUSSCGKSA-N 0 0 380.246 2.159 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)NCc3ccc(Br)c(F)c3)CCO2)[nH]1 ZINC000175464597 532104395 /nfs/dbraw/zinc/10/43/95/532104395.db2.gz GYDBOBFWWUDEEW-ZDUSSCGKSA-N 0 0 398.236 2.298 10 0 GEAERN C[C@H](NC(=O)C(=O)Nc1cnn(-c2ncccn2)c1)c1ccc(Cl)s1 ZINC000123693430 532105327 /nfs/dbraw/zinc/10/53/27/532105327.db2.gz JTSHNRSCJLCQOG-VIFPVBQESA-N 0 0 376.829 2.193 10 0 GEAERN CC(=O)N[C@H]1CCCN(C(=O)c2cccc(I)c2C)C1 ZINC000123883930 532109760 /nfs/dbraw/zinc/10/97/60/532109760.db2.gz XUHLPBRMFJNWJV-LBPRGKRZSA-N 0 0 386.233 2.340 10 0 GEAERN O=S(=O)(CCN1CCC[C@H](n2cncn2)C1)c1cccc(Br)c1 ZINC000175641333 532110516 /nfs/dbraw/zinc/11/05/16/532110516.db2.gz VHRXPPLGNUOGFR-AWEZNQCLSA-N 0 0 399.314 2.151 10 0 GEAERN O=C(CNC(=O)c1ccc(Br)o1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000176463353 532138969 /nfs/dbraw/zinc/13/89/69/532138969.db2.gz XAEMKKUHFKTOPN-LLVKDONJSA-N 0 0 381.230 2.249 10 0 GEAERN NS(=O)(=O)c1ccc(CNC(=O)N2CCCC[C@H]2c2nccs2)s1 ZINC000176156325 532127301 /nfs/dbraw/zinc/12/73/01/532127301.db2.gz BAGJOIYPMXNMTC-NSHDSACASA-N 0 0 386.524 2.289 10 0 GEAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2occc2Br)ncn1 ZINC000176198131 532129956 /nfs/dbraw/zinc/12/99/56/532129956.db2.gz PQLGGUAIURYJBT-JTQLQIEISA-N 0 0 380.246 2.273 10 0 GEAERN COc1nc(N(C)[C@@H]2CCCN(c3cccnn3)C2)ncc1Br ZINC000176248380 532131359 /nfs/dbraw/zinc/13/13/59/532131359.db2.gz INXFQZQREQVKFT-LLVKDONJSA-N 0 0 379.262 2.143 10 0 GEAERN CS(=O)(=O)Nc1cc(C(=O)N2CCC(c3cc[nH]n3)CC2)ccc1Cl ZINC000125541487 532138171 /nfs/dbraw/zinc/13/81/71/532138171.db2.gz JHAWWIINGHDRIQ-UHFFFAOYSA-N 0 0 382.873 2.454 10 0 GEAERN CC(C)n1nnnc1C[S@](=O)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000176568634 532141377 /nfs/dbraw/zinc/14/13/77/532141377.db2.gz IXMNZODYOHWKMX-VWLOTQADSA-N 0 0 375.376 2.160 10 0 GEAERN C[C@@H]1CN([C@@H](CNC(=O)CSc2nncs2)c2cccs2)CCO1 ZINC000176594028 532143126 /nfs/dbraw/zinc/14/31/26/532143126.db2.gz RNGKEOWQBIZRJH-NEPJUHHUSA-N 0 0 384.552 2.270 10 0 GEAERN Cn1cc(CN2CCCN(C(=O)Nc3cncc(Br)c3)CC2)cn1 ZINC000126285585 532147250 /nfs/dbraw/zinc/14/72/50/532147250.db2.gz BWDJJWPQKIFRNB-UHFFFAOYSA-N 0 0 393.289 2.317 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(Br)c(C)c1 ZINC000177006456 532158858 /nfs/dbraw/zinc/15/88/58/532158858.db2.gz DARFRGVXBRCLOY-ZDUSSCGKSA-N 0 0 385.287 2.471 10 0 GEAERN COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1CCCC[C@H]1O ZINC000177169063 532163366 /nfs/dbraw/zinc/16/33/66/532163366.db2.gz KSCMVPYJKRKHIV-NWDGAFQWSA-N 0 0 385.258 2.124 10 0 GEAERN CC(C)c1csc(CNC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000177734777 532181564 /nfs/dbraw/zinc/18/15/64/532181564.db2.gz ROTALMYTPFFWOL-NSHDSACASA-N 0 0 382.511 2.474 10 0 GEAERN C[C@H](NC(=O)c1c(F)c(F)cc(F)c1F)c1ccc(S(N)(=O)=O)cc1 ZINC000177470895 532172625 /nfs/dbraw/zinc/17/26/25/532172625.db2.gz HRDCVVOEYZTEKT-ZETCQYMHSA-N 0 0 376.331 2.381 10 0 GEAERN COc1cc(C(=O)N[C@H]2CCCn3ncnc32)cc(OC)c1Br ZINC000177575129 532176755 /nfs/dbraw/zinc/17/67/55/532176755.db2.gz WZXFZIHXLNSATF-JTQLQIEISA-N 0 0 381.230 2.323 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cccc(Cl)c1Cl)CC2 ZINC000177636774 532177725 /nfs/dbraw/zinc/17/77/25/532177725.db2.gz IKLVMOJDKFIMCJ-VIFPVBQESA-N 0 0 382.251 2.217 10 0 GEAERN C[C@H](NS(=O)(=O)c1ccc(Cl)nc1Cl)c1nnc2n1CCCC2 ZINC000178373694 532200312 /nfs/dbraw/zinc/20/03/12/532200312.db2.gz PQNASGODWUTRRV-QMMMGPOBSA-N 0 0 376.269 2.356 10 0 GEAERN Cc1ccc(I)cc1C(=O)NC[C@@H](C)N1CCOCC1 ZINC000130115571 532189034 /nfs/dbraw/zinc/18/90/34/532189034.db2.gz ZNVHKMKLRRDVRS-GFCCVEGCSA-N 0 0 388.249 2.050 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)c3ccc(C(F)(F)F)nc3Cl)CCO2)[nH]1 ZINC000178555608 532205178 /nfs/dbraw/zinc/20/51/78/532205178.db2.gz GHCKVOZPJBDICY-SECBINFHSA-N 0 0 375.738 2.394 10 0 GEAERN Cc1cc(NC(=O)C(=O)N[C@@H]2C[C@H]2C)n(-c2cccc(Br)c2)n1 ZINC000132004167 532207210 /nfs/dbraw/zinc/20/72/10/532207210.db2.gz IMTIJLPKQQFIJF-NOZJJQNGSA-N 0 0 377.242 2.406 10 0 GEAERN CCn1c(SCC(=O)N[C@@H](C(=O)NC)C(C)C)nnc1-c1cccs1 ZINC000178684483 532209908 /nfs/dbraw/zinc/20/99/08/532209908.db2.gz HMFPISYPZYOYCZ-CYBMUJFWSA-N 0 0 381.527 2.005 10 0 GEAERN CNC(=O)[C@H](NC(=O)c1cc(I)cc(C)c1C)C(C)C ZINC000178843984 532214812 /nfs/dbraw/zinc/21/48/12/532214812.db2.gz SJZLZLDROUFWNQ-CYBMUJFWSA-N 0 0 388.249 2.408 10 0 GEAERN O=C(Nc1ccccc1Cl)C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000178532536 532204103 /nfs/dbraw/zinc/20/41/03/532204103.db2.gz NQFDXWFEVLHMKP-ZDUSSCGKSA-N 0 0 378.837 2.313 10 0 GEAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(Br)cc1C(C)C)C(C)C ZINC000179289071 532227531 /nfs/dbraw/zinc/22/75/31/532227531.db2.gz FVDURUBTDVGSCV-CQSZACIVSA-N 0 0 398.301 2.398 10 0 GEAERN CCOC(=O)[C@H](NC[C@@H]1CN(C)CCO1)c1ccc(Br)cc1F ZINC000132992624 532224693 /nfs/dbraw/zinc/22/46/93/532224693.db2.gz PEXCWKYXKBWUPF-IUODEOHRSA-N 0 0 389.265 2.113 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)N(C)Cc1cc(Br)cn1C)CC2 ZINC000133010571 532224995 /nfs/dbraw/zinc/22/49/95/532224995.db2.gz UUXQROUTNOMKHW-LBPRGKRZSA-N 0 0 395.305 2.098 10 0 GEAERN COc1cccc(Cl)c1CC(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000133712674 532241243 /nfs/dbraw/zinc/24/12/43/532241243.db2.gz HJHDZUZMWOVVFJ-NSHDSACASA-N 0 0 382.869 2.416 10 0 GEAERN O=C(NCCOc1c(Cl)cc(Br)cc1Cl)[C@@H]1CNC(=O)C1 ZINC000179856292 532248214 /nfs/dbraw/zinc/24/82/14/532248214.db2.gz KFCRUHARRIBOGT-ZETCQYMHSA-N 0 0 396.068 2.387 10 0 GEAERN COCCN(C(=O)N[C@@H](C)c1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000179570754 532236044 /nfs/dbraw/zinc/23/60/44/532236044.db2.gz ZOBQOWOTYQNINP-WDEREUQCSA-N 0 0 380.919 2.308 10 0 GEAERN COCCN(C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000179602326 532238273 /nfs/dbraw/zinc/23/82/73/532238273.db2.gz CXPSWRKBFRAYCW-WCQYABFASA-N 0 0 392.880 2.385 10 0 GEAERN O=C(COc1cccc(Br)c1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000135288349 532269929 /nfs/dbraw/zinc/26/99/29/532269929.db2.gz COLGJPAHZULZDA-AWEZNQCLSA-N 0 0 391.269 2.403 10 0 GEAERN CCc1nnc(CS(=O)(=O)CC(=O)Nc2c(C)cc(C)cc2Cl)n1C ZINC000180084796 532256958 /nfs/dbraw/zinc/25/69/58/532256958.db2.gz SZLRAADLRNHSEB-UHFFFAOYSA-N 0 0 384.889 2.201 10 0 GEAERN C[C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)C[C@H]1N1CCOCC1 ZINC000180252961 532263850 /nfs/dbraw/zinc/26/38/50/532263850.db2.gz VNWJTTRJGVWTRW-SMDDNHRTSA-N 0 0 386.279 2.111 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(OC)c(Br)s1)CC2 ZINC000134855159 532263960 /nfs/dbraw/zinc/26/39/60/532263960.db2.gz XOQNINDCCNFVKA-QMMMGPOBSA-N 0 0 385.287 2.418 10 0 GEAERN Cc1cc(S(=O)(=O)N2CCC[C@H](Cn3cncn3)C2)ccc1Br ZINC000180980161 532287101 /nfs/dbraw/zinc/28/71/01/532287101.db2.gz DLAJEMARAFNPED-CYBMUJFWSA-N 0 0 399.314 2.450 10 0 GEAERN Cc1ccc(Br)c(S(=O)(=O)N2CCC[C@H](Cn3cncn3)C2)c1 ZINC000180977816 532287248 /nfs/dbraw/zinc/28/72/48/532287248.db2.gz OAPWSSZTCBACBQ-CYBMUJFWSA-N 0 0 399.314 2.450 10 0 GEAERN O=S(=O)(c1ccc(Cl)nc1Cl)N1CCC[C@@H](Cn2cncn2)C1 ZINC000180971318 532287439 /nfs/dbraw/zinc/28/74/39/532287439.db2.gz AKXPLDHATPWEGF-JTQLQIEISA-N 0 0 376.269 2.081 10 0 GEAERN C[C@@H](NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1)c1ccc(Cl)s1 ZINC000181030535 532289151 /nfs/dbraw/zinc/28/91/51/532289151.db2.gz ZPXNHQHZOOPESX-SECBINFHSA-N 0 0 375.903 2.481 10 0 GEAERN C[C@H](NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1)c1ccc(Cl)s1 ZINC000181030516 532289365 /nfs/dbraw/zinc/28/93/65/532289365.db2.gz ZPXNHQHZOOPESX-VIFPVBQESA-N 0 0 375.903 2.481 10 0 GEAERN C[C@H](NCc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1ccc(Cl)c(Cl)c1 ZINC000181530206 532301008 /nfs/dbraw/zinc/30/10/08/532301008.db2.gz CPMSEZAULXGQLA-QMMMGPOBSA-N 0 0 382.251 2.118 10 0 GEAERN CNC(=O)[C@H]1CN(C(=O)N[C@@H](C)c2c(Cl)ccc(F)c2Cl)CCO1 ZINC000181573941 532302478 /nfs/dbraw/zinc/30/24/78/532302478.db2.gz VYZRHGQTOMCLRG-GZMMTYOYSA-N 0 0 378.231 2.350 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)Cc3ccc(Br)cc3C)CCO2)[nH]1 ZINC000182219567 532310532 /nfs/dbraw/zinc/31/05/32/532310532.db2.gz WBJSTSAXIVUEIX-AWEZNQCLSA-N 0 0 379.258 2.327 10 0 GEAERN CCc1nnc([C@@H]2CN(C(=O)Nc3cnc(Br)c(C)c3)CCO2)[nH]1 ZINC000182419940 532312966 /nfs/dbraw/zinc/31/29/66/532312966.db2.gz AKMQKBFUSFMBFL-NSHDSACASA-N 0 0 395.261 2.438 10 0 GEAERN Cc1cc(NC(=O)C(=O)N2CCC[C@H]2c2cnn(C)c2)cnc1Br ZINC000182739444 532317067 /nfs/dbraw/zinc/31/70/67/532317067.db2.gz RIELCTSRBAECQC-ZDUSSCGKSA-N 0 0 392.257 2.188 10 0 GEAERN Cc1csc([C@@H](C)CNC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000182802353 532317954 /nfs/dbraw/zinc/31/79/54/532317954.db2.gz KJAJNGLNQVTOEP-JQWIXIFHSA-N 0 0 382.511 2.263 10 0 GEAERN CS(=O)(=O)NCCNC(=O)[C@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000183031546 532321125 /nfs/dbraw/zinc/32/11/25/532321125.db2.gz JBIYQNYMNYYPHN-GXTWGEPZSA-N 0 0 395.308 2.127 10 0 GEAERN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N(C)c2nncs2)cc1 ZINC000185368495 532337733 /nfs/dbraw/zinc/33/77/33/532337733.db2.gz MRTRPJGKPYJNSU-CQSZACIVSA-N 0 0 382.511 2.203 10 0 GEAERN CCN(CC1CC1)S(=O)(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000183955048 532330355 /nfs/dbraw/zinc/33/03/55/532330355.db2.gz LOUJKPFZZQBATE-GDBMZVCRSA-N 0 0 387.571 2.076 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc2c(cccc2Cl)n1C ZINC000184415109 532332686 /nfs/dbraw/zinc/33/26/86/532332686.db2.gz UDWQYPQYDQZFAL-ZDUSSCGKSA-N 0 0 384.889 2.369 10 0 GEAERN COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000184674133 532334309 /nfs/dbraw/zinc/33/43/09/532334309.db2.gz NXYAEKDHAXOUDJ-AAEUAGOBSA-N 0 0 399.285 2.372 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cc(C)cc(Br)c1 ZINC000188125934 532346695 /nfs/dbraw/zinc/34/66/95/532346695.db2.gz XBCMDANKZSDDBL-ZDUSSCGKSA-N 0 0 392.257 2.247 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cc(C)cc(Br)c1 ZINC000188125909 532346722 /nfs/dbraw/zinc/34/67/22/532346722.db2.gz XBCMDANKZSDDBL-CYBMUJFWSA-N 0 0 392.257 2.247 10 0 GEAERN O=C(Cc1ccc(F)cc1Br)N1CCO[C@H](Cn2cccn2)C1 ZINC000188155732 532347007 /nfs/dbraw/zinc/34/70/07/532347007.db2.gz DSUINCIGECJCKP-AWEZNQCLSA-N 0 0 382.233 2.255 10 0 GEAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000188426998 532348162 /nfs/dbraw/zinc/34/81/62/532348162.db2.gz QCQODMHNOQOPLM-BXKDBHETSA-N 0 0 395.175 2.388 10 0 GEAERN CCOc1ccc(NC(=O)C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1Br ZINC000188466514 532348326 /nfs/dbraw/zinc/34/83/26/532348326.db2.gz YNCQVELBWLRYOO-GHMZBOCLSA-N 0 0 385.258 2.422 10 0 GEAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cccc(Br)n1 ZINC000188574871 532348648 /nfs/dbraw/zinc/34/86/48/532348648.db2.gz JSWLGXXOUJTJBJ-VIFPVBQESA-N 0 0 381.234 2.239 10 0 GEAERN C[C@@H](O)CN1CCN(C(=O)C2(c3ccccc3Br)CC2)C[C@H]1C ZINC000188659190 532349096 /nfs/dbraw/zinc/34/90/96/532349096.db2.gz MJCPEYNJTVOSQL-ZIAGYGMSSA-N 0 0 381.314 2.394 10 0 GEAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2nc(Br)cs2)CC1 ZINC000188871938 532350007 /nfs/dbraw/zinc/35/00/07/532350007.db2.gz SPFIZTGREZVYKI-UHFFFAOYSA-N 0 0 398.330 2.214 10 0 GEAERN CC[C@H]1CN(C(=O)c2cc(Br)ncc2Cl)CCN1C[C@@H](C)O ZINC000188893473 532350016 /nfs/dbraw/zinc/35/00/16/532350016.db2.gz BZJZBOIXBNDQQH-MNOVXSKESA-N 0 0 390.709 2.415 10 0 GEAERN C[C@@H](O)C[N@@H+]1CCN(CCOc2cc(F)cc(Br)c2)C[C@H]1C ZINC000188955924 532350436 /nfs/dbraw/zinc/35/04/36/532350436.db2.gz UZNPMNOLBXKHOV-CHWSQXEVSA-N 0 0 375.282 2.354 10 0 GEAERN CCn1cc([C@H]2CN(S(=O)(=O)c3ccc(Cl)nc3Cl)CCO2)cn1 ZINC000189222495 532351437 /nfs/dbraw/zinc/35/14/37/532351437.db2.gz ASZDVUDEMSYKIT-LLVKDONJSA-N 0 0 391.280 2.367 10 0 GEAERN COCCN(Cc1sccc1Br)C(=O)[C@H]1C[C@@H]1C(=O)OC ZINC000190188981 532355248 /nfs/dbraw/zinc/35/52/48/532355248.db2.gz BNHJOQPSGHJIOT-UWVGGRQHSA-N 0 0 376.272 2.295 10 0 GEAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000190361691 532355649 /nfs/dbraw/zinc/35/56/49/532355649.db2.gz SVRAQBUVVVNDAF-VIFPVBQESA-N 0 0 376.215 2.198 10 0 GEAERN CC(=O)NC1CN(C(=O)c2cc(Br)sc2Br)C1 ZINC000190527699 532356664 /nfs/dbraw/zinc/35/66/64/532356664.db2.gz FGYGYMXYTOMBLV-UHFFFAOYSA-N 0 0 382.077 2.234 10 0 GEAERN CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CCCNC(=O)[C@H]1C ZINC000190673763 532357383 /nfs/dbraw/zinc/35/73/83/532357383.db2.gz YLXMORSDXWBBMP-LLVKDONJSA-N 0 0 396.285 2.248 10 0 GEAERN C[C@H](NC(=O)C(=O)Nc1cc(Br)c(F)cc1F)[C@H]1CCCO1 ZINC000190772004 532357773 /nfs/dbraw/zinc/35/77/73/532357773.db2.gz NISFNKMEDUQSNG-JVXZTZIISA-N 0 0 377.185 2.350 10 0 GEAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000190992087 532358985 /nfs/dbraw/zinc/35/89/85/532358985.db2.gz CVYBJDYYSPBOLP-SECBINFHSA-N 0 0 395.706 2.143 10 0 GEAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1ccc(Br)cc1Cl ZINC000190989027 532359087 /nfs/dbraw/zinc/35/90/87/532359087.db2.gz JQAUGWJIWRWGGD-MRVPVSSYSA-N 0 0 381.679 2.002 10 0 GEAERN O=C(Nc1cc(F)cc(F)c1Br)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000191229199 532359979 /nfs/dbraw/zinc/35/99/79/532359979.db2.gz WSBVGAUBOPZMMP-KCJUWKMLSA-N 0 0 391.212 2.333 10 0 GEAERN O=C(Nc1cc(F)cc(F)c1Br)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000191229063 532360061 /nfs/dbraw/zinc/36/00/61/532360061.db2.gz ALAYEKASVONUOL-KOLCDFICSA-N 0 0 377.185 2.086 10 0 GEAERN C[C@H]1CN(C(=O)c2cc(Br)ncc2Cl)C[C@H]1N1CCOCC1 ZINC000187596539 532344921 /nfs/dbraw/zinc/34/49/21/532344921.db2.gz VWBYWQPZNJELKR-GXFFZTMASA-N 0 0 388.693 2.290 10 0 GEAERN COc1cc(Br)ccc1CCCNC(=O)N1CCCNC(=O)[C@H]1C ZINC000191555072 532361396 /nfs/dbraw/zinc/36/13/96/532361396.db2.gz JJEXECACTCKCIQ-GFCCVEGCSA-N 0 0 398.301 2.310 10 0 GEAERN C[N@H+](CC(=O)[O-])C1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000191735339 532364959 /nfs/dbraw/zinc/36/49/59/532364959.db2.gz ZXTOOIYNEHAIJQ-UHFFFAOYSA-N 0 0 395.297 2.488 10 0 GEAERN C[C@H](NC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1)C(=O)N(C)C ZINC000191811697 532368205 /nfs/dbraw/zinc/36/82/05/532368205.db2.gz CXJJNYVMTNPVHL-SWLSCSKDSA-N 0 0 382.302 2.179 10 0 GEAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCC(=O)N1CCOCC1 ZINC000192784814 532411611 /nfs/dbraw/zinc/41/16/11/532411611.db2.gz 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/nfs/dbraw/zinc/53/59/20/532535920.db2.gz LEVDMAKUJDHEOS-GXTWGEPZSA-N 0 0 379.507 2.326 10 0 GEAERN C[S@@](=O)c1ccc(CNS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)cc1 ZINC000246644353 532541896 /nfs/dbraw/zinc/54/18/96/532541896.db2.gz ZSLTZPRXRKNFRV-MYXDTRPFSA-N 0 0 383.535 2.239 10 0 GEAERN C[C@@H]1C[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1N1CCOCC1 ZINC000246634784 532543373 /nfs/dbraw/zinc/54/33/73/532543373.db2.gz ZROZOSRRTWGXJT-FRFSOERESA-N 0 0 389.323 2.386 10 0 GEAERN COC(=O)[C@@H](c1cccc(Br)c1)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000245896423 532524874 /nfs/dbraw/zinc/52/48/74/532524874.db2.gz KLNOFHBLXYFFSV-ZIAGYGMSSA-N 0 0 395.257 2.163 10 0 GEAERN COc1cc(Cl)c(S(=O)(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)cc1Cl ZINC000246222859 532533468 /nfs/dbraw/zinc/53/34/68/532533468.db2.gz VKKMBILUHBIGQG-QWRGUYRKSA-N 0 0 397.324 2.078 10 0 GEAERN O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@H]1CC(F)(F)CN1 ZINC000263079354 532613932 /nfs/dbraw/zinc/61/39/32/532613932.db2.gz XJSKAHFCEMJCIE-VXGBXAGGSA-N 0 0 378.206 2.212 10 0 GEAERN O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@H]1CC(F)(F)CN1 ZINC000263079345 532614124 /nfs/dbraw/zinc/61/41/24/532614124.db2.gz XJSKAHFCEMJCIE-NWDGAFQWSA-N 0 0 378.206 2.212 10 0 GEAERN CCSc1ccc(Cl)cc1C(=O)N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262845147 532604176 /nfs/dbraw/zinc/60/41/76/532604176.db2.gz JJBUQTJEMXJYQG-CYBMUJFWSA-N 0 0 386.901 2.309 10 0 GEAERN Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@H]1CC(F)(F)CN1 ZINC000263293401 532622786 /nfs/dbraw/zinc/62/27/86/532622786.db2.gz VYKNWQABXQVHPB-GFCCVEGCSA-N 0 0 390.228 2.200 10 0 GEAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(c2nnc(-c3ccccc3Cl)s2)CCO1 ZINC000263446129 532626044 /nfs/dbraw/zinc/62/60/44/532626044.db2.gz YSEWGRKLEPURNK-LLVKDONJSA-N 0 0 382.873 2.080 10 0 GEAERN CN(C)C(=O)[C@H]1CCCN(c2ccc(F)cc2S(=O)(=O)C(F)(F)F)C1 ZINC000301185479 532742897 /nfs/dbraw/zinc/74/28/97/532742897.db2.gz OZYJZDJIXJTHLJ-JTQLQIEISA-N 0 0 382.379 2.424 10 0 GEAERN Cc1nc(NC[C@@H](O)CS(=O)(=O)c2cccs2)ccc1Br ZINC000302110439 532766222 /nfs/dbraw/zinc/76/62/22/532766222.db2.gz ZIBRKUVRVGNCTK-SNVBAGLBSA-N 0 0 391.312 2.461 10 0 GEAERN Cc1csc2nc(C)c(S(=O)(=O)N3CCc4ccccc4C3)c(=O)n12 ZINC000006823801 209128241 /nfs/dbraw/zinc/12/82/41/209128241.db2.gz IMWQDTHFDBSTTK-UHFFFAOYSA-N 0 0 375.475 2.120 10 0 GEAERN CC(C)c1noc(-c2cc(=O)n(CC(=O)NC[C@@H]3CCCO3)c3ccccc23)n1 ZINC000067317826 206225123 /nfs/dbraw/zinc/22/51/23/206225123.db2.gz MRMQJHNVNSZALQ-AWEZNQCLSA-N 0 0 396.447 2.470 10 0 GEAERN CNC(=O)c1ccc([C@H]2CCCCN2Cc2cc(=O)n3ccccc3n2)n1C ZINC000328628471 206234892 /nfs/dbraw/zinc/23/48/92/206234892.db2.gz HHMISJJSDGPBBE-QGZVFWFLSA-N 0 0 379.464 2.120 10 0 GEAERN NC(=O)c1cnc(N2CCC[C@H]2c2nc(C(=O)NC3CC3)no2)c(Cl)c1 ZINC000328629141 206235855 /nfs/dbraw/zinc/23/58/55/206235855.db2.gz OLESYKSWTMIORJ-NSHDSACASA-N 0 0 376.804 2.235 10 0 GEAERN Cn1c2c(nc1[C@H]1CCCN1C[C@H]1CCCN(S(C)(=O)=O)C1)CCCC2 ZINC000328645155 206237576 /nfs/dbraw/zinc/23/75/76/206237576.db2.gz SAPPBQSDULPHDW-CRAIPNDOSA-N 0 0 380.558 2.107 10 0 GEAERN CC[C@@H](C)[C@@H](NC(=O)CSCc1nc2ccccc2c(=O)[nH]1)C(=O)OC ZINC000334162728 206255198 /nfs/dbraw/zinc/25/51/98/206255198.db2.gz YMJUXTLUDPHTIN-BDJLRTHQSA-N 0 0 377.466 2.273 10 0 GEAERN Cc1ccc(NC(=O)N2CCC(Cn3cc(CN4CCOCC4)nn3)CC2)cc1 ZINC000023366913 206252799 /nfs/dbraw/zinc/25/27/99/206252799.db2.gz VENOUCURIRXIIO-UHFFFAOYSA-N 0 0 398.511 2.363 10 0 GEAERN C[NH2+]C[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C1 ZINC000005852435 206292911 /nfs/dbraw/zinc/29/29/11/206292911.db2.gz XKGVOPJHIWQLRX-SNVBAGLBSA-N 0 0 377.391 2.359 10 0 GEAERN O=C([O-])c1cn(-c2ccccc2F)c2cc(N3CC[NH2+]CC3)c(F)cc2c1=O ZINC000005933984 206292948 /nfs/dbraw/zinc/29/29/48/206292948.db2.gz ARZDSVFJNIANND-UHFFFAOYSA-N 0 0 385.370 2.377 10 0 GEAERN CCOC(=O)C1=CNN=C[C@@]12C(=O)N=C(Nc1ccccc1)N2c1ccccc1 ZINC000005499652 206293865 /nfs/dbraw/zinc/29/38/65/206293865.db2.gz BCALEAJVGLIWCP-NRFANRHFSA-N 0 0 389.415 2.276 10 0 GEAERN COc1cc([C@@H]2Oc3c4oc(=O)ccc4cc(OC)c3O[C@H]2CO)ccc1O ZINC000013400406 206295445 /nfs/dbraw/zinc/29/54/45/206295445.db2.gz XGADTAYOFHOFIW-RDJZCZTQSA-N 0 0 386.356 2.389 10 0 biogenic,in-vitro GEAERN COc1cc2nc(N(C)CCCNC(=O)c3ccccc3)nc(N)c2cc1OC ZINC000026566361 206303433 /nfs/dbraw/zinc/30/34/33/206303433.db2.gz MSWPIQSFWSHEJV-UHFFFAOYSA-N 0 0 395.463 2.486 10 0 GEAERN COCCNC(=O)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1 ZINC000002938589 206447439 /nfs/dbraw/zinc/44/74/39/206447439.db2.gz XMJZEUAIYULSAC-AWEZNQCLSA-N 0 0 386.857 2.105 10 0 GEAERN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc[nH]3)c(=O)n2[C@H]1c1ccccc1 ZINC000004923621 206572748 /nfs/dbraw/zinc/57/27/48/206572748.db2.gz FDVBFMDWZWIMIB-XOQYZJNISA-N 0 0 393.468 2.126 10 0 GEAERN CCc1nnc(NC(=O)C2=CCN(S(=O)(=O)c3ccccc3)CC2)s1 ZINC000005107952 206592550 /nfs/dbraw/zinc/59/25/50/206592550.db2.gz FPYVAEKDXLRKRS-UHFFFAOYSA-N 0 0 378.479 2.060 10 0 GEAERN O=C(CCNC(=O)Cn1ccc2ccccc2c1=O)Nc1ccc(F)cc1F ZINC000008591932 206756635 /nfs/dbraw/zinc/75/66/35/206756635.db2.gz NUDYPAFJSZACEE-UHFFFAOYSA-N 0 0 385.370 2.425 10 0 GEAERN CC1(C)CS(=O)(=O)N(c2ccc(Cl)c(C(=O)Nc3ncccn3)c2)C1=O ZINC000012005712 206848567 /nfs/dbraw/zinc/84/85/67/206848567.db2.gz IWUUFIZFJKLOLQ-UHFFFAOYSA-N 0 0 394.840 2.085 10 0 GEAERN CC(C)NC(=O)c1cn(CC[C@@H]2CCCCN2C(=O)CCc2cccnc2)nn1 ZINC000012247444 206875889 /nfs/dbraw/zinc/87/58/89/206875889.db2.gz FSLQUGYVFJKSBN-SFHVURJKSA-N 0 0 398.511 2.215 10 0 GEAERN CN(Cc1ccon1)[C@@H]1CCc2c(c(C(=O)NCc3cccs3)nn2C)C1 ZINC000014534526 207023082 /nfs/dbraw/zinc/02/30/82/207023082.db2.gz GOWYQVMKMBZOHH-CQSZACIVSA-N 0 0 385.493 2.389 10 0 GEAERN C/C=C(\C)C(=O)O[C@H](c1cc2ccc(=O)oc2cc1OC)[C@@H](O)C(C)(C)O ZINC000014589875 207025360 /nfs/dbraw/zinc/02/53/60/207025360.db2.gz BAHUBXAYVOCLNA-OEQDPHDDSA-N 0 0 376.405 2.484 10 0 biogenic,in-vitro GEAERN Cc1ccc(CN2CCN3C(=O)[C@H](Cc4ccccc4)N(C)C(=O)[C@H]3C2)cc1 ZINC000014740745 207028075 /nfs/dbraw/zinc/02/80/75/207028075.db2.gz XEZYXNXXURLFNY-LEWJYISDSA-N 0 0 377.488 2.091 10 0 GEAERN COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)Cn3ccc(C)n3)C2)CC1 ZINC000014979651 207037504 /nfs/dbraw/zinc/03/75/04/207037504.db2.gz AYHCZZSKBVTAHT-LJQANCHMSA-N 0 0 397.523 2.013 10 0 GEAERN COc1ccccc1N1CCN(Cc2cc(=O)n3nc(C4CC4)sc3n2)CC1 ZINC000015731878 207057962 /nfs/dbraw/zinc/05/79/62/207057962.db2.gz HESLJCDWUHXILA-UHFFFAOYSA-N 0 0 397.504 2.359 10 0 GEAERN Cc1ccc2[nH]c([C@@H](NC(=O)C[C@@H]3C(=O)NCCN3C(C)C)C(C)C)nc2c1 ZINC000019641696 207145267 /nfs/dbraw/zinc/14/52/67/207145267.db2.gz BIXZSFOLKUYJHB-MJGOQNOKSA-N 0 0 385.512 2.284 10 0 GEAERN COc1ccc(CNC(=O)Cn2ncn3c(cc4cc(F)ccc43)c2=O)cc1 ZINC000020862837 207217281 /nfs/dbraw/zinc/21/72/81/207217281.db2.gz CKVXMKHUTPYLRK-UHFFFAOYSA-N 0 0 380.379 2.113 10 0 GEAERN Cc1ccc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccc(F)cc2)s1 ZINC000020905583 207218984 /nfs/dbraw/zinc/21/89/84/207218984.db2.gz POSXMSCYBHGRDG-KRWDZBQOSA-N 0 0 375.469 2.203 10 0 GEAERN CC1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@@H](N2CCOCC2)S3)CC1 ZINC000020724343 207211575 /nfs/dbraw/zinc/21/15/75/207211575.db2.gz OHWZUKOQAJNDIH-IBGZPJMESA-N 0 0 375.494 2.261 10 0 GEAERN O=C(Cn1c(=O)oc2ccccc21)N(CCc1ccncc1)C[C@H]1CCCO1 ZINC000021920362 207242415 /nfs/dbraw/zinc/24/24/15/207242415.db2.gz IIEZSSWPICEFSN-QGZVFWFLSA-N 0 0 381.432 2.240 10 0 GEAERN CC(C)N1CCNC(=O)[C@H]1CC(=O)NCc1ccc(C(F)(F)F)cc1F ZINC000012702178 207329239 /nfs/dbraw/zinc/32/92/39/207329239.db2.gz NULRLEUJLJLRSR-CQSZACIVSA-N 0 0 375.366 2.060 10 0 GEAERN COC(=O)c1ccc(Nc2nnc(SCc3ccccc3)n(N)c2=O)cc1 ZINC000028535697 207343450 /nfs/dbraw/zinc/34/34/50/207343450.db2.gz NYQQXRFNEQYXQF-UHFFFAOYSA-N 0 0 383.433 2.175 10 0 GEAERN CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000368944731 532935638 /nfs/dbraw/zinc/93/56/38/532935638.db2.gz GPSUWFPOPVHXGP-MNOVXSKESA-N 0 0 376.404 2.056 10 0 GEAERN Cc1c(C(=O)NC[C@@H]2CCCO2)cnn1-c1ccc(-c2nc(C3CC3)no2)cn1 ZINC000065251510 207853084 /nfs/dbraw/zinc/85/30/84/207853084.db2.gz SPWNDRXMAGCXPU-HNNXBMFYSA-N 0 0 394.435 2.412 10 0 GEAERN CO[C@H]1CCCN(C(=O)c2ccc3c(c2)CN(CCCn2ccnc2)C3=O)C1 ZINC000072422841 208023302 /nfs/dbraw/zinc/02/33/02/208023302.db2.gz SIPNCYDGGQIFDT-SFHVURJKSA-N 0 0 382.464 2.180 10 0 GEAERN COc1ccc2c(c1)[C@@H](C(=O)N1CCCN(Cc3ccncc3)CC1)CC(=O)N2 ZINC000091518761 208124075 /nfs/dbraw/zinc/12/40/75/208124075.db2.gz SYPLKPBMVFBNQP-IBGZPJMESA-N 0 0 394.475 2.251 10 0 GEAERN Cc1cc(Cl)nc(S(=O)(=O)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000095090494 208155948 /nfs/dbraw/zinc/15/59/48/208155948.db2.gz RPYJFNBHQXMKHH-NSHDSACASA-N 0 0 375.878 2.469 10 0 GEAERN Cc1nnsc1C(=O)N1CCC[C@]2(CCC(=O)N(CCc3ccccn3)C2)C1 ZINC000095508299 208210528 /nfs/dbraw/zinc/21/05/28/208210528.db2.gz PZBUVEFMYNYQPG-HXUWFJFHSA-N 0 0 399.520 2.329 10 0 GEAERN CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1noc3c1CCCC3)CC2 ZINC000095519089 208216719 /nfs/dbraw/zinc/21/67/19/208216719.db2.gz RAQDHIROSCRXAN-UHFFFAOYSA-N 0 0 397.479 2.203 10 0 GEAERN O=C(NCCc1csc([C@@H]2CCCN(C(=O)[C@@H]3CCOC3)C2)n1)C1CCC1 ZINC000096373239 208309733 /nfs/dbraw/zinc/30/97/33/208309733.db2.gz QPHUQVAGRPVHPW-HZPDHXFCSA-N 0 0 391.537 2.344 10 0 GEAERN O=C(COc1ccccc1)N1C[C@H](C(=O)NC2CCCC2)C2(C1)CCOCC2 ZINC000096310226 209014290 /nfs/dbraw/zinc/01/42/90/209014290.db2.gz SEDUHSVCGLSCCW-LJQANCHMSA-N 0 0 386.492 2.379 10 0 GEAERN O=C(Cn1c(=O)oc2ccccc21)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 ZINC000244873612 209024560 /nfs/dbraw/zinc/02/45/60/209024560.db2.gz WSYXSOHCQZVXRY-VWKPWSFCSA-N 0 0 394.427 2.158 10 0 GEAERN O=C(NCc1ccco1)C1CCN(c2ccc(=O)n(-c3cccc(F)c3)n2)CC1 ZINC000064927581 136158181 /nfs/dbraw/zinc/15/81/81/136158181.db2.gz ZFYXCRVRRSTCON-UHFFFAOYSA-N 0 0 396.422 2.497 10 0 GEAERN CCCN1CCn2cc(C(=O)N3CCN(c4cccc(OC)c4)CC3)nc2C1 ZINC000065229978 136160540 /nfs/dbraw/zinc/16/05/40/136160540.db2.gz DZHQYSHAKFHOGT-UHFFFAOYSA-N 0 0 383.496 2.080 10 0 GEAERN FC(F)(F)Oc1cccc(CN2CCN(c3cnn4cnnc4c3)CC2)c1 ZINC000065282476 136162425 /nfs/dbraw/zinc/16/24/25/136162425.db2.gz HSCIWZAWTAZQFP-UHFFFAOYSA-N 0 0 378.358 2.345 10 0 GEAERN O=C(c1ccc2c(c1)OCO2)N1CCN=C1N1CCN(c2ccccc2F)CC1 ZINC000065306436 136162970 /nfs/dbraw/zinc/16/29/70/136162970.db2.gz GPSJGAZWZZHUOW-UHFFFAOYSA-N 0 0 396.422 2.188 10 0 GEAERN COc1ccc(CNc2nc(N3CCN(CCO)CC3)nc3ccccc32)cc1 ZINC000072260771 136167819 /nfs/dbraw/zinc/16/78/19/136167819.db2.gz MTUMMXZBZVMOPY-UHFFFAOYSA-N 0 0 393.491 2.365 10 0 GEAERN Nc1nc(NC2CC2)cc(N2CCC(c3cc(N4CCCC4)ncn3)CC2)n1 ZINC000072478400 136171396 /nfs/dbraw/zinc/17/13/96/136171396.db2.gz WPFSMLXREYNGGK-UHFFFAOYSA-N 0 0 380.500 2.407 10 0 GEAERN COc1ccc(NC(=O)c2cccc3c2O[C@@H](C)[C@@H]3C)cc1S(N)(=O)=O ZINC000012741529 519096732 /nfs/dbraw/zinc/09/67/32/519096732.db2.gz ZPNMLPMVLITALY-QWRGUYRKSA-N 0 0 376.434 2.479 10 0 GEAERN CNc1nccc(N2CCC(CC(=O)NCc3cc(OC)cc(OC)c3)CC2)n1 ZINC000065282153 522704174 /nfs/dbraw/zinc/70/41/74/522704174.db2.gz ABODEULZVXAMKI-UHFFFAOYSA-N 0 0 399.495 2.458 10 0 GEAERN COCc1nc(-c2ccc(OCc3nc(C(=O)OC)co3)c(OC)c2)no1 ZINC000034680421 570299444 /nfs/dbraw/zinc/29/94/44/570299444.db2.gz ALDLKVQMCYIDHU-UHFFFAOYSA-N 0 0 375.337 2.245 10 0 GEAERN COC[C@@H](O)CN(CCC(C)C)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000036160014 570555323 /nfs/dbraw/zinc/55/53/23/570555323.db2.gz XCTFUFAYDPKSQY-ZDUSSCGKSA-N 0 0 379.526 2.329 10 0 GEAERN COCCN(Cc1nc2sc(C)c(C)c2c(=O)[nH]1)C[C@@H](O)COCC(C)C ZINC000036204436 570569066 /nfs/dbraw/zinc/56/90/66/570569066.db2.gz ZVWARKSYBLAPFU-OAHLLOKOSA-N 0 0 397.541 2.083 10 0 GEAERN COCCNC(=O)[C@H]1Cc2ccccc2N2CCN(c3cccc(OC)c3)C[C@@H]12 ZINC000169680057 570600020 /nfs/dbraw/zinc/60/00/20/570600020.db2.gz ZBSAXYAYSYKTKH-UNMCSNQZSA-N 0 0 395.503 2.325 10 0 GEAERN Cc1nn(C)c(N2CCOCC2)c1CN(Cc1ccccn1)C[C@H]1CCCO1 ZINC000055109145 570683476 /nfs/dbraw/zinc/68/34/76/570683476.db2.gz DSKKVEPTJCQJCE-LJQANCHMSA-N 0 0 385.512 2.141 10 0 GEAERN COc1ccc2c(c1)[C@]1(CCN(S(=O)(=O)c3ccc(F)cc3F)C1)C(=O)N2 ZINC000065249017 570748164 /nfs/dbraw/zinc/74/81/64/570748164.db2.gz ZNPVHGMSXPHEAH-GOSISDBHSA-N 0 0 394.399 2.258 10 0 GEAERN COCCNC(=O)C1CCN(c2nc3ccc(-c4cncnc4)nc3s2)CC1 ZINC000065272128 570777837 /nfs/dbraw/zinc/77/78/37/570777837.db2.gz VEZGCAHEKJJDJH-UHFFFAOYSA-N 0 0 398.492 2.127 10 0 GEAERN CCCNC(=O)[C@H]1CCc2nc(N3CCN(C(=O)C4CCC4)CC3)sc2C1 ZINC000065273695 570779670 /nfs/dbraw/zinc/77/96/70/570779670.db2.gz GDKINAICXQVEIJ-HNNXBMFYSA-N 0 0 390.553 2.223 10 0 GEAERN CC[C@@]1(C(=O)[O-])C[C@H](C(=O)N2CCCOCC2)[C@H](c2ccc(OC)cc2)[N@@H+]1C ZINC000067817233 570792470 /nfs/dbraw/zinc/79/24/70/570792470.db2.gz IHIVKZVTYKUIMP-WFXMLNOXSA-N 0 0 390.480 2.170 10 0 GEAERN COC1(c2nc(-c3cnccn3)no2)CCN(Cc2nc(C(C)(C)C)no2)CC1 ZINC000583615953 570801606 /nfs/dbraw/zinc/80/16/06/570801606.db2.gz WAIVSAWZWFWRCO-UHFFFAOYSA-N 0 0 399.455 2.345 10 0 GEAERN Nc1cc(C(=O)N[C@H]2CC[C@H](Nc3nccc(-c4ccncc4)n3)C2)ccn1 ZINC000072144229 570870537 /nfs/dbraw/zinc/87/05/37/570870537.db2.gz VSAAGANPFMKKLD-HOTGVXAUSA-N 0 0 375.436 2.279 10 0 GEAERN C[C@@H](NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)c1ccccc1Br ZINC000025742593 642427275 /nfs/dbraw/zinc/42/72/75/642427275.db2.gz QOKIRIISHBGFHU-RISCZKNCSA-N 0 0 389.315 2.440 10 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/nfs/dbraw/zinc/05/72/65/643057265.db2.gz HFWLEMVAGRWSMH-VIFPVBQESA-N 0 0 376.829 2.193 10 0 GEAERN O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CC[C@@H](Oc2cccnc2)C1 ZINC000093925471 643084556 /nfs/dbraw/zinc/08/45/56/643084556.db2.gz PWWCZRQRSHCZMW-GFCCVEGCSA-N 0 0 378.841 2.453 10 0 GEAERN CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H](C)C(C)C ZINC000097663621 643097782 /nfs/dbraw/zinc/09/77/82/643097782.db2.gz AJYSDYBAJJXGOG-TZMCWYRMSA-N 0 0 376.519 2.386 10 0 GEAERN COC[C@H](C)C(=O)Nc1cc(Br)ccc1Sc1nnnn1C ZINC000103388871 643163634 /nfs/dbraw/zinc/16/36/34/643163634.db2.gz GPJIJZRLXVGDMR-QMMMGPOBSA-N 0 0 386.275 2.345 10 0 GEAERN C[C@@H](NC(=O)c1cc(S(C)(=O)=O)ccc1Br)[C@@H]1CCCO1 ZINC000103374003 643163773 /nfs/dbraw/zinc/16/37/73/643163773.db2.gz RMUJXOGQGHMLTH-RNCFNFMXSA-N 0 0 376.272 2.150 10 0 GEAERN C[C@H](NC(=O)c1cc(S(C)(=O)=O)ccc1Br)[C@@H]1CCCO1 ZINC000103374002 643163879 /nfs/dbraw/zinc/16/38/79/643163879.db2.gz RMUJXOGQGHMLTH-ZANVPECISA-N 0 0 376.272 2.150 10 0 GEAERN Cc1c(C(=O)NC[C@H]2CN(C)CCO2)cnn1-c1cccc(Br)c1 ZINC000106020368 643217548 /nfs/dbraw/zinc/21/75/48/643217548.db2.gz QFUMQOSJZSTRHP-HNNXBMFYSA-N 0 0 393.285 2.004 10 0 GEAERN CN(Cc1ccc(Cl)s1)C(=O)CN1CCCN(c2cccnn2)CC1 ZINC000106070532 643219858 /nfs/dbraw/zinc/21/98/58/643219858.db2.gz QJGYAACWKITRDW-UHFFFAOYSA-N 0 0 379.917 2.362 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000106396204 643230264 /nfs/dbraw/zinc/23/02/64/643230264.db2.gz OHNGCPSBWAXOCS-GVDBMIGSSA-N 0 0 381.314 2.468 10 0 GEAERN C[C@@H](CNC(=O)N(C)CCc1ccc(Br)cc1)N1CCOCC1 ZINC000106529829 643232958 /nfs/dbraw/zinc/23/29/58/643232958.db2.gz CWKZQVINKWWWDZ-AWEZNQCLSA-N 0 0 384.318 2.354 10 0 GEAERN CC(C)n1ccnc1CS(=O)(=O)CCC(=O)N1CCc2sccc2C1 ZINC000107075487 643249359 /nfs/dbraw/zinc/24/93/59/643249359.db2.gz FMLGLWSGKZUEQU-UHFFFAOYSA-N 0 0 381.523 2.415 10 0 GEAERN CC(C)[C@H](C)NC(=O)C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000108604257 643278625 /nfs/dbraw/zinc/27/86/25/643278625.db2.gz 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/nfs/dbraw/zinc/35/30/34/643353034.db2.gz DOCOMGQHGRXAJL-LLVKDONJSA-N 0 0 384.531 2.354 10 0 GEAERN COC(=O)C[C@H](NC(=O)NCC1(C)COC1)c1cccc(Br)c1 ZINC000112745686 643372580 /nfs/dbraw/zinc/37/25/80/643372580.db2.gz VKUCETGSDAGPKV-ZDUSSCGKSA-N 0 0 385.258 2.389 10 0 GEAERN CCc1csc([C@@H]2CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)n1 ZINC000113201853 643385198 /nfs/dbraw/zinc/38/51/98/643385198.db2.gz OIXFFGIEVRGKJS-CQSZACIVSA-N 0 0 385.555 2.083 10 0 GEAERN Cn1cc(CN2CCCN(S(=O)(=O)c3cc(F)ccc3Cl)CC2)cn1 ZINC000115581297 643442125 /nfs/dbraw/zinc/44/21/25/643442125.db2.gz FHMARFXQLOZAOS-UHFFFAOYSA-N 0 0 386.880 2.109 10 0 GEAERN Cn1cc([C@H]2CCN(C(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)C2)cn1 ZINC000116227966 643455092 /nfs/dbraw/zinc/45/50/92/643455092.db2.gz FRBDDKUAAKFZKP-LBPRGKRZSA-N 0 0 381.263 2.473 10 0 GEAERN Cn1cc([C@H]2CCN(S(=O)(=O)c3cc4c(cc3Cl)OCCO4)C2)cn1 ZINC000116370626 643461058 /nfs/dbraw/zinc/46/10/58/643461058.db2.gz ATXXXLYXVKYQCX-NSHDSACASA-N 0 0 383.857 2.023 10 0 GEAERN Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116586934 643465606 /nfs/dbraw/zinc/46/56/06/643465606.db2.gz DRVAGLSHJJNORF-LBPRGKRZSA-N 0 0 391.269 2.446 10 0 GEAERN CCOCCN1CCN(C(=O)c2cc(Br)cnc2N(C)C)C[C@H]1C ZINC000117277885 643485730 /nfs/dbraw/zinc/48/57/30/643485730.db2.gz FFDBWPHODBOUOH-CYBMUJFWSA-N 0 0 399.333 2.093 10 0 GEAERN CCOCCN1CCN(C(=O)c2[nH]nc(C(C)C)c2Br)C[C@@H]1C ZINC000117282640 643485880 /nfs/dbraw/zinc/48/58/80/643485880.db2.gz NBHXUSAVZVASCW-LBPRGKRZSA-N 0 0 387.322 2.478 10 0 GEAERN COCCN1CCN(C(=O)c2ccccc2I)C[C@@H]1C ZINC000117286558 643486338 /nfs/dbraw/zinc/48/63/38/643486338.db2.gz KSLWVELDCFAJQP-LBPRGKRZSA-N 0 0 388.249 2.084 10 0 GEAERN COCCN1CCN(S(=O)(=O)c2ccc(Br)c(C)c2)C[C@H]1C ZINC000117369914 643490082 /nfs/dbraw/zinc/49/00/82/643490082.db2.gz PRMJFTJPRGFHBQ-CYBMUJFWSA-N 0 0 391.331 2.099 10 0 GEAERN CC[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2)CCN1CCOC ZINC000117371971 643490109 /nfs/dbraw/zinc/49/01/09/643490109.db2.gz VKBVINVDBYSGMA-CQSZACIVSA-N 0 0 391.331 2.180 10 0 GEAERN C[C@@H](NC(=O)NC[C@H]1CCCN1S(C)(=O)=O)c1ccc(F)c(Cl)c1 ZINC000119086092 643534189 /nfs/dbraw/zinc/53/41/89/643534189.db2.gz RYELEJATOGGAGJ-ZYHUDNBSSA-N 0 0 377.869 2.263 10 0 GEAERN O=C(NCCNS(=O)(=O)c1cccs1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000119861722 643576146 /nfs/dbraw/zinc/57/61/46/643576146.db2.gz YHNGVFHNPFMYSF-QWRGUYRKSA-N 0 0 399.460 2.447 10 0 GEAERN CN(Cc1ccc(Br)o1)C(=O)[C@@H](Cc1ccccc1)NC(N)=O ZINC000121789380 643640609 /nfs/dbraw/zinc/64/06/09/643640609.db2.gz XVMJBQYXNGTGAZ-CYBMUJFWSA-N 0 0 380.242 2.280 10 0 GEAERN C[C@@H](NC(=O)CN(C)c1ncnc2nc[nH]c21)c1cccc(Br)c1 ZINC000125209644 643703474 /nfs/dbraw/zinc/70/34/74/643703474.db2.gz GKWILFBFCHYKIS-SNVBAGLBSA-N 0 0 389.257 2.429 10 0 GEAERN COCCn1cc(NC(=O)C(=O)N[C@@H](C)c2cccc(Br)c2)cn1 ZINC000125309067 643705859 /nfs/dbraw/zinc/70/58/59/643705859.db2.gz DUKSYOYULHUIOH-NSHDSACASA-N 0 0 395.257 2.108 10 0 GEAERN COCCN1CCN(C(=O)NCc2ccc(O)c(Br)c2)C[C@@H]1C ZINC000126253022 643726305 /nfs/dbraw/zinc/72/63/05/643726305.db2.gz JRDIBRILDRPOKH-LBPRGKRZSA-N 0 0 386.290 2.017 10 0 GEAERN NS(=O)(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)cs1 ZINC000128978494 643816256 /nfs/dbraw/zinc/81/62/56/643816256.db2.gz ICBRRNYMLFCTQK-NSHDSACASA-N 0 0 378.397 2.299 10 0 GEAERN O=C(N[C@H]1CCCC[C@H]1CO)C(=O)N1CCc2ccc(Br)cc21 ZINC000130642493 643846171 /nfs/dbraw/zinc/84/61/71/643846171.db2.gz BFEAFTWUNGTCDF-JSGCOSHPSA-N 0 0 381.270 2.006 10 0 GEAERN CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000130645552 643846846 /nfs/dbraw/zinc/84/68/46/643846846.db2.gz LMVWIXCRFLACQG-YPMHNXCESA-N 0 0 399.285 2.454 10 0 GEAERN C[C@@H]1COC[C@H](C)N1C(=O)COc1ccc(I)cc1 ZINC000130948097 643856612 /nfs/dbraw/zinc/85/66/12/643856612.db2.gz KJZAXMOBPYCLER-PHIMTYICSA-N 0 0 375.206 2.306 10 0 GEAERN C[C@@H]1COC[C@@H](C)N1C(=O)COc1ccc(I)cc1 ZINC000130948554 643856697 /nfs/dbraw/zinc/85/66/97/643856697.db2.gz KJZAXMOBPYCLER-GHMZBOCLSA-N 0 0 375.206 2.306 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1csc(-c2ccco2)n1 ZINC000131669099 643875824 /nfs/dbraw/zinc/87/58/24/643875824.db2.gz FJBIXMCPVIIFKL-CYBMUJFWSA-N 0 0 383.495 2.224 10 0 GEAERN Cn1cnc(S(=O)(=O)N[C@@H](C(=O)OC(C)(C)C)c2ccccc2)c1Cl ZINC000152154995 643965010 /nfs/dbraw/zinc/96/50/10/643965010.db2.gz FSFVNTQLISEVIP-GFCCVEGCSA-N 0 0 385.873 2.435 10 0 GEAERN CCc1nnc([C@H]2CN(C(=O)Cc3cc(F)ccc3Br)CCO2)[nH]1 ZINC000153226414 643981913 /nfs/dbraw/zinc/98/19/13/643981913.db2.gz LQSBNCAERFJESX-CYBMUJFWSA-N 0 0 397.248 2.411 10 0 GEAERN O=S(=O)(c1ccc(Br)cc1F)N1CCN2CCCC[C@@H]2C1 ZINC000154515780 644048023 /nfs/dbraw/zinc/04/80/23/644048023.db2.gz FXGZKMIHMGQVIL-GFCCVEGCSA-N 0 0 377.279 2.447 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Oc1ccc(C)nc1Br ZINC000155404765 644070906 /nfs/dbraw/zinc/07/09/06/644070906.db2.gz SUXLZNCOCGTEKO-NSHDSACASA-N 0 0 391.287 2.262 10 0 GEAERN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000155589958 644076019 /nfs/dbraw/zinc/07/60/19/644076019.db2.gz CMUMHBHZDRWJNU-RISCZKNCSA-N 0 0 378.416 2.439 10 0 GEAERN COc1cc(NC(=O)C(=O)N[C@@H](C)c2cccc(Br)c2)ncn1 ZINC000156910419 644123805 /nfs/dbraw/zinc/12/38/05/644123805.db2.gz MGUCZSFAKXMJJA-VIFPVBQESA-N 0 0 379.214 2.064 10 0 GEAERN COC(=O)[C@H]1C[C@@H]1C(=O)OCc1cccc(F)c1I ZINC000159784218 644194308 /nfs/dbraw/zinc/19/43/08/644194308.db2.gz KSNSGVSJPWXERY-IUCAKERBSA-N 0 0 378.137 2.283 10 0 GEAERN COCc1c(Br)cccc1NC(=O)C(=O)N1CCS[C@@H](C)C1 ZINC000171469490 644323924 /nfs/dbraw/zinc/32/39/24/644323924.db2.gz KYXMGPXEEILGNJ-JTQLQIEISA-N 0 0 387.299 2.498 10 0 GEAERN O=C(NCCSC(F)(F)F)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000172124690 644337499 /nfs/dbraw/zinc/33/74/99/644337499.db2.gz RNWUNLKZIJQWBS-AWEZNQCLSA-N 0 0 377.432 2.300 10 0 GEAERN C[C@@H](NS(=O)(=O)CCS(C)(=O)=O)c1c(Cl)ccc(F)c1Cl ZINC000173051365 644348893 /nfs/dbraw/zinc/34/88/93/644348893.db2.gz YLWQNGRWMHREJV-SSDOTTSWSA-N 0 0 378.274 2.158 10 0 GEAERN C[C@H]1CN(C(=O)c2ccc3ncc(I)n3c2)C[C@H](C)O1 ZINC000175672683 644393075 /nfs/dbraw/zinc/39/30/75/644393075.db2.gz AXYPUUQWARHQLS-UWVGGRQHSA-N 0 0 385.205 2.188 10 0 GEAERN COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000177553840 644417782 /nfs/dbraw/zinc/41/77/82/644417782.db2.gz PHZFZWKTQAHKTQ-WCQYABFASA-N 0 0 399.285 2.372 10 0 GEAERN C[C@H](NC(=O)C[C@H](O)c1ccc(Cl)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000179609397 644465628 /nfs/dbraw/zinc/46/56/28/644465628.db2.gz PAFDVVQSKXYCJO-ZBEGNZNMSA-N 0 0 382.869 2.288 10 0 GEAERN CC(C)c1nnc2n1C[C@@H](NS(=O)(=O)c1ccc(Cl)nc1Cl)CC2 ZINC000181727960 644945313 /nfs/dbraw/zinc/94/53/13/644945313.db2.gz RWOKNYISYCHJNH-VIFPVBQESA-N 0 0 390.296 2.397 10 0 GEAERN C#CCCOC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000183527301 644996831 /nfs/dbraw/zinc/99/68/31/644996831.db2.gz XXNLKNHMUHCNBN-MRXNPFEDSA-N 0 0 375.471 2.430 10 0 GEAERN CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000185153329 645037040 /nfs/dbraw/zinc/03/70/40/645037040.db2.gz AAGUPIVNGKYGOU-GHMZBOCLSA-N 0 0 390.864 2.425 10 0 GEAERN C[C@H](NC(=O)Nc1cccc(Br)n1)c1ccc(S(N)(=O)=O)cc1 ZINC000188583189 645120310 /nfs/dbraw/zinc/12/03/10/645120310.db2.gz MPCWUDWVRYMPDB-VIFPVBQESA-N 0 0 399.270 2.374 10 0 GEAERN C[C@H](NC(=O)c1ncc(Br)s1)c1ccc(S(N)(=O)=O)cc1 ZINC000192406921 645203365 /nfs/dbraw/zinc/20/33/65/645203365.db2.gz RHMGLTMKYKQSSX-ZETCQYMHSA-N 0 0 390.284 2.044 10 0 GEAERN CN(Cc1nccn1C(F)F)S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000192495868 645209983 /nfs/dbraw/zinc/20/99/83/645209983.db2.gz WBEZFALKWFVCNQ-ZBEGNZNMSA-N 0 0 375.441 2.435 10 0 GEAERN Cc1ncc(CN2CCN(CCS(=O)(=O)c3ccc(F)cc3)CC2)s1 ZINC000192574592 645211942 /nfs/dbraw/zinc/21/19/42/645211942.db2.gz LKYIELOZZBJJAR-UHFFFAOYSA-N 0 0 383.514 2.182 10 0 GEAERN C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1F)c1ccc(S(N)(=O)=O)cc1 ZINC000192842430 645224735 /nfs/dbraw/zinc/22/47/35/645224735.db2.gz JKRMURNCLNJGIB-SNVBAGLBSA-N 0 0 385.848 2.416 10 0 GEAERN Cc1cc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)ncc1Br ZINC000193576891 645285968 /nfs/dbraw/zinc/28/59/68/645285968.db2.gz NZDITSYNDDOHIU-SJCJKPOMSA-N 0 0 396.285 2.245 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000193584636 645286393 /nfs/dbraw/zinc/28/63/93/645286393.db2.gz DBYUIKPTBIUZGO-JSGCOSHPSA-N 0 0 377.242 2.304 10 0 GEAERN C[C@H](OC(=O)C1CCN(S(N)(=O)=O)CC1)c1ccccc1C(F)(F)F ZINC000193675630 645291365 /nfs/dbraw/zinc/29/13/65/645291365.db2.gz KMHFVRDVRNSVIH-JTQLQIEISA-N 0 0 380.388 2.225 10 0 GEAERN Cc1csc([C@@H]2CN(C(=O)NCCCN(C)CC(F)(F)F)CCO2)n1 ZINC000194074378 645311377 /nfs/dbraw/zinc/31/13/77/645311377.db2.gz TYNJCVVKPGDYHZ-LBPRGKRZSA-N 0 0 380.436 2.419 10 0 GEAERN Cc1nc(NC(=O)[C@H](C)NC(=O)c2ccco2)ccc1I ZINC000194535596 645331815 /nfs/dbraw/zinc/33/18/15/645331815.db2.gz KHRYJRZHHABXKV-VIFPVBQESA-N 0 0 399.188 2.345 10 0 GEAERN O=C(N[C@@H]1COc2ccccc21)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000194642581 645339486 /nfs/dbraw/zinc/33/94/86/645339486.db2.gz PQIKZKGJFQUQLR-ZIAGYGMSSA-N 0 0 378.475 2.151 10 0 GEAERN O=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCN2CCCC[C@H]2C1 ZINC000195063767 645356474 /nfs/dbraw/zinc/35/64/74/645356474.db2.gz SBLUPCFDRGZQRR-ZDUSSCGKSA-N 0 0 376.400 2.290 10 0 GEAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(Br)c(F)c1 ZINC000195276514 645368199 /nfs/dbraw/zinc/36/81/99/645368199.db2.gz RDMQMRNAJNBDKM-HNNXBMFYSA-N 0 0 394.244 2.484 10 0 GEAERN C[C@@H]1CN(C(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)C[C@@H](C)O1 ZINC000195330487 645371644 /nfs/dbraw/zinc/37/16/44/645371644.db2.gz ODAZGBZEZSSEAX-RKDXNWHRSA-N 0 0 394.262 2.241 10 0 GEAERN CCn1ncc(Br)c1C(=O)NCCCc1nnc2ccccn21 ZINC000222439512 645385677 /nfs/dbraw/zinc/38/56/77/645385677.db2.gz KNNMUWHZICKXHQ-UHFFFAOYSA-N 0 0 377.246 2.071 10 0 GEAERN C[C@@H]1CN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@@H](C)O1 ZINC000226825703 645391670 /nfs/dbraw/zinc/39/16/70/645391670.db2.gz ZOOJUDOFVOZIEB-LALPHHSUSA-N 0 0 381.270 2.438 10 0 GEAERN C[C@@H]1CN(Cc2cc(Br)c3c(c2)OCCO3)C[C@H]1N1CCOCC1 ZINC000245752337 645467813 /nfs/dbraw/zinc/46/78/13/645467813.db2.gz OARLIYDHWBIPEB-CZUORRHYSA-N 0 0 397.313 2.373 10 0 GEAERN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 ZINC000246783062 645494536 /nfs/dbraw/zinc/49/45/36/645494536.db2.gz CMUMHBHZDRWJNU-BXUZGUMPSA-N 0 0 378.416 2.439 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H](C)Oc1ccc(Cl)cc1 ZINC000246806159 645495371 /nfs/dbraw/zinc/49/53/71/645495371.db2.gz AZIQROIYZHWZSF-BBRMVZONSA-N 0 0 388.917 2.428 10 0 GEAERN C[C@H]1CN([C@H](CNC(=O)c2cc(C(N)=O)cs2)c2cccs2)CCO1 ZINC000246821714 645495910 /nfs/dbraw/zinc/49/59/10/645495910.db2.gz KQLWNGLVDSGKAF-WCQYABFASA-N 0 0 379.507 2.100 10 0 GEAERN C[C@H](Oc1ccccc1Br)C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246941997 645499058 /nfs/dbraw/zinc/49/90/58/645499058.db2.gz KAGSRDSJHTUGCK-DZKIICNBSA-N 0 0 397.313 2.396 10 0 GEAERN CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)CCN1C[C@H](C)O ZINC000247098181 645504441 /nfs/dbraw/zinc/50/44/41/645504441.db2.gz QEJAAICHRMFDKJ-AAEUAGOBSA-N 0 0 388.295 2.236 10 0 GEAERN C[C@H](Oc1cccc(Br)c1)C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000247153782 645506501 /nfs/dbraw/zinc/50/65/01/645506501.db2.gz QBDJUGZMIDZFAU-KEYYUXOJSA-N 0 0 397.313 2.396 10 0 GEAERN COCCN1CCN([C@H](C)C(=O)Nc2ccc(Br)cc2)C[C@H]1C ZINC000247561725 645514183 /nfs/dbraw/zinc/51/41/83/645514183.db2.gz GDHYGHMJUCOJIB-ZIAGYGMSSA-N 0 0 384.318 2.429 10 0 GEAERN CCOCCN1CCN([C@@H](C(N)=O)c2ccc(Br)cc2)C[C@@H]1C ZINC000247806254 645519031 /nfs/dbraw/zinc/51/90/31/645519031.db2.gz STCYVLHUMJNLNH-XJKSGUPXSA-N 0 0 384.318 2.018 10 0 GEAERN CCn1cc([C@H]2CN([C@@H](C(N)=O)c3ccc(Br)cc3)CCO2)cn1 ZINC000248720939 645534843 /nfs/dbraw/zinc/53/48/43/645534843.db2.gz LVOSUWGRMZVFNV-HZPDHXFCSA-N 0 0 393.285 2.265 10 0 GEAERN C[C@H](O)CN1CCN(C(=O)c2cc(Br)ncc2Cl)C[C@H]1C ZINC000253202201 645568868 /nfs/dbraw/zinc/56/88/68/645568868.db2.gz BMFIFDBLIZFQQG-ZJUUUORDSA-N 0 0 376.682 2.025 10 0 GEAERN CN(C)S(=O)(=O)c1ccc(F)c(NS(=O)(=O)/C=C\c2ccccc2)c1 ZINC000255296702 645578320 /nfs/dbraw/zinc/57/83/20/645578320.db2.gz QBWFYQRJMFUZDV-KHPPLWFESA-N 0 0 384.454 2.489 10 0 GEAERN C[C@H](CNS(=O)(=O)/C=C\c1cccc(Br)c1)N1CCOCC1 ZINC000255840119 645585828 /nfs/dbraw/zinc/58/58/28/645585828.db2.gz BCTPQNRYBBTZDR-OMPYUXFZSA-N 0 0 389.315 2.060 10 0 GEAERN CSc1ccccc1S(=O)(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263515088 645668069 /nfs/dbraw/zinc/66/80/69/645668069.db2.gz ZJKBIOOSMBOHCB-UHFFFAOYSA-N 0 0 384.523 2.014 10 0 GEAERN O=[S@@](CCN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)c1cc(Cl)ccc1Cl ZINC000329174286 647319108 /nfs/dbraw/zinc/31/91/08/647319108.db2.gz LRJWQBDOIWURRP-TUAQGKDASA-N 0 0 382.334 2.220 10 0 GEAERN C[C@@H](NS(=O)(=O)c1ccc(Br)cc1Cl)c1cn(C)nn1 ZINC000720524129 651476360 /nfs/dbraw/zinc/47/63/60/651476360.db2.gz ONIADCXWUKBENB-SSDOTTSWSA-N 0 0 379.667 2.271 10 0 GEAERN COC(=O)[C@H]1CN(C(=O)c2cccc(F)c2I)C[C@@H]1C ZINC000721715281 651477257 /nfs/dbraw/zinc/47/72/57/651477257.db2.gz WJYCMKCUXUHSFK-WPRPVWTQSA-N 0 0 391.180 2.311 10 0 GEAERN CN(Cc1nccs1)[C@H]1CC12CCN(S(=O)(=O)c1ccccn1)CC2 ZINC000582074854 652434533 /nfs/dbraw/zinc/43/45/33/652434533.db2.gz VZWVDRSBDGHRKZ-AWEZNQCLSA-N 0 0 378.523 2.213 10 0 GEAERN O=C(N[C@H]1CCOC[C@@H]1O)c1scc(Br)c1Br ZINC000629240282 652481833 /nfs/dbraw/zinc/48/18/33/652481833.db2.gz QEUQJRYCJNLDEM-BQBZGAKWSA-N 0 0 385.077 2.153 10 0 GEAERN CN1C[C@H](C[NH2+]Cc2cc(Br)c([O-])c(Br)c2)CC1=O ZINC000668617070 652653063 /nfs/dbraw/zinc/65/30/63/652653063.db2.gz VRVKQDOCYWIZCB-VIFPVBQESA-N 0 0 392.091 2.485 10 0 GEAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cc(Cl)ncc2Cl)C1 ZINC000702798060 653320314 /nfs/dbraw/zinc/32/03/14/653320314.db2.gz RPBHZZAZJGVXHF-JOYOIKCWSA-N 0 0 390.267 2.346 10 0 GEAERN CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2cccc(Br)c2)[C@H](O)C1 ZINC000705653620 653321903 /nfs/dbraw/zinc/32/19/03/653321903.db2.gz AALAMXQSSQGLLX-TZMCWYRMSA-N 0 0 399.285 2.407 10 0 GEAERN CCc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)/C=C\c2ccccc2Cl)n1 ZINC000886051571 653965945 /nfs/dbraw/zinc/96/59/45/653965945.db2.gz GKZPRVZVQNSVOM-SMFNXNMFSA-N 0 0 383.857 2.394 10 0 GEAERN COc1cc(C)nc(N2CCN(C(=O)c3ccnc(Cl)c3Cl)CC2)n1 ZINC000900594304 654071413 /nfs/dbraw/zinc/07/14/13/654071413.db2.gz MOMUZAQPLBVBHZ-UHFFFAOYSA-N 0 0 382.251 2.458 10 0 GEAERN Cc1nc([C@@H]2CCCN2C(=O)c2cc3ncc(Br)cn3n2)no1 ZINC000900867813 654084933 /nfs/dbraw/zinc/08/49/33/654084933.db2.gz OGKAKKPMIFGHFT-NSHDSACASA-N 0 0 377.202 2.161 10 0 GEAERN CCOC(=O)c1ncc(Br)c(N2CC[C@@H](Oc3cccnc3)C2)n1 ZINC000892928173 654370672 /nfs/dbraw/zinc/37/06/72/654370672.db2.gz BCTYMKURWUTFRD-GFCCVEGCSA-N 0 0 393.241 2.469 10 0 GEAERN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)C1 ZINC000015905817 210179334 /nfs/dbraw/zinc/17/93/34/210179334.db2.gz WFQZAUSAZAKPQI-BRWVUGGUSA-N 0 0 385.574 2.370 10 0 GEAERN O=C(c1cn(C[C@@H]2COc3ccccc3O2)nn1)N1CCc2sccc2C1 ZINC000014972642 210136184 /nfs/dbraw/zinc/13/61/84/210136184.db2.gz FKEVRUBUACXOPC-CQSZACIVSA-N 0 0 382.445 2.378 10 0 GEAERN O=C(C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl)NCc1ccccc1 ZINC000013637110 210074032 /nfs/dbraw/zinc/07/40/32/210074032.db2.gz QJUVVHMMJITMSD-SFHVURJKSA-N 0 0 389.858 2.486 10 0 GEAERN CCN(C[C@H]1CCCO1)C(=O)CCc1nnc(Cc2ccc3c(c2)OCO3)o1 ZINC000013637162 210074074 /nfs/dbraw/zinc/07/40/74/210074074.db2.gz GWLULXVESFLKKN-OAHLLOKOSA-N 0 0 387.436 2.349 10 0 GEAERN COc1ccc(CCN2C[C@@H](C(=O)NCc3nc(C)cc(C)n3)CCC2=O)cc1 ZINC000012432791 209955740 /nfs/dbraw/zinc/95/57/40/209955740.db2.gz ULQFRHKFCCZHRZ-SFHVURJKSA-N 0 0 396.491 2.200 10 0 GEAERN COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)N[C@@H](C)c1ccccc1 ZINC000012200609 209919043 /nfs/dbraw/zinc/91/90/43/209919043.db2.gz HAAUWKSXTOHEHB-ZDUSSCGKSA-N 0 0 388.445 2.388 10 0 GEAERN Cn1cc(C[N@@H+]2CCCN(C[C@H](O)c3ccccc3Br)CC2)cn1 ZINC000152949007 531579872 /nfs/dbraw/zinc/57/98/72/531579872.db2.gz WCOZGFXVAKNYPS-SFHVURJKSA-N 0 0 393.329 2.424 10 0 GEAERN COCCCS(=O)(=O)NCC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000152994321 531581567 /nfs/dbraw/zinc/58/15/67/531581567.db2.gz PCMUJJXIWKZRNV-JTQLQIEISA-N 0 0 383.297 2.127 10 0 GEAERN Cn1cc(Br)cc(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1=O ZINC000153036790 531583737 /nfs/dbraw/zinc/58/37/37/531583737.db2.gz NQCIXCOTLQPZTH-MEDUHNTESA-N 0 0 384.274 2.307 10 0 GEAERN CN1CCO[C@H]2CN(c3cnn(-c4ccc(Cl)cc4)c(=O)c3Cl)C[C@@H]21 ZINC000153186833 531591150 /nfs/dbraw/zinc/59/11/50/531591150.db2.gz BXKIMVQYAIRNTH-GJZGRUSLSA-N 0 0 381.263 2.059 10 0 GEAERN C[C@H]1CN(C(=O)Cc2cc(F)ccc2Br)C[C@H]1N1CCOCC1 ZINC000153265428 531594284 /nfs/dbraw/zinc/59/42/84/531594284.db2.gz DVTMHLXEWBIIAE-BLLLJJGKSA-N 0 0 385.277 2.310 10 0 GEAERN CC(C)[C@@H](C)NC(=O)CCNS(=O)(=O)c1cccc(Br)c1 ZINC000025976724 531615381 /nfs/dbraw/zinc/61/53/81/531615381.db2.gz DXNNHVFHGIRQDX-LLVKDONJSA-N 0 0 377.304 2.278 10 0 GEAERN COCCn1nc(C(=O)N[C@H](C)c2cccc(Br)c2)ccc1=O ZINC000030465535 531637445 /nfs/dbraw/zinc/63/74/45/531637445.db2.gz WPKRVCPBFUCKGD-LLVKDONJSA-N 0 0 380.242 2.143 10 0 GEAERN CCCC(=O)N[C@H]1CCCN([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000155889282 531703863 /nfs/dbraw/zinc/70/38/63/531703863.db2.gz LGDHPPMHAOIQPF-HOCLYGCPSA-N 0 0 382.302 2.356 10 0 GEAERN Cn1nccc1C1CCN(C(=O)Nc2cc(Br)c(=O)n(C)c2)CC1 ZINC000156230177 531722992 /nfs/dbraw/zinc/72/29/92/531722992.db2.gz VJBWFPAMIYVVJT-UHFFFAOYSA-N 0 0 394.273 2.293 10 0 GEAERN CCOc1cc(Br)ccc1NC(=O)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000156284565 531726482 /nfs/dbraw/zinc/72/64/82/531726482.db2.gz VFMYRMOXMLJWEZ-FZMZJTMJSA-N 0 0 399.285 2.454 10 0 GEAERN Cn1cc(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc(Br)c1=O ZINC000156288264 531727382 /nfs/dbraw/zinc/72/73/82/531727382.db2.gz YEMJJFIEMJXDSE-BZNIZROVSA-N 0 0 384.274 2.307 10 0 GEAERN NS(=O)(=O)c1cccc(CNC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000048446706 531731510 /nfs/dbraw/zinc/73/15/10/531731510.db2.gz MEISTWMQJXURHX-RYUDHWBXSA-N 0 0 379.404 2.254 10 0 GEAERN COC(=O)C[C@H](NC(=O)Cn1cc(Br)ccc1=O)c1ccccc1 ZINC000047527622 531715662 /nfs/dbraw/zinc/71/56/62/531715662.db2.gz WTEKJALFMGWHLX-AWEZNQCLSA-N 0 0 393.237 2.031 10 0 GEAERN CCCC(=O)N[C@@H]1CCCN(C(=O)Nc2cc(Br)c(=O)n(C)c2)C1 ZINC000156148031 531719216 /nfs/dbraw/zinc/71/92/16/531719216.db2.gz SMOCNSBRGKCLHO-LLVKDONJSA-N 0 0 399.289 2.060 10 0 GEAERN CCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1O ZINC000052004307 531745509 /nfs/dbraw/zinc/74/55/09/531745509.db2.gz OSBVARMHUXTOIN-NWDGAFQWSA-N 0 0 378.288 2.430 10 0 GEAERN NS(=O)(=O)c1cccc(CNC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000048446709 531732740 /nfs/dbraw/zinc/73/27/40/531732740.db2.gz MEISTWMQJXURHX-VXGBXAGGSA-N 0 0 379.404 2.254 10 0 GEAERN CCc1nccn1[C@@H]1CCCN(S(=O)(=O)c2ccsc2C(=O)OC)C1 ZINC000157733508 531753683 /nfs/dbraw/zinc/75/36/83/531753683.db2.gz BGQNQSVEOMLLQH-GFCCVEGCSA-N 0 0 383.495 2.319 10 0 GEAERN COC(=O)C[C@H](NC(=O)CCn1cccn1)c1cccc(Br)c1 ZINC000053413119 531762755 /nfs/dbraw/zinc/76/27/55/531762755.db2.gz LAAJFGQNMOUXBK-AWEZNQCLSA-N 0 0 380.242 2.456 10 0 GEAERN O=C(N[C@@H]1CCCNC1=O)c1cc(Br)ccc1Br ZINC000160519948 531811382 /nfs/dbraw/zinc/81/13/82/531811382.db2.gz UNRMCBIYSYGZFD-SNVBAGLBSA-N 0 0 376.048 2.220 10 0 GEAERN COC(=O)[C@H]1CCCCN1C(=O)C(=O)Nc1cc(Br)ccc1C ZINC000163575475 531861708 /nfs/dbraw/zinc/86/17/08/531861708.db2.gz PYEHCZOBPRQLMJ-CYBMUJFWSA-N 0 0 383.242 2.250 10 0 GEAERN CN1CCO[C@@H](CNC(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000165035244 531871462 /nfs/dbraw/zinc/87/14/62/531871462.db2.gz BXYPHILBOZGCNL-ZDUSSCGKSA-N 0 0 394.273 2.087 10 0 GEAERN C[C@H](NC(=O)C(=O)Nc1ccc(Br)cc1)c1nnc2n1CCCC2 ZINC000165611646 531872907 /nfs/dbraw/zinc/87/29/07/531872907.db2.gz UBVFAYBXJIBCMV-JTQLQIEISA-N 0 0 392.257 2.193 10 0 GEAERN COC(=O)[C@@H]1C[C@@H]1C(=O)NCCC(=O)Nc1cc(Br)ccc1C ZINC000170773623 531891979 /nfs/dbraw/zinc/89/19/79/531891979.db2.gz NCQDUJHDCHKIPH-NWDGAFQWSA-N 0 0 383.242 2.011 10 0 GEAERN C[C@](NC[C@@H](O)COc1cccc(Br)c1)(C(N)=O)c1ccccc1 ZINC000170644529 531885772 /nfs/dbraw/zinc/88/57/72/531885772.db2.gz DVLDWNDJASZGQF-CRAIPNDOSA-N 0 0 393.281 2.179 10 0 GEAERN C[C@H]1CN(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CCS1 ZINC000171688419 531911711 /nfs/dbraw/zinc/91/17/11/531911711.db2.gz AQTSZRPOJBPTCY-LBPRGKRZSA-N 0 0 389.352 2.474 10 0 GEAERN CCn1cc(Br)cc1C(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000171828200 531919497 /nfs/dbraw/zinc/91/94/97/531919497.db2.gz LGDOYXPZGXSUAD-CQSZACIVSA-N 0 0 381.274 2.317 10 0 GEAERN COCCN1CCN(C(=O)NCc2ccc(Br)s2)C[C@@H]1C ZINC000172326722 531945974 /nfs/dbraw/zinc/94/59/74/531945974.db2.gz RJDPZJBPJPXIIB-NSHDSACASA-N 0 0 376.320 2.373 10 0 GEAERN C[C@@H](CNc1ncnc2ccc(I)cc21)N1CCOCC1 ZINC000172380406 531949349 /nfs/dbraw/zinc/94/93/49/531949349.db2.gz UVMZZQJIOKPZSG-NSHDSACASA-N 0 0 398.248 2.367 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(I)cc1)CC2 ZINC000114866485 531957324 /nfs/dbraw/zinc/95/73/24/531957324.db2.gz ZYRGMYBFTNWAKF-LBPRGKRZSA-N 0 0 396.232 2.190 10 0 GEAERN Cc1cc(Cl)c(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1Cl ZINC000119252042 531963813 /nfs/dbraw/zinc/96/38/13/531963813.db2.gz IUZUZEIESNBJOM-NWDGAFQWSA-N 0 0 388.295 2.154 10 0 GEAERN O=C(c1cc2cc(Br)ccc2[nH]1)N1CC[C@@H](N2CCOCC2)C1 ZINC000172760739 531967216 /nfs/dbraw/zinc/96/72/16/531967216.db2.gz SDLWNKAOJBWFAA-CQSZACIVSA-N 0 0 378.270 2.477 10 0 GEAERN Cc1nnc([C@@H]2CN([C@@H](C)C(=O)Nc3cccc(Br)c3)CCO2)[nH]1 ZINC000173015232 531980076 /nfs/dbraw/zinc/98/00/76/531980076.db2.gz RDTBDRLSSGDGHL-HZMBPMFUSA-N 0 0 394.273 2.276 10 0 GEAERN CC(=O)N[C@@H]1CCCN(CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000120815475 531996058 /nfs/dbraw/zinc/99/60/58/531996058.db2.gz QKZGUEKSQDHEFN-OAHLLOKOSA-N 0 0 382.302 2.008 10 0 GEAERN CN1CCO[C@H](CNC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000173337934 532005476 /nfs/dbraw/zinc/00/54/76/532005476.db2.gz KUBOHCVJIRJJCM-LLVKDONJSA-N 0 0 380.798 2.003 10 0 GEAERN CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@H]1CO ZINC000121016385 532007810 /nfs/dbraw/zinc/00/78/10/532007810.db2.gz VUOUAWXHIVWPNO-LBPRGKRZSA-N 0 0 385.258 2.158 10 0 GEAERN CC(C)Oc1cc(Br)cc(NC(=O)C(=O)N2CCC[C@@H]2CO)c1 ZINC000121209313 532018836 /nfs/dbraw/zinc/01/88/36/532018836.db2.gz SSNCSOICVXRHMO-CYBMUJFWSA-N 0 0 385.258 2.158 10 0 GEAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000173571103 532021347 /nfs/dbraw/zinc/02/13/47/532021347.db2.gz BDRDHMDEOLBGLO-ZDUSSCGKSA-N 0 0 379.258 2.465 10 0 GEAERN CC[C@@H](O)CN1CCN(C(=O)[C@@H](C)Oc2cccc(Br)c2)CC1 ZINC000173585780 532021720 /nfs/dbraw/zinc/02/17/20/532021720.db2.gz XTLCPVSCLIVUBK-UKRRQHHQSA-N 0 0 385.302 2.132 10 0 GEAERN CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3nc(C)cs3)C2)cc1 ZINC000173591246 532022525 /nfs/dbraw/zinc/02/25/25/532022525.db2.gz NNUVIJFAQFHCTH-AWEZNQCLSA-N 0 0 379.507 2.379 10 0 GEAERN Cc1cc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)ccc1Br ZINC000173689613 532028331 /nfs/dbraw/zinc/02/83/31/532028331.db2.gz XIGXBUOMEXOQHN-ZDUSSCGKSA-N 0 0 392.257 2.151 10 0 GEAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3Cl)CCO2)[nH]1 ZINC000173735983 532029694 /nfs/dbraw/zinc/02/96/94/532029694.db2.gz BYJDLVJKDJJZCD-LLVKDONJSA-N 0 0 377.253 2.182 10 0 GEAERN C[C@H](Cc1cccc(Br)c1)NC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173793445 532033766 /nfs/dbraw/zinc/03/37/66/532033766.db2.gz XDSURGFLXSITNN-RHSMWYFYSA-N 0 0 396.329 2.496 10 0 GEAERN Cc1nc(CN2CCCN(S(=O)(=O)c3ccc(C)cc3Cl)CC2)no1 ZINC000173825626 532034881 /nfs/dbraw/zinc/03/48/81/532034881.db2.gz GQQKNVWSMQWGME-UHFFFAOYSA-N 0 0 384.889 2.236 10 0 GEAERN C[C@@H](C(=O)Nc1ccccc1Br)N1CC[C@H](N2CCOCC2)C1 ZINC000173904420 532041549 /nfs/dbraw/zinc/04/15/49/532041549.db2.gz JWKOPDHKJZMADY-KBPBESRZSA-N 0 0 382.302 2.183 10 0 GEAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000121707060 532041748 /nfs/dbraw/zinc/04/17/48/532041748.db2.gz ZOJXMCSQZUKZCB-TZMCWYRMSA-N 0 0 385.251 2.416 10 0 GEAERN C[C@@H](NC(=O)c1csc(S(N)(=O)=O)c1)c1cccc(-n2ccnc2)c1 ZINC000173939909 532043542 /nfs/dbraw/zinc/04/35/42/532043542.db2.gz OXVVWNDLGDJIQY-LLVKDONJSA-N 0 0 376.463 2.072 10 0 GEAERN Cc1nnc([C@H]2CN(C[C@H](O)COc3cc(Cl)ccc3Cl)CCO2)[nH]1 ZINC000174098399 532048222 /nfs/dbraw/zinc/04/82/22/532048222.db2.gz JASSEHJZOLAFSX-SWLSCSKDSA-N 0 0 387.267 2.233 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Br)c(C)n1 ZINC000174097203 532049152 /nfs/dbraw/zinc/04/91/52/532049152.db2.gz FRAFWZUCHRLUKT-GFCCVEGCSA-N 0 0 390.303 2.295 10 0 GEAERN CC(C)c1ncc(Cl)c(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000122346247 532067553 /nfs/dbraw/zinc/06/75/53/532067553.db2.gz ORIJYNDTLNGDKO-JTQLQIEISA-N 0 0 382.873 2.392 10 0 GEAERN COC(=O)c1ccc(S(=O)(=O)N2CCC(c3cc[nH]n3)CC2)c(Cl)c1 ZINC000122436120 532069931 /nfs/dbraw/zinc/06/99/31/532069931.db2.gz ZXPUAAIXKVWVBS-UHFFFAOYSA-N 0 0 383.857 2.418 10 0 GEAERN CCc1nnc([C@@H]2CN(S(=O)(=O)c3ccc(C(C)(C)C)s3)CCO2)[nH]1 ZINC000122429514 532070079 /nfs/dbraw/zinc/07/00/79/532070079.db2.gz YXOJATUSLNRELL-NSHDSACASA-N 0 0 384.527 2.488 10 0 GEAERN CC(=O)N[C@@H]1CCCN(c2ncnc3ccc(I)cc32)C1 ZINC000174690595 532073997 /nfs/dbraw/zinc/07/39/97/532073997.db2.gz AVXZFHDKJBYIHG-GFCCVEGCSA-N 0 0 396.232 2.339 10 0 GEAERN Cc1cc(N2CCC[C@H](NC(=O)c3cccc(Br)c3)C2=O)n(C)n1 ZINC000174973160 532085074 /nfs/dbraw/zinc/08/50/74/532085074.db2.gz SEBOKGFSYKLPNR-AWEZNQCLSA-N 0 0 391.269 2.416 10 0 GEAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000174983302 532085400 /nfs/dbraw/zinc/08/54/00/532085400.db2.gz BMIHMQADOUGYFL-PRHODGIISA-N 0 0 391.212 2.333 10 0 GEAERN O=C(Nc1cc(F)c(Br)cc1F)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000123073947 532092335 /nfs/dbraw/zinc/09/23/35/532092335.db2.gz CSBCHBSPJDKNFV-UFBFGSQYSA-N 0 0 391.212 2.333 10 0 GEAERN CCCCN(C)S(=O)(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000175224848 532093933 /nfs/dbraw/zinc/09/39/33/532093933.db2.gz FKGIOSYNMBQMDJ-HUUCEWRRSA-N 0 0 375.560 2.076 10 0 GEAERN C[C@H]1CN(C(=O)NCc2nc(C(F)(F)F)cs2)C[C@H]1N1CCOCC1 ZINC000175807198 532116402 /nfs/dbraw/zinc/11/64/02/532116402.db2.gz ALRCBWRXJYOUQW-WDEREUQCSA-N 0 0 378.420 2.024 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cccc(Br)c1C ZINC000176017951 532122482 /nfs/dbraw/zinc/12/24/82/532122482.db2.gz MXOOHRCRTRWBFM-CYBMUJFWSA-N 0 0 392.257 2.247 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc(C)cc1Br ZINC000176017694 532123060 /nfs/dbraw/zinc/12/30/60/532123060.db2.gz XVBKCIHKJLVXPF-CYBMUJFWSA-N 0 0 392.257 2.247 10 0 GEAERN C[C@H](NC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cccs1 ZINC000176258702 532131426 /nfs/dbraw/zinc/13/14/26/532131426.db2.gz LVVKYERMSAGCDB-VIFPVBQESA-N 0 0 385.433 2.422 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(I)ccc1O ZINC000176284765 532132157 /nfs/dbraw/zinc/13/21/57/532132157.db2.gz CGPXGWCNKPVZRC-LLVKDONJSA-N 0 0 398.204 2.162 10 0 GEAERN C[C@@H](NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000125491839 532135884 /nfs/dbraw/zinc/13/58/84/532135884.db2.gz OGWUYDIHWPMWQI-ZWNOBZJWSA-N 0 0 375.288 2.339 10 0 GEAERN CC(C)n1nnnc1C[S@@](=O)CC(=O)Nc1ccccc1C(F)(F)F ZINC000176571122 532141571 /nfs/dbraw/zinc/14/15/71/532141571.db2.gz LEJZYMVZMYTTSH-RUZDIDTESA-N 0 0 375.376 2.160 10 0 GEAERN Cc1ccc([C@H](CNC(=O)CSc2nncs2)N2CCOCC2)s1 ZINC000176563397 532141848 /nfs/dbraw/zinc/14/18/48/532141848.db2.gz UCFVCOXDLAEPQV-LBPRGKRZSA-N 0 0 384.552 2.190 10 0 GEAERN C[C@@H]1CN(Cc2cc3c(cc2Br)OCCO3)C[C@@H]1N1CCOCC1 ZINC000177240584 532165229 /nfs/dbraw/zinc/16/52/29/532165229.db2.gz HBHIBYBSCFSIKU-CJNGLKHVSA-N 0 0 397.313 2.373 10 0 GEAERN COc1ccc(Br)c(NC(=O)C(=O)N2CCN3CCCC[C@H]3C2)c1 ZINC000177396334 532170900 /nfs/dbraw/zinc/17/09/00/532170900.db2.gz MVUQEBSRHNEBJZ-LBPRGKRZSA-N 0 0 396.285 2.093 10 0 GEAERN Cc1ccc(Br)c(S(=O)(=O)N2CCC[C@H](n3cncn3)C2)c1 ZINC000127930220 532158884 /nfs/dbraw/zinc/15/88/84/532158884.db2.gz DCKDXVAJGMRZDF-LBPRGKRZSA-N 0 0 385.287 2.375 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(C)nc1Br ZINC000127956026 532159290 /nfs/dbraw/zinc/15/92/90/532159290.db2.gz VNGVMDWICDEZLK-LBPRGKRZSA-N 0 0 390.303 2.295 10 0 GEAERN Cc1nccn1C[C@@H]1CCCN1C(=O)c1cc(I)c[nH]1 ZINC000177167648 532163804 /nfs/dbraw/zinc/16/38/04/532163804.db2.gz ISRSZJCLCBYRJQ-LBPRGKRZSA-N 0 0 384.221 2.429 10 0 GEAERN O=C(c1cncc(I)c1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000129525974 532179805 /nfs/dbraw/zinc/17/98/05/532179805.db2.gz NWNGGTTXGJPTIC-CQSZACIVSA-N 0 0 395.200 2.375 10 0 GEAERN O=C(N[C@H]1CCCn2ncnc21)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000177532122 532174179 /nfs/dbraw/zinc/17/41/79/532174179.db2.gz PHLCDQIZLJQZME-LBPRGKRZSA-N 0 0 388.225 2.147 10 0 GEAERN O=C(NCCc1ccc(Cl)nc1)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000178083700 532192820 /nfs/dbraw/zinc/19/28/20/532192820.db2.gz BPFNPEPEGKATJI-AWEZNQCLSA-N 0 0 379.869 2.495 10 0 GEAERN CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)NCCc1nccs1 ZINC000178620949 532207298 /nfs/dbraw/zinc/20/72/98/532207298.db2.gz DFAZZYATHPARHQ-AWEZNQCLSA-N 0 0 380.539 2.462 10 0 GEAERN CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(F)c(I)c2)C1 ZINC000132642960 532219055 /nfs/dbraw/zinc/21/90/55/532219055.db2.gz KRLVAKREMSLFIX-LLVKDONJSA-N 0 0 390.196 2.171 10 0 GEAERN CNC(=O)[C@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1Br)C(C)C ZINC000178844228 532214651 /nfs/dbraw/zinc/21/46/51/532214651.db2.gz OWZZWHFDNYCBMU-CYBMUJFWSA-N 0 0 397.248 2.274 10 0 GEAERN NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000132802433 532221979 /nfs/dbraw/zinc/22/19/79/532221979.db2.gz ZQEWJPXJBWWFOS-ZDUSSCGKSA-N 0 0 386.836 2.217 10 0 GEAERN CC(C)c1nnc2n1C[C@@H](N[C@@H](C(N)=O)c1cccc(Br)c1)CC2 ZINC000179220608 532225063 /nfs/dbraw/zinc/22/50/63/532225063.db2.gz VMHBPIUEXJKNEE-DZGCQCFKSA-N 0 0 392.301 2.295 10 0 GEAERN Cc1ccc(NC(=O)C(=O)N2CCC(c3cc[nH]n3)CC2)c(Br)n1 ZINC000179754558 532241905 /nfs/dbraw/zinc/24/19/05/532241905.db2.gz DCZNOYSJFULHRH-UHFFFAOYSA-N 0 0 392.257 2.220 10 0 GEAERN COC[C@H](C)C(=O)Nc1cc(I)cc(C(=O)OC)c1 ZINC000133883170 532245011 /nfs/dbraw/zinc/24/50/11/532245011.db2.gz SZXJYEBLHPTKJP-QMMMGPOBSA-N 0 0 377.178 2.299 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000179818498 532245186 /nfs/dbraw/zinc/24/51/86/532245186.db2.gz AYIWPYPDOYIIGN-HOTGVXAUSA-N 0 0 375.296 2.332 10 0 GEAERN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2CO)cc1Cl ZINC000134035993 532248514 /nfs/dbraw/zinc/24/85/14/532248514.db2.gz NMAFOANXGBNWOY-MFKMUULPSA-N 0 0 378.853 2.267 10 0 GEAERN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2CO)cc1Cl ZINC000134035785 532249275 /nfs/dbraw/zinc/24/92/75/532249275.db2.gz NMAFOANXGBNWOY-ZWNOBZJWSA-N 0 0 378.853 2.267 10 0 GEAERN CCc1nnc(CS(=O)(=O)CC(=O)Nc2ccc(Cl)cc2Cl)n1C ZINC000180089812 532257030 /nfs/dbraw/zinc/25/70/30/532257030.db2.gz LHMVBTRZDSYNNJ-UHFFFAOYSA-N 0 0 391.280 2.238 10 0 GEAERN C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)C[C@H]1N1CCOCC1 ZINC000180249488 532262808 /nfs/dbraw/zinc/26/28/08/532262808.db2.gz IPTVCIFWYVWFTE-IAQYHMDHSA-N 0 0 386.279 2.111 10 0 GEAERN C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)C[C@H]1N1CCOCC1 ZINC000180256355 532263472 /nfs/dbraw/zinc/26/34/72/532263472.db2.gz BGCQEASQUWLUIQ-XHDPSFHLSA-N 0 0 386.279 2.111 10 0 GEAERN CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccco2)cc1F ZINC000135485705 532274850 /nfs/dbraw/zinc/27/48/50/532274850.db2.gz FGFBUMOYZSVEFB-AWEZNQCLSA-N 0 0 388.442 2.316 10 0 GEAERN Cc1sc2ncc(C(=O)N3CCO[C@@H](c4nccs4)C3)c(=O)n2c1C ZINC000180625850 532276967 /nfs/dbraw/zinc/27/69/67/532276967.db2.gz KVMWEYQKRJZLBR-GFCCVEGCSA-N 0 0 376.463 2.043 10 0 GEAERN C[C@H](NC(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1)c1ccccc1Br ZINC000180719241 532278817 /nfs/dbraw/zinc/27/88/17/532278817.db2.gz BSGNKQGHHDFIDB-YWPYICTPSA-N 0 0 398.301 2.445 10 0 GEAERN COc1cc(C(=O)N2CC[C@H](N3CCOCC3)C2)sc1Br ZINC000136089024 532281927 /nfs/dbraw/zinc/28/19/27/532281927.db2.gz HLNUORNTMDGABT-JTQLQIEISA-N 0 0 375.288 2.066 10 0 GEAERN CN1CCO[C@@H](CNC(=O)c2coc(-c3ccc(Br)cc3F)n2)C1 ZINC000181166850 532291957 /nfs/dbraw/zinc/29/19/57/532291957.db2.gz AZCPDPSQZODQDI-NSHDSACASA-N 0 0 398.232 2.304 10 0 GEAERN O=C(Nc1cccnc1Br)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000181340084 532295907 /nfs/dbraw/zinc/29/59/07/532295907.db2.gz YHFSHNKJOYEVOH-LLVKDONJSA-N 0 0 376.210 2.423 10 0 GEAERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cc(C)c(Br)s2)C1 ZINC000150116436 532300899 /nfs/dbraw/zinc/30/08/99/532300899.db2.gz MGQUOWRKASIHTE-SNVBAGLBSA-N 0 0 381.317 2.108 10 0 GEAERN O=S(=O)(Cc1cc(Cl)cc(Cl)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000151136504 532306984 /nfs/dbraw/zinc/30/69/84/532306984.db2.gz KVACGRSLLLBWRE-HNNXBMFYSA-N 0 0 390.292 2.421 10 0 GEAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1c(Cl)cccc1C(F)(F)F ZINC000151190037 532307650 /nfs/dbraw/zinc/30/76/50/532307650.db2.gz KSJKVNFXYACNJE-QMMMGPOBSA-N 0 0 380.779 2.244 10 0 GEAERN COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2c2cnn(C)c2)cc1Cl ZINC000137467941 532290356 /nfs/dbraw/zinc/29/03/56/532290356.db2.gz IXNCBRHMMCKEEB-HNNXBMFYSA-N 0 0 383.857 2.386 10 0 GEAERN CC(C)c1nnc(CS(=O)(=O)c2nncn2-c2cccc(Cl)c2)n1C ZINC000183520597 532325769 /nfs/dbraw/zinc/32/57/69/532325769.db2.gz LAGWHMVMBAFKAP-UHFFFAOYSA-N 0 0 380.861 2.147 10 0 GEAERN Cc1cc(Br)ccc1CC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000182224024 532310491 /nfs/dbraw/zinc/31/04/91/532310491.db2.gz JXZGKGOUHMYAJD-WMLDXEAASA-N 0 0 381.314 2.479 10 0 GEAERN CCn1c(C)nnc1Cn1cc(Br)cc(Br)c1=O ZINC000182340438 532311906 /nfs/dbraw/zinc/31/19/06/532311906.db2.gz ROIZAESNSHCLIF-UHFFFAOYSA-N 0 0 376.052 2.341 10 0 GEAERN Cc1csc([C@H](C)CNC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000182802408 532317963 /nfs/dbraw/zinc/31/79/63/532317963.db2.gz KJAJNGLNQVTOEP-ZYHUDNBSSA-N 0 0 382.511 2.263 10 0 GEAERN CC(C)Cn1c(N)c(C(=O)CN[C@H](C)c2ccc(Cl)s2)c(=O)[nH]c1=O ZINC000183011564 532320767 /nfs/dbraw/zinc/32/07/67/532320767.db2.gz LSKDXZIYZPKWSH-SECBINFHSA-N 0 0 384.889 2.023 10 0 GEAERN COCC(=O)NC1CN(C(=O)c2cc3cc(Br)cc(C)c3o2)C1 ZINC000185280623 532337479 /nfs/dbraw/zinc/33/74/79/532337479.db2.gz VNFPVLKLRSWTEB-UHFFFAOYSA-N 0 0 381.226 2.091 10 0 GEAERN CCCc1cc(=O)n2nc(N3C[C@@H](c4ccsc4)[C@H](CO)C3)sc2n1 ZINC000186152297 532339902 /nfs/dbraw/zinc/33/99/02/532339902.db2.gz BVAYKVOUVYEETG-JSGCOSHPSA-N 0 0 376.507 2.377 10 0 GEAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCc2c(Br)ccc(F)c2C1 ZINC000186253252 532340262 /nfs/dbraw/zinc/34/02/62/532340262.db2.gz GKMVBGNTEBFOOF-SNVBAGLBSA-N 0 0 394.248 2.262 10 0 GEAERN CN1CCO[C@@H](CN[C@@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000186262838 532340401 /nfs/dbraw/zinc/34/04/01/532340401.db2.gz KYSKZKMLICBVES-IRXDYDNUSA-N 0 0 377.286 2.249 10 0 GEAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000186663070 532341597 /nfs/dbraw/zinc/34/15/97/532341597.db2.gz UMWUSDZVZXONTN-CQSZACIVSA-N 0 0 399.285 2.225 10 0 GEAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2cc(C)c(F)cc2Cl)n1 ZINC000183748415 532328876 /nfs/dbraw/zinc/32/88/76/532328876.db2.gz GJLWCWSWDZDATF-LBPRGKRZSA-N 0 0 375.809 2.241 10 0 GEAERN COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000184642248 532334040 /nfs/dbraw/zinc/33/40/40/532334040.db2.gz HGQMBNSQCGGFRS-GXFFZTMASA-N 0 0 385.258 2.388 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)N[C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000184878204 532335387 /nfs/dbraw/zinc/33/53/87/532335387.db2.gz KCSGBJLHBJSGLU-PBHICJAKSA-N 0 0 398.345 2.478 10 0 GEAERN CSc1ccccc1S(=O)(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000187249393 532343644 /nfs/dbraw/zinc/34/36/44/532343644.db2.gz LXUGERUBXDZIAW-CQSZACIVSA-N 0 0 378.523 2.488 10 0 GEAERN CC[C@@H](O)CN1CCN(C(=O)NCc2cc(F)ccc2Br)CC1 ZINC000184921506 532335928 /nfs/dbraw/zinc/33/59/28/532335928.db2.gz OXIYVEOGEVLTQW-CQSZACIVSA-N 0 0 388.281 2.186 10 0 GEAERN Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000188096696 532346613 /nfs/dbraw/zinc/34/66/13/532346613.db2.gz CCWLWEGNTMTUDD-GFCCVEGCSA-N 0 0 391.269 2.446 10 0 GEAERN Cc1ccc(CC(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1Br ZINC000188203597 532347319 /nfs/dbraw/zinc/34/73/19/532347319.db2.gz ULKHIQFARISDMM-RHSMWYFYSA-N 0 0 381.314 2.479 10 0 GEAERN CCc1nnc([C@H]2CN(C(=O)Nc3cccc(Br)n3)CCO2)[nH]1 ZINC000188479932 532348379 /nfs/dbraw/zinc/34/83/79/532348379.db2.gz SASMNLHRXVUZFW-SECBINFHSA-N 0 0 381.234 2.130 10 0 GEAERN CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2CO)cc1Br ZINC000188871719 532349829 /nfs/dbraw/zinc/34/98/29/532349829.db2.gz AWNYPDDFRHURAQ-SMDDNHRTSA-N 0 0 399.285 2.454 10 0 GEAERN Cc1nnc([C@H]2CN(CCOc3cc(F)cc(Br)c3)CCO2)[nH]1 ZINC000189043624 532350648 /nfs/dbraw/zinc/35/06/48/532350648.db2.gz ICOFCXPZMOGNKF-CQSZACIVSA-N 0 0 385.237 2.467 10 0 GEAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCc2cc(Br)ccc2C1 ZINC000189142574 532351064 /nfs/dbraw/zinc/35/10/64/532351064.db2.gz MDBZLOZAEVJHFB-CQSZACIVSA-N 0 0 376.258 2.123 10 0 GEAERN Cn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2sccc2Br)cn1 ZINC000189198099 532351280 /nfs/dbraw/zinc/35/12/80/532351280.db2.gz IUJPOKPCDCQMEP-WDEREUQCSA-N 0 0 392.300 2.053 10 0 GEAERN COC(=O)c1scc(C)c1S(=O)(=O)N1CCC(c2ccnn2C)CC1 ZINC000190106158 532354913 /nfs/dbraw/zinc/35/49/13/532354913.db2.gz VFBVRZAJUCIFAN-UHFFFAOYSA-N 0 0 383.495 2.145 10 0 GEAERN CC(=O)NC1CN(C(=O)Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000190450790 532356112 /nfs/dbraw/zinc/35/61/12/532356112.db2.gz INPPCWIENPUGQC-UHFFFAOYSA-N 0 0 394.294 2.462 10 0 GEAERN O=C(Nc1cc(Br)c(F)cc1F)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000190872423 532358418 /nfs/dbraw/zinc/35/84/18/532358418.db2.gz RSIWSOWQFGJWAI-PWSUYJOCSA-N 0 0 377.185 2.086 10 0 GEAERN COc1cc(Br)ccc1CNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000187594825 532345011 /nfs/dbraw/zinc/34/50/11/532345011.db2.gz XLRTURKFHUKAAL-HNNXBMFYSA-N 0 0 398.301 2.074 10 0 GEAERN CS(=O)(=O)Cc1cccc(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000187681585 532345101 /nfs/dbraw/zinc/34/51/01/532345101.db2.gz SZLPJBDAXMDECO-IRXDYDNUSA-N 0 0 379.503 2.141 10 0 GEAERN Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@H](Cn3cncn3)C2)c1 ZINC000187754915 532345390 /nfs/dbraw/zinc/34/53/90/532345390.db2.gz WHFCLZVTMJYMPO-CYBMUJFWSA-N 0 0 399.314 2.450 10 0 GEAERN CCc1c(C(=O)N2CC(NC(C)=O)C2)cnn1-c1ccc(Br)cc1 ZINC000191478585 532361179 /nfs/dbraw/zinc/36/11/79/532361179.db2.gz TWIIJNRIKFJHEM-UHFFFAOYSA-N 0 0 391.269 2.158 10 0 GEAERN Cc1noc([C@H](C)N2CCN(C(=O)c3nc(Br)ccc3C)CC2)n1 ZINC000191517836 532361274 /nfs/dbraw/zinc/36/12/74/532361274.db2.gz LEFBIVKTEDICDJ-NSHDSACASA-N 0 0 394.273 2.363 10 0 GEAERN C[C@@H]1C(=O)NCCCN1C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000191559935 532361405 /nfs/dbraw/zinc/36/14/05/532361405.db2.gz MFMCQSQNDOTORI-SNVBAGLBSA-N 0 0 379.258 2.350 10 0 GEAERN CC[C@@H](C)CS(=O)(=O)N1CCC(N(CC)CC(=O)OC(C)(C)C)CC1 ZINC000192215896 532395558 /nfs/dbraw/zinc/39/55/58/532395558.db2.gz ABAUGUZLSUMIMZ-OAHLLOKOSA-N 0 0 376.563 2.490 10 0 GEAERN Cn1nc(Br)cc1C(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000192139352 532389159 /nfs/dbraw/zinc/38/91/59/532389159.db2.gz DYOFGJUHIIEXLT-SNVBAGLBSA-N 0 0 387.278 2.312 10 0 GEAERN C[C@H](NC(=O)[C@@H]1CCCN1c1nccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000192995729 532415577 /nfs/dbraw/zinc/41/55/77/532415577.db2.gz MEEONDRJCRBQOV-WFASDCNBSA-N 0 0 379.507 2.393 10 0 GEAERN C[C@@H](NC(=O)[C@@H]1CCCN1c1nccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000192995741 532416060 /nfs/dbraw/zinc/41/60/60/532416060.db2.gz MEEONDRJCRBQOV-DOMZBBRYSA-N 0 0 379.507 2.393 10 0 GEAERN CCn1c(C)nnc1C[S@](=O)Cc1cn2cc(Br)ccc2n1 ZINC000194268247 532445748 /nfs/dbraw/zinc/44/57/48/532445748.db2.gz YYEBOERWBWLHPB-JOCHJYFZSA-N 0 0 382.287 2.466 10 0 GEAERN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2COc3ccccc32)c1 ZINC000194862952 532460961 /nfs/dbraw/zinc/46/09/61/532460961.db2.gz MFIQVJMDUHTEJI-OAHLLOKOSA-N 0 0 380.853 2.454 10 0 GEAERN O=C(CNC(=O)c1cccc(Br)c1)N[C@H]1COc2ccccc21 ZINC000195106927 532470061 /nfs/dbraw/zinc/47/00/61/532470061.db2.gz YKMRUUAOUIIJNX-AWEZNQCLSA-N 0 0 375.222 2.429 10 0 GEAERN O=C(N[C@@H]1CCCNC1=O)c1ccc(Br)cc1Br ZINC000218776725 532483612 /nfs/dbraw/zinc/48/36/12/532483612.db2.gz XFQMZJZNHDKUBH-SNVBAGLBSA-N 0 0 376.048 2.220 10 0 GEAERN C[C@H]1CN(CC(=O)Nc2ccc(Br)cc2)C[C@H]1N1CCOCC1 ZINC000246508840 532540643 /nfs/dbraw/zinc/54/06/43/532540643.db2.gz QJIVMPALBSYHTA-XJKSGUPXSA-N 0 0 382.302 2.040 10 0 GEAERN C[C@@H]1C[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@@H]1N1CCOCC1 ZINC000246634810 532542073 /nfs/dbraw/zinc/54/20/73/532542073.db2.gz ZROZOSRRTWGXJT-UNEWFSDZSA-N 0 0 389.323 2.386 10 0 GEAERN O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCOC[C@@H]1c1nc[nH]n1 ZINC000375192328 532542195 /nfs/dbraw/zinc/54/21/95/532542195.db2.gz MOTIGFJMROTAJT-SNVBAGLBSA-N 0 0 396.778 2.239 10 0 GEAERN NC(=O)[C@@H](c1ccc(Br)cc1F)N1CCC[C@@H](Cn2cncn2)C1 ZINC000246649719 532543407 /nfs/dbraw/zinc/54/34/07/532543407.db2.gz INOXDAIREHOXIJ-IAQYHMDHSA-N 0 0 396.264 2.118 10 0 GEAERN CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCO[C@H]3CCCC[C@H]32)c1 ZINC000245934469 532527381 /nfs/dbraw/zinc/52/73/81/532527381.db2.gz KIWNODGXQWLZFQ-CABCVRRESA-N 0 0 386.901 2.374 10 0 GEAERN C[C@@H]1CN([C@H](CNS(=O)(=O)N2CCCCCC2)c2cccs2)CCO1 ZINC000248338632 532551930 /nfs/dbraw/zinc/55/19/30/532551930.db2.gz HWAJHKQAWVGKMD-HZPDHXFCSA-N 0 0 387.571 2.220 10 0 GEAERN O=C(c1scc(Br)c1Br)N1CCO[C@H](CO)C1 ZINC000528859568 532585827 /nfs/dbraw/zinc/58/58/27/532585827.db2.gz DZUVFJFNMVQLFK-LURJTMIESA-N 0 0 385.077 2.106 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Nc2ccc(Br)c(C)n2)C1 ZINC000263104264 532614837 /nfs/dbraw/zinc/61/48/37/532614837.db2.gz VARTYCWOQIGVDM-UHFFFAOYSA-N 0 0 385.262 2.212 10 0 GEAERN CCSc1cc(Cl)ccc1C(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000263139710 532616603 /nfs/dbraw/zinc/61/66/03/532616603.db2.gz MLKMZVYOLYABPZ-ZDUSSCGKSA-N 0 0 386.901 2.309 10 0 GEAERN CO[C@@H]1C[C@@H](CO)N(C(=O)c2cc(Br)ccc2Br)C1 ZINC000284492661 532596431 /nfs/dbraw/zinc/59/64/31/532596431.db2.gz AEDWZLJYODWQNS-VHSXEESVSA-N 0 0 393.075 2.433 10 0 GEAERN C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262899841 532606481 /nfs/dbraw/zinc/60/64/81/532606481.db2.gz HZVYMSWDHFVRLA-JSGCOSHPSA-N 0 0 386.901 2.064 10 0 GEAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000262955341 532608211 /nfs/dbraw/zinc/60/82/11/532608211.db2.gz JJRRODOQKDYHDU-GFCCVEGCSA-N 0 0 378.853 2.039 10 0 GEAERN O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@H]1CC(F)(F)CN1 ZINC000263013370 532611565 /nfs/dbraw/zinc/61/15/65/532611565.db2.gz PYTMAXHCWMBXSC-MRVPVSSYSA-N 0 0 383.708 2.015 10 0 GEAERN O=S1(=O)CC[C@@H](N2CCN(c3ccc4c(Cl)ccnc4c3F)CC2)C1 ZINC000301725127 532759174 /nfs/dbraw/zinc/75/91/74/532759174.db2.gz MBISPEPBWKACPX-GFCCVEGCSA-N 0 0 383.876 2.336 10 0 GEAERN O=S1(=O)N=C(NCCC2CCN(CC(F)(F)F)CC2)c2ccccc21 ZINC000301488566 532752261 /nfs/dbraw/zinc/75/22/61/532752261.db2.gz JOFMCFAXNPXHHH-UHFFFAOYSA-N 0 0 375.416 2.390 10 0 GEAERN O=S(=O)(c1ccccc1N1CCN(C[C@H]2CCOC2)CC1)C(F)(F)F ZINC000301537496 532753430 /nfs/dbraw/zinc/75/34/30/532753430.db2.gz JDVBHEWFSFGLER-CYBMUJFWSA-N 0 0 378.416 2.139 10 0 GEAERN COCCC(=O)N1CCN(c2ccnc3cc(Br)cnc32)CC1 ZINC000302717211 532771846 /nfs/dbraw/zinc/77/18/46/532771846.db2.gz YQXFBYSAVYQWDY-UHFFFAOYSA-N 0 0 379.258 2.077 10 0 GEAERN CN(CC(=O)Nc1ccc(F)cc1F)S(=O)(=O)c1cccc2nsnc21 ZINC000005012583 209558201 /nfs/dbraw/zinc/55/82/01/209558201.db2.gz STAPPZWWIASGRF-UHFFFAOYSA-N 0 0 398.416 2.229 10 0 GEAERN Cc1ccc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c(Br)c1 ZINC000002726331 209380184 /nfs/dbraw/zinc/38/01/84/209380184.db2.gz GZJIECVFFMYWTE-UHFFFAOYSA-N 0 0 388.221 2.399 10 0 GEAERN O=C(NCCS(=O)(=O)c1ccccc1)c1ccc[n+]([O-])c1Oc1ccccc1 ZINC000002141916 209347321 /nfs/dbraw/zinc/34/73/21/209347321.db2.gz FGAHVOYMIHHHMO-UHFFFAOYSA-N 0 0 398.440 2.316 10 0 GEAERN C[NH2+]C[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2OC)C1 ZINC000005852441 209230943 /nfs/dbraw/zinc/23/09/43/209230943.db2.gz ITLUJXOWXJGURR-LLVKDONJSA-N 0 0 389.427 2.228 10 0 GEAERN CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(N)=O ZINC000004764239 209231449 /nfs/dbraw/zinc/23/14/49/209231449.db2.gz JCFAUIGZYQYJPD-IAGOWNOFSA-N 0 0 377.485 2.344 10 0 GEAERN COc1ccc([C@H]2Oc3cc(OC)c(OC)c(O)c3C(=O)[C@H]2OC)cc1O ZINC000001722160 209230202 /nfs/dbraw/zinc/23/02/02/209230202.db2.gz LVMHZZSYSNZUCT-IEBWSBKVSA-N 0 0 376.361 2.455 10 0 GEAERN C[C@@]1(c2ccc(Cl)cc2)CC(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O ZINC000003628933 209229480 /nfs/dbraw/zinc/22/94/80/209229480.db2.gz HWKLLEASJCIBRD-KRWDZBQOSA-N 0 0 378.837 2.209 10 0 GEAERN CC(C)n1cc(NC(=O)Cn2cc(-c3ccc4c(c3)OCCC4=O)cn2)nn1 ZINC000023582191 209175178 /nfs/dbraw/zinc/17/51/78/209175178.db2.gz FCSWCJZDPPDMNB-UHFFFAOYSA-N 0 0 380.408 2.326 10 0 GEAERN CNC(=O)c1ccc([C@@H]2CCCCN2Cc2cn(Cc3cccnc3)nn2)n1C ZINC000328640233 209153136 /nfs/dbraw/zinc/15/31/36/209153136.db2.gz PXFSVTSMHUAMKR-IBGZPJMESA-N 0 0 393.495 2.147 10 0 GEAERN CCC(=O)Nc1nnc(S(=O)(=O)N(Cc2ccccc2)C(=O)CC)s1 ZINC000041077656 211395065 /nfs/dbraw/zinc/39/50/65/211395065.db2.gz GLMMXCFWDKMXAK-UHFFFAOYSA-N 0 0 382.467 2.014 10 0 GEAERN CCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)[C@@H]2CCCO2)(c2ccccc2)CC1 ZINC000097214693 211363102 /nfs/dbraw/zinc/36/31/02/211363102.db2.gz QPIYRNZATGPAFF-WMZOPIPTSA-N 0 0 394.537 2.054 10 0 GEAERN CC[C@@H](C(=O)NCc1cccnc1)n1c2ccc(C)cc2c(=O)n(CC)c1=O ZINC000096318364 211332920 /nfs/dbraw/zinc/33/29/20/211332920.db2.gz QQOZCUBVKOCQTC-KRWDZBQOSA-N 0 0 380.448 2.154 10 0 GEAERN O=S(=O)(c1ccc(F)cc1)N1CCCn2cnc(CN3CCCC3)c2C1 ZINC000096084638 211300908 /nfs/dbraw/zinc/30/09/08/211300908.db2.gz HBBCDBLJZGWGPU-UHFFFAOYSA-N 0 0 378.473 2.213 10 0 GEAERN Cc1nnsc1C(=O)N1CCC[C@@]2(CCC(=O)N(CCc3ccccn3)C2)C1 ZINC000095508300 211260635 /nfs/dbraw/zinc/26/06/35/211260635.db2.gz PZBUVEFMYNYQPG-FQEVSTJZSA-N 0 0 399.520 2.329 10 0 GEAERN Cc1nn(-c2ccccc2)c(=O)n1CC(=O)NCc1cc(-c2ccccc2)n[nH]1 ZINC000077485209 211135050 /nfs/dbraw/zinc/13/50/50/211135050.db2.gz UHVQUNJJUUVKJG-UHFFFAOYSA-N 0 0 388.431 2.049 10 0 GEAERN CN(C)c1cc(N2C[C@H]3OC(=O)N(CCCc4ccc(F)cc4)[C@H]3C2)ncn1 ZINC000015076821 211127734 /nfs/dbraw/zinc/12/77/34/211127734.db2.gz OWFNAJJRFGOGSN-DLBZAZTESA-N 0 0 385.443 2.324 10 0 GEAERN [NH3+][C@H]1CCN(CC(=O)[O-])[C@@H](C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000071791635 211062206 /nfs/dbraw/zinc/06/22/06/211062206.db2.gz DDSISWRPJLDURD-VBKZILBWSA-N 0 0 380.444 2.218 10 0 GEAERN O=C(NCCc1cc(=O)[nH]cn1)c1csc2nc(-c3ccccc3F)cn12 ZINC000067894849 211029965 /nfs/dbraw/zinc/02/99/65/211029965.db2.gz OQRQBTZEZVNDMU-UHFFFAOYSA-N 0 0 383.408 2.258 10 0 GEAERN CCc1cnc(C)nc1N1CCC(n2nccc2NC(=O)[C@@H]2CCOC2)CC1 ZINC000067935139 211029523 /nfs/dbraw/zinc/02/95/23/211029523.db2.gz PFQLNBCVKMPPOH-MRXNPFEDSA-N 0 0 384.484 2.360 10 0 GEAERN O=C(c1cc2n(n1)CCN(Cc1cccn1-c1nccs1)C2)N1CCCC1 ZINC000065382065 210989900 /nfs/dbraw/zinc/98/99/00/210989900.db2.gz UGBSUQSQWWLSLQ-UHFFFAOYSA-N 0 0 382.493 2.382 10 0 GEAERN CC(=O)N1CCc2cc(-c3ccc(C(=O)N[C@H]4CCS(=O)(=O)C4)cc3)ccc21 ZINC000065026989 210961636 /nfs/dbraw/zinc/96/16/36/210961636.db2.gz BEYHZDQNXHRNIL-IBGZPJMESA-N 0 0 398.484 2.180 10 0 GEAERN COc1ccc(-c2nnc3ccc(N4CCC(C(=O)NC5CC5)CC4)nn32)cc1 ZINC000033260039 210632686 /nfs/dbraw/zinc/63/26/86/210632686.db2.gz QGWHSWMHBBFNKI-UHFFFAOYSA-N 0 0 392.463 2.295 10 0 GEAERN O=C(Cn1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2ccccc21)NC1CC1 ZINC000033068549 210620719 /nfs/dbraw/zinc/62/07/19/210620719.db2.gz OCVZICXAXHPDCG-UHFFFAOYSA-N 0 0 383.835 2.144 10 0 GEAERN CN1CCO[C@@H](CNCc2c(Br)cncc2Br)C1 ZINC000290953399 532893698 /nfs/dbraw/zinc/89/36/98/532893698.db2.gz VJNVKZQLIDSHSQ-VIFPVBQESA-N 0 0 379.096 2.027 10 0 GEAERN CN1CCO[C@H](CNCc2c(Br)cncc2Br)C1 ZINC000290953397 532893861 /nfs/dbraw/zinc/89/38/61/532893861.db2.gz VJNVKZQLIDSHSQ-SECBINFHSA-N 0 0 379.096 2.027 10 0 GEAERN CC(C)(C)S(=O)(=O)n1c(N)nc2ccc(I)cc21 ZINC000021988549 210402673 /nfs/dbraw/zinc/40/26/73/210402673.db2.gz PFNXHPKHAHJTDX-UHFFFAOYSA-N 0 0 379.223 2.200 10 0 GEAERN Cc1ccc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(F)cc2)s1 ZINC000020905585 210369874 /nfs/dbraw/zinc/36/98/74/210369874.db2.gz POSXMSCYBHGRDG-QGZVFWFLSA-N 0 0 375.469 2.203 10 0 GEAERN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)NCCCN3CCOCC3)c12 ZINC000020578936 210349046 /nfs/dbraw/zinc/34/90/46/210349046.db2.gz HYNFKDAUEDEKIZ-UHFFFAOYSA-N 0 0 393.491 2.489 10 0 GEAERN CC(C)N1C[C@H](C(=O)Nc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1=O ZINC000020370012 210329612 /nfs/dbraw/zinc/32/96/12/210329612.db2.gz WGUNAQGTSUOSSI-HLLBOEOZSA-N 0 0 387.480 2.131 10 0 GEAERN CCOc1cc(C(=O)NCCc2nnc(N)s2)cc(OCC)c1OCC ZINC000020201634 210320778 /nfs/dbraw/zinc/32/07/78/210320778.db2.gz QKNWROGGJVPCEQ-UHFFFAOYSA-N 0 0 380.470 2.289 10 0 GEAERN CCN1CCN(C2(C(=O)NCCc3ncccc3C)Cc3ccccc3C2)CC1 ZINC000019760273 210295111 /nfs/dbraw/zinc/29/51/11/210295111.db2.gz WCDDEGZNSLVUJU-UHFFFAOYSA-N 0 0 392.547 2.224 10 0 GEAERN O=C(Cn1nnnc1CN1CCCCCC1)N[C@@H](c1ccco1)C(F)(F)F ZINC000011838307 221130641 /nfs/dbraw/zinc/13/06/41/221130641.db2.gz QUJDDUMZDJJQJV-HNNXBMFYSA-N 0 0 386.378 2.062 10 0 GEAERN Cc1ccnc(N2CCC[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)C2)n1 ZINC000065001100 136158513 /nfs/dbraw/zinc/15/85/13/136158513.db2.gz YTUJKOBPMSBCQU-HXUWFJFHSA-N 0 0 379.508 2.346 10 0 GEAERN CCOC(=O)N1CCN(c2ncnc(Nc3ccccc3OCC)c2N)CC1 ZINC000040801657 535779589 /nfs/dbraw/zinc/77/95/89/535779589.db2.gz MEJCAHVUYJKEHZ-UHFFFAOYSA-N 0 0 386.456 2.480 10 0 GEAERN CS(=O)(=O)c1ccc(CN2CCN3C(=O)N(C4CCCCC4)C[C@H]3C2)cc1 ZINC000077266910 560046295 /nfs/dbraw/zinc/04/62/95/560046295.db2.gz TZMGQJPXLYJGGU-GOSISDBHSA-N 0 0 391.537 2.345 10 0 GEAERN Cc1ccc(CN2C[C@H]3CN(C(=O)c4ccc5c(c4)OCO5)CCN3C2=O)cc1 ZINC000096269097 560054147 /nfs/dbraw/zinc/05/41/47/560054147.db2.gz WLLZBNUPHPHJKP-GOSISDBHSA-N 0 0 393.443 2.486 10 0 GEAERN CCN1CCN(C(=O)c2ccc(CS(=O)(=O)c3ccccc3C)o2)CC1 ZINC000005042561 570404836 /nfs/dbraw/zinc/40/48/36/570404836.db2.gz LYEHOFFKASAVGN-UHFFFAOYSA-N 0 0 376.478 2.340 10 0 GEAERN COCCNC(=O)[C@@H]1Cc2ccccc2N2CCN(c3cccc(OC)c3)C[C@H]12 ZINC000035869966 570467993 /nfs/dbraw/zinc/46/79/93/570467993.db2.gz ZBSAXYAYSYKTKH-IFMALSPDSA-N 0 0 395.503 2.325 10 0 GEAERN CCC(=O)N1CCC([C@@H](NC(=O)c2ccc(F)cc2)C(=O)N(CC)CC)CC1 ZINC000036148102 570549612 /nfs/dbraw/zinc/54/96/12/570549612.db2.gz ZSDVBQHBBBARAJ-LJQANCHMSA-N 0 0 391.487 2.441 10 0 GEAERN CC(C)[C@H](O)CN1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc(F)cc2)C1 ZINC000169679873 570601120 /nfs/dbraw/zinc/60/11/20/570601120.db2.gz RXKRJBOTWBGXRP-WOJBJXKFSA-N 0 0 378.488 2.396 10 0 GEAERN COCCNC(=O)CSc1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033011878 570624507 /nfs/dbraw/zinc/62/45/07/570624507.db2.gz GTXLHVANLABOHN-UHFFFAOYSA-N 0 0 386.886 2.299 10 0 GEAERN C[C@H](NC(=O)c1ccc(N(C)C)c(S(=O)(=O)N(C)C)c1)c1ccccc1 ZINC000033052947 570739370 /nfs/dbraw/zinc/73/93/70/570739370.db2.gz UBQNSNWLDAHNKA-AWEZNQCLSA-N 0 0 375.494 2.494 10 0 GEAERN Cn1ncc(N2CCC[C@@H](C(=O)NCc3ccc(F)cc3Cl)C2)cc1=O ZINC000065313748 570795815 /nfs/dbraw/zinc/79/58/15/570795815.db2.gz HEMULCZLGFBIBA-CYBMUJFWSA-N 0 0 378.835 2.106 10 0 GEAERN Cc1noc([C@@H]2CC[C@H](CN(Cc3cnc(Cl)s3)S(C)(=O)=O)O2)n1 ZINC000583623010 570801412 /nfs/dbraw/zinc/80/14/12/570801412.db2.gz KBJWJMGHDIZQSA-KOLCDFICSA-N 0 0 392.890 2.170 10 0 GEAERN C[C@@H](NS(=O)(=O)c1cc(F)cc(F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000010518030 642360843 /nfs/dbraw/zinc/36/08/43/642360843.db2.gz VHFHCJHZKIZRQV-SNVBAGLBSA-N 0 0 375.418 2.408 10 0 GEAERN C[C@H](NC(=O)C(=O)Nc1cccc(-n2cnnn2)c1)c1ccc(Cl)s1 ZINC000041758989 642532066 /nfs/dbraw/zinc/53/20/66/642532066.db2.gz RSHDDXFXVPXOHY-VIFPVBQESA-N 0 0 376.829 2.193 10 0 GEAERN Cc1ccc(O[C@@H](C)C(=O)NC[C@@H](C)N2CCOCC2)c(Br)c1 ZINC000044498112 642579967 /nfs/dbraw/zinc/57/99/67/642579967.db2.gz JEHZCJWTXLPWJG-KGLIPLIRSA-N 0 0 385.302 2.362 10 0 GEAERN C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1)[C@H]1CCCO1 ZINC000049674768 642670281 /nfs/dbraw/zinc/67/02/81/642670281.db2.gz OOCLDZUZMQRWJP-SMDDNHRTSA-N 0 0 390.299 2.048 10 0 GEAERN C[C@H]1CN(C(=O)COc2ccc(I)cc2)C[C@H](C)O1 ZINC000049824360 642672280 /nfs/dbraw/zinc/67/22/80/642672280.db2.gz YXLZKGGMHMILIU-QWRGUYRKSA-N 0 0 375.206 2.306 10 0 GEAERN C[C@@H](NC(=O)c1cccs1)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000054321180 642751481 /nfs/dbraw/zinc/75/14/81/642751481.db2.gz FBMDHPBOOGJESA-NWDGAFQWSA-N 0 0 380.491 2.147 10 0 GEAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000066918944 642950175 /nfs/dbraw/zinc/95/01/75/642950175.db2.gz YXTLBPLYZFBOMK-SECBINFHSA-N 0 0 380.235 2.162 10 0 GEAERN CNS(=O)(=O)c1cccc([C@H](C)NS(=O)(=O)/C=C/c2ccccc2)c1 ZINC000066937145 642953938 /nfs/dbraw/zinc/95/39/38/642953938.db2.gz KKCCMUDTZVFIOH-GETOMWPZSA-N 0 0 380.491 2.246 10 0 GEAERN C[C@@H](CNC(=O)N[C@@H]1CCc2c1cccc2Br)N1CCOCC1 ZINC000069767825 643039974 /nfs/dbraw/zinc/03/99/74/643039974.db2.gz AQRVGNXJSNHZTB-BLLLJJGKSA-N 0 0 382.302 2.456 10 0 GEAERN COC(=O)[C@@H](C)CN(C1CC1)S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000102660657 643131865 /nfs/dbraw/zinc/13/18/65/643131865.db2.gz SGRXEWWYCKWKFF-NSHDSACASA-N 0 0 392.880 2.429 10 0 GEAERN CCn1cnnc1[C@H]1CCCN(CC(=O)Nc2ccc(Br)cn2)C1 ZINC000103476682 643167964 /nfs/dbraw/zinc/16/79/64/643167964.db2.gz LHOMVZBIVDZJRW-LBPRGKRZSA-N 0 0 393.289 2.274 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)CCOc1cccc(Cl)c1 ZINC000105128421 643200001 /nfs/dbraw/zinc/20/00/01/643200001.db2.gz KGBGVABRSOKXFY-MRXNPFEDSA-N 0 0 388.917 2.381 10 0 GEAERN O=C(CN1CCC(Nc2cccnn2)CC1)Nc1ccc(Br)cn1 ZINC000106081280 643219921 /nfs/dbraw/zinc/21/99/21/643219921.db2.gz JIKJRSQPNQWTON-UHFFFAOYSA-N 0 0 391.273 2.149 10 0 GEAERN COCCN1CCN(CC(=O)Nc2ccc(Br)c(C)c2)C[C@H]1C ZINC000106108598 643223391 /nfs/dbraw/zinc/22/33/91/643223391.db2.gz OSHITNXOFFGQHO-CQSZACIVSA-N 0 0 384.318 2.349 10 0 GEAERN CN(CC(=O)NCc1cccs1)C[C@H](c1cccs1)N1CCOCC1 ZINC000106162074 643225005 /nfs/dbraw/zinc/22/50/05/643225005.db2.gz MOAHFVCFCPEXKY-MRXNPFEDSA-N 0 0 379.551 2.431 10 0 GEAERN C[C@@H](CNC(=O)c1cnn(-c2cccc(Br)c2)c1)N1CCOCC1 ZINC000106739893 643237414 /nfs/dbraw/zinc/23/74/14/643237414.db2.gz CWSRLGVZPINEKF-ZDUSSCGKSA-N 0 0 393.285 2.085 10 0 GEAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccc(Br)cc1 ZINC000107039486 643248068 /nfs/dbraw/zinc/24/80/68/643248068.db2.gz SAHNNQWQWMBTHW-OAHLLOKOSA-N 0 0 376.254 2.345 10 0 GEAERN O=C(COc1ccc(Br)cc1)N1CCCN(c2cccnn2)CC1 ZINC000109628524 643298410 /nfs/dbraw/zinc/29/84/10/643298410.db2.gz FGFSXALPDIPCLM-UHFFFAOYSA-N 0 0 391.269 2.357 10 0 GEAERN Cn1cc(CN2CCCN(C(=O)c3ccc(Br)cc3O)CC2)cn1 ZINC000109657393 643298991 /nfs/dbraw/zinc/29/89/91/643298991.db2.gz UADKBQMRWKJIJT-UHFFFAOYSA-N 0 0 393.285 2.236 10 0 GEAERN CCn1cc(CN2CCCN(C(=O)c3cc(Br)c[nH]3)CC2)cn1 ZINC000109661706 643299066 /nfs/dbraw/zinc/29/90/66/643299066.db2.gz AYELWRMYZSQFNA-UHFFFAOYSA-N 0 0 380.290 2.342 10 0 GEAERN Cc1noc([C@@H](C)N2CCN(S(=O)(=O)c3cccc(Cl)c3C)CC2)n1 ZINC000111344547 643335508 /nfs/dbraw/zinc/33/55/08/643335508.db2.gz SNORGBIRDAEELY-GFCCVEGCSA-N 0 0 384.889 2.407 10 0 GEAERN Cc1ncc(CN2CCN(S(=O)(=O)c3c(F)cc(F)cc3F)CC2)s1 ZINC000111346240 643335928 /nfs/dbraw/zinc/33/59/28/643335928.db2.gz YXPJCNBADBTPGP-UHFFFAOYSA-N 0 0 391.440 2.375 10 0 GEAERN CCOc1nn(CN2CCN([C@@H](C)c3nc(CC)no3)CC2)c(=S)s1 ZINC000112070684 643353111 /nfs/dbraw/zinc/35/31/11/643353111.db2.gz DOCOMGQHGRXAJL-NSHDSACASA-N 0 0 384.531 2.354 10 0 GEAERN CCc1csc([C@H]2CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)n1 ZINC000113201855 643384969 /nfs/dbraw/zinc/38/49/69/643384969.db2.gz OIXFFGIEVRGKJS-AWEZNQCLSA-N 0 0 385.555 2.083 10 0 GEAERN Cn1cc([C@@H]2CCN(C(=O)CCS(=O)(=O)c3ccc(Cl)cc3)C2)cn1 ZINC000116123584 643452389 /nfs/dbraw/zinc/45/23/89/643452389.db2.gz QHXFEQUTDAEYAP-CYBMUJFWSA-N 0 0 381.885 2.253 10 0 GEAERN Cn1cc([C@H]2CCN(Cc3nnnn3-c3ccccc3Br)C2)cn1 ZINC000116316881 643456820 /nfs/dbraw/zinc/45/68/20/643456820.db2.gz XSGAKBBFRDWWRJ-LBPRGKRZSA-N 0 0 388.273 2.148 10 0 GEAERN Cn1cc([C@@H]2CCN(S(=O)(=O)c3cc4c(cc3Cl)OCCO4)C2)cn1 ZINC000116370623 643461118 /nfs/dbraw/zinc/46/11/18/643461118.db2.gz ATXXXLYXVKYQCX-LLVKDONJSA-N 0 0 383.857 2.023 10 0 GEAERN COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](c3cnn(C)c3)C2)c(Cl)c1 ZINC000116370634 643461196 /nfs/dbraw/zinc/46/11/96/643461196.db2.gz CZRDACACVMOEBW-LBPRGKRZSA-N 0 0 383.857 2.038 10 0 GEAERN COCCN1CCN(C(=O)c2cccc(I)c2)C[C@@H]1C ZINC000117290411 643486635 /nfs/dbraw/zinc/48/66/35/643486635.db2.gz DKFYPCKDAFJNRH-LBPRGKRZSA-N 0 0 388.249 2.084 10 0 GEAERN CC[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCN1CCOC ZINC000117371904 643490042 /nfs/dbraw/zinc/49/00/42/643490042.db2.gz HMCWRXUSUUAWJJ-CQSZACIVSA-N 0 0 380.432 2.437 10 0 GEAERN C[C@H](CNC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)N1CCOCC1 ZINC000117404008 643490870 /nfs/dbraw/zinc/49/08/70/643490870.db2.gz USFPEHLSSJOOQR-SNVBAGLBSA-N 0 0 377.329 2.233 10 0 GEAERN Cc1cnn(CCNC(=O)N(CCO)Cc2cc(Br)ccc2F)c1 ZINC000118077972 643505123 /nfs/dbraw/zinc/50/51/23/643505123.db2.gz JQJYAKNUDVZOGN-UHFFFAOYSA-N 0 0 399.264 2.297 10 0 GEAERN COC[C@@H](C)C(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000118365661 643511301 /nfs/dbraw/zinc/51/13/01/643511301.db2.gz NKNVTONQHCPBMO-LLVKDONJSA-N 0 0 392.315 2.400 10 0 GEAERN O=C(Cc1ccccc1I)N[C@@H]1CCCn2ncnc21 ZINC000119377805 643549680 /nfs/dbraw/zinc/54/96/80/643549680.db2.gz RONXHJNPSIGFCX-GFCCVEGCSA-N 0 0 382.205 2.077 10 0 GEAERN NC(=O)[C@H](c1ccc(Br)cc1F)N1CCC[C@H](Cn2cncn2)C1 ZINC000119558065 643557202 /nfs/dbraw/zinc/55/72/02/643557202.db2.gz INOXDAIREHOXIJ-NHYWBVRUSA-N 0 0 396.264 2.118 10 0 GEAERN NC(=O)[C@@H](c1ccc(Br)cc1F)N1CCC[C@H](Cn2cncn2)C1 ZINC000119558220 643557297 /nfs/dbraw/zinc/55/72/97/643557297.db2.gz INOXDAIREHOXIJ-XHDPSFHLSA-N 0 0 396.264 2.118 10 0 GEAERN Cc1cnn(C[C@@H]2CN(C(=O)Nc3cccnc3Br)CCO2)c1 ZINC000119981696 643583468 /nfs/dbraw/zinc/58/34/68/643583468.db2.gz DZGAIFZZNFHJLE-LBPRGKRZSA-N 0 0 380.246 2.282 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccc(O)c(Br)c1 ZINC000120487518 643611571 /nfs/dbraw/zinc/61/15/71/643611571.db2.gz NJVLSIHPLHCREF-LBPRGKRZSA-N 0 0 380.246 2.389 10 0 GEAERN C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(SC(F)(F)F)cc2)C[C@H]1C ZINC000122350625 643653661 /nfs/dbraw/zinc/65/36/61/643653661.db2.gz XXHWGVIHEINEMA-VXGBXAGGSA-N 0 0 398.472 2.374 10 0 GEAERN CCCS(=O)(=O)CC(=O)N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000123425914 643669516 /nfs/dbraw/zinc/66/95/16/643669516.db2.gz PLTVNBLYBNAZHN-ZIAGYGMSSA-N 0 0 379.400 2.165 10 0 GEAERN Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccsc2)N2CCOCC2)s1 ZINC000125837712 643713003 /nfs/dbraw/zinc/71/30/03/643713003.db2.gz YJDHSOLUXJZBTB-CQSZACIVSA-N 0 0 379.507 2.246 10 0 GEAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cncc(I)c1 ZINC000126589511 643736424 /nfs/dbraw/zinc/73/64/24/643736424.db2.gz RVUQWRFNWJZEBD-SECBINFHSA-N 0 0 390.221 2.488 10 0 GEAERN Cc1nccn1C[C@H]1CCCN1C(=O)c1cncc(I)c1 ZINC000126961052 643752135 /nfs/dbraw/zinc/75/21/35/643752135.db2.gz DDLOMGUOMRKHNU-CQSZACIVSA-N 0 0 396.232 2.496 10 0 GEAERN CCOc1cc(C)nc(N2CCN(C(=O)CSCC(F)(F)F)CC2)n1 ZINC000127031664 643755801 /nfs/dbraw/zinc/75/58/01/643755801.db2.gz GKIKTWTXFWZZDK-UHFFFAOYSA-N 0 0 378.420 2.128 10 0 GEAERN O=C(COc1cccc(Br)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127377820 643774132 /nfs/dbraw/zinc/77/41/32/643774132.db2.gz RXPZUTDDRAUMJK-CYBMUJFWSA-N 0 0 379.258 2.358 10 0 GEAERN C[C@@H]1COC[C@H](C)N1C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000130504765 643841063 /nfs/dbraw/zinc/84/10/63/643841063.db2.gz WUGYTYIWUUYACB-AOOOYVTPSA-N 0 0 375.288 2.218 10 0 GEAERN CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000130645815 643846740 /nfs/dbraw/zinc/84/67/40/643846740.db2.gz LMVWIXCRFLACQG-WCQYABFASA-N 0 0 399.285 2.454 10 0 GEAERN C[C@H]1COC[C@H](C)N1C(=O)COc1ccc(I)cc1 ZINC000130948314 643856640 /nfs/dbraw/zinc/85/66/40/643856640.db2.gz KJZAXMOBPYCLER-QWRGUYRKSA-N 0 0 375.206 2.306 10 0 GEAERN C[C@H]1CC[C@H](C(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)O1 ZINC000151383732 643941290 /nfs/dbraw/zinc/94/12/90/643941290.db2.gz ZGFVQLDNRKJHHV-NWDGAFQWSA-N 0 0 392.930 2.192 10 0 GEAERN NS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)/C=C/c1ccccc1)CCC2 ZINC000151860646 643956988 /nfs/dbraw/zinc/95/69/88/643956988.db2.gz HSOZBVADDAIOKR-ZRDIBKRKSA-N 0 0 378.475 2.087 10 0 GEAERN CN(C)S(=O)(=O)c1ccc(F)c(NS(=O)(=O)/C=C/c2ccccc2)c1 ZINC000151891649 643959176 /nfs/dbraw/zinc/95/91/76/643959176.db2.gz QBWFYQRJMFUZDV-ZHACJKMWSA-N 0 0 384.454 2.489 10 0 GEAERN S=c1n(Cc2cccs2)nnn1CN1CCO[C@H](c2nccs2)C1 ZINC000152226748 643964648 /nfs/dbraw/zinc/96/46/48/643964648.db2.gz JEMODWCPBDCKJT-LBPRGKRZSA-N 0 0 380.524 2.406 10 0 GEAERN S=c1oc(Cc2cccs2)nn1CN1CCO[C@@H](Cn2cccn2)C1 ZINC000152783683 643973194 /nfs/dbraw/zinc/97/31/94/643973194.db2.gz OFZNBVTWNBHFMN-CYBMUJFWSA-N 0 0 377.495 2.413 10 0 GEAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)c2cnc(NC)s2)CC1 ZINC000153016837 643976922 /nfs/dbraw/zinc/97/69/22/643976922.db2.gz MOVCORJFMJFKBS-UHFFFAOYSA-N 0 0 382.921 2.092 10 0 GEAERN Cn1cc(NC(=O)NCC(=O)OC2CCCCC2)cc(Br)c1=O ZINC000156311612 644087684 /nfs/dbraw/zinc/08/76/84/644087684.db2.gz MAAYFODUUVFCMY-UHFFFAOYSA-N 0 0 386.246 2.145 10 0 GEAERN CC(C)[C@H](O)CC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000156551581 644102848 /nfs/dbraw/zinc/10/28/48/644102848.db2.gz LNIWYTUVNXPDPW-TZMCWYRMSA-N 0 0 398.301 2.428 10 0 GEAERN CC(C)[C@@H](O)CC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000158539486 644148865 /nfs/dbraw/zinc/14/88/65/644148865.db2.gz DMXASWAIRRTTPC-LBPRGKRZSA-N 0 0 394.946 2.032 10 0 GEAERN CCc1nc2n(n1)C[C@@H](N[C@H](C(=O)OC)c1cccc(Br)c1)CC2 ZINC000158928092 644168316 /nfs/dbraw/zinc/16/83/16/644168316.db2.gz XKWQRXBLASZVSF-BBRMVZONSA-N 0 0 393.285 2.422 10 0 GEAERN CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2Br)co1 ZINC000159287289 644185055 /nfs/dbraw/zinc/18/50/55/644185055.db2.gz PTWDYQPRDDEHNV-VIFPVBQESA-N 0 0 387.255 2.441 10 0 GEAERN CCn1cnnc1[C@@H]1CCCN(C(=O)c2cc(Br)c(C)[nH]c2=O)C1 ZINC000163160250 644250710 /nfs/dbraw/zinc/25/07/10/644250710.db2.gz FRSGKSWHSZNJRF-LLVKDONJSA-N 0 0 394.273 2.489 10 0 GEAERN Cc1cc(Cl)c(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)cc1Cl ZINC000164454932 644264513 /nfs/dbraw/zinc/26/45/13/644264513.db2.gz QJMXIPRPHUGUST-GFCCVEGCSA-N 0 0 386.279 2.173 10 0 GEAERN C[C@H]1C[C@@H]1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br ZINC000171059849 644305412 /nfs/dbraw/zinc/30/54/12/644305412.db2.gz KJDSHCVAQJALTB-HZMBPMFUSA-N 0 0 387.299 2.372 10 0 GEAERN COC(=O)[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000171390675 644321041 /nfs/dbraw/zinc/32/10/41/644321041.db2.gz MLXJWBRGCUZPNE-QWRGUYRKSA-N 0 0 385.247 2.087 10 0 GEAERN Cc1c(Cl)cccc1-n1ccnc1S(=O)(=O)Cc1nnnn1C(C)C ZINC000171456653 644323258 /nfs/dbraw/zinc/32/32/58/644323258.db2.gz OZLSFFOIDNEGLH-UHFFFAOYSA-N 0 0 380.861 2.375 10 0 GEAERN CCc1nnc([C@@H]2CN(C(=O)c3cc(F)ccc3Br)CCO2)[nH]1 ZINC000173094758 644351200 /nfs/dbraw/zinc/35/12/00/644351200.db2.gz SKGLFKYSCOOZFC-LBPRGKRZSA-N 0 0 383.221 2.482 10 0 GEAERN CCc1nnc([C@@H]2CN(C(=O)c3cc(Br)cn3CC)CCO2)[nH]1 ZINC000173097140 644351868 /nfs/dbraw/zinc/35/18/68/644351868.db2.gz GFEWUHPWZGSXRM-LBPRGKRZSA-N 0 0 382.262 2.165 10 0 GEAERN CS(=O)(=O)CCn1ccc(NC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000173961878 644364929 /nfs/dbraw/zinc/36/49/29/644364929.db2.gz AQZAXTYBGFXWDA-MNOVXSKESA-N 0 0 382.408 2.170 10 0 GEAERN C[C@H](NC(=O)NCCOCCS(C)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000174553182 644377349 /nfs/dbraw/zinc/37/73/49/644377349.db2.gz CEXRPJDLXXXTJC-JTQLQIEISA-N 0 0 383.297 2.415 10 0 GEAERN C[C@@H](OC(=O)Cn1cnc2ccc(Br)cc2c1=O)[C@@H]1CCOC1 ZINC000175263478 644387874 /nfs/dbraw/zinc/38/78/74/644387874.db2.gz NEORBIRMJIRMHU-GHMZBOCLSA-N 0 0 381.226 2.127 10 0 GEAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2ccnc(Br)c2)ncn1 ZINC000176662688 644402256 /nfs/dbraw/zinc/40/22/56/644402256.db2.gz BDYYGEVKCJBXCF-LBPRGKRZSA-N 0 0 391.273 2.075 10 0 GEAERN O=C(NC[C@H]1CCCC[C@H]1O)c1cccn2c(I)cnc12 ZINC000177226293 644412232 /nfs/dbraw/zinc/41/22/32/644412232.db2.gz WAFYWUIYWQWVCD-ZYHUDNBSSA-N 0 0 399.232 2.220 10 0 GEAERN O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000177652124 644422914 /nfs/dbraw/zinc/42/29/14/644422914.db2.gz WZLVUVGJONGBNI-GFCCVEGCSA-N 0 0 383.235 2.056 10 0 GEAERN O=C(Nc1cncc(Br)c1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000179471645 644462963 /nfs/dbraw/zinc/46/29/63/644462963.db2.gz UHZHHYRPMRPKBV-ZDUSSCGKSA-N 0 0 376.210 2.423 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)C[C@H](O)c3cc(Cl)cc(Cl)c3)CCO2)[nH]1 ZINC000180067601 644486935 /nfs/dbraw/zinc/48/69/35/644486935.db2.gz KQWLISRXIYOUSH-UONOGXRCSA-N 0 0 385.251 2.444 10 0 GEAERN CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2Br)cn1 ZINC000184751714 645025560 /nfs/dbraw/zinc/02/55/60/645025560.db2.gz XJWRDUPKZXUMML-SNVBAGLBSA-N 0 0 398.282 2.243 10 0 GEAERN CCO[C@H]1C[C@H](NS(=O)(=O)c2cc(F)c(F)cc2F)C12CCOCC2 ZINC000185158335 645037660 /nfs/dbraw/zinc/03/76/60/645037660.db2.gz NROIPAABNQGMMW-GJZGRUSLSA-N 0 0 379.400 2.356 10 0 GEAERN Cc1cc(N2CC[C@H](NC(=O)C[C@@H](O)C(C)C)C2=O)ccc1Br ZINC000185414559 645043992 /nfs/dbraw/zinc/04/39/92/645043992.db2.gz GJDAEVMZFQQJKC-LSDHHAIUSA-N 0 0 383.286 2.386 10 0 GEAERN C[C@H](OC(=O)[C@@H]1CCCN1S(C)(=O)=O)c1ccccc1Br ZINC000186090254 645060266 /nfs/dbraw/zinc/06/02/66/645060266.db2.gz QLPUSXYJJWGLNN-GWCFXTLKSA-N 0 0 376.272 2.477 10 0 GEAERN Cc1cc(Br)ccc1S(=O)(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000186180493 645063009 /nfs/dbraw/zinc/06/30/09/645063009.db2.gz OALJZFHMUFRTQU-UHFFFAOYSA-N 0 0 387.299 2.047 10 0 GEAERN CCS(=O)(=O)c1c(Cl)cccc1CN1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000187077672 645082774 /nfs/dbraw/zinc/08/27/74/645082774.db2.gz YSGSWJKTGKJTAA-AWEZNQCLSA-N 0 0 384.889 2.134 10 0 GEAERN COc1cccc(S(=O)(=O)CCN2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000188061040 645106734 /nfs/dbraw/zinc/10/67/34/645106734.db2.gz YRAXNNMMJXPXTP-YJBOKZPZSA-N 0 0 381.519 2.238 10 0 GEAERN O=C(NCCSC(F)(F)F)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000192491677 645209586 /nfs/dbraw/zinc/20/95/86/645209586.db2.gz FZFHDUGCRLTFST-LBPRGKRZSA-N 0 0 382.429 2.209 10 0 GEAERN NS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H](O)c2ccc(Cl)cc2)c1 ZINC000192916730 645229551 /nfs/dbraw/zinc/22/95/51/645229551.db2.gz DSPDWKAHXWMQFJ-AWEZNQCLSA-N 0 0 389.260 2.104 10 0 GEAERN CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC000192925969 645230661 /nfs/dbraw/zinc/23/06/61/645230661.db2.gz CPTILMXSFFPBOX-SMDDNHRTSA-N 0 0 389.836 2.462 10 0 GEAERN CN(C)S(=O)(=O)c1ccc(N(C)S(=O)(=O)/C=C/c2ccccc2)cc1 ZINC000193283366 645261100 /nfs/dbraw/zinc/26/11/00/645261100.db2.gz ORPUCSGKKKQOOW-BUHFOSPRSA-N 0 0 380.491 2.374 10 0 GEAERN CC(=O)NCCc1ccc(S(=O)(=O)N[C@@H]2CCOc3ccccc32)s1 ZINC000193806839 645300576 /nfs/dbraw/zinc/30/05/76/645300576.db2.gz IAFCTDPAMMYMGH-OAHLLOKOSA-N 0 0 380.491 2.229 10 0 GEAERN COC(=O)[C@@H]1CCCCN1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000194009074 645307729 /nfs/dbraw/zinc/30/77/29/645307729.db2.gz NXUZTXHZELDTED-ZDUSSCGKSA-N 0 0 389.315 2.497 10 0 GEAERN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCCC[C@H]1O ZINC000195280377 645369443 /nfs/dbraw/zinc/36/94/43/645369443.db2.gz QIMLQPJDHLTASD-CMPLNLGQSA-N 0 0 393.259 2.248 10 0 GEAERN C[C@@H](NC(=O)COc1cccc(I)c1)[C@H]1CCCO1 ZINC000195345377 645373355 /nfs/dbraw/zinc/37/33/55/645373355.db2.gz UMKOAQRGTQCUCJ-ZWNOBZJWSA-N 0 0 375.206 2.354 10 0 GEAERN O=C(N1CCC(CNS(=O)(=O)/C=C\c2ccccc2)CC1)C(F)(F)F ZINC000209580681 645384079 /nfs/dbraw/zinc/38/40/79/645384079.db2.gz IKKQNOOBRKOVPQ-FLIBITNWSA-N 0 0 376.400 2.378 10 0 GEAERN O=C(NCCn1cc(Br)cn1)c1ccc(=O)n(-c2ccccc2)c1 ZINC000223298482 645386280 /nfs/dbraw/zinc/38/62/80/645386280.db2.gz PVHMJHJHWPDDAA-UHFFFAOYSA-N 0 0 387.237 2.227 10 0 GEAERN COCCNC(=O)CCNC(=O)c1cc2oc(Br)cc2c(OC)c1 ZINC000223640777 645387214 /nfs/dbraw/zinc/38/72/14/645387214.db2.gz ZQUFMRICNLSSFM-UHFFFAOYSA-N 0 0 399.241 2.086 10 0 GEAERN O=C(NC[C@H]1CCCC[C@@H]1O)c1cc(I)ccc1O ZINC000228128852 645395035 /nfs/dbraw/zinc/39/50/35/645395035.db2.gz VIOQSULMONAMCW-SKDRFNHKSA-N 0 0 375.206 2.278 10 0 GEAERN O=C(N[C@H]1CCCC[C@H]1CO)c1cc(I)ccc1O ZINC000236518700 645411122 /nfs/dbraw/zinc/41/11/22/645411122.db2.gz ZTYWJWOUSVMFNH-CABZTGNLSA-N 0 0 375.206 2.278 10 0 GEAERN COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000245396997 645452334 /nfs/dbraw/zinc/45/23/34/645452334.db2.gz NMSLMXCESYAZRN-BYCMXARLSA-N 0 0 381.270 2.201 10 0 GEAERN CCS(=O)(=O)NCCCN1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000245507775 645457076 /nfs/dbraw/zinc/45/70/76/645457076.db2.gz INBBXJFEOXGXLW-GJZGRUSLSA-N 0 0 380.432 2.143 10 0 GEAERN C[C@@H](C(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1)N1CCSCC1 ZINC000246352682 645480733 /nfs/dbraw/zinc/48/07/33/645480733.db2.gz WGLZPSWDHZVMGZ-OWCLPIDISA-N 0 0 383.583 2.063 10 0 GEAERN Cc1cc(C(=O)CN2CCS(=O)(=O)[C@@H](C)[C@H]2C)c(C)n1-c1nccs1 ZINC000246371688 645481298 /nfs/dbraw/zinc/48/12/98/645481298.db2.gz QUDPVKZVYQPGJC-OCCSQVGLSA-N 0 0 381.523 2.241 10 0 GEAERN COCCN1CCN(CC(=O)Nc2ccc(Br)cc2C)C[C@@H]1C ZINC000247535124 645512415 /nfs/dbraw/zinc/51/24/15/645512415.db2.gz CLBKZOVFWWUHLW-AWEZNQCLSA-N 0 0 384.318 2.349 10 0 GEAERN CCOCCN1CCN([C@@H](C(N)=O)c2ccc(Br)cc2)C[C@H]1C ZINC000247806252 645518843 /nfs/dbraw/zinc/51/88/43/645518843.db2.gz STCYVLHUMJNLNH-CZUORRHYSA-N 0 0 384.318 2.018 10 0 GEAERN O[C@H](CN1CCO[C@@H](Cn2cccn2)C1)c1ccc(F)c(Br)c1 ZINC000248420927 645524598 /nfs/dbraw/zinc/52/45/98/645524598.db2.gz ALYZRWCBARJBCC-CZUORRHYSA-N 0 0 384.249 2.219 10 0 GEAERN C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)[C@H]1CCCO[C@@H]1C ZINC000249040165 645544879 /nfs/dbraw/zinc/54/48/79/645544879.db2.gz ZASUQGAUBVAHEK-SUNKGSAMSA-N 0 0 385.258 2.179 10 0 GEAERN CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000255033828 645575479 /nfs/dbraw/zinc/57/54/79/645575479.db2.gz PRNFLSMUFYZPDH-QQBNSCQMSA-N 0 0 387.299 2.302 10 0 GEAERN C[C@H](CNS(=O)(=O)/C=C\c1ccc(Br)cc1)N1CCOCC1 ZINC000255740743 645585144 /nfs/dbraw/zinc/58/51/44/645585144.db2.gz KSMZXQMRPUMDCL-TUOYRWMMSA-N 0 0 389.315 2.060 10 0 GEAERN C[C@H]1OCCN[C@@H]1C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000261881445 645608467 /nfs/dbraw/zinc/60/84/67/645608467.db2.gz FKBZNAVVCLTBTK-PELKAZGASA-N 0 0 379.201 2.044 10 0 GEAERN C[C@H]1OCCN[C@@H]1C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000261937370 645613397 /nfs/dbraw/zinc/61/33/97/645613397.db2.gz MKRLJSIOBQCPIG-NKZPBKNFSA-N 0 0 377.243 2.409 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Cc2ccc(Br)cc2C)C1 ZINC000263200270 645657102 /nfs/dbraw/zinc/65/71/02/645657102.db2.gz UXNJYPQQIQRPKK-UHFFFAOYSA-N 0 0 383.286 2.354 10 0 GEAERN Cn1cc([C@H]2CS(=O)(=O)CCN2Cc2coc(-c3cccs3)n2)cn1 ZINC000279300067 646588440 /nfs/dbraw/zinc/58/84/40/646588440.db2.gz QEUUSUKPTLBJIB-CQSZACIVSA-N 0 0 378.479 2.108 10 0 GEAERN C[C@@H]1CCN(C(=O)CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c2ccccc2S1 ZINC000329204856 647319164 /nfs/dbraw/zinc/31/91/64/647319164.db2.gz XROIYXBHAZNQLT-JKIFEVAISA-N 0 0 380.535 2.023 10 0 GEAERN NC(=O)C1CC(NC(=O)c2scc(Br)c2Br)C1 ZINC000716663351 651474524 /nfs/dbraw/zinc/47/45/24/651474524.db2.gz WFGDLWXTFSDWKM-UHFFFAOYSA-N 0 0 382.077 2.267 10 0 GEAERN CN1C[C@H](CNC(=O)c2cc(Br)ccc2Br)CC1=O ZINC000618999895 652041639 /nfs/dbraw/zinc/04/16/39/652041639.db2.gz IIYYPABPMRXNEE-QMMMGPOBSA-N 0 0 390.075 2.420 10 0 GEAERN O=C(N[C@@H]1CCOC[C@@H]1O)c1cc(Br)ccc1Br ZINC000629241632 652482077 /nfs/dbraw/zinc/48/20/77/652482077.db2.gz ZBBWBAWNBYEYPI-MNOVXSKESA-N 0 0 379.048 2.091 10 0 GEAERN C[C@H](C(N)=O)N(C)S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000711185481 653323336 /nfs/dbraw/zinc/32/33/36/653323336.db2.gz YMBMUKINWSUJNJ-RXMQYKEDSA-N 0 0 390.086 2.250 10 0 GEAERN CCc1noc([C@@]2(O)CCN(S(=O)(=O)/C=C\c3ccccc3Cl)C2)n1 ZINC000779875790 653613994 /nfs/dbraw/zinc/61/39/94/653613994.db2.gz YPSKTKZOQLCQNP-BSDKJSHOSA-N 0 0 383.857 2.179 10 0 GEAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)c2nccnc2Cl)CC1 ZINC000906587636 654451323 /nfs/dbraw/zinc/45/13/23/654451323.db2.gz GQTZANMELWDHJV-UHFFFAOYSA-N 0 0 383.283 2.037 10 0 GEAERN O=C(c1csc(-c2ccc(Br)s2)n1)N1CCOC[C@H]1CO ZINC000912421091 654753293 /nfs/dbraw/zinc/75/32/93/654753293.db2.gz OEEUHMITANBXDH-MRVPVSSYSA-N 0 0 389.296 2.467 10 0 GEAERN C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@H](O)c1ccc(OS(=O)(=O)[O-])cc1 ZINC000504300753 231309007 /nfs/dbraw/zinc/30/90/07/231309007.db2.gz NMAZAVFSVLQMGG-ACJLOTCBSA-N 0 0 381.450 2.218 10 0 GEAERN O=C(C[C@@H]1COc2cc(S(=O)(=O)N3CCCC3)ccc2N1)N1CCCCC1 ZINC000015775078 210169501 /nfs/dbraw/zinc/16/95/01/210169501.db2.gz FVHLVRCUONZQAH-OAHLLOKOSA-N 0 0 393.509 2.047 10 0 GEAERN Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCCCc1ccccc1 ZINC000015062078 210145661 /nfs/dbraw/zinc/14/56/61/210145661.db2.gz ONLAILRVNJLKGP-OAQYLSRUSA-N 0 0 379.504 2.435 10 0 GEAERN COc1cccc([C@]2(CC(=O)N(C)Cc3ncccc3C)CC(=O)N(C)C2=O)c1 ZINC000014981621 210138451 /nfs/dbraw/zinc/13/84/51/210138451.db2.gz PPZWKEMWFDAEJR-QFIPXVFZSA-N 0 0 395.459 2.074 10 0 GEAERN COC(=O)[C@@H]1C[C@H](NC(=O)c2cccc(OC)c2)CN1Cc1cccc(F)c1 ZINC000014967442 210135129 /nfs/dbraw/zinc/13/51/29/210135129.db2.gz UUMAWLOVLRYPGQ-HKUYNNGSSA-N 0 0 386.423 2.380 10 0 GEAERN COc1ccc(CCN2C[C@H](C(=O)NCc3nc(C)cc(C)n3)CCC2=O)cc1 ZINC000012432792 209953827 /nfs/dbraw/zinc/95/38/27/209953827.db2.gz ULQFRHKFCCZHRZ-GOSISDBHSA-N 0 0 396.491 2.200 10 0 GEAERN COc1ccc(C[C@]2(CCC(=O)NCCCO)CCC(=O)N2)c2ccccc12 ZINC000012055522 209901111 /nfs/dbraw/zinc/90/11/11/209901111.db2.gz NLONTAYCHLNLKE-QFIPXVFZSA-N 0 0 384.476 2.319 10 0 GEAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@H](C)c1ccccc1Br ZINC000151424969 531499953 /nfs/dbraw/zinc/49/99/53/531499953.db2.gz WQQRFXBIYLGXNM-MRVPVSSYSA-N 0 0 387.255 2.489 10 0 GEAERN CN(C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000151941088 531523454 /nfs/dbraw/zinc/52/34/54/531523454.db2.gz QNVSWQHOQWZQAY-VXGBXAGGSA-N 0 0 385.452 2.173 10 0 GEAERN COc1cc(C(=O)N[C@@H]2CCCc3cc(F)ccc32)sc1S(N)(=O)=O ZINC000153171314 531591239 /nfs/dbraw/zinc/59/12/39/531591239.db2.gz VVKXOHLGEWMQCX-GFCCVEGCSA-N 0 0 384.454 2.351 10 0 GEAERN C[C@@H](NC(=O)c1cccc(C[S@](C)=O)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000025994634 531615686 /nfs/dbraw/zinc/61/56/86/531615686.db2.gz OGZDYZDVVGJXFP-YEBMWUKDSA-N 0 0 379.503 2.460 10 0 GEAERN Cc1nnc([C@@H]2CN(Cc3cc(Br)cc4c3OCC4)CCO2)[nH]1 ZINC000153993910 531617463 /nfs/dbraw/zinc/61/74/63/531617463.db2.gz AEPLNFLMAUOKJQ-AWEZNQCLSA-N 0 0 379.258 2.384 10 0 GEAERN O=C(CNC(=O)c1ccc(Br)cc1)N1CCC(c2cc[nH]n2)CC1 ZINC000154996322 531647058 /nfs/dbraw/zinc/64/70/58/531647058.db2.gz UAROUEKKGVGHQT-UHFFFAOYSA-N 0 0 391.269 2.308 10 0 GEAERN C[C@H](NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)c1cccs1 ZINC000030322233 531635428 /nfs/dbraw/zinc/63/54/28/531635428.db2.gz DHIRUIZJVZJKRJ-ZDUSSCGKSA-N 0 0 380.491 2.260 10 0 GEAERN C[C@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1cccc(Br)c1 ZINC000030465303 531637481 /nfs/dbraw/zinc/63/74/81/531637481.db2.gz NEUTUJUFMFRFAH-DYZYQPBXSA-N 0 0 394.269 2.347 10 0 GEAERN C[C@H](NC(=O)Cn1nc2ccccn2c1=O)c1cccc(Br)c1 ZINC000030464412 531637804 /nfs/dbraw/zinc/63/78/04/531637804.db2.gz PVNDNUPKVHBHOH-NSHDSACASA-N 0 0 375.226 2.136 10 0 GEAERN O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)[C@H]1CNC(=O)C1 ZINC000155076368 531653956 /nfs/dbraw/zinc/65/39/56/531653956.db2.gz RBBZGUNDKRKZEW-SECBINFHSA-N 0 0 377.198 2.106 10 0 GEAERN Cc1noc([C@H]2COCCN2C(=O)Cc2ccc(F)c(Br)c2)n1 ZINC000155383019 531679931 /nfs/dbraw/zinc/67/99/31/531679931.db2.gz NMEWJBWBUOZHBS-CYBMUJFWSA-N 0 0 384.205 2.422 10 0 GEAERN COc1ccc(CCC(=O)N2CCC[C@@H]2C(=O)N(C)C)cc1Br ZINC000044611471 531682272 /nfs/dbraw/zinc/68/22/72/531682272.db2.gz CXWJHKMBNXTPFE-CQSZACIVSA-N 0 0 383.286 2.470 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1cccc(C)c1Br)CC2 ZINC000156207151 531721310 /nfs/dbraw/zinc/72/13/10/531721310.db2.gz RDYVAJSLDYFWFP-NSHDSACASA-N 0 0 399.314 2.205 10 0 GEAERN C[C@H]1CC[C@@H](C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)O1 ZINC000157547826 531746361 /nfs/dbraw/zinc/74/63/61/531746361.db2.gz JZJQCTQXHXGZPQ-ZFWWWQNUSA-N 0 0 386.539 2.149 10 0 GEAERN c1csc([C@@H]2CN(CCCN3CCO[C@H](c4nccs4)C3)CCO2)n1 ZINC000157751666 531752696 /nfs/dbraw/zinc/75/26/96/531752696.db2.gz XSNOCQOSDWXGID-GJZGRUSLSA-N 0 0 380.539 2.437 10 0 GEAERN COC(=O)C[C@H](NC(=O)c1ccc(=O)[nH]c1)c1cccc(Br)c1 ZINC000053413194 531762592 /nfs/dbraw/zinc/76/25/92/531762592.db2.gz QAXNKIUOTAJVRJ-ZDUSSCGKSA-N 0 0 379.210 2.172 10 0 GEAERN COc1ccc(Cl)c(S(=O)(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000159351716 531780615 /nfs/dbraw/zinc/78/06/15/531780615.db2.gz IONQREPLNAFTRT-NSHDSACASA-N 0 0 384.889 2.357 10 0 GEAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)c(Br)c1 ZINC000162750434 531848912 /nfs/dbraw/zinc/84/89/12/531848912.db2.gz WIUCFCZEXJKFBW-NSHDSACASA-N 0 0 389.633 2.205 10 0 GEAERN CC(C)[C@H](O)CC(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000162885051 531853647 /nfs/dbraw/zinc/85/36/47/531853647.db2.gz RWLZOACYGGRIGO-MRXNPFEDSA-N 0 0 385.302 2.309 10 0 GEAERN O=C(Nc1cc(Cl)ccc1Br)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000163330228 531856950 /nfs/dbraw/zinc/85/69/50/531856950.db2.gz XEYCRWDLTUHFNZ-PWSUYJOCSA-N 0 0 375.650 2.461 10 0 GEAERN COC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000163572054 531861333 /nfs/dbraw/zinc/86/13/33/531861333.db2.gz GNHXPLPCYUFDSS-LBPRGKRZSA-N 0 0 387.205 2.081 10 0 GEAERN C[C@H](NC(=O)NCCS(=O)(=O)NCC1CCC1)c1ccc(Cl)s1 ZINC000069064899 531908321 /nfs/dbraw/zinc/90/83/21/531908321.db2.gz HKOPBZFVSFUCOS-JTQLQIEISA-N 0 0 379.935 2.481 10 0 GEAERN CN(Cc1cc(Br)cs1)C(=O)CN1CCC[C@@H](n2cncn2)C1 ZINC000171526050 531908536 /nfs/dbraw/zinc/90/85/36/531908536.db2.gz VUJISWALDXUJSF-CYBMUJFWSA-N 0 0 398.330 2.398 10 0 GEAERN NC(=O)CN(Cc1ccccc1)C[C@@H](O)COc1cccc(Br)c1 ZINC000171828833 531917974 /nfs/dbraw/zinc/91/79/74/531917974.db2.gz PTLVAVOGMSYFRJ-MRXNPFEDSA-N 0 0 393.281 2.176 10 0 GEAERN CCn1cc(Br)cc1C(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000171856680 531920511 /nfs/dbraw/zinc/92/05/11/531920511.db2.gz AUOLHFPBEOMBJS-LLVKDONJSA-N 0 0 396.289 2.481 10 0 GEAERN Cc1ncc(CN2CCN(C(=O)C(=O)Nc3ccc(Cl)cc3)CC2)s1 ZINC000171863106 531922453 /nfs/dbraw/zinc/92/24/53/531922453.db2.gz JPEDVGRYFWPPCN-UHFFFAOYSA-N 0 0 378.885 2.388 10 0 GEAERN Cc1cnn(C[C@H]2CN(C(=O)Cc3ccccc3Br)CCO2)c1 ZINC000112063175 531945045 /nfs/dbraw/zinc/94/50/45/531945045.db2.gz RMLCDHDCFWOOSA-OAHLLOKOSA-N 0 0 378.270 2.424 10 0 GEAERN C[C@@H](NC(=O)NC[C@](C)(O)c1cccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000172360908 531949433 /nfs/dbraw/zinc/94/94/33/531949433.db2.gz TYOZJSMMONSURW-PXAZEXFGSA-N 0 0 382.507 2.420 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)COc1ccc(Br)cc1F)CC2 ZINC000114870563 531957678 /nfs/dbraw/zinc/95/76/78/531957678.db2.gz DAZDDDAJXBOPNA-NSHDSACASA-N 0 0 397.248 2.252 10 0 GEAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)CC2 ZINC000114875046 531957851 /nfs/dbraw/zinc/95/78/51/531957851.db2.gz FKKQQMWSKKLDJS-SNVBAGLBSA-N 0 0 375.281 2.441 10 0 GEAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCc2cccc(Br)c2C1 ZINC000172605418 531960615 /nfs/dbraw/zinc/96/06/15/531960615.db2.gz CAMWZFQCKQLWDM-GFCCVEGCSA-N 0 0 376.258 2.123 10 0 GEAERN CCN(CC)S(=O)(=O)CC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000114168396 531955874 /nfs/dbraw/zinc/95/58/74/531955874.db2.gz CZDZZYPFBCGZRS-LLVKDONJSA-N 0 0 382.404 2.434 10 0 GEAERN C[C@@H](NC(=O)c1c[nH]c(=O)c(Br)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000172994108 531979061 /nfs/dbraw/zinc/97/90/61/531979061.db2.gz KQJURNYTTGRPHZ-SECBINFHSA-N 0 0 399.266 2.032 10 0 GEAERN Cc1oc(C(=O)N[C@@H](C)c2ccccc2Br)cc1S(N)(=O)=O ZINC000120154847 531974811 /nfs/dbraw/zinc/97/48/11/531974811.db2.gz QFMXDWRTRUOSFP-QMMMGPOBSA-N 0 0 387.255 2.489 10 0 GEAERN C[C@H](NC(=O)c1c[nH]c(=O)c(Br)c1)c1ccc2c(c1)OCCO2 ZINC000172959027 531975087 /nfs/dbraw/zinc/97/50/87/531975087.db2.gz GCPOLHZASFAPQY-VIFPVBQESA-N 0 0 379.210 2.400 10 0 GEAERN COC(=O)[C@@H]1CCCCN1C(=O)Cc1ccccc1I ZINC000120260918 531980700 /nfs/dbraw/zinc/98/07/00/531980700.db2.gz HRFVUINVYNCVNG-ZDUSSCGKSA-N 0 0 387.217 2.388 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)Cc3ccc(F)c(Br)c3)CCO2)[nH]1 ZINC000173087788 531986283 /nfs/dbraw/zinc/98/62/83/531986283.db2.gz WJXOISSILAMZOY-CYBMUJFWSA-N 0 0 383.221 2.157 10 0 GEAERN CC(=O)N[C@H]1CCCN(CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000120815626 531995765 /nfs/dbraw/zinc/99/57/65/531995765.db2.gz QKZGUEKSQDHEFN-HNNXBMFYSA-N 0 0 382.302 2.008 10 0 GEAERN COC(=O)[C@H](c1cccc(Br)c1)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000121168432 532017099 /nfs/dbraw/zinc/01/70/99/532017099.db2.gz FFEAKBMBTJDDSD-JQFCIGGWSA-N 0 0 397.313 2.316 10 0 GEAERN O=C(CN1C(=S)N=NC1c1cccs1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000121320253 532023339 /nfs/dbraw/zinc/02/33/39/532023339.db2.gz CACXHEMHMOSTKB-SJCJKPOMSA-N 0 0 378.523 2.449 10 0 GEAERN COc1ccc(Br)cc1CC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000173675032 532025673 /nfs/dbraw/zinc/02/56/73/532025673.db2.gz PZBJMIUAZPZXMV-OAHLLOKOSA-N 0 0 394.269 2.124 10 0 GEAERN COc1ccc(CNC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1Br ZINC000173799205 532033161 /nfs/dbraw/zinc/03/31/61/532033161.db2.gz HCXKAMGLWREHSH-CQSZACIVSA-N 0 0 398.301 2.074 10 0 GEAERN Cc1nc(CN2CCCN(S(=O)(=O)c3cccc(Cl)c3C)CC2)no1 ZINC000173826602 532035691 /nfs/dbraw/zinc/03/56/91/532035691.db2.gz XGXWJDLBRBMJBK-UHFFFAOYSA-N 0 0 384.889 2.236 10 0 GEAERN COc1cc(Br)ccc1C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000173845322 532037277 /nfs/dbraw/zinc/03/72/77/532037277.db2.gz ABLHHSITXDCFEE-IUODEOHRSA-N 0 0 383.286 2.250 10 0 GEAERN C[C@@H]1CN(C(=O)c2n[nH]c3ccc(Br)cc32)C[C@H]1N1CCOCC1 ZINC000173889293 532039886 /nfs/dbraw/zinc/03/98/86/532039886.db2.gz QMZOHCIYXZYPMG-IAQYHMDHSA-N 0 0 393.285 2.118 10 0 GEAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000121706925 532042166 /nfs/dbraw/zinc/04/21/66/532042166.db2.gz ZOJXMCSQZUKZCB-GXTWGEPZSA-N 0 0 385.251 2.416 10 0 GEAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000121707160 532042263 /nfs/dbraw/zinc/04/22/63/532042263.db2.gz ZOJXMCSQZUKZCB-JSGCOSHPSA-N 0 0 385.251 2.416 10 0 GEAERN CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCC[C@H](n2cncn2)C1 ZINC000173984287 532044224 /nfs/dbraw/zinc/04/42/24/532044224.db2.gz HCQFWCLKYKBJCR-LBPRGKRZSA-N 0 0 387.868 2.084 10 0 GEAERN C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000122609720 532077115 /nfs/dbraw/zinc/07/71/15/532077115.db2.gz COTQWNIFNOIJSB-AAEUAGOBSA-N 0 0 393.336 2.283 10 0 GEAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000174830251 532080265 /nfs/dbraw/zinc/08/02/65/532080265.db2.gz AXBHCSGLWBLHDY-XHDPSFHLSA-N 0 0 391.269 2.351 10 0 GEAERN CN(C[C@@H](c1cccs1)N1CCOCC1)S(=O)(=O)N1CCCCCC1 ZINC000175212796 532092484 /nfs/dbraw/zinc/09/24/84/532092484.db2.gz QUPJEBLMFFEIKL-INIZCTEOSA-N 0 0 387.571 2.174 10 0 GEAERN O=C(c1sccc1S(=O)(=O)C(F)F)N1CC[C@@H](Oc2cccnc2)C1 ZINC000123107502 532093062 /nfs/dbraw/zinc/09/30/62/532093062.db2.gz SCFOJQRSDSQQQD-LLVKDONJSA-N 0 0 388.417 2.433 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)NCc3cc(F)ccc3Br)CCO2)[nH]1 ZINC000175428020 532102963 /nfs/dbraw/zinc/10/29/63/532102963.db2.gz CQPAPCYEPRFWBM-CYBMUJFWSA-N 0 0 398.236 2.298 10 0 GEAERN COCCn1ccc(NC(=O)C(=O)N[C@H](C)c2cccc(Br)c2)n1 ZINC000123654914 532105565 /nfs/dbraw/zinc/10/55/65/532105565.db2.gz JSTDBPIWUKQUBJ-LLVKDONJSA-N 0 0 395.257 2.108 10 0 GEAERN C[C@@H](NC(=O)c1ccc2ncc(I)n2c1)[C@@H]1CCCO1 ZINC000175522657 532106326 /nfs/dbraw/zinc/10/63/26/532106326.db2.gz HZLFIXKXWGMOPY-KOLCDFICSA-N 0 0 385.205 2.236 10 0 GEAERN CC(=O)N[C@@H]1CCCN(C(=O)NCCOc2cccc(Br)c2)C1 ZINC000123897086 532110225 /nfs/dbraw/zinc/11/02/25/532110225.db2.gz QGGWVXJFOUMUTO-CQSZACIVSA-N 0 0 384.274 2.138 10 0 GEAERN C[C@H]1CN(C(=O)NCc2sccc2Br)C[C@@H]1N1CCOCC1 ZINC000175730767 532113276 /nfs/dbraw/zinc/11/32/76/532113276.db2.gz ZHZIZFMTQYBFIV-AAEUAGOBSA-N 0 0 388.331 2.373 10 0 GEAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)Cc3cc(Cl)ccc3F)CCO2)c1 ZINC000124073762 532114127 /nfs/dbraw/zinc/11/41/27/532114127.db2.gz YEANTZKZZDLAKY-OAHLLOKOSA-N 0 0 387.864 2.215 10 0 GEAERN C[C@H]1CN(C(=O)NCc2nc(C(F)(F)F)cs2)C[C@@H]1N1CCOCC1 ZINC000175807174 532115905 /nfs/dbraw/zinc/11/59/05/532115905.db2.gz ALRCBWRXJYOUQW-QWRGUYRKSA-N 0 0 378.420 2.024 10 0 GEAERN O=C(CNC(=O)c1ccc(Br)o1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000176463371 532138842 /nfs/dbraw/zinc/13/88/42/532138842.db2.gz XAEMKKUHFKTOPN-NSHDSACASA-N 0 0 381.230 2.249 10 0 GEAERN COC(=O)[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3c(Br)cccc23)C1 ZINC000176109560 532126974 /nfs/dbraw/zinc/12/69/74/532126974.db2.gz ZVEMPQVCCIVLII-SNVBAGLBSA-N 0 0 393.237 2.316 10 0 GEAERN COc1nc(N2CCC[C@H](Cn3nc(C)nc3C)C2)ncc1Br ZINC000176250874 532131320 /nfs/dbraw/zinc/13/13/20/532131320.db2.gz XJJGESMFJZOPNV-LBPRGKRZSA-N 0 0 381.278 2.373 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000176282942 532132333 /nfs/dbraw/zinc/13/23/33/532132333.db2.gz SWQVNCYDGUMOSC-CYBMUJFWSA-N 0 0 382.251 2.274 10 0 GEAERN CC(C)c1n[nH]c(C(=O)N2CCC[C@@H](Cn3cncn3)C2)c1Br ZINC000126772675 532150645 /nfs/dbraw/zinc/15/06/45/532150645.db2.gz MXUMUUMQRADKLZ-LLVKDONJSA-N 0 0 381.278 2.440 10 0 GEAERN O=C(c1ccc(I)cc1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127056947 532152897 /nfs/dbraw/zinc/15/28/97/532152897.db2.gz IODGLQAECZFTAO-GFCCVEGCSA-N 0 0 396.232 2.435 10 0 GEAERN O[C@H](COc1cccc(Br)c1)CN1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000176906541 532155001 /nfs/dbraw/zinc/15/50/01/532155001.db2.gz LVSBIJHEIPKXMR-XIRDDKMYSA-N 0 0 386.286 2.069 10 0 GEAERN COc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCCn3ncnc32)cc1Cl ZINC000176747429 532148048 /nfs/dbraw/zinc/14/80/48/532148048.db2.gz QKCBOHLASVZTPB-SNVBAGLBSA-N 0 0 377.253 2.407 10 0 GEAERN COc1ccc(CNC(=O)N[C@@H]2CCCn3ncnc32)cc1Br ZINC000177332550 532168484 /nfs/dbraw/zinc/16/84/84/532168484.db2.gz WGAMZGKQGNQCHB-GFCCVEGCSA-N 0 0 380.246 2.384 10 0 GEAERN C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)C[C@@H]1N1CCOCC1 ZINC000176997055 532158615 /nfs/dbraw/zinc/15/86/15/532158615.db2.gz WLJBXNUDMQYFFP-FZMZJTMJSA-N 0 0 379.309 2.335 10 0 GEAERN COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C)c(Br)c2)C1 ZINC000177137349 532162254 /nfs/dbraw/zinc/16/22/54/532162254.db2.gz HJPSZTZUPOCBNP-LLVKDONJSA-N 0 0 383.242 2.108 10 0 GEAERN Cc1cnn(C[C@H]2CN(c3cc(Br)cc(F)c3C(N)=O)CCO2)c1 ZINC000129185406 532174115 /nfs/dbraw/zinc/17/41/15/532174115.db2.gz VRQVFMQXWLAFLN-GFCCVEGCSA-N 0 0 397.248 2.097 10 0 GEAERN O=C(Nc1ccccc1Br)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000177523035 532174206 /nfs/dbraw/zinc/17/42/06/532174206.db2.gz ZGVWAJXSSCPTDP-GFCCVEGCSA-N 0 0 396.266 2.444 10 0 GEAERN Cc1cccc(C(=O)N[C@H]2CCCn3ncnc32)c1I ZINC000177526930 532174637 /nfs/dbraw/zinc/17/46/37/532174637.db2.gz FLGZXUDIPBSLNP-NSHDSACASA-N 0 0 382.205 2.456 10 0 GEAERN COCc1c(Br)cccc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000177547425 532175409 /nfs/dbraw/zinc/17/54/09/532175409.db2.gz FBHFZUVDRWIKTH-SMDDNHRTSA-N 0 0 399.285 2.201 10 0 GEAERN O=C(N[C@@H]1CCCn2ncnc21)c1ccn(-c2cccc(Br)c2)n1 ZINC000177617590 532177329 /nfs/dbraw/zinc/17/73/29/532177329.db2.gz NMLHSHDQDMXZTM-CYBMUJFWSA-N 0 0 387.241 2.491 10 0 GEAERN CC(C)c1nnc(Cn2nnc(Cc3cccc(Br)c3)n2)n1C ZINC000179431523 532231769 /nfs/dbraw/zinc/23/17/69/532231769.db2.gz NIETVAXKIWUQQH-UHFFFAOYSA-N 0 0 376.262 2.327 10 0 GEAERN Cn1cc(CN2CCCN(C(=O)c3ccc(Br)c(O)c3)CC2)cn1 ZINC000133419354 532234395 /nfs/dbraw/zinc/23/43/95/532234395.db2.gz UONJIGVCHNWWTD-UHFFFAOYSA-N 0 0 393.285 2.236 10 0 GEAERN CNC(=O)[C@H](NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)C(C)C ZINC000179127548 532222481 /nfs/dbraw/zinc/22/24/81/532222481.db2.gz XBYDJRZVKNJFBH-SMDDNHRTSA-N 0 0 386.279 2.233 10 0 GEAERN Cc1nc(CN2CCCN(S(=O)(=O)c3c(F)cccc3Cl)CC2)no1 ZINC000132901947 532224036 /nfs/dbraw/zinc/22/40/36/532224036.db2.gz VENNJLZUVZJCBV-UHFFFAOYSA-N 0 0 388.852 2.067 10 0 GEAERN CCOC(=O)[C@H](NC[C@H]1CN(C)CCO1)c1ccc(Br)cc1F ZINC000132993052 532224838 /nfs/dbraw/zinc/22/48/38/532224838.db2.gz PEXCWKYXKBWUPF-SWLSCSKDSA-N 0 0 389.265 2.113 10 0 GEAERN CS(=O)(=O)CCCC(=O)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000179952223 532251511 /nfs/dbraw/zinc/25/15/11/532251511.db2.gz NCSATUYORGBSEY-UONOGXRCSA-N 0 0 379.400 2.165 10 0 GEAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000180074486 532255982 /nfs/dbraw/zinc/25/59/82/532255982.db2.gz AGMLBONQNOCOTA-PRHODGIISA-N 0 0 391.212 2.333 10 0 GEAERN CCn1c(C)nnc1CN(C)S(=O)(=O)c1ccc(Br)c(C)c1 ZINC000180373744 532269538 /nfs/dbraw/zinc/26/95/38/532269538.db2.gz KWTOVGUXNHVPEP-UHFFFAOYSA-N 0 0 387.303 2.498 10 0 GEAERN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)C[C@@H](O)C(F)(F)F ZINC000180812125 532281845 /nfs/dbraw/zinc/28/18/45/532281845.db2.gz UTHHSXXRNYCXGK-CHWSQXEVSA-N 0 0 380.794 2.476 10 0 GEAERN COc1cc(C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)sc1Br ZINC000136434839 532284940 /nfs/dbraw/zinc/28/49/40/532284940.db2.gz ULSVVDDFDDYBQM-SECBINFHSA-N 0 0 387.259 2.159 10 0 GEAERN COc1cc(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)sc1Br ZINC000136546774 532285268 /nfs/dbraw/zinc/28/52/68/532285268.db2.gz BADLXMMGOTVSQY-GHMZBOCLSA-N 0 0 389.315 2.312 10 0 GEAERN C[C@@H]1CN(C(=O)[C@@H]2COc3ccc(Br)cc32)C[C@@H]1N1CCOCC1 ZINC000136545263 532285927 /nfs/dbraw/zinc/28/59/27/532285927.db2.gz XBEGBDRWBFULIO-WQVCFCJDSA-N 0 0 395.297 2.104 10 0 GEAERN Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000180981525 532287109 /nfs/dbraw/zinc/28/71/09/532287109.db2.gz SQOWUNZQYFKMAU-CYBMUJFWSA-N 0 0 399.314 2.450 10 0 GEAERN O=S(=O)(c1cccc(Br)c1)N1CCC[C@H](Cn2cncn2)C1 ZINC000180978310 532287226 /nfs/dbraw/zinc/28/72/26/532287226.db2.gz INJXHFTXTUPOIX-GFCCVEGCSA-N 0 0 385.287 2.142 10 0 GEAERN CCc1nnc([C@@H]2CN(C(=O)NCc3ccc(Br)cc3)CCO2)[nH]1 ZINC000139155536 532293241 /nfs/dbraw/zinc/29/32/41/532293241.db2.gz RWTOGEXDFHWADX-ZDUSSCGKSA-N 0 0 394.273 2.413 10 0 GEAERN CN(C)S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2c2nccs2)n(C)c1 ZINC000181516648 532300270 /nfs/dbraw/zinc/30/02/70/532300270.db2.gz AYAMRARRAAHYHM-CYBMUJFWSA-N 0 0 382.511 2.099 10 0 GEAERN CC(C)[N@H+]1C[C@H](NC(=O)C(=O)Nc2cc(Br)ccc2F)[C@@H](C)C1 ZINC000150772744 532301368 /nfs/dbraw/zinc/30/13/68/532301368.db2.gz DPKUVKKWHNUVNA-HZMBPMFUSA-N 0 0 386.265 2.372 10 0 GEAERN C[C@@H](NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1nnc2n1CCCC2 ZINC000150974554 532305142 /nfs/dbraw/zinc/30/51/42/532305142.db2.gz MWYWZXKVLXHONX-SNVBAGLBSA-N 0 0 382.873 2.162 10 0 GEAERN O=C(CCNC(=O)c1ccc(Br)cc1)N[C@@H]1CCCC[C@H]1CO ZINC000150995219 532305478 /nfs/dbraw/zinc/30/54/78/532305478.db2.gz ZHVOLKQKTOLLQL-DZGCQCFKSA-N 0 0 383.286 2.236 10 0 GEAERN COCCN1CCN(C(=O)NCCOc2ncc(Cl)cc2Cl)C[C@@H]1C ZINC000151034187 532306697 /nfs/dbraw/zinc/30/66/97/532306697.db2.gz YRKGOYYJXGRNDV-LBPRGKRZSA-N 0 0 391.299 2.129 10 0 GEAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(Br)cnc1N(C)C ZINC000151197807 532308111 /nfs/dbraw/zinc/30/81/11/532308111.db2.gz IMVLZGVHGIXESF-GFCCVEGCSA-N 0 0 393.289 2.329 10 0 GEAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000181101805 532290492 /nfs/dbraw/zinc/29/04/92/532290492.db2.gz PSBXSOOAKPDRPC-MFKMUULPSA-N 0 0 381.226 2.010 10 0 GEAERN Cc1cc(Br)ccc1CC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000182224081 532310603 /nfs/dbraw/zinc/31/06/03/532310603.db2.gz JXZGKGOUHMYAJD-PBHICJAKSA-N 0 0 381.314 2.479 10 0 GEAERN Cc1csc([C@@H](C)CNC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000182802391 532317876 /nfs/dbraw/zinc/31/78/76/532317876.db2.gz KJAJNGLNQVTOEP-CMPLNLGQSA-N 0 0 382.511 2.263 10 0 GEAERN COc1ccc([C@H](C)NS(=O)(=O)c2cnn(CC(F)F)c2)cc1OC ZINC000186509873 532341089 /nfs/dbraw/zinc/34/10/89/532341089.db2.gz OKYWBUUZSRLXOT-JTQLQIEISA-N 0 0 375.397 2.205 10 0 GEAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2ccccc2C(F)(F)F)n1 ZINC000183744571 532328951 /nfs/dbraw/zinc/32/89/51/532328951.db2.gz LXCZCRILBKSHHC-LLVKDONJSA-N 0 0 377.344 2.159 10 0 GEAERN COc1ccccc1S(=O)(=O)CCCN1CCO[C@H](c2nccs2)C1 ZINC000184212632 532331525 /nfs/dbraw/zinc/33/15/25/532331525.db2.gz ZYWIHVIEZYLSEB-HNNXBMFYSA-N 0 0 382.507 2.389 10 0 GEAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1cc(C)cc(Br)c1)CC2 ZINC000187223136 532343571 /nfs/dbraw/zinc/34/35/71/532343571.db2.gz DKACUTXUWDDOIZ-GFCCVEGCSA-N 0 0 399.314 2.205 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)NCc2cc(F)cc(Br)c2)CC1 ZINC000184928035 532335862 /nfs/dbraw/zinc/33/58/62/532335862.db2.gz GOZUKBKKAXLMEJ-HNNXBMFYSA-N 0 0 388.281 2.186 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)Cc3ccc(F)cc3Br)CCO2)[nH]1 ZINC000188178372 532347111 /nfs/dbraw/zinc/34/71/11/532347111.db2.gz GWKDVLUFMNCUDC-ZDUSSCGKSA-N 0 0 383.221 2.157 10 0 GEAERN COC(=O)[C@@]1(C)CCCN1S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000188201947 532347251 /nfs/dbraw/zinc/34/72/51/532347251.db2.gz MFIXMGJZZLXONG-CYBMUJFWSA-N 0 0 398.225 2.444 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)Cc3ccc(C)c(Br)c3)CCO2)[nH]1 ZINC000188199779 532347253 /nfs/dbraw/zinc/34/72/53/532347253.db2.gz XAEKZWCOXWFNCB-CQSZACIVSA-N 0 0 379.258 2.327 10 0 GEAERN Cc1ccc(CC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cc1Br ZINC000188203572 532347263 /nfs/dbraw/zinc/34/72/63/532347263.db2.gz ULKHIQFARISDMM-WMLDXEAASA-N 0 0 381.314 2.479 10 0 GEAERN Cc1noc([C@@H]2COCCN2Cc2cc(Br)c3c(c2)OCCO3)n1 ZINC000188480288 532348437 /nfs/dbraw/zinc/34/84/37/532348437.db2.gz QKBJFNJNKNKXHV-ZDUSSCGKSA-N 0 0 396.241 2.485 10 0 GEAERN O=C(NC1CN(C(=O)c2ccc(I)cc2)C1)C1CCC1 ZINC000188501774 532348586 /nfs/dbraw/zinc/34/85/86/532348586.db2.gz SIESWQLDPOSDLY-UHFFFAOYSA-N 0 0 384.217 2.032 10 0 GEAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3nc(Br)cs3)CCO2)n1 ZINC000188860369 532349880 /nfs/dbraw/zinc/34/98/80/532349880.db2.gz ZBBGRSVRRNMDKX-LLVKDONJSA-N 0 0 385.287 2.260 10 0 GEAERN Cc1c(C(=O)N2CCCNC(=O)[C@H]2C)cnn1-c1cccc(Br)c1 ZINC000188871798 532349977 /nfs/dbraw/zinc/34/99/77/532349977.db2.gz XKLJWNHOXJWXIE-GFCCVEGCSA-N 0 0 391.269 2.294 10 0 GEAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cc(Cl)c(C)c(Cl)c2)CC1 ZINC000189453193 532352212 /nfs/dbraw/zinc/35/22/12/532352212.db2.gz SUFILIZJBJRLGV-CYBMUJFWSA-N 0 0 388.295 2.155 10 0 GEAERN Cc1cc(I)cc(C(=O)N2CC(NC(=O)C3CC3)C2)c1C ZINC000189490020 532352377 /nfs/dbraw/zinc/35/23/77/532352377.db2.gz DQJDAHLRLMYRST-UHFFFAOYSA-N 0 0 398.244 2.259 10 0 GEAERN CCc1nnc([C@H]2CN(S(=O)(=O)Cc3ccc(Cl)c(F)c3)CCO2)[nH]1 ZINC000189672152 532353207 /nfs/dbraw/zinc/35/32/07/532353207.db2.gz SQMUFCSAALLEML-CYBMUJFWSA-N 0 0 388.852 2.063 10 0 GEAERN CCOc1cc(Br)c(CC(=O)N2CC(NC(C)=O)C2)cc1OCC ZINC000190510175 532356466 /nfs/dbraw/zinc/35/64/66/532356466.db2.gz SZQBEFMBGIEBFU-UHFFFAOYSA-N 0 0 399.285 2.136 10 0 GEAERN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCCn1cc(C)cn1 ZINC000190672553 532357360 /nfs/dbraw/zinc/35/73/60/532357360.db2.gz PDYDKHOETQXJDE-ZDUSSCGKSA-N 0 0 387.889 2.237 10 0 GEAERN C[C@@H](NC(=O)C(=O)Nc1cc(Br)c(F)cc1F)[C@H]1CCCO1 ZINC000190772018 532357838 /nfs/dbraw/zinc/35/78/38/532357838.db2.gz NISFNKMEDUQSNG-JMCQJSRRSA-N 0 0 377.185 2.350 10 0 GEAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000190850271 532358328 /nfs/dbraw/zinc/35/83/28/532358328.db2.gz YKNGUCUGTNXVOT-AMIZOPFISA-N 0 0 391.212 2.333 10 0 GEAERN CCS(=O)(=O)c1ccc(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000187699420 532345052 /nfs/dbraw/zinc/34/50/52/532345052.db2.gz RAVMFCUFLQZNNQ-RDJZCZTQSA-N 0 0 379.503 2.390 10 0 GEAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000192231540 532396592 /nfs/dbraw/zinc/39/65/92/532396592.db2.gz XWKBFOVOVLIQIR-MRVPVSSYSA-N 0 0 381.679 2.002 10 0 GEAERN C[C@@H](NC(N)=O)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000192979897 532415614 /nfs/dbraw/zinc/41/56/14/532415614.db2.gz MHZNXUKTSCXCNP-MRVPVSSYSA-N 0 0 383.271 2.492 10 0 GEAERN CCOC(=O)[C@H](NS(=O)(=O)c1c(C)nn(C)c1C)c1ccc(Cl)cc1 ZINC000192990873 532415738 /nfs/dbraw/zinc/41/57/38/532415738.db2.gz IOCVPUHOKXJDIT-CQSZACIVSA-N 0 0 385.873 2.273 10 0 GEAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc(Br)c(C)c2F)c1 ZINC000192973840 532416109 /nfs/dbraw/zinc/41/61/09/532416109.db2.gz ZVCBLQYVAGLTOZ-UHFFFAOYSA-N 0 0 383.221 2.156 10 0 GEAERN CCCCOC[C@H](O)CN(C)S(=O)(=O)c1ccc(Br)s1 ZINC000193385799 532424360 /nfs/dbraw/zinc/42/43/60/532424360.db2.gz OLRCYIUOQKALAH-SNVBAGLBSA-N 0 0 386.333 2.309 10 0 GEAERN Cc1csc([C@@H]2CN(S(=O)(=O)c3cccc4nsnc43)CCO2)n1 ZINC000193942953 532437300 /nfs/dbraw/zinc/43/73/00/532437300.db2.gz YUVQWXSLZQJNMA-NSHDSACASA-N 0 0 382.492 2.218 10 0 GEAERN Cn1c(C[S@](=O)Cc2cn(-c3ccc(Cl)cc3)nn2)nnc1C1CC1 ZINC000194288335 532445325 /nfs/dbraw/zinc/44/53/25/532445325.db2.gz BHRAFYDIJVPJOM-RUZDIDTESA-N 0 0 376.873 2.376 10 0 GEAERN [O-]c1c(Br)cc(C[NH2+][C@H]2CCOC[C@H]2O)cc1Br ZINC000628467539 532468974 /nfs/dbraw/zinc/46/89/74/532468974.db2.gz XVGOFUVWKLFBER-WDEREUQCSA-N 0 0 381.064 2.157 10 0 GEAERN O=C(CNC(=O)c1ccc(Br)cc1)N[C@H]1COc2ccccc21 ZINC000195116529 532469141 /nfs/dbraw/zinc/46/91/41/532469141.db2.gz BTKZVBSEGILJGL-AWEZNQCLSA-N 0 0 375.222 2.429 10 0 GEAERN CC(C)n1nnnc1CS(=O)(=O)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000195426295 532476832 /nfs/dbraw/zinc/47/68/32/532476832.db2.gz HEYYOCACAWYBNZ-UHFFFAOYSA-N 0 0 382.833 2.072 10 0 GEAERN C[C@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1ccc(Br)cc1Cl ZINC000282669525 532486649 /nfs/dbraw/zinc/48/66/49/532486649.db2.gz VYQDVCYOCUGBOE-GMSGAONNSA-N 0 0 381.679 2.048 10 0 GEAERN C[C@H]1NC(=O)CC[C@@H]1NS(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000282541917 532475572 /nfs/dbraw/zinc/47/55/72/532475572.db2.gz NEDFOPUVWSLBGC-HQJQHLMTSA-N 0 0 381.679 2.048 10 0 GEAERN O=C(c1cc(I)ccc1O)N1CCN2CCCC[C@@H]2C1 ZINC000195320391 532475631 /nfs/dbraw/zinc/47/56/31/532475631.db2.gz OOMPSDSTPSVUTA-GFCCVEGCSA-N 0 0 386.233 2.307 10 0 GEAERN Cc1c(Cl)cccc1NC(=O)[C@H](C)S(=O)(=O)Cc1nnnn1C(C)C ZINC000195427969 532476570 /nfs/dbraw/zinc/47/65/70/532476570.db2.gz DWHPJEQDUVICEX-NSHDSACASA-N 0 0 385.877 2.158 10 0 GEAERN CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C(=O)N2CCc3ccc(Br)cc32)C1 ZINC000246539273 532540869 /nfs/dbraw/zinc/54/08/69/532540869.db2.gz VIMLMXQZHBAUAC-SWLSCSKDSA-N 0 0 394.313 2.183 10 0 GEAERN CN1CCO[C@H](CNC(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000246655168 532543291 /nfs/dbraw/zinc/54/32/91/532543291.db2.gz XPSSEPFGXFBLLQ-ZIAGYGMSSA-N 0 0 388.295 2.487 10 0 GEAERN CN1CCO[C@@H](CNC(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000246655160 532543342 /nfs/dbraw/zinc/54/33/42/532543342.db2.gz XPSSEPFGXFBLLQ-KGLIPLIRSA-N 0 0 388.295 2.487 10 0 GEAERN C[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C[C@H]1N1CCOCC1 ZINC000246642633 532543440 /nfs/dbraw/zinc/54/34/40/532543440.db2.gz ZQAQLDLHEICTNK-BLLLJJGKSA-N 0 0 393.336 2.476 10 0 GEAERN CSc1ccc(S(=O)(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)cc1Cl ZINC000248645471 532553904 /nfs/dbraw/zinc/55/39/04/532553904.db2.gz ONGQNUCKZSFWPO-RYUDHWBXSA-N 0 0 378.947 2.138 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NCc2csc(Br)c2)C1 ZINC000263079968 532613692 /nfs/dbraw/zinc/61/36/92/532613692.db2.gz UQPRFYWSWBFINL-UHFFFAOYSA-N 0 0 390.303 2.247 10 0 GEAERN O=C([O-])[C@@H]1C[N@H+](CCC(=O)N2CCc3sccc3C2)C[C@H]1C(F)(F)F ZINC000263071228 532613874 /nfs/dbraw/zinc/61/38/74/532613874.db2.gz WPDUCLLSCDXBMN-VXGBXAGGSA-N 0 0 376.400 2.218 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2ccc(OC)c(Br)c2)C1 ZINC000262702257 532598289 /nfs/dbraw/zinc/59/82/89/532598289.db2.gz IITISKIHTBBSIB-UHFFFAOYSA-N 0 0 385.258 2.125 10 0 GEAERN CCSc1ccc(Cl)cc1C(=O)N1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262845149 532603971 /nfs/dbraw/zinc/60/39/71/532603971.db2.gz JJBUQTJEMXJYQG-ZDUSSCGKSA-N 0 0 386.901 2.309 10 0 GEAERN O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CC(F)(F)CN1 ZINC000263042972 532612168 /nfs/dbraw/zinc/61/21/68/532612168.db2.gz SZILJYLBDOINRB-BXUZGUMPSA-N 0 0 388.256 2.389 10 0 GEAERN COc1c(Cl)cc(Cl)cc1CN1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000263531457 532630151 /nfs/dbraw/zinc/63/01/51/532630151.db2.gz WSKLKCIVRJHMAI-CYBMUJFWSA-N 0 0 377.268 2.219 10 0 GEAERN Cn1ncc(N2CCC[C@H]2c2nnc3n2CCCCC3)c(Br)c1=O ZINC000301249828 532746142 /nfs/dbraw/zinc/74/61/42/532746142.db2.gz RKXMAZROEPQCEK-NSHDSACASA-N 0 0 393.289 2.202 10 0 GEAERN O=c1ccnc2sc(N3CCO[C@H](c4ccc(Br)cc4)C3)nn21 ZINC000301108918 532740229 /nfs/dbraw/zinc/74/02/29/532740229.db2.gz KDXHAXLQVIQEFS-LBPRGKRZSA-N 0 0 393.266 2.491 10 0 GEAERN CCc1cnc([C@H](C)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)s1 ZINC000301593562 532755327 /nfs/dbraw/zinc/75/53/27/532755327.db2.gz YEQWZVVLPIFJKA-LBPRGKRZSA-N 0 0 382.511 2.295 10 0 GEAERN CC(C)c1nsc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)n1 ZINC000301506899 532753124 /nfs/dbraw/zinc/75/31/24/532753124.db2.gz CYYVYOLWTJCFOH-UHFFFAOYSA-N 0 0 388.465 2.451 10 0 GEAERN CCS(=O)(=O)N1CC(CNc2ccnc3cc(Br)cnc32)C1 ZINC000302541221 532771654 /nfs/dbraw/zinc/77/16/54/532771654.db2.gz HPHCWTBQKVHFHO-UHFFFAOYSA-N 0 0 385.287 2.086 10 0 GEAERN Cc1noc(C)c1S(=O)(=O)N1CCN(c2ncc(C(F)(F)F)s2)CC1 ZINC000302791230 532774054 /nfs/dbraw/zinc/77/40/54/532774054.db2.gz YUCXFSQIDVMUHQ-UHFFFAOYSA-N 0 0 396.416 2.278 10 0 GEAERN COc1c(N2CCC[C@@H]([NH3+])C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21 ZINC000003800459 209229645 /nfs/dbraw/zinc/22/96/45/209229645.db2.gz RWZYKNVFWKZWDX-SNVBAGLBSA-N 0 0 375.400 2.110 10 0 GEAERN O=C(CN1C(=O)S/C(=C/c2ccccc2)C1=O)N[C@H](CO)Cc1ccccc1 ZINC000033544509 209182762 /nfs/dbraw/zinc/18/27/62/209182762.db2.gz YYFVIFMDIPBVKT-BOFQVRIASA-N 0 0 396.468 2.443 10 0 GEAERN CCCCC[C@H](O)/C=C\[C@@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)NCCO ZINC000098087641 212076510 /nfs/dbraw/zinc/07/65/10/212076510.db2.gz XCVCLIRZZCGEMU-DKONKSRWSA-N 0 0 397.556 2.067 10 0 GEAERN CCCCC[C@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)NCCO ZINC000098092046 212075710 /nfs/dbraw/zinc/07/57/10/212075710.db2.gz GKKWUSPPIQURFM-GNAOUKFESA-N 0 0 395.540 2.275 10 0 GEAERN COC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cc(OC)ccc1OC ZINC000027914295 209178012 /nfs/dbraw/zinc/17/80/12/209178012.db2.gz MXDWHRNBWXJJBN-UHFFFAOYSA-N 0 0 383.397 2.211 10 0 GEAERN Cn1nc(C(=O)NC[C@@H](O)c2ccccc2)c(F)c1NC(=O)c1ccccc1 ZINC000041070569 211392916 /nfs/dbraw/zinc/39/29/16/211392916.db2.gz YVUGWMVWZXGEBG-OAHLLOKOSA-N 0 0 382.395 2.275 10 0 GEAERN CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)[C@@H]2CCCO2)(c2ccccc2)CC1 ZINC000097214694 211362782 /nfs/dbraw/zinc/36/27/82/211362782.db2.gz QPIYRNZATGPAFF-AEFFLSMTSA-N 0 0 394.537 2.054 10 0 GEAERN CCCNC(=O)Cn1c2ccc(C)cc2c(=O)n(-c2ccc(F)cc2F)c1=O ZINC000096318140 211333504 /nfs/dbraw/zinc/33/35/04/211333504.db2.gz DDGUEOHTCARHAX-UHFFFAOYSA-N 0 0 387.386 2.265 10 0 GEAERN Nc1cc(C(=O)N2CCC3(CCC(=O)N(CCc4ccccn4)C3)CC2)ccn1 ZINC000091594954 211195923 /nfs/dbraw/zinc/19/59/23/211195923.db2.gz QMDVCMXMKAHYEB-UHFFFAOYSA-N 0 0 393.491 2.146 10 0 GEAERN COc1ccc2c(c1)C[C@H](C)N2NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000077300539 211128792 /nfs/dbraw/zinc/12/87/92/211128792.db2.gz PHHIYQIOHDPMDF-JTQLQIEISA-N 0 0 395.868 2.092 10 0 in-vitro GEAERN O=C(c1cc2n(n1)CCN(Cc1cccn1-c1ccccn1)C2)N1CCCC1 ZINC000065374967 210990677 /nfs/dbraw/zinc/99/06/77/210990677.db2.gz WTPSBSJZGCSPOI-UHFFFAOYSA-N 0 0 376.464 2.321 10 0 GEAERN O=C([C@@H]1CN(S(=O)(=O)c2ccccc2)CC12CCCCC2)N1CCOCC1 ZINC000065259733 210982912 /nfs/dbraw/zinc/98/29/12/210982912.db2.gz NRZWFCZKHLJYLD-SFHVURJKSA-N 0 0 392.521 2.116 10 0 GEAERN CC(=O)N1CCc2cc(N3C[C@H](C(=O)N[C@@H](C)c4cccnc4)CC3=O)ccc21 ZINC000065195294 210973714 /nfs/dbraw/zinc/97/37/14/210973714.db2.gz KQXWCSURFYPUIC-KBXCAEBGSA-N 0 0 392.459 2.221 10 0 GEAERN Cn1cnc2c(C(=O)NCc3ccco3)nn(-c3ccc(Cl)cc3)c2c1=O ZINC000064991863 210960005 /nfs/dbraw/zinc/96/00/05/210960005.db2.gz JHBJPLQEUJQOLD-UHFFFAOYSA-N 0 0 383.795 2.296 10 0 GEAERN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(CNC(=O)c3cc(C)on3)cc2)C1 ZINC000036001494 210703516 /nfs/dbraw/zinc/70/35/16/210703516.db2.gz IHDWAWVIFZYTHI-QGZVFWFLSA-N 0 0 399.447 2.328 10 0 GEAERN CN(Cc1ccc2ccccc2n1)C(=O)C[C@H]1C(=O)NCCN1CC(C)(C)C ZINC000020601203 210349273 /nfs/dbraw/zinc/34/92/73/210349273.db2.gz OTWYWWZUABYMRE-IBGZPJMESA-N 0 0 382.508 2.430 10 0 GEAERN Cc1ccnc(N2CCC[C@H](C(=O)Nc3ccc(CN4CCOCC4)cc3)C2)n1 ZINC000020463906 210338401 /nfs/dbraw/zinc/33/84/01/210338401.db2.gz GRHLMTHNDBTIOG-IBGZPJMESA-N 0 0 395.507 2.472 10 0 GEAERN Cc1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CC[NH+](C)CC2)c1 ZINC000058009268 136154232 /nfs/dbraw/zinc/15/42/32/136154232.db2.gz NSSFUUTZYCTVKJ-UHFFFAOYSA-N 0 0 389.477 2.246 10 0 GEAERN Cc1noc(C)c1-c1ccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000064837796 136157995 /nfs/dbraw/zinc/15/79/95/136157995.db2.gz USHSZXXEGIWGHG-UHFFFAOYSA-N 0 0 399.476 2.259 10 0 GEAERN Cc1ccc(CNC(=O)Nc2cnn(-c3ncncc3N3CCOCC3)c2)cc1 ZINC000065283131 136162512 /nfs/dbraw/zinc/16/25/12/136162512.db2.gz HNRWMFLZJZSJTL-UHFFFAOYSA-N 0 0 393.451 2.129 10 0 GEAERN Cc1cc(C(F)(F)F)nc(N2CCN(C(=O)CCc3ccccn3)CC2)n1 ZINC000082099828 136173555 /nfs/dbraw/zinc/17/35/55/136173555.db2.gz OBIQZMRDDSNCKQ-UHFFFAOYSA-N 0 0 379.386 2.480 10 0 GEAERN CCOc1ccc(S(=O)(=O)NCc2ccnc(N3CCCCC3)n2)cc1 ZINC000224212295 136206447 /nfs/dbraw/zinc/20/64/47/136206447.db2.gz NDWMMYOIOPDTFV-UHFFFAOYSA-N 0 0 376.482 2.344 10 0 GEAERN CCO[C@H](C)c1noc(CNC(=O)[C@H]2CCCN2c2ncnc3ccccc32)n1 ZINC000089984993 520493991 /nfs/dbraw/zinc/49/39/91/520493991.db2.gz HFXBSWVBTTXZJD-CZUORRHYSA-N 0 0 396.451 2.396 10 0 GEAERN CCOc1cc(Cn2c(=O)[nH]c3cc(OC)c(OC)cc3c2=O)ccc1OC ZINC000073658084 520742433 /nfs/dbraw/zinc/74/24/33/520742433.db2.gz JJMPSMGERZJAEX-UHFFFAOYSA-N 0 0 386.404 2.163 10 0 GEAERN COC(C)(C)c1cc2nc(-c3cnc(N)nc3)nc(N3CCOCC3)c2s1 ZINC000095576530 536491581 /nfs/dbraw/zinc/49/15/81/536491581.db2.gz BRCOIQMZYMWNIS-UHFFFAOYSA-N 0 0 386.481 2.449 10 0 GEAERN O=C([O-])C[NH+]1CCN(c2cc(-c3ccccc3)nc(-c3cccnc3)n2)CC1 ZINC000073685594 527610611 /nfs/dbraw/zinc/61/06/11/527610611.db2.gz NLRQVAJZUVGVDZ-UHFFFAOYSA-N 0 0 375.432 2.412 10 0 GEAERN COc1cc(C(=O)Nc2cc(N)ccc2N2CCOCC2)cc(OC)c1OC ZINC000226252879 536530016 /nfs/dbraw/zinc/53/00/16/536530016.db2.gz BJYQWXXRBWBDMF-UHFFFAOYSA-N 0 0 387.436 2.384 10 0 GEAERN COc1ccc(S(=O)(=O)NCc2nccc(N3CCCC3)n2)c(C)c1C ZINC000224156537 570424608 /nfs/dbraw/zinc/42/46/08/570424608.db2.gz LSLATGSKKAEIMV-UHFFFAOYSA-N 0 0 376.482 2.181 10 0 GEAERN COc1ccc(S(=O)(=O)NCc2nccc(N3CCCC3)n2)cc1Cl ZINC000224157182 570425114 /nfs/dbraw/zinc/42/51/14/570425114.db2.gz GIWMDDADZDLHIH-UHFFFAOYSA-N 0 0 382.873 2.217 10 0 GEAERN COC(=O)[C@@H](O)C1CCN(C(=O)c2nc(-c3ccccc3F)oc2C)CC1 ZINC000133862693 570468507 /nfs/dbraw/zinc/46/85/07/570468507.db2.gz OVNHSIHRSAREFL-INIZCTEOSA-N 0 0 376.384 2.175 10 0 GEAERN Cc1n[nH]c(CCC(=O)N2CCn3nc([C@H](O)c4ccccc4)cc3C2)c1C ZINC000223907075 570489681 /nfs/dbraw/zinc/48/96/81/570489681.db2.gz HVUAHSPUECNFTD-OAQYLSRUSA-N 0 0 379.464 2.280 10 0 GEAERN COCCNC(=O)[C@@]1(C)Cn2c(cc3ccsc32)C(=O)N1Cc1ccco1 ZINC000035405792 570552630 /nfs/dbraw/zinc/55/26/30/570552630.db2.gz LYKRZOANAPXRBV-LJQANCHMSA-N 0 0 387.461 2.473 10 0 GEAERN O=C(Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2ccccc21)NCc1ccco1 ZINC000006776371 570585249 /nfs/dbraw/zinc/58/52/49/570585249.db2.gz XMCUDCAHAFIJRH-UHFFFAOYSA-N 0 0 393.374 2.201 10 0 GEAERN O=C(NC1CCCC1)N1CCCN(c2ccc(=O)n(-c3ccccc3)n2)CC1 ZINC000033037541 570673670 /nfs/dbraw/zinc/67/36/70/570673670.db2.gz GTUJCDDMBQQYHI-UHFFFAOYSA-N 0 0 381.480 2.397 10 0 GEAERN O=C(N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)c1cc2c([nH]c1=O)CCC2 ZINC000253535786 570733735 /nfs/dbraw/zinc/73/37/35/570733735.db2.gz QEGJNPONTKHAQY-YRNRMSPPSA-N 0 0 380.444 2.453 10 0 GEAERN O=C(c1cc2n(n1)CCN(Cc1cnc(-c3ccco3)nc1)C2)N1CCCC1 ZINC000065432014 570768416 /nfs/dbraw/zinc/76/84/16/570768416.db2.gz PCSSOTYIKLWBAL-UHFFFAOYSA-N 0 0 378.436 2.185 10 0 GEAERN CCCN(C(=O)c1cnn2c1C[C@H](CNC(=O)c1cccnc1)CC2)C1CC1 ZINC000583621834 570802516 /nfs/dbraw/zinc/80/25/16/570802516.db2.gz ZMBCPKKMOSXEQP-OAHLLOKOSA-N 0 0 381.480 2.285 10 0 GEAERN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000041109409 642526179 /nfs/dbraw/zinc/52/61/79/642526179.db2.gz GPAPDCHYVFGQBY-JKSUJKDBSA-N 0 0 386.901 2.374 10 0 GEAERN Cn1cnc(S(=O)(=O)NC[C@H]2CCCCN2Cc2ccccc2)c1Cl ZINC000067435827 642967008 /nfs/dbraw/zinc/96/70/08/642967008.db2.gz MCKHKOIHDFDPOP-OAHLLOKOSA-N 0 0 382.917 2.407 10 0 GEAERN C[C@@H](CNC(=O)N[C@H]1CCc2c1cccc2Br)N1CCOCC1 ZINC000069767829 643040282 /nfs/dbraw/zinc/04/02/82/643040282.db2.gz AQRVGNXJSNHZTB-LRDDRELGSA-N 0 0 382.302 2.456 10 0 GEAERN CC(C)[C@H](C)NC(=O)C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000070690045 643051518 /nfs/dbraw/zinc/05/15/18/643051518.db2.gz IPAIQIPMKLONMD-LBPRGKRZSA-N 0 0 398.301 2.385 10 0 GEAERN CNC(=O)[C@H]1CN(C(=O)c2cccc(Br)c2)CC12CCOCC2 ZINC000096310225 643089393 /nfs/dbraw/zinc/08/93/93/643089393.db2.gz YAUBMWDOMNLTJY-CQSZACIVSA-N 0 0 381.270 2.064 10 0 GEAERN CCOC(=O)N1CCN(C(=O)CN[C@H](C)c2ccccc2Br)CC1 ZINC000102683946 643132781 /nfs/dbraw/zinc/13/27/81/643132781.db2.gz VLIVXMWCXYFGSU-CYBMUJFWSA-N 0 0 398.301 2.400 10 0 GEAERN C[C@H](NC(=O)c1cc(S(C)(=O)=O)ccc1Br)[C@H]1CCCO1 ZINC000103374005 643163887 /nfs/dbraw/zinc/16/38/87/643163887.db2.gz RMUJXOGQGHMLTH-TVQRCGJNSA-N 0 0 376.272 2.150 10 0 GEAERN C[C@H]1CN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)C[C@H](C)O1 ZINC000103426248 643164404 /nfs/dbraw/zinc/16/44/04/643164404.db2.gz YPVIEXABHQOKQU-UWVGGRQHSA-N 0 0 376.272 2.102 10 0 GEAERN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)N[C@@H](C)c2ccc(Cl)s2)CC1 ZINC000103509287 643169212 /nfs/dbraw/zinc/16/92/12/643169212.db2.gz GSHPOKQIBUQEHS-NWDGAFQWSA-N 0 0 384.933 2.457 10 0 GEAERN CN1CCO[C@@H](CNC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000105283587 643202869 /nfs/dbraw/zinc/20/28/69/643202869.db2.gz PYEQIABHOSZCIM-AWEZNQCLSA-N 0 0 390.311 2.218 10 0 GEAERN NC(=O)[C@H](c1ccc(Br)cc1)N1CCC(Nc2cccnn2)CC1 ZINC000106080132 643220155 /nfs/dbraw/zinc/22/01/55/643220155.db2.gz MPLJBEKRARYLMV-INIZCTEOSA-N 0 0 390.285 2.342 10 0 GEAERN CN(CC(=O)N(C)CC(F)(F)F)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106160592 643224279 /nfs/dbraw/zinc/22/42/79/643224279.db2.gz OJCLVULTFMPCMR-ZDUSSCGKSA-N 0 0 379.448 2.074 10 0 GEAERN C[C@H](C(=O)Nc1ccccc1Br)N1CCO[C@H](Cn2cccn2)C1 ZINC000106190813 643224904 /nfs/dbraw/zinc/22/49/04/643224904.db2.gz KDNKAFIOZMMXMY-KGLIPLIRSA-N 0 0 393.285 2.374 10 0 GEAERN Cc1ccc(NC(=O)CN2CCO[C@@H](Cn3cccn3)C2)c(Br)c1 ZINC000106192916 643225591 /nfs/dbraw/zinc/22/55/91/643225591.db2.gz LIWUAAMWOFDAHB-CQSZACIVSA-N 0 0 393.285 2.294 10 0 GEAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1csc(I)c1 ZINC000107542680 643258021 /nfs/dbraw/zinc/25/80/21/643258021.db2.gz JRVJOGQQGVWELX-SECBINFHSA-N 0 0 378.235 2.046 10 0 GEAERN O=S(=O)(N[C@@H]1CCc2cc(Cl)ccc21)c1cccc(-n2cnnn2)c1 ZINC000109314393 643292946 /nfs/dbraw/zinc/29/29/46/643292946.db2.gz QTEWJDPJXLJQMO-MRXNPFEDSA-N 0 0 375.841 2.282 10 0 GEAERN O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCO[C@H](c2nccs2)C1 ZINC000110885931 643322057 /nfs/dbraw/zinc/32/20/57/643322057.db2.gz JMEQHAGSSURLCP-LBPRGKRZSA-N 0 0 388.417 2.353 10 0 GEAERN O=S(=O)(c1cnn(-c2ccccc2)c1)N1CCO[C@@H](c2nccs2)C1 ZINC000111343329 643334791 /nfs/dbraw/zinc/33/47/91/643334791.db2.gz HABIYFCWRMHGBI-OAHLLOKOSA-N 0 0 376.463 2.091 10 0 GEAERN Cc1noc([C@H](C)N2CCN(S(=O)(=O)c3cc(Cl)ccc3C)CC2)n1 ZINC000111344483 643335323 /nfs/dbraw/zinc/33/53/23/643335323.db2.gz ZIBHHWJVRWVGJD-LBPRGKRZSA-N 0 0 384.889 2.407 10 0 GEAERN COCCN(C)S(=O)(=O)N1C[C@H](c2ccccc2Cl)OCC1(C)C ZINC000111364811 643338142 /nfs/dbraw/zinc/33/81/42/643338142.db2.gz SGUSSJRJFBBDCQ-OAHLLOKOSA-N 0 0 376.906 2.315 10 0 GEAERN O=C(NCc1cc(F)cc(Br)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111835853 643347823 /nfs/dbraw/zinc/34/78/23/643347823.db2.gz TXVGBMFHVHBJAN-HNNXBMFYSA-N 0 0 397.248 2.395 10 0 GEAERN Cc1ccc2oc(N3CCN(C(=O)CSc4nncs4)CC3)nc2c1 ZINC000112264471 643356119 /nfs/dbraw/zinc/35/61/19/643356119.db2.gz WXZHPMUKSIINRV-UHFFFAOYSA-N 0 0 375.479 2.429 10 0 GEAERN C[C@H](Cc1cccc(Br)c1)NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112746243 643372661 /nfs/dbraw/zinc/37/26/61/643372661.db2.gz USZLIXJYQGFBHB-RISCZKNCSA-N 0 0 378.274 2.286 10 0 GEAERN Cc1ccc(S(=O)(=O)N2CCCN(Cc3cnn(C)c3)CC2)cc1Cl ZINC000115580835 643442055 /nfs/dbraw/zinc/44/20/55/643442055.db2.gz KKXYESDFCLBGMJ-UHFFFAOYSA-N 0 0 382.917 2.279 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)c2cnc(Cl)c(C)c2)C[C@H]1CC ZINC000117365989 643488856 /nfs/dbraw/zinc/48/88/56/643488856.db2.gz FOSFVHZYHYOYJA-CQSZACIVSA-N 0 0 375.922 2.165 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)C[C@@H]1C ZINC000117369074 643489425 /nfs/dbraw/zinc/48/94/25/643489425.db2.gz XHKDSKCQDLDTDT-ZDUSSCGKSA-N 0 0 380.432 2.437 10 0 GEAERN CC[C@H](O)CN1CCN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000118856755 643525039 /nfs/dbraw/zinc/52/50/39/643525039.db2.gz BEDLBKMIWSSRMY-AWEZNQCLSA-N 0 0 395.352 2.156 10 0 GEAERN C[C@@H](NC(=O)c1ccc(Br)cc1O)c1ccc(S(N)(=O)=O)cc1 ZINC000120016922 643585433 /nfs/dbraw/zinc/58/54/33/643585433.db2.gz ZIRLBHHOLDQAEN-SECBINFHSA-N 0 0 399.266 2.293 10 0 GEAERN O=C(NCC[S@](=O)Cc1ccccc1)N1CCO[C@@H](c2nccs2)C1 ZINC000120430406 643606742 /nfs/dbraw/zinc/60/67/42/643606742.db2.gz FCMUYRRFKYDSSB-SGANQWHYSA-N 0 0 379.507 2.175 10 0 GEAERN C[C@H](NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl)[C@@H]1CCCO1 ZINC000122042867 643648673 /nfs/dbraw/zinc/64/86/73/643648673.db2.gz AJYJSGGOZRXEFY-GWCFXTLKSA-N 0 0 395.308 2.346 10 0 GEAERN Cc1cc(S(=O)(=O)N(C)C(=O)[C@@H]2CC[C@H](C)O2)ccc1Br ZINC000124295685 643684178 /nfs/dbraw/zinc/68/41/78/643684178.db2.gz FWTFZVFPYPHGMS-GWCFXTLKSA-N 0 0 376.272 2.472 10 0 GEAERN O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC(c2cc[nH]n2)CC1 ZINC000125083892 643700585 /nfs/dbraw/zinc/70/05/85/643700585.db2.gz CYMASVPWHMIBRO-UHFFFAOYSA-N 0 0 375.422 2.487 10 0 GEAERN C[C@H](NCC(=O)NCCCN1CCCC1=O)c1ccccc1Br ZINC000127130511 643758577 /nfs/dbraw/zinc/75/85/77/643758577.db2.gz DQVWZUDOHGCAKC-ZDUSSCGKSA-N 0 0 382.302 2.228 10 0 GEAERN CCc1noc([C@@H](C)N2CCN(C(=O)CSCc3cscn3)CC2)n1 ZINC000130420237 643838874 /nfs/dbraw/zinc/83/88/74/643838874.db2.gz YAXYFIQOPNAYAX-GFCCVEGCSA-N 0 0 381.527 2.227 10 0 GEAERN C[C@H]1COC[C@H](C)N1C(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000130987861 643858241 /nfs/dbraw/zinc/85/82/41/643858241.db2.gz CLCUQWHTHCFLRV-UWVGGRQHSA-N 0 0 376.272 2.102 10 0 GEAERN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000151275493 643934516 /nfs/dbraw/zinc/93/45/16/643934516.db2.gz KNRTVGVKOXMUNW-SJCJKPOMSA-N 0 0 386.901 2.015 10 0 GEAERN CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCO[C@@H](c3nccs3)C2)c1 ZINC000151824375 643954982 /nfs/dbraw/zinc/95/49/82/643954982.db2.gz NTCNGVZEUFREGE-CYBMUJFWSA-N 0 0 386.882 2.414 10 0 GEAERN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](C)CCS(C)(=O)=O ZINC000153870620 644009205 /nfs/dbraw/zinc/00/92/05/644009205.db2.gz CFSFMOYJIPUXBL-WFASDCNBSA-N 0 0 388.917 2.034 10 0 GEAERN CCc1nnc([C@H]2CN(C(=O)c3ccc(C)nc3Br)CCO2)[nH]1 ZINC000154007527 644014360 /nfs/dbraw/zinc/01/43/60/644014360.db2.gz USEQVTHWWXBFNC-LLVKDONJSA-N 0 0 380.246 2.047 10 0 GEAERN O=C(Nc1ccc(Br)c(Cl)c1)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000154430890 644040741 /nfs/dbraw/zinc/04/07/41/644040741.db2.gz KMAMTZAHNFOUNE-NEPJUHHUSA-N 0 0 375.650 2.461 10 0 GEAERN C[C@@H]1COC[C@@H](C)N1C(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000155113935 644065320 /nfs/dbraw/zinc/06/53/20/644065320.db2.gz PSFVPSGJEQEKQE-GHMZBOCLSA-N 0 0 395.308 2.298 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Oc1ccc(C)nc1Br ZINC000155404668 644070896 /nfs/dbraw/zinc/07/08/96/644070896.db2.gz SUXLZNCOCGTEKO-LLVKDONJSA-N 0 0 391.287 2.262 10 0 GEAERN Nc1ncc(Cl)cc1S(=O)(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000158440550 644144788 /nfs/dbraw/zinc/14/47/88/644144788.db2.gz YOKYYERYSPGSEE-GXFFZTMASA-N 0 0 389.811 2.092 10 0 GEAERN Cc1noc([C@H]2COCCN2C(=O)c2cc(Br)cnc2Cl)n1 ZINC000158935560 644168995 /nfs/dbraw/zinc/16/89/95/644168995.db2.gz PWTKSJNMSLFOPA-SNVBAGLBSA-N 0 0 387.621 2.403 10 0 GEAERN O=C(c1cc(Cn2cc(Br)cn2)on1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000158984794 644171118 /nfs/dbraw/zinc/17/11/18/644171118.db2.gz MOJNNTBTDZZILJ-HUUCEWRRSA-N 0 0 395.257 2.466 10 0 GEAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000162359213 644234390 /nfs/dbraw/zinc/23/43/90/644234390.db2.gz FVPNCFNDSGNIPG-TVQRCGJNSA-N 0 0 391.225 2.495 10 0 GEAERN C[C@@H](CC(=O)c1cccc(Br)c1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000162392732 644236111 /nfs/dbraw/zinc/23/61/11/644236111.db2.gz LNULOJSMKSJKAJ-SWLSCSKDSA-N 0 0 383.286 2.105 10 0 GEAERN C[C@@H]1C[C@@H]1NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000171062238 644305218 /nfs/dbraw/zinc/30/52/18/644305218.db2.gz SKKXFHMNUMDKQO-DOMZBBRYSA-N 0 0 380.491 2.477 10 0 GEAERN CC(C)c1nnc2n1C[C@@H](Nc1ncnc3c1c(Br)nn3C)CC2 ZINC000171131945 644313702 /nfs/dbraw/zinc/31/37/02/644313702.db2.gz GLYZQEGGCKDZGX-VIFPVBQESA-N 0 0 391.277 2.268 10 0 GEAERN Cn1nc(Br)c2c1ncnc2N1CC[C@H](CNc2ccccn2)C1 ZINC000171131969 644313732 /nfs/dbraw/zinc/31/37/32/644313732.db2.gz PJTLNVPENBNBCT-LLVKDONJSA-N 0 0 388.273 2.459 10 0 GEAERN C[C@H]1CN(C(=O)NCCNC(=O)c2ccc(Br)cc2)CCS1 ZINC000171430332 644321891 /nfs/dbraw/zinc/32/18/91/644321891.db2.gz JAQZVDKYAVUHSD-NSHDSACASA-N 0 0 386.315 2.326 10 0 GEAERN Brc1cc(CN2CCO[C@H](Cn3cccn3)C2)cc2c1OCO2 ZINC000171511024 644326729 /nfs/dbraw/zinc/32/67/29/644326729.db2.gz TYSXIWWQTJSPKO-ZDUSSCGKSA-N 0 0 380.242 2.275 10 0 GEAERN Cc1cc2c(cc1Br)N(C[C@H](O)CN1CCCC1=O)C[C@H](C)O2 ZINC000175598594 644392018 /nfs/dbraw/zinc/39/20/18/644392018.db2.gz UKWGVXYVXMNGNV-QWHCGFSZSA-N 0 0 383.286 2.328 10 0 GEAERN C[C@H]1CN=C(N2CCN(C[C@H](O)COCc3ccc(Cl)cc3)CC2)S1 ZINC000175801323 644394101 /nfs/dbraw/zinc/39/41/01/644394101.db2.gz PEOSZQHDSSPTMW-YOEHRIQHSA-N 0 0 383.945 2.326 10 0 GEAERN C[C@@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C[C@@H]1N1CCOCC1 ZINC000176703254 644403930 /nfs/dbraw/zinc/40/39/30/644403930.db2.gz ZWSABOXKUPVKTD-DOMZBBRYSA-N 0 0 378.416 2.137 10 0 GEAERN O=C(/C=C/c1ccc(I)o1)N[C@@H]1CCCn2ncnc21 ZINC000177571885 644419257 /nfs/dbraw/zinc/41/92/57/644419257.db2.gz NZPYTICYSYDSEV-DFVUYQKZSA-N 0 0 384.177 2.140 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1Cl)CC2 ZINC000177641029 644421549 /nfs/dbraw/zinc/42/15/49/644421549.db2.gz JVKDNGQRUXCARX-SNVBAGLBSA-N 0 0 382.251 2.217 10 0 GEAERN COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]1Cn1ccnc1 ZINC000178818231 644442027 /nfs/dbraw/zinc/44/20/27/644442027.db2.gz FIFYUQMTNHKBKH-ZDUSSCGKSA-N 0 0 383.857 2.176 10 0 GEAERN O=S(=O)(N[C@@H]1CCCC[C@H]1CO)c1cc(Br)cnc1Cl ZINC000179491650 644462660 /nfs/dbraw/zinc/46/26/60/644462660.db2.gz PORVJEFLFZKZDA-WCBMZHEXSA-N 0 0 383.695 2.327 10 0 GEAERN CC(=O)c1cc(S(=O)(=O)N[C@@H](C)[C@@H]2CCCO2)ccc1Br ZINC000180169841 644492772 /nfs/dbraw/zinc/49/27/72/644492772.db2.gz BRKHCWGIIWLRAH-XPTSAGLGSA-N 0 0 376.272 2.498 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)Nc3ccc(Br)nc3C)CCO2)[nH]1 ZINC000181299813 644530122 /nfs/dbraw/zinc/53/01/22/644530122.db2.gz JVTLNNRKFULWGV-LLVKDONJSA-N 0 0 381.234 2.184 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc(-c2cccs2)ns1 ZINC000182161588 644958847 /nfs/dbraw/zinc/95/88/47/644958847.db2.gz OZFCUSZMMVVAFT-JTQLQIEISA-N 0 0 386.524 2.409 10 0 GEAERN CN1CCO[C@H](CNS(=O)(=O)c2ccc3cc(Br)ccc3c2)C1 ZINC000184275456 645015073 /nfs/dbraw/zinc/01/50/73/645015073.db2.gz GWHWHESINYCTHB-OAHLLOKOSA-N 0 0 399.310 2.211 10 0 GEAERN Cc1noc([C@@H]2COCCN2CC(=O)Nc2ccc(Br)cc2C)n1 ZINC000185087293 645034322 /nfs/dbraw/zinc/03/43/22/645034322.db2.gz IBYNELHRJWDKLF-AWEZNQCLSA-N 0 0 395.257 2.461 10 0 GEAERN C[C@@H](OC(=O)[C@H]1CCCN1S(C)(=O)=O)c1ccccc1Br ZINC000186090314 645060050 /nfs/dbraw/zinc/06/00/50/645060050.db2.gz QLPUSXYJJWGLNN-ZWNOBZJWSA-N 0 0 376.272 2.477 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CCN(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000186642176 645070400 /nfs/dbraw/zinc/07/04/00/645070400.db2.gz GLFHIPVSMHIQTF-UHFFFAOYSA-N 0 0 383.286 2.389 10 0 GEAERN CCOc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)cc1Br ZINC000188790163 645125912 /nfs/dbraw/zinc/12/59/12/645125912.db2.gz MTDYKPBBVFTQEU-BXUZGUMPSA-N 0 0 399.285 2.454 10 0 GEAERN C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2Cl)C[C@H]1CO ZINC000190559700 645160028 /nfs/dbraw/zinc/16/00/28/645160028.db2.gz MXXNPDFCDXXAAN-SFYZADRCSA-N 0 0 393.640 2.267 10 0 GEAERN CCn1cc([C@@H]2CN(C(=O)c3cc(Br)c(C)[nH]c3=O)CCO2)cn1 ZINC000191738879 645180743 /nfs/dbraw/zinc/18/07/43/645180743.db2.gz WWXWKWCAAQWICQ-AWEZNQCLSA-N 0 0 395.257 2.288 10 0 GEAERN O=C(N1CC[C@H](N2CCOCC2)C1)C1(c2ccccc2Br)CC1 ZINC000191892239 645184846 /nfs/dbraw/zinc/18/48/46/645184846.db2.gz ZDBJKIFMEWCGGD-AWEZNQCLSA-N 0 0 379.298 2.414 10 0 GEAERN O=C(Nc1nc2c(s1)CCCC2)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000193100073 645241244 /nfs/dbraw/zinc/24/12/44/645241244.db2.gz DJDNMGSPCGMTIF-LLVKDONJSA-N 0 0 378.479 2.017 10 0 GEAERN CC(C)Cc1ccc([C@H](C)NS(=O)(=O)CCCS(=O)(=O)N(C)C)cc1 ZINC000193794030 645299609 /nfs/dbraw/zinc/29/96/09/645299609.db2.gz XJTBUZYLYMEXPW-HNNXBMFYSA-N 0 0 390.571 2.147 10 0 GEAERN O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCC[C@H](Cn2cncn2)C1 ZINC000194336760 645322721 /nfs/dbraw/zinc/32/27/21/645322721.db2.gz IMXFCKGQIPDHSC-LRDDRELGSA-N 0 0 391.269 2.283 10 0 GEAERN O=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCN2CCCC[C@@H]2C1 ZINC000195063748 645356554 /nfs/dbraw/zinc/35/65/54/645356554.db2.gz SBLUPCFDRGZQRR-CYBMUJFWSA-N 0 0 376.400 2.290 10 0 GEAERN CCn1c(-c2c(F)cccc2Br)nc2c1c(=O)[nH]c(=O)n2CC ZINC000195163577 645359128 /nfs/dbraw/zinc/35/91/28/645359128.db2.gz OJUVXDXMIQQGKE-UHFFFAOYSA-N 0 0 381.205 2.495 10 0 GEAERN Cc1cc2c(cc1Br)N(C[C@@H](O)CN1CCCC1=O)C[C@@H](C)O2 ZINC000246183460 645478005 /nfs/dbraw/zinc/47/80/05/645478005.db2.gz UKWGVXYVXMNGNV-OLZOCXBDSA-N 0 0 383.286 2.328 10 0 GEAERN C[C@H](C(=O)Nc1ccccc1Br)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246384976 645482138 /nfs/dbraw/zinc/48/21/38/645482138.db2.gz IJMCRQGYSVFJDY-CPUCHLNUSA-N 0 0 396.329 2.429 10 0 GEAERN Cc1cc(NC(=O)CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)ccc1Br ZINC000246608842 645487143 /nfs/dbraw/zinc/48/71/43/645487143.db2.gz XZRWXLSCLOHVRS-PBHICJAKSA-N 0 0 396.329 2.349 10 0 GEAERN COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C)cc2Br)C[C@H]1C ZINC000250906942 645563954 /nfs/dbraw/zinc/56/39/54/645563954.db2.gz AHPDUCGPUFIFDP-MNOVXSKESA-N 0 0 376.272 2.187 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N[C@@H](C)c2ccc(Br)cn2)C1 ZINC000263409368 645663793 /nfs/dbraw/zinc/66/37/93/645663793.db2.gz UMFTXHAQSMMKCF-PKSQDBQZSA-N 0 0 399.289 2.142 10 0 GEAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1ccc(I)c(Cl)c1 ZINC000281736140 646793709 /nfs/dbraw/zinc/79/37/09/646793709.db2.gz HGHVBRKLVMEILY-WRWORJQWSA-N 0 0 392.624 2.342 10 0 GEAERN C[C@@H](NS(=O)(=O)c1c(Cl)cccc1Br)c1cn(C)nn1 ZINC000720525218 651476376 /nfs/dbraw/zinc/47/63/76/651476376.db2.gz SJOQEZCTSHSXBG-SSDOTTSWSA-N 0 0 379.667 2.271 10 0 GEAERN O=C(N[C@@H]1CCOC[C@@H]1O)c1ccc(Br)cc1Br ZINC000629247284 652482768 /nfs/dbraw/zinc/48/27/68/652482768.db2.gz XDMMFYLBYIHQAU-MNOVXSKESA-N 0 0 379.048 2.091 10 0 GEAERN CN1C[C@H](CNC(=O)c2cc(Cl)ccc2I)CC1=O ZINC000598263449 652808979 /nfs/dbraw/zinc/80/89/79/652808979.db2.gz TWYHKPKOWXNGCR-QMMMGPOBSA-N 0 0 392.624 2.153 10 0 GEAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2ccccc2Br)C1 ZINC000702852561 653320790 /nfs/dbraw/zinc/32/07/90/653320790.db2.gz SOHJZESVTJEFFN-RISCZKNCSA-N 0 0 399.285 2.407 10 0 GEAERN CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2nc(Cl)ccc2Cl)[C@H](O)C1 ZINC000705695863 653321740 /nfs/dbraw/zinc/32/17/40/653321740.db2.gz NJOULPBVQZUFLZ-MWLCHTKSSA-N 0 0 390.267 2.346 10 0 GEAERN Clc1nc(N2CCOCC2)sc1CN1CCn2c(nnc2C2CC2)C1 ZINC000894013907 654438615 /nfs/dbraw/zinc/43/86/15/654438615.db2.gz GZWPDZJSUTVSQZ-UHFFFAOYSA-N 0 0 380.905 2.118 10 0 GEAERN CN(C[C@H]1CCn2ccnc2C1)C(=O)c1cc2ncc(Br)cn2n1 ZINC000907570949 654559007 /nfs/dbraw/zinc/55/90/07/654559007.db2.gz WMZKZVLDNILSDU-NSHDSACASA-N 0 0 389.257 2.023 10 0 GEAERN C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1c[nH]nc1Br ZINC000912189633 654745319 /nfs/dbraw/zinc/74/53/19/654745319.db2.gz ADSGWITXMZJZEA-SCZZXKLOSA-N 0 0 389.250 2.135 10 0 GEAERN O=C(NCc1ccc2c(c1)CCO2)N(Cc1cccnc1)C[C@@H]1CCC(=O)N1 ZINC000426612589 231246229 /nfs/dbraw/zinc/24/62/29/231246229.db2.gz HXFGOANTMAXRJO-SFHVURJKSA-N 0 0 380.448 2.007 10 0 GEAERN COc1cccc([C@@]2(CC(=O)N(C)Cc3ncccc3C)CC(=O)N(C)C2=O)c1 ZINC000014981619 210138764 /nfs/dbraw/zinc/13/87/64/210138764.db2.gz PPZWKEMWFDAEJR-JOCHJYFZSA-N 0 0 395.459 2.074 10 0 GEAERN Cc1nc(N2CCC(C(=O)N(C)C[C@@H]3COCCO3)CC2)nc2ccccc12 ZINC000014884003 210129735 /nfs/dbraw/zinc/12/97/35/210129735.db2.gz IXERZTNMBTWECT-QGZVFWFLSA-N 0 0 384.480 2.028 10 0 GEAERN COC(=O)c1ccc(Cn2c3cccnc3c(=O)n(Cc3cccs3)c2=O)o1 ZINC000013964048 210097449 /nfs/dbraw/zinc/09/74/49/210097449.db2.gz GRWONPQKXIKKGR-UHFFFAOYSA-N 0 0 397.412 2.096 10 0 GEAERN O=C(c1ccc(Br)c(O)c1)N1CCCN(c2cccnn2)CC1 ZINC000152955272 531581681 /nfs/dbraw/zinc/58/16/81/531581681.db2.gz ZZKXRGUEDRYUCI-UHFFFAOYSA-N 0 0 377.242 2.297 10 0 GEAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc(Br)c(Cl)c2)c1 ZINC000153283009 531593566 /nfs/dbraw/zinc/59/35/66/531593566.db2.gz CDXBQJBEQQUOLV-UHFFFAOYSA-N 0 0 385.649 2.362 10 0 GEAERN Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3ccc(S(N)(=O)=O)cc3)cc12 ZINC000027324688 531624352 /nfs/dbraw/zinc/62/43/52/531624352.db2.gz XBJNBBWPUWEJMU-VIFPVBQESA-N 0 0 378.479 2.082 10 0 GEAERN O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)[C@@H]1CNC(=O)C1 ZINC000155076462 531654238 /nfs/dbraw/zinc/65/42/38/531654238.db2.gz RBBZGUNDKRKZEW-VIFPVBQESA-N 0 0 377.198 2.106 10 0 GEAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000155153529 531659362 /nfs/dbraw/zinc/65/93/62/531659362.db2.gz BNNJPIZUKZQGAS-SNVBAGLBSA-N 0 0 393.241 2.297 10 0 GEAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1ccc(Br)s1 ZINC000155214934 531664168 /nfs/dbraw/zinc/66/41/68/531664168.db2.gz YOYJVKBGJSNKOG-JTQLQIEISA-N 0 0 385.287 2.442 10 0 GEAERN C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000155650320 531694760 /nfs/dbraw/zinc/69/47/60/531694760.db2.gz IERIVSIMFFJJAS-DYEKYZERSA-N 0 0 378.416 2.377 10 0 GEAERN O=C([C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1)N1CCCO1 ZINC000155684532 531696172 /nfs/dbraw/zinc/69/61/72/531696172.db2.gz OCMILQKMICPHSJ-OAHLLOKOSA-N 0 0 378.475 2.028 10 0 GEAERN NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]1c1ccco1 ZINC000162938149 531852731 /nfs/dbraw/zinc/85/27/31/531852731.db2.gz RMODDTSRHRNVSJ-LBPRGKRZSA-N 0 0 384.841 2.323 10 0 GEAERN Cc1cnn(C[C@H]2CN(C(=O)[C@@H](O)c3cc(Cl)cc(Cl)c3)CCO2)c1 ZINC000164021222 531867158 /nfs/dbraw/zinc/86/71/58/531867158.db2.gz WPTDSJKYQMOIKB-CVEARBPZSA-N 0 0 384.263 2.459 10 0 GEAERN COC(=O)[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(C)c(Br)c1 ZINC000163587851 531860318 /nfs/dbraw/zinc/86/03/18/531860318.db2.gz WWVBCINOIKNPLA-CYBMUJFWSA-N 0 0 383.242 2.250 10 0 GEAERN O=S(=O)(c1ccc(CN2CCO[C@H](c3nccs3)C2)o1)N1CCCC1 ZINC000171663732 531910110 /nfs/dbraw/zinc/91/01/10/531910110.db2.gz HGZPJFMYHXEEKR-AWEZNQCLSA-N 0 0 383.495 2.094 10 0 GEAERN CS(=O)(=O)CCS(=O)(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000093944045 531929102 /nfs/dbraw/zinc/92/91/02/531929102.db2.gz IXRHXYAFAXQPSL-ZDUSSCGKSA-N 0 0 385.429 2.121 10 0 GEAERN Cn1cc([C@@H]2[C@@H](C(=O)NCCc3ccc(Cl)s3)CCC(=O)N2C)cn1 ZINC000172139076 531936598 /nfs/dbraw/zinc/93/65/98/531936598.db2.gz XPICBNHATNRAEW-XJKSGUPXSA-N 0 0 380.901 2.403 10 0 GEAERN CC(=O)NC[C@@H]1CN(C(=O)N[C@H](C)c2ccccc2Br)CCO1 ZINC000172267927 531943328 /nfs/dbraw/zinc/94/33/28/531943328.db2.gz OJVSPAQNLKKOJX-DGCLKSJQSA-N 0 0 384.274 2.057 10 0 GEAERN COC(=O)[C@@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000112634217 531949367 /nfs/dbraw/zinc/94/93/67/531949367.db2.gz BBJXWZQHJDTRKO-SNVBAGLBSA-N 0 0 393.237 2.316 10 0 GEAERN C[C@@H](NC(=O)N1CCS(=O)(=O)C[C@H]1C)c1ccccc1Br ZINC000172360496 531949914 /nfs/dbraw/zinc/94/99/14/531949914.db2.gz SBKHHMLWANQWEQ-GHMZBOCLSA-N 0 0 375.288 2.339 10 0 GEAERN O=C(N1CC[C@@H](N2CCOCC2)C1)C1(c2cccc(Br)c2)CC1 ZINC000172753628 531966402 /nfs/dbraw/zinc/96/64/02/531966402.db2.gz UZUHDCTYKXRNPL-MRXNPFEDSA-N 0 0 379.298 2.414 10 0 GEAERN O=C(c1[nH]c2ccccc2c1Br)N1CC[C@H](N2CCOCC2)C1 ZINC000172767345 531967319 /nfs/dbraw/zinc/96/73/19/531967319.db2.gz SCYCADDYTIZJJR-LBPRGKRZSA-N 0 0 378.270 2.477 10 0 GEAERN O=C(N1CC[C@H](N2CCOCC2)C1)C1(c2cccc(Br)c2)CC1 ZINC000172753622 531967392 /nfs/dbraw/zinc/96/73/92/531967392.db2.gz UZUHDCTYKXRNPL-INIZCTEOSA-N 0 0 379.298 2.414 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@H](C)Oc1cccc(Cl)c1 ZINC000172835666 531969251 /nfs/dbraw/zinc/96/92/51/531969251.db2.gz AJDJVZFYWXKQKN-CJNGLKHVSA-N 0 0 388.917 2.428 10 0 GEAERN CN1CCO[C@@H](CNC(=O)CCc2nc3cc(Br)ccc3s2)C1 ZINC000172921465 531974163 /nfs/dbraw/zinc/97/41/63/531974163.db2.gz DKZPVQWQPVSXKP-LBPRGKRZSA-N 0 0 398.326 2.438 10 0 GEAERN C[C@@H]1COC[C@H](C)N1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000120858365 531998465 /nfs/dbraw/zinc/99/84/65/531998465.db2.gz ZKUBVNHMOXOLKY-BETUJISGSA-N 0 0 387.311 2.146 10 0 GEAERN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)C(=O)N1CCC[C@H]1CO ZINC000120971760 532006437 /nfs/dbraw/zinc/00/64/37/532006437.db2.gz WSBNDGWAHPGCIA-VIFPVBQESA-N 0 0 395.175 2.390 10 0 GEAERN O=C(Nc1cc(Br)cc(C(F)(F)F)c1)C(=O)N1CCC[C@@H]1CO ZINC000121120155 532013116 /nfs/dbraw/zinc/01/31/16/532013116.db2.gz NUDNZTGSVXJASY-LLVKDONJSA-N 0 0 395.175 2.390 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)[C@H](C)Oc2cccc(Br)c2)CC1 ZINC000173585793 532020886 /nfs/dbraw/zinc/02/08/86/532020886.db2.gz XTLCPVSCLIVUBK-ZFWWWQNUSA-N 0 0 385.302 2.132 10 0 GEAERN COc1ccc(Br)c(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2O)c1 ZINC000121323506 532023921 /nfs/dbraw/zinc/02/39/21/532023921.db2.gz ZJHBREYVAAEOJM-GWCFXTLKSA-N 0 0 378.288 2.287 10 0 GEAERN Cc1ccc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)c(Br)c1 ZINC000173693871 532027812 /nfs/dbraw/zinc/02/78/12/532027812.db2.gz AQBXRUBKHSLCEB-LBPRGKRZSA-N 0 0 392.257 2.151 10 0 GEAERN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000121493265 532032268 /nfs/dbraw/zinc/03/22/68/532032268.db2.gz PAQRPQLQBKOYPC-DGCLKSJQSA-N 0 0 388.281 2.149 10 0 GEAERN Cc1nnc([C@H]2CN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CCO2)[nH]1 ZINC000173838043 532036771 /nfs/dbraw/zinc/03/67/71/532036771.db2.gz DIODDLHFLNRRRT-CYBMUJFWSA-N 0 0 391.280 2.323 10 0 GEAERN C[C@H]1CN(C(=O)COc2ccc(Br)cc2)C[C@H]1N1CCOCC1 ZINC000173824158 532035845 /nfs/dbraw/zinc/03/58/45/532035845.db2.gz IALOYTCAIZXBBK-XJKSGUPXSA-N 0 0 383.286 2.007 10 0 GEAERN C[C@@H]1CCCN(C(=O)c2ccc(NC3=N[C@H]4CS(=O)(=O)C[C@@H]4S3)cc2)C1 ZINC000006918187 209708087 /nfs/dbraw/zinc/70/80/87/209708087.db2.gz UXFOFOSSINHHES-KCXAZCMYSA-N 0 0 393.534 2.239 10 0 GEAERN COc1ccc(Br)c(NC(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000173899391 532040182 /nfs/dbraw/zinc/04/01/82/532040182.db2.gz MSOGZHOYUOPCGL-GFCCVEGCSA-N 0 0 384.274 2.396 10 0 GEAERN C[C@H]1CN(C(=O)c2cccnc2SC(F)(F)F)C[C@@H]1N1CCOCC1 ZINC000173972739 532043327 /nfs/dbraw/zinc/04/33/27/532043327.db2.gz AMQXEVLDZHJING-AAEUAGOBSA-N 0 0 375.416 2.486 10 0 GEAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cccc(Br)c1 ZINC000121698749 532041865 /nfs/dbraw/zinc/04/18/65/532041865.db2.gz OTRODCNVGHRWQX-GFCCVEGCSA-N 0 0 392.257 2.193 10 0 GEAERN O=S(=O)(c1cccc2c1N=S=N2)N1CCC(Nc2cccnn2)CC1 ZINC000122230190 532062569 /nfs/dbraw/zinc/06/25/69/532062569.db2.gz MGCDPTPUXBYDNU-UHFFFAOYSA-N 0 0 376.467 2.468 10 0 GEAERN O=S(=O)(c1cc2c(cc1Cl)OCCO2)N1CCC(c2cc[nH]n2)CC1 ZINC000122436556 532070154 /nfs/dbraw/zinc/07/01/54/532070154.db2.gz JHOHPLPMCIGFJZ-UHFFFAOYSA-N 0 0 383.857 2.403 10 0 GEAERN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(Cl)c2S(C)(=O)=O)o1 ZINC000174588503 532071010 /nfs/dbraw/zinc/07/10/10/532071010.db2.gz AHUXGCPLOZSKPD-SNVBAGLBSA-N 0 0 384.841 2.461 10 0 GEAERN CN(C(=O)c1cc(Br)cn1C)[C@H]1CCCN(c2cccnn2)C1 ZINC000122549627 532074508 /nfs/dbraw/zinc/07/45/08/532074508.db2.gz OPLOGDPPHQEVAU-ZDUSSCGKSA-N 0 0 378.274 2.319 10 0 GEAERN C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)C[C@@H](C)O1 ZINC000122683210 532080161 /nfs/dbraw/zinc/08/01/61/532080161.db2.gz BWGKGPUOTKEHQO-HTQZYQBOSA-N 0 0 377.185 2.302 10 0 GEAERN CCc1nnc([C@@H]2CN(C(=O)COc3ccccc3Br)CCO2)[nH]1 ZINC000123087210 532092053 /nfs/dbraw/zinc/09/20/53/532092053.db2.gz SVQYMVKXQHGHSQ-ZDUSSCGKSA-N 0 0 395.257 2.109 10 0 GEAERN C[C@@H]1CN(C(=O)COc2ccccc2Br)C[C@@H]1N1CCOCC1 ZINC000123124992 532093158 /nfs/dbraw/zinc/09/31/58/532093158.db2.gz CQDUGCLYSBLXEB-HIFRSBDPSA-N 0 0 383.286 2.007 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)NCCc3ccc(Br)cc3)CCO2)[nH]1 ZINC000175547336 532107444 /nfs/dbraw/zinc/10/74/44/532107444.db2.gz KWAUJNHHDRCLIA-AWEZNQCLSA-N 0 0 394.273 2.201 10 0 GEAERN C[C@H](NC(=O)C(=O)Nc1cc(Br)cn(C)c1=O)c1cccs1 ZINC000175843269 532117461 /nfs/dbraw/zinc/11/74/61/532117461.db2.gz TWOICTNHHNTKRS-QMMMGPOBSA-N 0 0 384.255 2.025 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc(Br)c(C)c1 ZINC000176019678 532122946 /nfs/dbraw/zinc/12/29/46/532122946.db2.gz XLSUQWZIUMXQDK-CYBMUJFWSA-N 0 0 392.257 2.247 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccc(C)cc1Br ZINC000176017706 532123127 /nfs/dbraw/zinc/12/31/27/532123127.db2.gz XVBKCIHKJLVXPF-ZDUSSCGKSA-N 0 0 392.257 2.247 10 0 GEAERN O=S(=O)(CCN1CCN2CCCC[C@@H]2C1)c1cccc(Br)c1 ZINC000175687615 532111929 /nfs/dbraw/zinc/11/19/29/532111929.db2.gz MYQDWMOBGGLWGY-OAHLLOKOSA-N 0 0 387.343 2.393 10 0 GEAERN C[C@@H](CNC(=O)N[C@H]1CCc2ncnn2C1)Oc1ccccc1Br ZINC000175787752 532114797 /nfs/dbraw/zinc/11/47/97/532114797.db2.gz CQXIXFGXVMBEEH-RYUDHWBXSA-N 0 0 394.273 2.122 10 0 GEAERN C[C@@H](NC(N)=O)C(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 ZINC000176261375 532131462 /nfs/dbraw/zinc/13/14/62/532131462.db2.gz JMQCIYIDYFAXDO-SECBINFHSA-N 0 0 380.857 2.327 10 0 GEAERN COC[C@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)OC ZINC000176251295 532131686 /nfs/dbraw/zinc/13/16/86/532131686.db2.gz ASILEIDIFBXSBE-BONVTDFDSA-N 0 0 397.269 2.413 10 0 GEAERN C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCS[C@H](C)C1 ZINC000125214855 532133812 /nfs/dbraw/zinc/13/38/12/532133812.db2.gz URCIEYREBFRMPU-MNOVXSKESA-N 0 0 396.456 2.336 10 0 GEAERN COc1ccc(Cl)cc1NC(=O)CC[S@](=O)Cc1nnnn1C(C)C ZINC000176573505 532141409 /nfs/dbraw/zinc/14/14/09/532141409.db2.gz ZQFZUVOEGBXPLW-VWLOTQADSA-N 0 0 385.877 2.194 10 0 GEAERN C[C@@H]1CN(Cc2cc3c(cc2Br)OCO3)C[C@@H]1N1CCOCC1 ZINC000177276141 532167839 /nfs/dbraw/zinc/16/78/39/532167839.db2.gz ZMRFEPVTJSJTJY-DOMZBBRYSA-N 0 0 383.286 2.330 10 0 GEAERN O=C(NCc1cc2c(c(Br)c1)OCO2)N[C@@H]1CCCn2ncnc21 ZINC000177322085 532168204 /nfs/dbraw/zinc/16/82/04/532168204.db2.gz OJKZTNPHIKDFMR-LLVKDONJSA-N 0 0 394.229 2.104 10 0 GEAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1cccnc1Br ZINC000177356008 532169925 /nfs/dbraw/zinc/16/99/25/532169925.db2.gz MGNMTKOBJAEKTN-LBPRGKRZSA-N 0 0 381.251 2.493 10 0 GEAERN C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)C[C@@H]1N1CCOCC1 ZINC000176994145 532157657 /nfs/dbraw/zinc/15/76/57/532157657.db2.gz RTIUPJLFBBCLGX-AAEUAGOBSA-N 0 0 379.309 2.335 10 0 GEAERN C[C@@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1N1CCOCC1 ZINC000176990616 532158132 /nfs/dbraw/zinc/15/81/32/532158132.db2.gz JJFOIOIOJBNZBV-DOMZBBRYSA-N 0 0 378.416 2.047 10 0 GEAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)[C@H]2CSCCS2)CC1 ZINC000177191991 532164508 /nfs/dbraw/zinc/16/45/08/532164508.db2.gz VDXSRIZEYCQQBV-CQSZACIVSA-N 0 0 388.990 2.129 10 0 GEAERN C[C@H](CNC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1)N1CCOCC1 ZINC000129717105 532183307 /nfs/dbraw/zinc/18/33/07/532183307.db2.gz VOKDFYSAZAHHBZ-CYBMUJFWSA-N 0 0 390.311 2.218 10 0 GEAERN COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000129398142 532177125 /nfs/dbraw/zinc/17/71/25/532177125.db2.gz KXAXHYRHSAGHSF-GFCCVEGCSA-N 0 0 388.852 2.339 10 0 GEAERN C[C@H](CNC(=O)Cc1c[nH]c2cc(Br)ccc12)N1CCOCC1 ZINC000129399662 532177341 /nfs/dbraw/zinc/17/73/41/532177341.db2.gz RRCBWXHHEKUHFT-GFCCVEGCSA-N 0 0 380.286 2.310 10 0 GEAERN CC(C)(C)N(CCS(C)(=O)=O)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000131581607 532200342 /nfs/dbraw/zinc/20/03/42/532200342.db2.gz IHJSOYKVSZPAMP-INIZCTEOSA-N 0 0 377.934 2.363 10 0 GEAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(Br)c(C)[nH]c1=O ZINC000131871538 532205549 /nfs/dbraw/zinc/20/55/49/532205549.db2.gz PLUCVYRIRWPHFU-NSHDSACASA-N 0 0 380.246 2.277 10 0 GEAERN O=C(CNC(=O)c1ccc(Br)s1)N1CCC(c2cc[nH]n2)CC1 ZINC000131942703 532206623 /nfs/dbraw/zinc/20/66/23/532206623.db2.gz KRPSISKOFFRPTL-UHFFFAOYSA-N 0 0 397.298 2.370 10 0 GEAERN O=C(Cc1cc(Br)ccc1F)N1CCO[C@H](Cn2cccn2)C1 ZINC000132333551 532214119 /nfs/dbraw/zinc/21/41/19/532214119.db2.gz JGGKQHHLRBCEHK-AWEZNQCLSA-N 0 0 382.233 2.255 10 0 GEAERN O=C(NCCNS(=O)(=O)c1cccs1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000133170657 532228560 /nfs/dbraw/zinc/22/85/60/532228560.db2.gz PWAKNZVDKOINAH-NEPJUHHUSA-N 0 0 386.445 2.225 10 0 GEAERN Brc1cc(CN2CCO[C@@H](Cn3cccn3)C2)cc2c1OCCO2 ZINC000179533057 532234358 /nfs/dbraw/zinc/23/43/58/532234358.db2.gz BUIKVPOOEFTREO-CQSZACIVSA-N 0 0 394.269 2.318 10 0 GEAERN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2CO)cc1Cl ZINC000134036201 532248761 /nfs/dbraw/zinc/24/87/61/532248761.db2.gz NMAFOANXGBNWOY-GXFFZTMASA-N 0 0 378.853 2.267 10 0 GEAERN Cn1cc([C@@H]2[C@@H](C(=O)Nc3ccc(Br)nc3)CCC(=O)N2C)cn1 ZINC000134246153 532253250 /nfs/dbraw/zinc/25/32/50/532253250.db2.gz BPQFZILHZDIYAV-SWLSCSKDSA-N 0 0 392.257 2.126 10 0 GEAERN O=C(c1c[nH]c(=O)c(Br)c1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000180073869 532255606 /nfs/dbraw/zinc/25/56/06/532255606.db2.gz SWXMQCUSRLCGDS-HZMBPMFUSA-N 0 0 399.191 2.364 10 0 GEAERN CCn1c(C)nnc1CS(=O)(=O)CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000180093467 532257169 /nfs/dbraw/zinc/25/71/69/532257169.db2.gz GJCHPZXDXRAYPP-NSHDSACASA-N 0 0 384.889 2.052 10 0 GEAERN O=C(CCc1ccc(Cl)s1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000136436235 532285062 /nfs/dbraw/zinc/28/50/62/532285062.db2.gz YXDYOYZDQQDCHM-UHFFFAOYSA-N 0 0 376.873 2.121 10 0 GEAERN Cc1cccc(S(=O)(=O)N2CCC[C@@H](Cn3cncn3)C2)c1Br ZINC000180970249 532287521 /nfs/dbraw/zinc/28/75/21/532287521.db2.gz HMMWKWVYTAICEA-ZDUSSCGKSA-N 0 0 399.314 2.450 10 0 GEAERN CCc1ccc([C@@H](C)NS(=O)(=O)c2cccc(S(=O)(=O)NC)c2)cc1 ZINC000144980326 532296626 /nfs/dbraw/zinc/29/66/26/532296626.db2.gz QNKLRUBYODOUIU-CYBMUJFWSA-N 0 0 382.507 2.197 10 0 GEAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Br)sc2C)C1 ZINC000149747017 532300434 /nfs/dbraw/zinc/30/04/34/532300434.db2.gz GWEWHWILUIZEOH-SECBINFHSA-N 0 0 382.301 2.393 10 0 GEAERN COc1cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)ccc1Br ZINC000150771991 532301182 /nfs/dbraw/zinc/30/11/82/532301182.db2.gz ODHSIPGUMFVCNX-FZMZJTMJSA-N 0 0 398.301 2.241 10 0 GEAERN COc1cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)ccc1Br ZINC000150771972 532301385 /nfs/dbraw/zinc/30/13/85/532301385.db2.gz ODHSIPGUMFVCNX-RISCZKNCSA-N 0 0 398.301 2.241 10 0 GEAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000182109674 532309655 /nfs/dbraw/zinc/30/96/55/532309655.db2.gz BSCAGDXCMXYDJH-SNVBAGLBSA-N 0 0 375.376 2.068 10 0 GEAERN CC(C)c1nnc(NC(=O)CN[C@@H](C)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000182187052 532310182 /nfs/dbraw/zinc/31/01/82/532310182.db2.gz HHDVKFHYDBMIRX-NSHDSACASA-N 0 0 382.511 2.354 10 0 GEAERN CNC(=O)[C@H]1CCCN1C(=O)NCCCc1ccc(Br)cc1OC ZINC000182635338 532315765 /nfs/dbraw/zinc/31/57/65/532315765.db2.gz GJDMELSNERYNST-CQSZACIVSA-N 0 0 398.301 2.310 10 0 GEAERN CC(C)Cn1c(N)c(C(=O)CN[C@@H](C)c2ccc(Cl)s2)c(=O)[nH]c1=O ZINC000183011539 532320853 /nfs/dbraw/zinc/32/08/53/532320853.db2.gz LSKDXZIYZPKWSH-VIFPVBQESA-N 0 0 384.889 2.023 10 0 GEAERN COCC(=O)NC1CN(C(=O)NCC(C)(C)c2c(Cl)cccc2Cl)C1 ZINC000185372397 532337767 /nfs/dbraw/zinc/33/77/67/532337767.db2.gz DTDGAVWUCKSALK-UHFFFAOYSA-N 0 0 388.295 2.427 10 0 GEAERN CC[C@H](O)CN1CCN(S(=O)(=O)c2ccc(SC)c(Cl)c2)CC1 ZINC000185894885 532338968 /nfs/dbraw/zinc/33/89/68/532338968.db2.gz HIHKOVATDZHJLT-LBPRGKRZSA-N 0 0 378.947 2.139 10 0 GEAERN C[C@@H](NC(=O)NCC1CN(S(C)(=O)=O)C1)c1c(Cl)ccc(F)c1Cl ZINC000186291329 532340356 /nfs/dbraw/zinc/34/03/56/532340356.db2.gz CUABNORBVUHEIS-MRVPVSSYSA-N 0 0 398.287 2.384 10 0 GEAERN Cc1noc([C@@H]2COCCN2C(=O)c2cc3sc(N(C)C)nc3s2)n1 ZINC000186617255 532341446 /nfs/dbraw/zinc/34/14/46/532341446.db2.gz HFVARSKKEATCKT-VIFPVBQESA-N 0 0 379.467 2.329 10 0 GEAERN CC[C@@H]1CN(Cc2cccc(Cl)c2S(=O)(=O)CC)CCN1C[C@@H](C)O ZINC000186940648 532342638 /nfs/dbraw/zinc/34/26/38/532342638.db2.gz CWWRYCDQEDHBJI-GDBMZVCRSA-N 0 0 388.961 2.411 10 0 GEAERN COc1cc(Br)c(F)cc1S(=O)(=O)NCCn1cc(C)cn1 ZINC000183668004 532327568 /nfs/dbraw/zinc/32/75/68/532327568.db2.gz GUAAUCFIVGHGCS-UHFFFAOYSA-N 0 0 392.250 2.080 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NCc1cccc(Cl)c1S(=O)(=O)CC)CC2 ZINC000187219104 532343485 /nfs/dbraw/zinc/34/34/85/532343485.db2.gz RIOBRCXYKMDRSC-ZDUSSCGKSA-N 0 0 382.917 2.392 10 0 GEAERN CC(C)c1nc([C@@H]2CCCN2S(=O)(=O)c2cnn(CC(F)F)c2)no1 ZINC000187225112 532343498 /nfs/dbraw/zinc/34/34/98/532343498.db2.gz WGMGUNPIURIZFZ-NSHDSACASA-N 0 0 375.401 2.180 10 0 GEAERN C[C@H](COCc1ccccc1)NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000184959844 532336242 /nfs/dbraw/zinc/33/62/42/532336242.db2.gz DNJBQELSRHCQNB-GFCCVEGCSA-N 0 0 377.388 2.329 10 0 GEAERN CCc1nnc([C@H]2CN(C(=O)c3nc(Br)ccc3C)CCO2)[nH]1 ZINC000187876477 532346020 /nfs/dbraw/zinc/34/60/20/532346020.db2.gz NROHJTSIYZGJSG-SNVBAGLBSA-N 0 0 380.246 2.047 10 0 GEAERN C[C@@H]1CN(C(=O)Cc2ccc(F)cc2Br)C[C@@H]1N1CCOCC1 ZINC000188178706 532347217 /nfs/dbraw/zinc/34/72/17/532347217.db2.gz QKRSLPOYGBDYMR-WBMJQRKESA-N 0 0 385.277 2.310 10 0 GEAERN O=C(c1cc(I)ccc1O)N1CCC[C@@H]1Cn1ccnc1 ZINC000188977647 532350496 /nfs/dbraw/zinc/35/04/96/532350496.db2.gz BVZCTBIKEJNREV-GFCCVEGCSA-N 0 0 397.216 2.498 10 0 GEAERN O=C(CSCC(=O)N1CC(NC(=O)C2CCC2)C1)c1ccc(Cl)cc1 ZINC000189224660 532351369 /nfs/dbraw/zinc/35/13/69/532351369.db2.gz FIMPZSOLVRQQLV-UHFFFAOYSA-N 0 0 380.897 2.383 10 0 GEAERN Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CCCNC(=O)[C@@H]1C ZINC000189232028 532351416 /nfs/dbraw/zinc/35/14/16/532351416.db2.gz GZXBFNBUMFTWLE-JTQLQIEISA-N 0 0 393.237 2.215 10 0 GEAERN Cc1ccc(OCCC(=O)N2CC(NC(=O)C3CC3)C2)c(Br)c1 ZINC000189392154 532351919 /nfs/dbraw/zinc/35/19/19/532351919.db2.gz JPWTXLZIOPLVMA-UHFFFAOYSA-N 0 0 381.270 2.263 10 0 GEAERN O=S(=O)(CCc1ccc2c(c1)CCO2)N1CCO[C@H](c2nccs2)C1 ZINC000189604003 532352881 /nfs/dbraw/zinc/35/28/81/532352881.db2.gz FWHQISAAXDFWID-INIZCTEOSA-N 0 0 380.491 2.024 10 0 GEAERN COc1cc(Br)ccc1[C@@H](C)NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000189714195 532353330 /nfs/dbraw/zinc/35/33/30/532353330.db2.gz TVXKNKTUZBXUCG-ZYHUDNBSSA-N 0 0 394.273 2.424 10 0 GEAERN CCN(C[C@H](O)C(F)(F)F)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000190082157 532354842 /nfs/dbraw/zinc/35/48/42/532354842.db2.gz ROKQBVLHPVTOBF-GWCFXTLKSA-N 0 0 382.404 2.106 10 0 GEAERN O=C(Nc1ccc(Br)nc1)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000190156622 532355067 /nfs/dbraw/zinc/35/50/67/532355067.db2.gz PIYNSBGEPOIOOJ-GFCCVEGCSA-N 0 0 378.230 2.260 10 0 GEAERN Cc1ccc([C@H](CNC(=O)NCCOCC(F)F)N2CCOCC2)s1 ZINC000190201064 532355178 /nfs/dbraw/zinc/35/51/78/532355178.db2.gz NLCWVHFGBACVKW-ZDUSSCGKSA-N 0 0 377.457 2.011 10 0 GEAERN C[C@H]1CCN(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)CCS1(=O)=O ZINC000190584434 532356853 /nfs/dbraw/zinc/35/68/53/532356853.db2.gz LONJHCDXFKFVRM-JSGCOSHPSA-N 0 0 378.416 2.379 10 0 GEAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000190987242 532359083 /nfs/dbraw/zinc/35/90/83/532359083.db2.gz ANKHVPXAXWMSJN-SSDOTTSWSA-N 0 0 399.669 2.141 10 0 GEAERN CCS(=O)(=O)c1cccc(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000187661631 532345073 /nfs/dbraw/zinc/34/50/73/532345073.db2.gz ASDVDVLBEWZRKD-RDJZCZTQSA-N 0 0 379.503 2.390 10 0 GEAERN CCn1cc([C@@H]2CN(C(=O)c3ccc(OC)c(Br)n3)CCO2)cn1 ZINC000191725215 532364471 /nfs/dbraw/zinc/36/44/71/532364471.db2.gz QNKFFCCEDNLJPG-AWEZNQCLSA-N 0 0 395.257 2.283 10 0 GEAERN C[C@@H](O)CN1CCN(C(=O)c2cc(Br)c(F)cc2F)C[C@@H]1C ZINC000192136096 532389335 /nfs/dbraw/zinc/38/93/35/532389335.db2.gz RFEYTEUAPBAQQB-VHSXEESVSA-N 0 0 377.229 2.254 10 0 GEAERN O=C(Nc1ccc(Br)cn1)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000194147645 532442993 /nfs/dbraw/zinc/44/29/93/532442993.db2.gz UOVAIZVDBXZVFS-GFCCVEGCSA-N 0 0 378.230 2.260 10 0 GEAERN C[C@H](NC(=O)NCC(=O)NCC(F)(F)F)c1ccccc1Br ZINC000194271577 532445741 /nfs/dbraw/zinc/44/57/41/532445741.db2.gz KPYSBENZYHYOID-QMMMGPOBSA-N 0 0 382.180 2.488 10 0 GEAERN CC(C)NS(=O)(=O)CCNC(=O)N[C@@H](C)c1ccccc1Br ZINC000194462019 532451246 /nfs/dbraw/zinc/45/12/46/532451246.db2.gz LAKNVMVBQIVQDG-NSHDSACASA-N 0 0 392.319 2.137 10 0 GEAERN CN1CCO[C@H](CNC(=O)c2ccc(Br)cc2Br)C1 ZINC000218777564 532483248 /nfs/dbraw/zinc/48/32/48/532483248.db2.gz RVLAEOWKZNBOIQ-SNVBAGLBSA-N 0 0 392.091 2.272 10 0 GEAERN CC[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CCN1C[C@H](C)O ZINC000246876803 532544162 /nfs/dbraw/zinc/54/41/62/532544162.db2.gz DHRYTFXJQMYMGH-NHYWBVRUSA-N 0 0 388.295 2.236 10 0 GEAERN C[C@H](NC(=O)CN1CC[C@@H](N2CCOCC2)C1)c1ccc(Br)cc1 ZINC000246142993 532532502 /nfs/dbraw/zinc/53/25/02/532532502.db2.gz DWIQBSDJHLSGEH-WMLDXEAASA-N 0 0 396.329 2.033 10 0 GEAERN C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)[C@H]1CCCO1 ZINC000248263594 532551264 /nfs/dbraw/zinc/55/12/64/532551264.db2.gz RLYBQKUAMAVGHC-SLEUVZQESA-N 0 0 381.270 2.486 10 0 GEAERN C[C@@H](C(=O)N(C)C)S(=O)(=O)N1C[C@@H](c2ccccc2Cl)OCC1(C)C ZINC000249038689 532558355 /nfs/dbraw/zinc/55/83/55/532558355.db2.gz TZYBVPXDFAYKDK-WFASDCNBSA-N 0 0 388.917 2.298 10 0 GEAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)CC1 ZINC000263045120 532612619 /nfs/dbraw/zinc/61/26/19/532612619.db2.gz WCOUGMLZWDOQOF-ZDUSSCGKSA-N 0 0 392.880 2.180 10 0 GEAERN O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CC(F)(F)CN1 ZINC000263042973 532612628 /nfs/dbraw/zinc/61/26/28/532612628.db2.gz SZILJYLBDOINRB-FZMZJTMJSA-N 0 0 388.256 2.389 10 0 GEAERN CO[C@@H]1C[C@@H](CO)N(C(=O)c2ccc(Br)cc2Br)C1 ZINC000284985543 532637804 /nfs/dbraw/zinc/63/78/04/532637804.db2.gz XZCNICFLYIYKQW-VHSXEESVSA-N 0 0 393.075 2.433 10 0 GEAERN C[C@@H](Nc1cnn(C)c(=O)c1Br)c1cn(-c2ccccc2)nn1 ZINC000301658711 532756221 /nfs/dbraw/zinc/75/62/21/532756221.db2.gz LWKLLUCXIGQHJA-SNVBAGLBSA-N 0 0 375.230 2.297 10 0 GEAERN CCc1nn(C)c(CC)c1S(=O)(=O)N1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000328611636 532794093 /nfs/dbraw/zinc/79/40/93/532794093.db2.gz MDTFNVWOVPBIHH-KGLIPLIRSA-N 0 0 383.539 2.003 10 0 GEAERN C[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@H](C)[NH2+]1 ZINC000013649616 209234736 /nfs/dbraw/zinc/23/47/36/209234736.db2.gz CMGSYIRPKZAEFD-AOOOYVTPSA-N 0 0 377.391 2.499 10 0 GEAERN CCOCCOC1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1 ZINC000005422601 209230646 /nfs/dbraw/zinc/23/06/46/209230646.db2.gz IKENENNCVAKUBU-UHFFFAOYSA-N 0 0 376.457 2.251 10 0 GEAERN C[C@]1(c2ccc(Cl)cc2)CC(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O ZINC000003628935 209229715 /nfs/dbraw/zinc/22/97/15/209229715.db2.gz HWKLLEASJCIBRD-QGZVFWFLSA-N 0 0 378.837 2.209 10 0 GEAERN COc1ccc([C@@H]2Oc3cc(OC)c(OC)c(O)c3C(=O)[C@H]2OC)cc1O ZINC000001722159 209229497 /nfs/dbraw/zinc/22/94/97/209229497.db2.gz LVMHZZSYSNZUCT-PKOBYXMFSA-N 0 0 376.361 2.455 10 0 GEAERN CCN1C(=O)c2cccc3c2c1c(Cl)cc3S(=O)(=O)N1CCOCC1 ZINC000035686202 209183088 /nfs/dbraw/zinc/18/30/88/209183088.db2.gz PTOOGAWZVMZTOD-UHFFFAOYSA-N 0 0 380.853 2.494 10 0 GEAERN COC(=O)[C@@H]1C[C@@H](NC(=O)c2cncs2)CN1Cc1c(F)cccc1Cl ZINC000299790511 212038918 /nfs/dbraw/zinc/03/89/18/212038918.db2.gz BQCQLYSEYMOTTF-YGRLFVJLSA-N 0 0 397.859 2.482 10 0 GEAERN C[C@H]1CN2C=CN=C(N3CCN(C(=O)Cc4c(F)cccc4Cl)CC3)C2=N1 ZINC000065261148 211955552 /nfs/dbraw/zinc/95/55/52/211955552.db2.gz KLIMVNKADSTXIW-ZDUSSCGKSA-N 0 0 389.862 2.152 10 0 GEAERN Cc1cc(C)cc(NC(=O)CSc2nnc(Cc3ccccc3)c(=O)n2N)c1 ZINC000027546342 211860194 /nfs/dbraw/zinc/86/01/94/211860194.db2.gz PGEOCRQYMGLEHA-UHFFFAOYSA-N 0 0 395.488 2.291 10 0 GEAERN CCc1cc(CC)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc(C)c2)n1 ZINC000012518786 211685618 /nfs/dbraw/zinc/68/56/18/211685618.db2.gz UDXCVFXXXSXOLW-UHFFFAOYSA-N 0 0 392.463 2.091 10 0 GEAERN CC1Cn2c(nc3c2c(=O)n(Cc2ccc(Cl)c(Cl)c2)c(=O)n3C)N=N1 ZINC000010370063 211666854 /nfs/dbraw/zinc/66/68/54/211666854.db2.gz PKNWOTUHLFDQNY-UHFFFAOYSA-N 0 0 393.234 2.053 10 0 GEAERN CC(=O)NCc1csc([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 ZINC000096372810 211338232 /nfs/dbraw/zinc/33/82/32/211338232.db2.gz MSDFHGAZNANDEE-CQSZACIVSA-N 0 0 379.507 2.348 10 0 GEAERN CC(C)(C)OC(=O)N1CCC[C@@](C(=O)[O-])(C(=O)OCc2ccccc2)[C@H]1[NH3+] ZINC000090601305 211187744 /nfs/dbraw/zinc/18/77/44/211187744.db2.gz CCDDHLPQWUFMKZ-IFXJQAMLSA-N 0 0 378.425 2.117 10 0 GEAERN CC(C)(C)OC(=O)N1CCC[C@](C(=O)[O-])(C(=O)OCc2ccccc2)[C@@H]1[NH3+] ZINC000090601302 211187425 /nfs/dbraw/zinc/18/74/25/211187425.db2.gz CCDDHLPQWUFMKZ-KUHUBIRLSA-N 0 0 378.425 2.117 10 0 GEAERN O=C(C[C@@H]1COCCN1Cc1cnc(NCc2ccccc2)nc1)N1CC=CC1 ZINC000072458915 211122828 /nfs/dbraw/zinc/12/28/28/211122828.db2.gz XPQIWFBPWNHXIF-HXUWFJFHSA-N 0 0 393.491 2.078 10 0 GEAERN Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@@](O)(CO)CC3)s2)cs1 ZINC000072141908 211074248 /nfs/dbraw/zinc/07/42/48/211074248.db2.gz PMXPKASQXOWYQD-HNNXBMFYSA-N 0 0 388.536 2.078 10 0 GEAERN CCc1ccc([C@]2(Cc3cc(OC)c(OC)c(OC)c3)NC(N)=NC2=O)cc1 ZINC000071974384 211066774 /nfs/dbraw/zinc/06/67/74/211066774.db2.gz XIDXMLAQUYXGSW-NRFANRHFSA-N 0 0 383.448 2.157 10 0 GEAERN CCc1[nH]c2c(cc(C)cc2CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)c1C ZINC000071415813 211046301 /nfs/dbraw/zinc/04/63/01/211046301.db2.gz DFRFNRIBKMOUEF-KRWDZBQOSA-N 0 0 377.510 2.387 10 0 GEAERN COCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CC12CCCCC2 ZINC000065259708 210982864 /nfs/dbraw/zinc/98/28/64/210982864.db2.gz NCMSZQAMEKVWGH-KRWDZBQOSA-N 0 0 380.510 2.020 10 0 GEAERN CN1c2ccccc2[C@@]2(CCN(S(=O)(=O)c3ccc(F)c(F)c3)C2)C1=O ZINC000065249221 210979560 /nfs/dbraw/zinc/97/95/60/210979560.db2.gz CGMAGCWFQOYPLS-SFHVURJKSA-N 0 0 378.400 2.274 10 0 GEAERN COC(=O)CC1=CC(=O)N(CC(=O)NCc2cccs2)c2ccccc2N1 ZINC000064869442 210952863 /nfs/dbraw/zinc/95/28/63/210952863.db2.gz DLVYLCOONXBENL-UHFFFAOYSA-N 0 0 385.445 2.270 10 0 GEAERN Cc1cccc(S(=O)(=O)N2CCc3c(c(-c4nc(C5CC5)no4)nn3C)C2)c1 ZINC000064566507 210941872 /nfs/dbraw/zinc/94/18/72/210941872.db2.gz KSBDUFCPYKRMAY-UHFFFAOYSA-N 0 0 399.476 2.403 10 0 GEAERN CC[C@@H](C)[C@@H]1NC2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N(C)C1=O ZINC000036029163 210706622 /nfs/dbraw/zinc/70/66/22/210706622.db2.gz COLUSIZWBSLZRJ-CJNGLKHVSA-N 0 0 399.944 2.297 10 0 GEAERN CC(C)NC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C1CCN(C(=O)C(C)C)CC1 ZINC000036158277 210711811 /nfs/dbraw/zinc/71/18/11/210711811.db2.gz JBPUBYCVMDRNTD-SFHVURJKSA-N 0 0 391.487 2.343 10 0 GEAERN CCCn1c2nn(CC(=O)c3ccc(OC)cc3)c(=O)n2c2ccccc2c1=O ZINC000035480019 210687757 /nfs/dbraw/zinc/68/77/57/210687757.db2.gz VVTRRRDNHDKCQK-UHFFFAOYSA-N 0 0 392.415 2.112 10 0 GEAERN Cn1ccnc(N2CCC[C@@H](NCc3sccc3Br)C2)c1=O ZINC000275655060 532880734 /nfs/dbraw/zinc/88/07/34/532880734.db2.gz UOLMRAQIWSURSU-LLVKDONJSA-N 0 0 383.315 2.363 10 0 GEAERN CC(=O)N1CSC[C@H]1C(=O)N1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000368944732 532935581 /nfs/dbraw/zinc/93/55/81/532935581.db2.gz GPSUWFPOPVHXGP-QWRGUYRKSA-N 0 0 376.404 2.056 10 0 GEAERN CCOC(=O)N1CCC(NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000024354252 210464096 /nfs/dbraw/zinc/46/40/96/210464096.db2.gz LZTCIFRKMJLJRY-AWEZNQCLSA-N 0 0 383.489 2.371 10 0 GEAERN Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2ccc(Cl)s2)o1 ZINC000023430656 210444695 /nfs/dbraw/zinc/44/46/95/210444695.db2.gz POUZFXYXNBYHDK-CQSZACIVSA-N 0 0 381.885 2.310 10 0 GEAERN O=C(N[C@H]1CCCc2ccccc21)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000022642542 210420291 /nfs/dbraw/zinc/42/02/91/210420291.db2.gz GACPVGGEMOYBPH-INIZCTEOSA-N 0 0 390.461 2.108 10 0 GEAERN COc1ccc(CN2C[C@@H](C(=O)N3CCNc4ccccc4C3)CC2=O)cc1 ZINC000020861461 210364283 /nfs/dbraw/zinc/36/42/83/210364283.db2.gz QQDYBQPZQYXUHJ-SFHVURJKSA-N 0 0 379.460 2.498 10 0 GEAERN O=C(NCc1ccc(Cl)cc1)[C@H]1CCCN(S(=O)(=O)N2CCCCC2)C1 ZINC000020511755 210343102 /nfs/dbraw/zinc/34/31/02/210343102.db2.gz PPFCCHIPZQBPAF-INIZCTEOSA-N 0 0 399.944 2.399 10 0 GEAERN CC(C)N1C[C@H](C(=O)Nc2ccc(C(=O)n3nnc4ccccc43)cc2)CC1=O ZINC000020369941 210329726 /nfs/dbraw/zinc/32/97/26/210329726.db2.gz NHADUCUZJOZTEP-OAHLLOKOSA-N 0 0 391.431 2.315 10 0 GEAERN Cc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000006546380 220940492 /nfs/dbraw/zinc/94/04/92/220940492.db2.gz INPIWONVOUMLGK-UHFFFAOYSA-N 0 0 377.491 2.372 10 0 GEAERN CCn1ccnc1CN(C)C(=O)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000011820289 221129888 /nfs/dbraw/zinc/12/98/88/221129888.db2.gz CSMROKQWBAIJGB-KRWDZBQOSA-N 0 0 386.471 2.482 10 0 GEAERN O=C(c1nc(-c2ccc(N3CCCCC3)nc2)no1)N1CCC2(CC1)OCCO2 ZINC000064758132 136157594 /nfs/dbraw/zinc/15/75/94/136157594.db2.gz FSRYTTAAPUOKEA-UHFFFAOYSA-N 0 0 399.451 2.101 10 0 GEAERN Cc1ccnc(N2CCC[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)C2)n1 ZINC000065001098 136158563 /nfs/dbraw/zinc/15/85/63/136158563.db2.gz YTUJKOBPMSBCQU-FQEVSTJZSA-N 0 0 379.508 2.346 10 0 GEAERN COc1ccc(CNC(=O)C2CCN(c3cncnc3N(C)C)CC2)cc1OC ZINC000065226248 136160254 /nfs/dbraw/zinc/16/02/54/136160254.db2.gz VEAGCSROVSTYGG-UHFFFAOYSA-N 0 0 399.495 2.093 10 0 GEAERN CN1C(=O)COc2cc(NC(=O)NCCc3noc(C4CCCC4)n3)ccc21 ZINC000095530137 136181987 /nfs/dbraw/zinc/18/19/87/136181987.db2.gz UAZMZDWGJDVWPP-UHFFFAOYSA-N 0 0 385.424 2.447 10 0 GEAERN COc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)N[C@H](C)c1ccccc1 ZINC000064837070 570559703 /nfs/dbraw/zinc/55/97/03/570559703.db2.gz YCXRIFPFFQSFBH-CYBMUJFWSA-N 0 0 385.445 2.485 10 0 GEAERN CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(C(=O)CCn1cncn1)CC2 ZINC000275546416 570695753 /nfs/dbraw/zinc/69/57/53/570695753.db2.gz DVWKIWRJNQITIM-KRWDZBQOSA-N 0 0 387.509 2.160 10 0 GEAERN COc1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[C@@H]3NC(=O)c2ccccc2)c1 ZINC000065266687 570769499 /nfs/dbraw/zinc/76/94/99/570769499.db2.gz DUJGCEZOMQAJOZ-BXWFABGCSA-N 0 0 386.473 2.277 10 0 GEAERN CCCCN(CC)S(=O)(=O)N1CCC(C(=O)NCCc2ccccc2)CC1 ZINC000004708624 570855216 /nfs/dbraw/zinc/85/52/16/570855216.db2.gz BEVPSWWJOBQCMV-UHFFFAOYSA-N 0 0 395.569 2.424 10 0 GEAERN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000097086294 570890534 /nfs/dbraw/zinc/89/05/34/570890534.db2.gz JEYQZYGVSFPERS-QGZVFWFLSA-N 0 0 378.498 2.393 10 0 GEAERN O=C(CCC(=O)N1CCC(Cc2ccccc2)CC1)Nc1nnc2ccccn21 ZINC000065314408 571022843 /nfs/dbraw/zinc/02/28/43/571022843.db2.gz QMQFKLUNVNOKGU-UHFFFAOYSA-N 0 0 391.475 2.929 10 0 GEAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(NS(C)(=O)=O)CC1 ZINC000010418776 642359880 /nfs/dbraw/zinc/35/98/80/642359880.db2.gz DKDMUACWLRJNDK-SNVBAGLBSA-N 0 0 395.308 2.301 10 0 GEAERN NS(=O)(=O)c1ccc2c(c1)CCCN2S(=O)(=O)/C=C/c1ccccc1 ZINC000010514483 642360171 /nfs/dbraw/zinc/36/01/71/642360171.db2.gz FGKFOMTXUKPQKC-ZRDIBKRKSA-N 0 0 378.475 2.087 10 0 GEAERN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Oc1ccc(F)cc1Br ZINC000041761865 642532204 /nfs/dbraw/zinc/53/22/04/642532204.db2.gz HPNNAGBFSORRFY-UHFFFAOYSA-N 0 0 393.168 2.197 10 0 GEAERN C[C@H](NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1ccccc1Br ZINC000042162938 642544062 /nfs/dbraw/zinc/54/40/62/642544062.db2.gz SLMISSLOAQAGFY-VIFPVBQESA-N 0 0 388.221 2.470 10 0 GEAERN C[C@@H](NS(=O)(=O)c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000044301407 642574000 /nfs/dbraw/zinc/57/40/00/642574000.db2.gz MGIFTPYISPPZOE-SNVBAGLBSA-N 0 0 375.418 2.408 10 0 GEAERN CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1csc(S(N)(=O)=O)c1 ZINC000066760201 642938134 /nfs/dbraw/zinc/93/81/34/642938134.db2.gz HCWVIQBOWWKBDK-AWEZNQCLSA-N 0 0 380.491 2.388 10 0 GEAERN CC(C)COc1ncc(CNc2ncc(S(N)(=O)=O)s2)cc1Cl ZINC000091680077 643065698 /nfs/dbraw/zinc/06/56/98/643065698.db2.gz GJJNIMLLWWBXAZ-UHFFFAOYSA-N 0 0 376.891 2.486 10 0 GEAERN COc1ncnc2c1CN(c1cc(Br)cc(F)c1C(N)=O)CC2 ZINC000092829450 643073714 /nfs/dbraw/zinc/07/37/14/643073714.db2.gz VCWDBXNAZPVEKV-UHFFFAOYSA-N 0 0 381.205 2.048 10 0 GEAERN O=C(CCNC(=O)N[C@@H]1CCCC[C@@H]1O)Nc1ccc(Br)cc1 ZINC000103309132 643161697 /nfs/dbraw/zinc/16/16/97/643161697.db2.gz KEOIFLIPQLBBQC-KGLIPLIRSA-N 0 0 384.274 2.380 10 0 GEAERN CCn1cnnc1[C@@H]1CCCN([C@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000104681892 643187447 /nfs/dbraw/zinc/18/74/47/643187447.db2.gz JYJKZPJQPCTWSK-HIFRSBDPSA-N 0 0 392.301 2.467 10 0 GEAERN CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000104798097 643194710 /nfs/dbraw/zinc/19/47/10/643194710.db2.gz SMLYOLMKWJIKCC-CQSZACIVSA-N 0 0 388.281 2.450 10 0 GEAERN COCCN1CCN(CC(=O)Nc2nc(-c3cccs3)cs2)C[C@@H]1C ZINC000106107392 643222395 /nfs/dbraw/zinc/22/23/95/643222395.db2.gz CXCAVRDTEHIVMY-ZDUSSCGKSA-N 0 0 380.539 2.463 10 0 GEAERN O[C@H](COc1cc(Cl)ccc1Cl)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000106189336 643224833 /nfs/dbraw/zinc/22/48/33/643224833.db2.gz OGPZYONDJMVETA-LSDHHAIUSA-N 0 0 386.279 2.331 10 0 GEAERN Cc1cc(Br)ccc1NC(=O)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000106193679 643225507 /nfs/dbraw/zinc/22/55/07/643225507.db2.gz LNQMTEFQCXEQSN-OAHLLOKOSA-N 0 0 393.285 2.294 10 0 GEAERN CN(Cc1ccccc1Br)C(=O)CN1CCC[C@H](n2cncn2)C1 ZINC000106219360 643226092 /nfs/dbraw/zinc/22/60/92/643226092.db2.gz KNFBSCUFSCDNCT-HNNXBMFYSA-N 0 0 392.301 2.336 10 0 GEAERN Cc1ccc(N2CCCN(C(=O)c3cncc(Br)c3)CC2)nn1 ZINC000109635013 643298512 /nfs/dbraw/zinc/29/85/12/643298512.db2.gz DMIYFFULBDQUGU-UHFFFAOYSA-N 0 0 376.258 2.295 10 0 GEAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Cn1cc(Br)ccc1=O ZINC000109672686 643299175 /nfs/dbraw/zinc/29/91/75/643299175.db2.gz FTHQLPRJIDPINQ-CQSZACIVSA-N 0 0 393.285 2.325 10 0 GEAERN O=C(c1cccc(I)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111082321 643326245 /nfs/dbraw/zinc/32/62/45/643326245.db2.gz PJOQBNWYIFGPOL-AWEZNQCLSA-N 0 0 397.216 2.029 10 0 GEAERN Cc1noc([C@@H](C)N2CCN(S(=O)(=O)c3ccc(Cl)cc3C)CC2)n1 ZINC000111344543 643335552 /nfs/dbraw/zinc/33/55/52/643335552.db2.gz DLRFVAPMUVKQKR-GFCCVEGCSA-N 0 0 384.889 2.407 10 0 GEAERN Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3Cl)CCO2)n1 ZINC000111345160 643335562 /nfs/dbraw/zinc/33/55/62/643335562.db2.gz PLLPJAIQQGEQRX-AWEZNQCLSA-N 0 0 387.864 2.382 10 0 GEAERN CCc1noc([C@@H](C)N2CCN(C(=O)c3cncc(Br)c3)CC2)n1 ZINC000112037315 643352417 /nfs/dbraw/zinc/35/24/17/643352417.db2.gz BSOAQQRHWQHOAK-LLVKDONJSA-N 0 0 394.273 2.309 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc(-c2cccnc2)cs1 ZINC000112882158 643375744 /nfs/dbraw/zinc/37/57/44/643375744.db2.gz RIVRTCKWRNGKSK-CQSZACIVSA-N 0 0 380.495 2.348 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1cccc(Br)c1)CC2 ZINC000114947716 643428437 /nfs/dbraw/zinc/42/84/37/643428437.db2.gz MQXQNPUGQVNWHP-ZDUSSCGKSA-N 0 0 378.274 2.417 10 0 GEAERN Cc1ccc(S(=O)(=O)N2CCCN(Cc3cnn(C)c3)CC2)c(Cl)c1 ZINC000115581290 643442082 /nfs/dbraw/zinc/44/20/82/643442082.db2.gz SLETYUNERZOIBM-UHFFFAOYSA-N 0 0 382.917 2.279 10 0 GEAERN Cn1cc([C@H]2CCN(CN3C(=O)C(=O)c4cc(Br)ccc43)C2)cn1 ZINC000116258923 643455840 /nfs/dbraw/zinc/45/58/40/643455840.db2.gz CXPNCCBNUYZJAI-NSHDSACASA-N 0 0 389.253 2.159 10 0 GEAERN Cn1cc([C@H]2CCN(S(=O)(=O)c3sccc3Br)C2)cn1 ZINC000116371010 643461126 /nfs/dbraw/zinc/46/11/26/643461126.db2.gz DMZPQAOJUZTZOU-VIFPVBQESA-N 0 0 376.301 2.422 10 0 GEAERN Cn1cc([C@H]2CCN(C(=O)C(=O)Nc3ccc(Br)cc3)C2)cn1 ZINC000116588184 643465596 /nfs/dbraw/zinc/46/55/96/643465596.db2.gz YUFYJLPRQCCREG-NSHDSACASA-N 0 0 377.242 2.137 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)c2cccc(Br)c2)C[C@@H]1C ZINC000117368804 643489399 /nfs/dbraw/zinc/48/93/99/643489399.db2.gz DVBVCSDATDGQPD-ZDUSSCGKSA-N 0 0 391.331 2.180 10 0 GEAERN C[C@@H](CNC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000118467262 643513789 /nfs/dbraw/zinc/51/37/89/643513789.db2.gz OJJXRYUBZXCENL-XHDPSFHLSA-N 0 0 376.284 2.047 10 0 GEAERN C[C@@H](NC(=O)NCCNS(=O)(=O)c1cccs1)c1ccc(F)c(F)c1 ZINC000119648080 643563435 /nfs/dbraw/zinc/56/34/35/643563435.db2.gz ZMCVUTQENRKGKF-SNVBAGLBSA-N 0 0 389.449 2.365 10 0 GEAERN CCc1nnc([C@H]2CN(C(=O)Nc3cccnc3Br)CCO2)[nH]1 ZINC000119810070 643572464 /nfs/dbraw/zinc/57/24/64/643572464.db2.gz KAUURGVGWPKZQR-SNVBAGLBSA-N 0 0 381.234 2.130 10 0 GEAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cncc(Br)c1 ZINC000126256426 643726092 /nfs/dbraw/zinc/72/60/92/643726092.db2.gz OVUHHFFBXFTZDD-LLVKDONJSA-N 0 0 381.234 2.239 10 0 GEAERN CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000130645344 643846758 /nfs/dbraw/zinc/84/67/58/643846758.db2.gz LMVWIXCRFLACQG-DGCLKSJQSA-N 0 0 399.285 2.454 10 0 GEAERN Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCC[C@@H]2c2ccco2)s1 ZINC000131275534 643869641 /nfs/dbraw/zinc/86/96/41/643869641.db2.gz CDFXOFRWOURQDU-CYBMUJFWSA-N 0 0 383.495 2.475 10 0 GEAERN Cc1noc([C@@H](C)N2CCN(C(=O)c3ccc(C)nc3Br)CC2)n1 ZINC000133200777 643893269 /nfs/dbraw/zinc/89/32/69/643893269.db2.gz UJFVIVHOZNEVMC-LLVKDONJSA-N 0 0 394.273 2.363 10 0 GEAERN CCn1ccnc1CSc1nnc(-c2cncc(Br)c2)n1N ZINC000134325983 643903571 /nfs/dbraw/zinc/90/35/71/643903571.db2.gz HJZDTVFFOFJCJE-UHFFFAOYSA-N 0 0 380.275 2.325 10 0 GEAERN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000151275282 643933909 /nfs/dbraw/zinc/93/39/09/643933909.db2.gz KNRTVGVKOXMUNW-SJKOYZFVSA-N 0 0 386.901 2.015 10 0 GEAERN Cn1nccc1C1CCN(Cn2nc(N3CCOCC3)sc2=S)CC1 ZINC000152196233 643964766 /nfs/dbraw/zinc/96/47/66/643964766.db2.gz VTFZHMNFDOECPA-UHFFFAOYSA-N 0 0 380.543 2.081 10 0 GEAERN CS(=O)(=O)CCOCCNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000153181543 643978438 /nfs/dbraw/zinc/97/84/38/643978438.db2.gz QZKKRAPWVPRXIW-NWDGAFQWSA-N 0 0 380.293 2.274 10 0 GEAERN O=C(NC[C@H](O)CN1CCOCC1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000154147701 644021416 /nfs/dbraw/zinc/02/14/16/644021416.db2.gz FBGOJYUQSGLOGM-HNNXBMFYSA-N 0 0 380.897 2.491 10 0 GEAERN O=C(CN1CC[C@H](Oc2cccnc2)C1)Nc1ccc(Br)cn1 ZINC000154626607 644056505 /nfs/dbraw/zinc/05/65/05/644056505.db2.gz SONLNZASEARAHF-AWEZNQCLSA-N 0 0 377.242 2.331 10 0 GEAERN O=C(CN1CCCS1(=O)=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000156761626 644115731 /nfs/dbraw/zinc/11/57/31/644115731.db2.gz JYYACSZRSSDYFW-GXFFZTMASA-N 0 0 377.293 2.249 10 0 GEAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(Br)cc1 ZINC000157068103 644129502 /nfs/dbraw/zinc/12/95/02/644129502.db2.gz VAYLVRYMICYDMN-GFCCVEGCSA-N 0 0 385.287 2.416 10 0 GEAERN CC[C@@H]1CN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCN1CCOC ZINC000158929640 644168563 /nfs/dbraw/zinc/16/85/63/644168563.db2.gz MLVPDJHWYJMCRD-LLVKDONJSA-N 0 0 382.313 2.120 10 0 GEAERN Cc1[nH]c(=O)c(C(=O)N2CCCN(c3cccnn3)CC2)cc1Br ZINC000163167524 644250645 /nfs/dbraw/zinc/25/06/45/644250645.db2.gz ZBBZOEABBDJCTG-UHFFFAOYSA-N 0 0 392.257 2.001 10 0 GEAERN O[C@@]12CCCC[C@H]1CN(Cn1nc(Br)nc1Br)CC2 ZINC000164949192 644269306 /nfs/dbraw/zinc/26/93/06/644269306.db2.gz XVQKMFYOSYHFBI-JOYOIKCWSA-N 0 0 394.111 2.388 10 0 GEAERN C[C@H](NC(=O)Nc1ccc(Br)nc1)c1ccc(S(N)(=O)=O)cc1 ZINC000166320888 644274219 /nfs/dbraw/zinc/27/42/19/644274219.db2.gz VXQWHLIBHKGLHE-VIFPVBQESA-N 0 0 399.270 2.374 10 0 GEAERN CC(C)c1nnc2n1C[C@H](Nc1ncnc3c1c(Br)nn3C)CC2 ZINC000171131940 644313431 /nfs/dbraw/zinc/31/34/31/644313431.db2.gz GLYZQEGGCKDZGX-SECBINFHSA-N 0 0 391.277 2.268 10 0 GEAERN COC(=O)[C@@H]1C[C@H]1C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000171191046 644315244 /nfs/dbraw/zinc/31/52/44/644315244.db2.gz VPPGEHBJDFJEEP-VXGBXAGGSA-N 0 0 383.242 2.033 10 0 GEAERN Cc1nc(C[C@@H]2CCCN(S(=O)(=O)c3ccc(F)c(F)c3F)C2)no1 ZINC000171430335 644321851 /nfs/dbraw/zinc/32/18/51/644321851.db2.gz WDZBIDPLASERDK-JTQLQIEISA-N 0 0 375.372 2.439 10 0 GEAERN COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]2c2cnn(C)c2)c1 ZINC000171432489 644321940 /nfs/dbraw/zinc/32/19/40/644321940.db2.gz MFKKMEMPOHKTDM-AWEZNQCLSA-N 0 0 383.857 2.386 10 0 GEAERN COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2c2cnn(C)c2)c(Cl)c1 ZINC000171431741 644322029 /nfs/dbraw/zinc/32/20/29/644322029.db2.gz QVPBAPKRWUJCGJ-AWEZNQCLSA-N 0 0 383.857 2.386 10 0 GEAERN O=C(Cc1cccc(F)c1)OCCNC(=O)c1cncc(Br)c1 ZINC000172315649 644338936 /nfs/dbraw/zinc/33/89/36/644338936.db2.gz LMJHMORCNOTEKO-UHFFFAOYSA-N 0 0 381.201 2.499 10 0 GEAERN Cc1nc(SCCC(=O)N2CCCN(Cc3csc(C)n3)CC2)n[nH]1 ZINC000174652293 644378797 /nfs/dbraw/zinc/37/87/97/644378797.db2.gz SKBSQZKFGVVJHC-UHFFFAOYSA-N 0 0 380.543 2.095 10 0 GEAERN O=C(Nc1c(F)cc(Br)cc1F)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000177551054 644417122 /nfs/dbraw/zinc/41/71/22/644417122.db2.gz RICZELUIFYKSGZ-PELKAZGASA-N 0 0 391.212 2.333 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Cl)CC2 ZINC000177640225 644421563 /nfs/dbraw/zinc/42/15/63/644421563.db2.gz UWTRSTBDAWPRSN-SNVBAGLBSA-N 0 0 382.251 2.217 10 0 GEAERN CNC(=O)[C@H](NS(=O)(=O)/C=C/c1cccc(Br)c1)C(C)C ZINC000178930309 644444713 /nfs/dbraw/zinc/44/47/13/644444713.db2.gz GKHRTNYQPZATCJ-SBDDDAINSA-N 0 0 375.288 2.110 10 0 GEAERN CNC(=O)[C@H](NS(=O)(=O)c1cc(C)c(Br)cc1C)C(C)C ZINC000178930876 644444877 /nfs/dbraw/zinc/44/48/77/644444877.db2.gz FJWPBWKKDYKSMU-CYBMUJFWSA-N 0 0 377.304 2.115 10 0 GEAERN C[C@@H](NC(=O)CN1CCCCc2cc(Br)ccc21)C(=O)N(C)C ZINC000179465170 644461773 /nfs/dbraw/zinc/46/17/73/644461773.db2.gz MUWLKSVZGRZLFD-GFCCVEGCSA-N 0 0 382.302 2.185 10 0 GEAERN O=C(Nc1cncc(Br)c1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000179471637 644462835 /nfs/dbraw/zinc/46/28/35/644462835.db2.gz UHZHHYRPMRPKBV-CYBMUJFWSA-N 0 0 376.210 2.423 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cnc(Br)c(C)c1 ZINC000180520916 644505774 /nfs/dbraw/zinc/50/57/74/644505774.db2.gz PZARDPZDNGSKJW-LBPRGKRZSA-N 0 0 390.303 2.295 10 0 GEAERN CC[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(SC(F)(F)F)cc2)CC1 ZINC000182406541 644963110 /nfs/dbraw/zinc/96/31/10/644963110.db2.gz QJSVNOAXXJNSEP-GFCCVEGCSA-N 0 0 398.472 2.376 10 0 GEAERN COc1ccc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)nc1Br ZINC000183153690 644981694 /nfs/dbraw/zinc/98/16/94/644981694.db2.gz RHGOKUYGFGJXIK-LLVKDONJSA-N 0 0 392.257 2.042 10 0 GEAERN COc1ccc(C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)nc1Br ZINC000183252283 644988844 /nfs/dbraw/zinc/98/88/44/644988844.db2.gz OMJCWFAQSAOZFF-SNVBAGLBSA-N 0 0 394.273 2.312 10 0 GEAERN CCS(=O)(=O)c1cc(F)ccc1NC(=O)C(=O)N[C@H](C)c1cccs1 ZINC000184428215 645017813 /nfs/dbraw/zinc/01/78/13/645017813.db2.gz RXXSVPGDJAMHEZ-SNVBAGLBSA-N 0 0 384.454 2.497 10 0 GEAERN Cc1noc([C@@H]2COCCN2CC(=O)Nc2ccccc2Br)n1 ZINC000185084631 645033961 /nfs/dbraw/zinc/03/39/61/645033961.db2.gz QMNYLPDAFMBDES-ZDUSSCGKSA-N 0 0 381.230 2.153 10 0 GEAERN NC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2ccc(Cl)cc2Cl)CCO1 ZINC000185158150 645037605 /nfs/dbraw/zinc/03/76/05/645037605.db2.gz XCLCLRSBPWGJOI-SNPRPXQTSA-N 0 0 387.263 2.174 10 0 GEAERN CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000185154552 645037787 /nfs/dbraw/zinc/03/77/87/645037787.db2.gz FACGGMBNTLJYKJ-GHMZBOCLSA-N 0 0 390.864 2.425 10 0 GEAERN COCC(=O)NC1CN(C(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000185275551 645041922 /nfs/dbraw/zinc/04/19/22/645041922.db2.gz MMXVTOBMWRRMBI-UHFFFAOYSA-N 0 0 395.175 2.055 10 0 GEAERN CCC[C@@H](NS(=O)(=O)c1cnn(CC(F)(F)F)c1)C(=O)OC(C)(C)C ZINC000185876181 645056220 /nfs/dbraw/zinc/05/62/20/645056220.db2.gz IHNHVZVCBXGBRB-LLVKDONJSA-N 0 0 385.408 2.234 10 0 GEAERN O=C(NCCN[C@@H](c1ccc(Br)cc1)c1cncnc1)C1CC1 ZINC000186078847 645059775 /nfs/dbraw/zinc/05/97/75/645059775.db2.gz WZEJTTWSCZRYQX-INIZCTEOSA-N 0 0 375.270 2.444 10 0 GEAERN O=C(CN[C@H](c1ccc(Br)cc1)c1cncnc1)NCC1CC1 ZINC000186387237 645066460 /nfs/dbraw/zinc/06/64/60/645066460.db2.gz WDQDERTTYBRNKW-QGZVFWFLSA-N 0 0 375.270 2.444 10 0 GEAERN C[C@@H](NC(=O)Nc1cccc(Br)n1)c1ccc(S(N)(=O)=O)cc1 ZINC000188583211 645120407 /nfs/dbraw/zinc/12/04/07/645120407.db2.gz MPCWUDWVRYMPDB-SECBINFHSA-N 0 0 399.270 2.374 10 0 GEAERN O=C(c1ncc(Br)s1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000188935540 645129486 /nfs/dbraw/zinc/12/94/86/645129486.db2.gz GLLRLLZHUIXDMF-ZDUSSCGKSA-N 0 0 396.310 2.397 10 0 GEAERN CCc1nn(C)c(Cl)c1CN1CCN(CCI)CC1 ZINC000190867709 645166909 /nfs/dbraw/zinc/16/69/09/645166909.db2.gz VTZWYGIIMINUPK-UHFFFAOYSA-N 0 0 396.704 2.189 10 0 GEAERN CCn1cc([C@H]2CN(C(=O)c3cc(Br)c(C)[nH]c3=O)CCO2)cn1 ZINC000191738890 645180714 /nfs/dbraw/zinc/18/07/14/645180714.db2.gz WWXWKWCAAQWICQ-CQSZACIVSA-N 0 0 395.257 2.288 10 0 GEAERN C[C@H]1C(=O)NCCCN1C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000191756982 645181347 /nfs/dbraw/zinc/18/13/47/645181347.db2.gz RJDJZXZHCORICK-JTQLQIEISA-N 0 0 380.857 2.219 10 0 GEAERN CN(C(=O)c1ncc(Br)s1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000192426362 645204966 /nfs/dbraw/zinc/20/49/66/645204966.db2.gz MIRKTQISWFSUHQ-SNVBAGLBSA-N 0 0 382.287 2.437 10 0 GEAERN C[C@@H]1COC[C@H](C)N1C(=O)COc1cccc(I)c1 ZINC000192592182 645212922 /nfs/dbraw/zinc/21/29/22/645212922.db2.gz VRJTYPGGTUVEOO-PHIMTYICSA-N 0 0 375.206 2.306 10 0 GEAERN O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCC[C@H](Cn2cncn2)C1 ZINC000194336742 645322806 /nfs/dbraw/zinc/32/28/06/645322806.db2.gz IMXFCKGQIPDHSC-BLLLJJGKSA-N 0 0 391.269 2.283 10 0 GEAERN O=C(N[C@H]1COc2ccccc21)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000194642569 645339627 /nfs/dbraw/zinc/33/96/27/645339627.db2.gz PQIKZKGJFQUQLR-KBPBESRZSA-N 0 0 378.475 2.151 10 0 GEAERN CC1(C)CCN(C[C@@H](O)COCc2ccc(Cl)cc2)CCS1(=O)=O ZINC000194958680 645350640 /nfs/dbraw/zinc/35/06/40/645350640.db2.gz DNCBVROVLWZGPN-MRXNPFEDSA-N 0 0 375.918 2.117 10 0 GEAERN Cc1nn(CN2CCCC[C@H]2c2nccs2)c(=S)n1CC(=O)N(C)C ZINC000195300926 645371095 /nfs/dbraw/zinc/37/10/95/645371095.db2.gz BUZIKHVOMQSJDX-ZDUSSCGKSA-N 0 0 380.543 2.452 10 0 GEAERN COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Br)c(C)c2)C[C@@H]1C ZINC000227812561 645393671 /nfs/dbraw/zinc/39/36/71/645393671.db2.gz MIHYIRXCUPNHHV-JQWIXIFHSA-N 0 0 376.272 2.187 10 0 GEAERN C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N[C@H]1CCCC[C@H]1O ZINC000245675151 645466114 /nfs/dbraw/zinc/46/61/14/645466114.db2.gz GNYXVYXABBKOOA-LPEHRKFASA-N 0 0 375.288 2.049 10 0 GEAERN COCCO[C@H]1CCC[N@H+](C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000245808860 645469706 /nfs/dbraw/zinc/46/97/06/645469706.db2.gz BWQRQDSNBTUPML-WBVHZDCISA-N 0 0 388.302 2.316 10 0 GEAERN Cc1cc(C(=O)CN2CCS(=O)(=O)[C@H](C)[C@H]2C)c(C)n1-c1nccs1 ZINC000246371705 645481223 /nfs/dbraw/zinc/48/12/23/645481223.db2.gz QUDPVKZVYQPGJC-TZMCWYRMSA-N 0 0 381.523 2.241 10 0 GEAERN C[C@H](Oc1ccccc1Br)C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246942078 645498645 /nfs/dbraw/zinc/49/86/45/645498645.db2.gz KAGSRDSJHTUGCK-YCPHGPKFSA-N 0 0 397.313 2.396 10 0 GEAERN C[C@H](Oc1ccccc1Br)C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000246942057 645498806 /nfs/dbraw/zinc/49/88/06/645498806.db2.gz KAGSRDSJHTUGCK-OFQRWUPVSA-N 0 0 397.313 2.396 10 0 GEAERN Cc1c(Cl)cc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)cc1Cl ZINC000247111468 645504545 /nfs/dbraw/zinc/50/45/45/645504545.db2.gz RCEAFYMDWCISGY-MNOVXSKESA-N 0 0 388.295 2.154 10 0 GEAERN C[C@H](Oc1cccc(Br)c1)C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000247153739 645506396 /nfs/dbraw/zinc/50/63/96/645506396.db2.gz QBDJUGZMIDZFAU-GRDNDAEWSA-N 0 0 397.313 2.396 10 0 GEAERN CCn1cc([C@@H]2CN([C@@H](C(N)=O)c3ccc(Br)cc3)CCO2)cn1 ZINC000248720940 645534863 /nfs/dbraw/zinc/53/48/63/645534863.db2.gz LVOSUWGRMZVFNV-JKSUJKDBSA-N 0 0 393.285 2.265 10 0 GEAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)Cc2cc(Cl)ccc2F)CC1 ZINC000262479776 645631730 /nfs/dbraw/zinc/63/17/30/645631730.db2.gz DEEPVZNMODNKAO-AWEZNQCLSA-N 0 0 392.880 2.180 10 0 GEAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000262498325 645633542 /nfs/dbraw/zinc/63/35/42/645633542.db2.gz HNRLYWHHAQYBJP-CYBMUJFWSA-N 0 0 378.853 2.039 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)COc2c(Cl)cccc2Cl)C1 ZINC000262728788 645642232 /nfs/dbraw/zinc/64/22/32/645642232.db2.gz UBFROGGRZNYMAR-UHFFFAOYSA-N 0 0 375.252 2.426 10 0 GEAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)Cc2ccccc2Br)C1 ZINC000262734342 645643202 /nfs/dbraw/zinc/64/32/02/645643202.db2.gz VGPFDXZPRSKRRO-UHFFFAOYSA-N 0 0 395.297 2.435 10 0 GEAERN C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1ccc(I)c(Cl)c1 ZINC000281736133 646793814 /nfs/dbraw/zinc/79/38/14/646793814.db2.gz HGHVBRKLVMEILY-HQJQHLMTSA-N 0 0 392.624 2.342 10 0 GEAERN Cn1cc([C@@H]2CN(S(=O)(=O)/C=C/c3ccccc3Cl)C[C@H]2CO)cn1 ZINC000328627796 647311308 /nfs/dbraw/zinc/31/13/08/647311308.db2.gz NCZWWKAVRWBQQJ-MIVXPEEVSA-N 0 0 381.885 2.082 10 0 GEAERN CN1C[C@@H](CNC(=O)c2ccc(Br)cc2Br)CC1=O ZINC000619002574 652041760 /nfs/dbraw/zinc/04/17/60/652041760.db2.gz WZGLEPIPDGQMKG-MRVPVSSYSA-N 0 0 390.075 2.420 10 0 GEAERN COc1ccc(CCC(=O)N2CC[C@H](n3ccnn3)C2)cc1Br ZINC000585321653 652533161 /nfs/dbraw/zinc/53/31/61/652533161.db2.gz ZTZKTFMGOLPPAR-ZDUSSCGKSA-N 0 0 379.258 2.455 10 0 GEAERN Cc1nccn1[C@@H]1CCCN(C(=O)c2cc3ncc(Br)cn3n2)C1 ZINC000900597299 654072105 /nfs/dbraw/zinc/07/21/05/654072105.db2.gz IVSNHPPYVZGIMT-CYBMUJFWSA-N 0 0 389.257 2.474 10 0 GEAERN C[C@@H](O)CN1CCN(C(=O)Nc2c(Cl)n(C)nc2C(F)(F)F)C[C@@H]1C ZINC000889196303 654128897 /nfs/dbraw/zinc/12/88/97/654128897.db2.gz LJYDZIWYSTWBHI-DTWKUNHWSA-N 0 0 383.802 2.011 10 0 GEAERN C[C@@H]1OCC[C@@H]1NC(=O)c1cnn(C(C)(C)C)c1I ZINC000889778010 654172499 /nfs/dbraw/zinc/17/24/99/654172499.db2.gz OPFGHRUTFOTXGV-WPRPVWTQSA-N 0 0 377.226 2.150 10 0 GEAERN O=C(c1ccc(NCc2ccccn2)nc1)N1CCCN(c2ncccn2)CC1 ZINC000019300663 210239238 /nfs/dbraw/zinc/23/92/38/210239238.db2.gz DSELYJSPCFIYCM-UHFFFAOYSA-N 0 0 389.463 2.231 10 0 GEAERN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCC[C@@H](C(=O)NC3CCCCC3)C2)C1 ZINC000015905819 210179626 /nfs/dbraw/zinc/17/96/26/210179626.db2.gz WFQZAUSAZAKPQI-IXDOHACOSA-N 0 0 385.574 2.370 10 0 GEAERN Nc1ncc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)cn1 ZINC000015076506 210151266 /nfs/dbraw/zinc/15/12/66/210151266.db2.gz YMVUIGVJLYJKSU-UHFFFAOYSA-N 0 0 381.480 2.338 10 0 GEAERN Cc1nc(CC(=O)N2CCC[C@H](CNS(=O)(=O)c3cccs3)C2)cs1 ZINC000015066632 210147255 /nfs/dbraw/zinc/14/72/55/210147255.db2.gz DHJCTGXWJSGTCP-CYBMUJFWSA-N 0 0 399.563 2.273 10 0 GEAERN COCCNc1nc(CN2CCN(C(C)=O)CC2)nc2ccc(Cl)cc21 ZINC000014879343 210129905 /nfs/dbraw/zinc/12/99/05/210129905.db2.gz OARUBKKYCUDXFC-UHFFFAOYSA-N 0 0 377.876 2.006 10 0 GEAERN CSCC(=O)N1CC(=O)N(Cc2ccccc2)C[C@@H](OCc2ccccn2)C1 ZINC000014531886 210119558 /nfs/dbraw/zinc/11/95/58/210119558.db2.gz VXQKBTUPHXUSEO-LJQANCHMSA-N 0 0 399.516 2.201 10 0 GEAERN COc1ccc(NC(=O)c2cccc3c2O[C@@H](C)[C@H]3C)cc1S(N)(=O)=O ZINC000012741531 209999660 /nfs/dbraw/zinc/99/96/60/209999660.db2.gz ZPNMLPMVLITALY-MNOVXSKESA-N 0 0 376.434 2.479 10 0 GEAERN C[C@@H](NC(=O)CCNC(=O)c1cccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000016109449 531569929 /nfs/dbraw/zinc/56/99/29/531569929.db2.gz NVWLTCCKOSDEOP-GFCCVEGCSA-N 0 0 380.491 2.149 10 0 GEAERN CC(C)[C@@H](C)NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 ZINC000017054559 531572548 /nfs/dbraw/zinc/57/25/48/531572548.db2.gz WRQDPWBBQRBFFG-LLVKDONJSA-N 0 0 377.304 2.278 10 0 GEAERN COc1ccc(Br)c(C(=O)NCCCNC(=O)[C@H]2CC[C@H](C)O2)c1 ZINC000153825280 531609223 /nfs/dbraw/zinc/60/92/23/531609223.db2.gz CLNMKGUIQZIMRX-XHDPSFHLSA-N 0 0 399.285 2.261 10 0 GEAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000155174231 531662726 /nfs/dbraw/zinc/66/27/26/531662726.db2.gz UDKLESHQXCXFPL-NSHDSACASA-N 0 0 399.285 2.368 10 0 GEAERN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000155650552 531694242 /nfs/dbraw/zinc/69/42/42/531694242.db2.gz IERIVSIMFFJJAS-BZPMIXESSA-N 0 0 378.416 2.377 10 0 GEAERN COc1cc(CCNC(=O)Nc2cc(Br)c(=O)n(C)c2)ccc1O ZINC000156304062 531727349 /nfs/dbraw/zinc/72/73/49/531727349.db2.gz PAJXHDSEYSKZGK-UHFFFAOYSA-N 0 0 396.241 2.226 10 0 GEAERN C[C@@H](Cc1ccc(Br)cc1)NC(=O)NC[C@H](C)N1CCOCC1 ZINC000049130821 531733456 /nfs/dbraw/zinc/73/34/56/531733456.db2.gz ALDAZBLRZAUBFQ-KBPBESRZSA-N 0 0 384.318 2.400 10 0 GEAERN Cc1nnc([C@H]2CN(c3ccnc4cc(Br)cnc43)CCO2)[nH]1 ZINC000157901450 531757462 /nfs/dbraw/zinc/75/74/62/531757462.db2.gz UUDJLLUYPMNGIR-CYBMUJFWSA-N 0 0 375.230 2.397 10 0 GEAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2ccncc2Br)ncn1 ZINC000158012122 531762159 /nfs/dbraw/zinc/76/21/59/531762159.db2.gz RHQGBFYCSPNNEY-NSHDSACASA-N 0 0 391.273 2.075 10 0 GEAERN C[C@@H](NC(=O)c1cncc(I)c1)c1nnc2n1CCCC2 ZINC000158093334 531764761 /nfs/dbraw/zinc/76/47/61/531764761.db2.gz WEBLSDUZVIUYRZ-SECBINFHSA-N 0 0 397.220 2.105 10 0 GEAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1sccc1Br ZINC000060454076 531843787 /nfs/dbraw/zinc/84/37/87/531843787.db2.gz DJFRXLNDNKWNLU-LBPRGKRZSA-N 0 0 382.283 2.406 10 0 GEAERN Cc1cnn(C[C@@H]2CN(C(=O)[C@@H](O)c3cc(Cl)cc(Cl)c3)CCO2)c1 ZINC000164021133 531867590 /nfs/dbraw/zinc/86/75/90/531867590.db2.gz WPTDSJKYQMOIKB-HOTGVXAUSA-N 0 0 384.263 2.459 10 0 GEAERN Cc1csc2nc(CN[C@H](C)c3ccc(S(C)(=O)=O)cc3)cc(=O)n12 ZINC000163260599 531855654 /nfs/dbraw/zinc/85/56/54/531855654.db2.gz CDULVLZFCCSXDO-GFCCVEGCSA-N 0 0 377.491 2.319 10 0 GEAERN COC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(Br)cc1C ZINC000163571667 531860460 /nfs/dbraw/zinc/86/04/60/531860460.db2.gz UXDYIZXRSFKYFP-ZDUSSCGKSA-N 0 0 383.242 2.250 10 0 GEAERN COC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1cc(C)ccc1Br ZINC000163586244 531861053 /nfs/dbraw/zinc/86/10/53/531861053.db2.gz FCLPADPENPKAQB-ZDUSSCGKSA-N 0 0 383.242 2.250 10 0 GEAERN NC(=O)[C@@H]1Cc2ccccc2N1C[C@@H](O)COc1cccc(Br)c1 ZINC000170644108 531884198 /nfs/dbraw/zinc/88/41/98/531884198.db2.gz SLGOUKOTZNKDMM-PBHICJAKSA-N 0 0 391.265 2.105 10 0 GEAERN COC(=O)[C@H]1C[C@@H]1C(=O)NCCC(=O)Nc1cc(Br)ccc1C ZINC000170773616 531891526 /nfs/dbraw/zinc/89/15/26/531891526.db2.gz NCQDUJHDCHKIPH-RYUDHWBXSA-N 0 0 383.242 2.011 10 0 GEAERN O=C(N[C@H]1CCc2ncnn2C1)NC1(c2ccc(Br)cc2)CC1 ZINC000171869856 531922708 /nfs/dbraw/zinc/92/27/08/531922708.db2.gz CBBDFXKDSWMIMT-ZDUSSCGKSA-N 0 0 376.258 2.344 10 0 GEAERN CCOc1ccnc(N2CCN(Cc3ccc(Br)cn3)CC2)n1 ZINC000171960691 531925677 /nfs/dbraw/zinc/92/56/77/531925677.db2.gz ARQUUOXQSAAJAO-UHFFFAOYSA-N 0 0 378.274 2.355 10 0 GEAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)NCCSC(F)(F)F)CC1 ZINC000172065007 531932593 /nfs/dbraw/zinc/93/25/93/531932593.db2.gz LHQIIBLAYYSFHU-UHFFFAOYSA-N 0 0 379.452 2.117 10 0 GEAERN CC(=O)NC[C@H]1CN(C(=O)N[C@@H](C)c2ccccc2Br)CCO1 ZINC000172267930 531942415 /nfs/dbraw/zinc/94/24/15/531942415.db2.gz OJVSPAQNLKKOJX-AAEUAGOBSA-N 0 0 384.274 2.057 10 0 GEAERN Cc1cnn(C[C@@H]2CN(C(=O)c3cc(Br)ccc3O)CCO2)c1 ZINC000112117850 531944556 /nfs/dbraw/zinc/94/45/56/531944556.db2.gz QRELBPYVZFLFGG-ZDUSSCGKSA-N 0 0 380.242 2.201 10 0 GEAERN O=C(N[C@@H]1CCc2ncnn2C1)c1[nH]nc(-c2ccccc2)c1Br ZINC000112650179 531949192 /nfs/dbraw/zinc/94/91/92/531949192.db2.gz MDPCKKWDNGBXCS-LLVKDONJSA-N 0 0 387.241 2.176 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1[nH]nc(C(C)C)c1Br)CC2 ZINC000114870850 531957371 /nfs/dbraw/zinc/95/73/71/531957371.db2.gz JWSIIXSVRGCGDP-VIFPVBQESA-N 0 0 381.278 2.194 10 0 GEAERN C[C@@](O)(CNC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21)c1cccs1 ZINC000172470700 531954315 /nfs/dbraw/zinc/95/43/15/531954315.db2.gz LIXQKMRSRAEDGZ-SUMWQHHRSA-N 0 0 380.491 2.174 10 0 GEAERN C[C@@H](COCc1ccccc1)NC(=O)Cn1cc(Br)ccc1=O ZINC000172963851 531976011 /nfs/dbraw/zinc/97/60/11/531976011.db2.gz KBTXSNMQLQOXRI-ZDUSSCGKSA-N 0 0 379.254 2.332 10 0 GEAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)c(Br)c2)C1 ZINC000173103724 531988610 /nfs/dbraw/zinc/98/86/10/531988610.db2.gz NPKWYUPLNMDJRC-LLVKDONJSA-N 0 0 376.272 2.331 10 0 GEAERN Cc1csc([C@@H]2CCCN(C(=O)c3ccc(C)c(S(N)(=O)=O)c3)C2)n1 ZINC000173375872 532007104 /nfs/dbraw/zinc/00/71/04/532007104.db2.gz IKDUIOGVVWNQMZ-CQSZACIVSA-N 0 0 379.507 2.427 10 0 GEAERN CC(C)Oc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@@H]1CO ZINC000121225915 532018815 /nfs/dbraw/zinc/01/88/15/532018815.db2.gz VUOUAWXHIVWPNO-GFCCVEGCSA-N 0 0 385.258 2.158 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H](OC)c1cccc(Cl)c1 ZINC000173545702 532018246 /nfs/dbraw/zinc/01/82/46/532018246.db2.gz ZZKIGHVVUBYOFM-CVEARBPZSA-N 0 0 388.917 2.348 10 0 GEAERN Cc1csc([C@@H]2CCCN(C(=O)c3cccc(CS(N)(=O)=O)c3)C2)n1 ZINC000173586378 532021159 /nfs/dbraw/zinc/02/11/59/532021159.db2.gz GVPHSJAEVZQYHY-OAHLLOKOSA-N 0 0 379.507 2.260 10 0 GEAERN CCc1cnc(CCNC(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)s1 ZINC000173591717 532022428 /nfs/dbraw/zinc/02/24/28/532022428.db2.gz LYXDQLFHYTZHIX-CQSZACIVSA-N 0 0 379.507 2.466 10 0 GEAERN CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3nc(C)cs3)C2)cc1 ZINC000173591234 532022647 /nfs/dbraw/zinc/02/26/47/532022647.db2.gz NNUVIJFAQFHCTH-CQSZACIVSA-N 0 0 379.507 2.379 10 0 GEAERN C[C@@H](N[C@@H](C(N)=O)c1ccc(Br)cc1)c1nnc2n1CCCC2 ZINC000173625707 532023099 /nfs/dbraw/zinc/02/30/99/532023099.db2.gz AVGHAMVIIMNQAG-QMTHXVAHSA-N 0 0 378.274 2.254 10 0 GEAERN COc1cc(Cl)c(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)cc1Cl ZINC000173645663 532024723 /nfs/dbraw/zinc/02/47/23/532024723.db2.gz JDWSKQLFQSGJMJ-LLVKDONJSA-N 0 0 395.308 2.097 10 0 GEAERN COc1cc(Cl)c(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)cc1Cl ZINC000173645644 532025019 /nfs/dbraw/zinc/02/50/19/532025019.db2.gz JDWSKQLFQSGJMJ-NSHDSACASA-N 0 0 395.308 2.097 10 0 GEAERN COc1ccc(Br)cc1CNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173797389 532033679 /nfs/dbraw/zinc/03/36/79/532033679.db2.gz AZXOGWDGLZSMRN-OAHLLOKOSA-N 0 0 398.301 2.074 10 0 GEAERN C[C@@H]1CN(C(=O)Cc2ccc(F)c(Br)c2)C[C@@H]1N1CCOCC1 ZINC000173813204 532035469 /nfs/dbraw/zinc/03/54/69/532035469.db2.gz HHUUECFHQCBZOG-WBMJQRKESA-N 0 0 385.277 2.310 10 0 GEAERN O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCC[C@H](n2cncn2)C1 ZINC000173983912 532043561 /nfs/dbraw/zinc/04/35/61/532043561.db2.gz UREDEBUHLOZVGD-NSHDSACASA-N 0 0 378.351 2.462 10 0 GEAERN C[C@H](NC(=O)c1csc(S(N)(=O)=O)c1)c1cccc(-n2ccnc2)c1 ZINC000173939896 532044192 /nfs/dbraw/zinc/04/41/92/532044192.db2.gz OXVVWNDLGDJIQY-NSHDSACASA-N 0 0 376.463 2.072 10 0 GEAERN C[C@H](COCc1ccccc1)NC(=O)CNC(=O)c1ccc(Br)o1 ZINC000174587414 532070722 /nfs/dbraw/zinc/07/07/22/532070722.db2.gz KKOHIVNTTZPIPW-GFCCVEGCSA-N 0 0 395.253 2.493 10 0 GEAERN CCN(C(=O)N[C@H](Cc1ccccc1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000122553713 532073733 /nfs/dbraw/zinc/07/37/33/532073733.db2.gz FWYAAEACSZOGOK-ZIAGYGMSSA-N 0 0 378.416 2.379 10 0 GEAERN NS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)cs1 ZINC000174874723 532083191 /nfs/dbraw/zinc/08/31/91/532083191.db2.gz MQJCLXJSRAIDTA-CABCVRRESA-N 0 0 380.491 2.124 10 0 GEAERN C[C@H](NC(=O)C(=O)Nc1cccc(C(N)=O)c1)c1cccc(Br)c1 ZINC000123630901 532104352 /nfs/dbraw/zinc/10/43/52/532104352.db2.gz AXIYXNZPTXLRHA-JTQLQIEISA-N 0 0 390.237 2.364 10 0 GEAERN CCn1cc(C2CCN(C(=O)Cn3cc(Br)ccc3=O)CC2)cn1 ZINC000123649988 532104796 /nfs/dbraw/zinc/10/47/96/532104796.db2.gz ZLNVODNPGHFYCY-UHFFFAOYSA-N 0 0 393.285 2.233 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cc(Br)ccc1F ZINC000176017757 532122744 /nfs/dbraw/zinc/12/27/44/532122744.db2.gz HUCOXBDWHSPQAJ-NSHDSACASA-N 0 0 396.220 2.078 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccc(F)cc1Br ZINC000176018249 532122917 /nfs/dbraw/zinc/12/29/17/532122917.db2.gz VVWHSTRXAMQJKT-LBPRGKRZSA-N 0 0 396.220 2.078 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccc(Br)cc1F ZINC000176014058 532122976 /nfs/dbraw/zinc/12/29/76/532122976.db2.gz WRTXXKIROCBAII-LBPRGKRZSA-N 0 0 396.220 2.078 10 0 GEAERN C[C@H]1CN(C(=O)NCc2ccccc2Br)C[C@H]1N1CCOCC1 ZINC000175728316 532112985 /nfs/dbraw/zinc/11/29/85/532112985.db2.gz VPGQGSCHHLDPSE-XJKSGUPXSA-N 0 0 382.302 2.311 10 0 GEAERN COC(=O)[C@@H]1CCCCN1C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000175777499 532113802 /nfs/dbraw/zinc/11/38/02/532113802.db2.gz FOJODTUZLMKSDJ-ZDUSSCGKSA-N 0 0 393.237 2.458 10 0 GEAERN Cc1cc(I)cnc1NC(=O)[C@H](C)NC(=O)c1ccco1 ZINC000175764016 532114314 /nfs/dbraw/zinc/11/43/14/532114314.db2.gz VUKIFKVIKAEEFR-VIFPVBQESA-N 0 0 399.188 2.345 10 0 GEAERN C[C@@H]1CN(C(=O)NCCc2ccc(Br)cc2)C[C@H]1N1CCOCC1 ZINC000175792199 532115180 /nfs/dbraw/zinc/11/51/80/532115180.db2.gz KPMYWCFJFLKMFB-RHSMWYFYSA-N 0 0 396.329 2.354 10 0 GEAERN CCS(=O)(=O)NCCNC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000176467288 532139024 /nfs/dbraw/zinc/13/90/24/532139024.db2.gz KYVOJZCANUXXPZ-CYBMUJFWSA-N 0 0 388.559 2.095 10 0 GEAERN C[C@H]1CN([C@@H](CNC(=O)c2ccc(C(N)=O)s2)c2cccs2)CCO1 ZINC000176594640 532142940 /nfs/dbraw/zinc/14/29/40/532142940.db2.gz UQKJXISPCOFSSO-RYUDHWBXSA-N 0 0 379.507 2.100 10 0 GEAERN COc1ccc(Br)c(NC(=O)C(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000177396320 532170878 /nfs/dbraw/zinc/17/08/78/532170878.db2.gz MVUQEBSRHNEBJZ-GFCCVEGCSA-N 0 0 396.285 2.093 10 0 GEAERN CNS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)o1 ZINC000128743914 532167804 /nfs/dbraw/zinc/16/78/04/532167804.db2.gz HQPPKMXVNQVBLE-GFCCVEGCSA-N 0 0 376.356 2.091 10 0 GEAERN COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000176950813 532156983 /nfs/dbraw/zinc/15/69/83/532156983.db2.gz BHSVSJADAXGHLS-JQWIXIFHSA-N 0 0 385.258 2.388 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(C)cc1Br ZINC000177006966 532158744 /nfs/dbraw/zinc/15/87/44/532158744.db2.gz SGGJCCRWGWKWHA-LBPRGKRZSA-N 0 0 385.287 2.471 10 0 GEAERN Cc1nc(CN2CCCN(C(=O)c3cc(S(C)(=O)=O)cs3)CC2)cs1 ZINC000129492838 532179614 /nfs/dbraw/zinc/17/96/14/532179614.db2.gz RPPIPGSLGBXIGM-UHFFFAOYSA-N 0 0 399.563 2.265 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000177705142 532179773 /nfs/dbraw/zinc/17/97/73/532179773.db2.gz YITDOFBCXACHDW-AWEZNQCLSA-N 0 0 382.873 2.055 10 0 GEAERN C[C@H](CNC(=O)N1CCc2cc(Br)cc(F)c21)N1CCOCC1 ZINC000177846246 532185398 /nfs/dbraw/zinc/18/53/98/532185398.db2.gz XGKHGYMMSFASOA-LLVKDONJSA-N 0 0 386.265 2.381 10 0 GEAERN O=C(Nc1cccc(Br)c1)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000177523069 532174522 /nfs/dbraw/zinc/17/45/22/532174522.db2.gz OTUTTXWHEADFGZ-GFCCVEGCSA-N 0 0 396.266 2.444 10 0 GEAERN O=C(N[C@H]1CCCn2ncnc21)c1ccn(-c2cccc(Br)c2)n1 ZINC000177617605 532177513 /nfs/dbraw/zinc/17/75/13/532177513.db2.gz NMLHSHDQDMXZTM-ZDUSSCGKSA-N 0 0 387.241 2.491 10 0 GEAERN CC(C)n1nnnc1C[S@@](=O)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000131372385 532196919 /nfs/dbraw/zinc/19/69/19/532196919.db2.gz NBSVYYOFGYSVTJ-VDBVYFBLSA-N 0 0 383.905 2.376 10 0 GEAERN Cc1nccn1C[C@H]1CCCN1C(=O)Nc1cc(Br)cn(C)c1=O ZINC000177972297 532188636 /nfs/dbraw/zinc/18/86/36/532188636.db2.gz ZFUUXGKAIIUAPH-CYBMUJFWSA-N 0 0 394.273 2.349 10 0 GEAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000131894699 532205236 /nfs/dbraw/zinc/20/52/36/532205236.db2.gz ILYCHGBYULFDRW-GWCFXTLKSA-N 0 0 377.242 2.157 10 0 GEAERN CC(=O)N[C@H]1CCCN(C(=O)c2ccc(F)c(I)c2)C1 ZINC000132643172 532218971 /nfs/dbraw/zinc/21/89/71/532218971.db2.gz KRLVAKREMSLFIX-NSHDSACASA-N 0 0 390.196 2.171 10 0 GEAERN CNC(=O)[C@H](NC(=O)c1ccc(I)cc1Cl)C(C)C ZINC000178690938 532210214 /nfs/dbraw/zinc/21/02/14/532210214.db2.gz ZHVRDERORPXJNC-LLVKDONJSA-N 0 0 394.640 2.445 10 0 GEAERN CNC(=O)[C@H](NC(=O)[C@H](C)Oc1ccc(F)cc1Br)C(C)C ZINC000178713489 532210945 /nfs/dbraw/zinc/21/09/45/532210945.db2.gz UKLQBKXUQVPQGQ-TVQRCGJNSA-N 0 0 375.238 2.242 10 0 GEAERN CNC(=O)[C@H](Nc1ncnc2ccc(I)cc21)C(C)C ZINC000178842875 532215108 /nfs/dbraw/zinc/21/51/08/532215108.db2.gz IURZZGMTLGZHGN-GFCCVEGCSA-N 0 0 384.221 2.417 10 0 GEAERN Cc1cc(Br)ccc1S(=O)(=O)N1CCC[C@H](n2cncn2)C1 ZINC000133328948 532232201 /nfs/dbraw/zinc/23/22/01/532232201.db2.gz KLSSQPXEFVMFMR-ZDUSSCGKSA-N 0 0 385.287 2.375 10 0 GEAERN C[C@H](NS(=O)(=O)c1ccc(OCc2ncnn2C)cc1)c1cccs1 ZINC000179023961 532220752 /nfs/dbraw/zinc/22/07/52/532220752.db2.gz GAGFAENXPBNAGT-LBPRGKRZSA-N 0 0 378.479 2.495 10 0 GEAERN CC[C@@H](O)CN1CCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000179818512 532245305 /nfs/dbraw/zinc/24/53/05/532245305.db2.gz AYIWPYPDOYIIGN-CVEARBPZSA-N 0 0 375.296 2.332 10 0 GEAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(Br)cc1O ZINC000179820247 532246330 /nfs/dbraw/zinc/24/63/30/532246330.db2.gz NKJIVFQSZJARLJ-NSHDSACASA-N 0 0 381.230 2.158 10 0 GEAERN Cc1cnn([C@@H]2CCCN(C(=O)C(=O)Nc3cccnc3Br)C2)c1 ZINC000179845226 532247163 /nfs/dbraw/zinc/24/71/63/532247163.db2.gz XWXMWQFGAQPMCP-GFCCVEGCSA-N 0 0 392.257 2.151 10 0 GEAERN Cc1ccc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c(Br)n1 ZINC000179892682 532249273 /nfs/dbraw/zinc/24/92/73/532249273.db2.gz GFDJAAXKRDIQOG-SJKOYZFVSA-N 0 0 396.285 2.245 10 0 GEAERN C[C@@H](NS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1)[C@@H]1CCCO1 ZINC000179907879 532249600 /nfs/dbraw/zinc/24/96/00/532249600.db2.gz IHFGTYCMKHOLAJ-OCCSQVGLSA-N 0 0 388.555 2.299 10 0 GEAERN Cc1cc(Br)ccc1S(=O)(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000133495613 532236320 /nfs/dbraw/zinc/23/63/20/532236320.db2.gz PQXDGGYOCRPZNR-CYBMUJFWSA-N 0 0 399.314 2.450 10 0 GEAERN Cc1ccc(NC(=O)C(=O)N[C@H]2COc3ccccc32)c(Br)n1 ZINC000179616593 532238360 /nfs/dbraw/zinc/23/83/60/532238360.db2.gz GSYUABWAYNPELV-LBPRGKRZSA-N 0 0 376.210 2.341 10 0 GEAERN Cc1sc(NC(=O)CS(=O)(=O)Cc2nnc(C3CC3)n2C)c(C)c1C ZINC000180072592 532256393 /nfs/dbraw/zinc/25/63/93/532256393.db2.gz VHYPVTSBPRMVHQ-UHFFFAOYSA-N 0 0 382.511 2.233 10 0 GEAERN CCc1nnc(CS(=O)(=O)[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)n1C ZINC000180087931 532256701 /nfs/dbraw/zinc/25/67/01/532256701.db2.gz UCJCCCTWVHPOEE-NSHDSACASA-N 0 0 384.889 2.281 10 0 GEAERN COc1cc(Br)c(CN2CCO[C@@H](c3nnc(C)[nH]3)C2)c(OC)c1 ZINC000180107455 532258224 /nfs/dbraw/zinc/25/82/24/532258224.db2.gz WCXGPAAOZVEEFD-OAHLLOKOSA-N 0 0 397.273 2.466 10 0 GEAERN C[C@H](NC(=O)N(C)Cc1ncc(Cl)n1C)c1ccc(S(C)(=O)=O)cc1 ZINC000180299425 532266009 /nfs/dbraw/zinc/26/60/09/532266009.db2.gz PNRKQACWIWOBAB-NSHDSACASA-N 0 0 384.889 2.380 10 0 GEAERN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)C[C@H](O)C(F)(F)F ZINC000180812073 532281707 /nfs/dbraw/zinc/28/17/07/532281707.db2.gz UTHHSXXRNYCXGK-STQMWFEESA-N 0 0 380.794 2.476 10 0 GEAERN CN(c1cccnn1)C1CCN(C(=O)c2cccc(Br)n2)CC1 ZINC000137109755 532288769 /nfs/dbraw/zinc/28/87/69/532288769.db2.gz PKTPGVCAUWOZGA-UHFFFAOYSA-N 0 0 376.258 2.375 10 0 GEAERN CCS(=O)(=O)c1ccc(Br)c(C(=O)N2[C@@H](C)COC[C@@H]2C)c1 ZINC000181159733 532292631 /nfs/dbraw/zinc/29/26/31/532292631.db2.gz PJIFAEWOVYTLRS-QWRGUYRKSA-N 0 0 390.299 2.492 10 0 GEAERN Cc1nnc([C@H]2CN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CCO2)[nH]1 ZINC000181672347 532304816 /nfs/dbraw/zinc/30/48/16/532304816.db2.gz XRJXWRLZQDMCND-CYBMUJFWSA-N 0 0 391.280 2.323 10 0 GEAERN O=C(CCNC(=O)c1ccc(Br)cc1)N[C@H]1CCCC[C@@H]1CO ZINC000150995157 532305828 /nfs/dbraw/zinc/30/58/28/532305828.db2.gz ZHVOLKQKTOLLQL-HIFRSBDPSA-N 0 0 383.286 2.236 10 0 GEAERN CC[C@@H](O)CN1CCN(C(=O)NCc2ccc(Br)cc2C)CC1 ZINC000181740852 532306050 /nfs/dbraw/zinc/30/60/50/532306050.db2.gz LGWRJTYEIAPRCW-MRXNPFEDSA-N 0 0 384.318 2.356 10 0 GEAERN Cc1cc(Br)ccc1CC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000181781766 532306515 /nfs/dbraw/zinc/30/65/15/532306515.db2.gz DFADFGAYPSEWMU-MRXNPFEDSA-N 0 0 378.270 2.424 10 0 GEAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1c(Cl)cccc1C(F)(F)F ZINC000151189974 532307748 /nfs/dbraw/zinc/30/77/48/532307748.db2.gz KSJKVNFXYACNJE-MRVPVSSYSA-N 0 0 380.779 2.244 10 0 GEAERN Cc1c(Cl)cccc1NC(=O)CS(=O)(=O)Cc1nnc(C(C)C)n1C ZINC000182395118 532312752 /nfs/dbraw/zinc/31/27/52/532312752.db2.gz YVSOYOMGKUJFOM-UHFFFAOYSA-N 0 0 384.889 2.454 10 0 GEAERN CCc1nnc([C@H]2CN(C(=O)Nc3cnc(Br)c(C)c3)CCO2)[nH]1 ZINC000182419960 532312764 /nfs/dbraw/zinc/31/27/64/532312764.db2.gz AKMQKBFUSFMBFL-LLVKDONJSA-N 0 0 395.261 2.438 10 0 GEAERN Cc1cc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cnc1Br ZINC000182839396 532318712 /nfs/dbraw/zinc/31/87/12/532318712.db2.gz NTPAENJPYOSQNJ-SJCJKPOMSA-N 0 0 396.285 2.245 10 0 GEAERN O=C(NCCCF)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000183306050 532323021 /nfs/dbraw/zinc/32/30/21/532323021.db2.gz SUJAGIZFTPFXOL-HNNXBMFYSA-N 0 0 382.482 2.340 10 0 GEAERN CSc1ccc(S(=O)(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1Cl ZINC000185778984 532338678 /nfs/dbraw/zinc/33/86/78/532338678.db2.gz ONGQNUCKZSFWPO-NWDGAFQWSA-N 0 0 378.947 2.138 10 0 GEAERN CCS(=O)(=O)CCN[C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186167599 532339961 /nfs/dbraw/zinc/33/99/61/532339961.db2.gz FCHBQTBMWIGASK-HNNXBMFYSA-N 0 0 384.299 2.353 10 0 GEAERN CN(C)C[C@H](NS(=O)(=O)c1cnn(CC(F)(F)F)c1)c1ccccc1 ZINC000186148922 532340024 /nfs/dbraw/zinc/34/00/24/532340024.db2.gz VKEBNZSGTDEOKJ-AWEZNQCLSA-N 0 0 376.404 2.027 10 0 GEAERN COCC(=O)NC1CN(C(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)C1 ZINC000186312789 532340624 /nfs/dbraw/zinc/34/06/24/532340624.db2.gz YBKRGBKWUQOFRX-MLPAPPSSSA-N 0 0 376.762 2.259 10 0 GEAERN Cc1noc([C@H]2COCCN2S(=O)(=O)Cc2cc(Cl)ccc2F)n1 ZINC000186348468 532340673 /nfs/dbraw/zinc/34/06/73/532340673.db2.gz ZELKLZCLUVHQMC-CYBMUJFWSA-N 0 0 375.809 2.074 10 0 GEAERN O=C(NC1CN(C(=O)NCCc2cc(Br)ccc2F)C1)C1CC1 ZINC000186538446 532341206 /nfs/dbraw/zinc/34/12/06/532341206.db2.gz HETWXOSYNCMLIS-UHFFFAOYSA-N 0 0 384.249 2.051 10 0 GEAERN Cc1ccccc1[C@@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000186871214 532342310 /nfs/dbraw/zinc/34/23/10/532342310.db2.gz XCYMNMFVRSLLAX-CQSZACIVSA-N 0 0 382.507 2.285 10 0 GEAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000186985045 532342826 /nfs/dbraw/zinc/34/28/26/532342826.db2.gz GCAUXHJNAVCBCN-SNVBAGLBSA-N 0 0 380.779 2.244 10 0 GEAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000183747885 532328777 /nfs/dbraw/zinc/32/87/77/532328777.db2.gz LYDZPVVEIGSUPH-GFCCVEGCSA-N 0 0 377.344 2.159 10 0 GEAERN C[C@@H](NC(N)=O)C(=O)Nc1nc(Cc2ccccc2Br)cs1 ZINC000184489965 532333312 /nfs/dbraw/zinc/33/33/12/532333312.db2.gz RLZZNENWVNCKFR-MRVPVSSYSA-N 0 0 383.271 2.492 10 0 GEAERN COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1O ZINC000184674061 532334284 /nfs/dbraw/zinc/33/42/84/532334284.db2.gz DZXVSIPEMFGWTE-WCQYABFASA-N 0 0 385.258 2.124 10 0 GEAERN Cc1c(Cl)cc(NC(=O)C(=O)N2CC(NC(=O)C3CCC3)C2)cc1Cl ZINC000188014005 532346276 /nfs/dbraw/zinc/34/62/76/532346276.db2.gz FNOOKWONWGSISJ-UHFFFAOYSA-N 0 0 384.263 2.367 10 0 GEAERN Cc1ccc(CC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1Br ZINC000188203639 532347235 /nfs/dbraw/zinc/34/72/35/532347235.db2.gz ULKHIQFARISDMM-PBHICJAKSA-N 0 0 381.314 2.479 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)Cc3cccc(Br)c3C)CCO2)[nH]1 ZINC000188398795 532348100 /nfs/dbraw/zinc/34/81/00/532348100.db2.gz UGWRUIWSWKIYGW-CQSZACIVSA-N 0 0 379.258 2.327 10 0 GEAERN Cc1c(Br)cccc1CC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000188423153 532348166 /nfs/dbraw/zinc/34/81/66/532348166.db2.gz NWEIUQMPXSIDKP-DYVFJYSZSA-N 0 0 381.314 2.479 10 0 GEAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3nc(Br)cs3)CCO2)n1 ZINC000188860352 532349904 /nfs/dbraw/zinc/34/99/04/532349904.db2.gz ZBBGRSVRRNMDKX-NSHDSACASA-N 0 0 385.287 2.260 10 0 GEAERN CCn1cc([C@H]2CN(S(=O)(=O)c3cc(F)c(F)cc3F)CCO2)cn1 ZINC000189227643 532351391 /nfs/dbraw/zinc/35/13/91/532351391.db2.gz YESXCYDAVLTARW-CQSZACIVSA-N 0 0 375.372 2.083 10 0 GEAERN CN(c1cccnn1)C1CCN(C(=O)c2ncc(Br)s2)CC1 ZINC000189392459 532351865 /nfs/dbraw/zinc/35/18/65/532351865.db2.gz JVEWDBIOAFQNPQ-UHFFFAOYSA-N 0 0 382.287 2.437 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)NCc2cccc(C)c2Br)CC1 ZINC000190482789 532356212 /nfs/dbraw/zinc/35/62/12/532356212.db2.gz LLPOGUQTBSQFED-HNNXBMFYSA-N 0 0 384.318 2.356 10 0 GEAERN Cc1cccc(CNC(=O)N2CC[C@@H](N3CCOCC3)C2)c1Br ZINC000190494825 532356430 /nfs/dbraw/zinc/35/64/30/532356430.db2.gz UVAPAROMIURSGY-OAHLLOKOSA-N 0 0 382.302 2.374 10 0 GEAERN CCn1cc([C@@H]2CN([C@H](C(N)=O)c3cccc(Br)c3)CCO2)cn1 ZINC000190831776 532358158 /nfs/dbraw/zinc/35/81/58/532358158.db2.gz YIPQWSAJPGRDMI-HOTGVXAUSA-N 0 0 393.285 2.265 10 0 GEAERN Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000187754933 532345449 /nfs/dbraw/zinc/34/54/49/532345449.db2.gz WHFCLZVTMJYMPO-ZDUSSCGKSA-N 0 0 399.314 2.450 10 0 GEAERN C[C@H](CNC(=O)N1CCCNC(=O)[C@H]1C)Oc1ccccc1Br ZINC000191439487 532360965 /nfs/dbraw/zinc/36/09/65/532360965.db2.gz BTTMDOBOJOFVLB-VXGBXAGGSA-N 0 0 384.274 2.136 10 0 GEAERN C[C@@H](CNC(=O)N1CCCNC(=O)[C@H]1C)Oc1ccccc1Br ZINC000191439515 532361045 /nfs/dbraw/zinc/36/10/45/532361045.db2.gz BTTMDOBOJOFVLB-NWDGAFQWSA-N 0 0 384.274 2.136 10 0 GEAERN O=C(Cc1ccc(I)cc1)N[C@@H]1CCCn2ncnc21 ZINC000192054681 532381366 /nfs/dbraw/zinc/38/13/66/532381366.db2.gz SFBRROYJBASMQJ-GFCCVEGCSA-N 0 0 382.205 2.077 10 0 GEAERN Cn1nc(Br)cc1C(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000192139345 532389492 /nfs/dbraw/zinc/38/94/92/532389492.db2.gz DYOFGJUHIIEXLT-JTQLQIEISA-N 0 0 387.278 2.312 10 0 GEAERN CCS(=O)(=O)NCCNC(=O)N[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000193901373 532436232 /nfs/dbraw/zinc/43/62/32/532436232.db2.gz ONEGJEFQTVJWNF-MRVPVSSYSA-N 0 0 386.276 2.432 10 0 GEAERN CN1CCO[C@H](CNC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)C1 ZINC000194476827 532450889 /nfs/dbraw/zinc/45/08/89/532450889.db2.gz UNACRPMWXOWESR-MRXNPFEDSA-N 0 0 379.913 2.377 10 0 GEAERN CC(C)NS(=O)(=O)CCNC(=O)N[C@H](C)c1ccccc1Br ZINC000194462034 532451129 /nfs/dbraw/zinc/45/11/29/532451129.db2.gz LAKNVMVBQIVQDG-LLVKDONJSA-N 0 0 392.319 2.137 10 0 GEAERN CN1CCO[C@H](CNC(=O)c2ccc(Cl)c(I)c2)C1 ZINC000194610091 532454945 /nfs/dbraw/zinc/45/49/45/532454945.db2.gz NACYSGPNXHOOSP-SNVBAGLBSA-N 0 0 394.640 2.005 10 0 GEAERN C[C@@H]1NC(=O)CC[C@@H]1NS(=O)(=O)c1ccc(Br)cc1Cl ZINC000282669539 532486555 /nfs/dbraw/zinc/48/65/55/532486555.db2.gz VYQDVCYOCUGBOE-XVKPBYJWSA-N 0 0 381.679 2.048 10 0 GEAERN CCc1nnsc1C(=O)N1CCOC[C@@H]1c1nc(-c2cccs2)no1 ZINC000374241021 532493817 /nfs/dbraw/zinc/49/38/17/532493817.db2.gz ZPSLWIAWEOKJGC-SNVBAGLBSA-N 0 0 377.451 2.426 10 0 GEAERN O=C(c1cccs1)N1CCC[C@H](CS(=O)(=O)NCc2ccccn2)C1 ZINC000521396668 532513157 /nfs/dbraw/zinc/51/31/57/532513157.db2.gz IRVLGCFDNYGJCF-AWEZNQCLSA-N 0 0 379.507 2.115 10 0 GEAERN COCCN1CCN(S(=O)(=O)c2cc(Br)sc2C)C[C@@H]1C ZINC000246273001 532536628 /nfs/dbraw/zinc/53/66/28/532536628.db2.gz RZXLRRRDCDTIKL-JTQLQIEISA-N 0 0 397.360 2.160 10 0 GEAERN Cc1cc(Cl)c(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)cc1Cl ZINC000246315623 532537368 /nfs/dbraw/zinc/53/73/68/532537368.db2.gz IUZUZEIESNBJOM-RYUDHWBXSA-N 0 0 388.295 2.154 10 0 GEAERN C[C@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)C[C@H]1N1CCOCC1 ZINC000246627576 532542973 /nfs/dbraw/zinc/54/29/73/532542973.db2.gz YJXWZGSZWCQLKH-GXTWGEPZSA-N 0 0 378.416 2.047 10 0 GEAERN CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000248086252 532550304 /nfs/dbraw/zinc/55/03/04/532550304.db2.gz STAQBJJMZYRPDA-CVEARBPZSA-N 0 0 386.901 2.134 10 0 GEAERN O=S(=O)(c1c(Cl)nc2ccccn21)N1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249464851 532565616 /nfs/dbraw/zinc/56/56/16/532565616.db2.gz QASRDANUZXWDJR-CHWSQXEVSA-N 0 0 397.909 2.446 10 0 GEAERN CCS(=O)(=O)c1c(Cl)cccc1CN1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000249434162 532566086 /nfs/dbraw/zinc/56/60/86/532566086.db2.gz KLYYKARUECRNSX-PBHICJAKSA-N 0 0 386.945 2.286 10 0 GEAERN NCc1nc(CN2CCC(C(=O)Nc3cccc(Br)c3)CC2)no1 ZINC000262160076 532586761 /nfs/dbraw/zinc/58/67/61/532586761.db2.gz GWMYPPYSJAJXAG-UHFFFAOYSA-N 0 0 394.273 2.142 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000262697699 532597316 /nfs/dbraw/zinc/59/73/16/532597316.db2.gz GXLPLDJTLVJJIG-UHFFFAOYSA-N 0 0 375.252 2.426 10 0 GEAERN Cc1ccc(NC(=O)CN2CCC([N@H+](C)CC(=O)[O-])CC2)c(Br)c1 ZINC000262902616 532606735 /nfs/dbraw/zinc/60/67/35/532606735.db2.gz IIFZJOXHJSITIN-UHFFFAOYSA-N 0 0 398.301 2.177 10 0 GEAERN CCn1cc(Br)cc1C(=O)N1CCC([N@H+](CC)CC(=O)[O-])CC1 ZINC000262961614 532609364 /nfs/dbraw/zinc/60/93/64/532609364.db2.gz QIFRDQGAPMXLRC-UHFFFAOYSA-N 0 0 386.290 2.282 10 0 GEAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000263064802 532613538 /nfs/dbraw/zinc/61/35/38/532613538.db2.gz YSAXJKKZKSXBBZ-LBPRGKRZSA-N 0 0 378.853 2.039 10 0 GEAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)c2csc3ccccc32)CC1 ZINC000263476484 532625981 /nfs/dbraw/zinc/62/59/81/532625981.db2.gz JKAPOKKBGHQSTG-CYBMUJFWSA-N 0 0 382.507 2.461 10 0 GEAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(Cc2cc(Cl)ccc2Br)CCO1 ZINC000263506494 532628530 /nfs/dbraw/zinc/62/85/30/532628530.db2.gz MFKKPQHWCMXTLV-ZDUSSCGKSA-N 0 0 391.693 2.320 10 0 GEAERN CO[C@H]1C[C@@H](CO)N(C(=O)c2cc(Br)ccc2Br)C1 ZINC000394010734 532710817 /nfs/dbraw/zinc/71/08/17/532710817.db2.gz AEDWZLJYODWQNS-UWVGGRQHSA-N 0 0 393.075 2.433 10 0 GEAERN CNS(=O)(=O)c1ccc(NCc2cn3cc(Br)ccc3n2)nc1 ZINC000301224711 532744605 /nfs/dbraw/zinc/74/46/05/532744605.db2.gz CWTXQAAPYAERCE-UHFFFAOYSA-N 0 0 396.270 2.012 10 0 GEAERN CCc1cnc([C@@H](C)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)s1 ZINC000301593560 532755355 /nfs/dbraw/zinc/75/53/55/532755355.db2.gz YEQWZVVLPIFJKA-GFCCVEGCSA-N 0 0 382.511 2.295 10 0 GEAERN CNc1nc(N2CCS(=O)(=O)c3ccccc3C2)ncc1Br ZINC000302567729 532771033 /nfs/dbraw/zinc/77/10/33/532771033.db2.gz XIJZVRDDLXAYNW-UHFFFAOYSA-N 0 0 383.271 2.075 10 0 GEAERN CC(C)([C@](O)(Cn1cncn1)c1ccc(C(F)(F)F)cc1)S(C)(=O)=O ZINC000000600696 209227925 /nfs/dbraw/zinc/22/79/25/209227925.db2.gz NZEBWFSFYQECNY-AWEZNQCLSA-N 0 0 377.388 2.008 10 0 GEAERN O=C(NCCCS(=O)(=O)N1CCc2ccccc2C1)c1ccc(F)cc1F ZINC000016849368 209183221 /nfs/dbraw/zinc/18/32/21/209183221.db2.gz UUMVCOORCBQQCJ-UHFFFAOYSA-N 0 0 394.443 2.473 10 0 GEAERN COC(=O)[C@@H]1C[C@H](C(=O)NCc2ccon2)[C@H](c2cccc(Cl)c2)N1C ZINC000055153275 212059276 /nfs/dbraw/zinc/05/92/76/212059276.db2.gz OAAOFRCGODOQMP-JYJNAYRXSA-N 0 0 377.828 2.179 10 0 GEAERN COC(=O)Cc1nn(CC(=O)Nc2ccc(C)c(C)c2)c(=O)c2ccccc12 ZINC000040384906 212040949 /nfs/dbraw/zinc/04/09/49/212040949.db2.gz HYECJWMTQFLKLH-UHFFFAOYSA-N 0 0 379.416 2.368 10 0 GEAERN COCc1nn2c(nc(COC(=O)COc3ccccc3Cl)cc2=O)s1 ZINC000041077324 212043137 /nfs/dbraw/zinc/04/31/37/212043137.db2.gz NPHIEJOYEJUAEF-UHFFFAOYSA-N 0 0 395.824 2.073 10 0 GEAERN O=C(NCc1ccco1)c1ccc(NC(=O)c2cccc(-n3cnnc3)n2)cc1 ZINC000032646609 209179214 /nfs/dbraw/zinc/17/92/14/209179214.db2.gz DNSDWTHSENPIEN-UHFFFAOYSA-N 0 0 388.387 2.438 10 0 GEAERN CN(Cc1cc[nH]n1)Cc1cccc(-c2nc(CCn3cccn3)cc(=O)[nH]2)c1 ZINC000023581318 209175153 /nfs/dbraw/zinc/17/51/53/209175153.db2.gz WAAZILQGLAUUKG-UHFFFAOYSA-N 0 0 389.463 2.231 10 0 GEAERN Cn1nccc1N1CCC[C@@H](NS(=O)(=O)c2cccc3ccccc32)C1=O ZINC000328613722 209147347 /nfs/dbraw/zinc/14/73/47/209147347.db2.gz TXXMLCOFIRNUOI-MRXNPFEDSA-N 0 0 384.461 2.047 10 0 GEAERN Cc1ccc(S(=O)(=O)N2CCN(c3cc(-c4cccnc4)[nH]n3)CC2)cc1 ZINC000097137036 211358595 /nfs/dbraw/zinc/35/85/95/211358595.db2.gz PRAICJDIPSNXTI-UHFFFAOYSA-N 0 0 383.477 2.291 10 0 GEAERN O=S(=O)([O-])[C@@H]1C/[N+](=c2\scc(-c3c(F)cccc3F)s2)CCS1 ZINC000095932633 211284761 /nfs/dbraw/zinc/28/47/61/211284761.db2.gz SBLFMTYRKIYNLC-IVDGFRAVSA-O 0 0 396.507 2.488 10 0 GEAERN CC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@@H](C)n1ccnc1C(C)C)CC2 ZINC000092061713 211215533 /nfs/dbraw/zinc/21/55/33/211215533.db2.gz VIENIZXBKSYZCT-OAHLLOKOSA-N 0 0 398.511 2.213 10 0 GEAERN Cn1cc(CN(C(=O)[C@@H]2CCC(=O)N(Cc3cccc(F)c3)C2)C2CC2)cn1 ZINC000091587163 211196551 /nfs/dbraw/zinc/19/65/51/211196551.db2.gz CZNRZPVROWONOC-QGZVFWFLSA-N 0 0 384.455 2.489 10 0 GEAERN O=C(c1ccc2[nH]ccc2c1)N1CCCN([C@H]2CCN(CC3CC3)C2=O)CC1 ZINC000085824391 211177289 /nfs/dbraw/zinc/17/72/89/211177289.db2.gz HVTHNRKQAQFWIN-FQEVSTJZSA-N 0 0 380.492 2.327 10 0 GEAERN CN(C)C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)c1c[nH]nc1-c1cccc(F)c1 ZINC000082145975 211162635 /nfs/dbraw/zinc/16/26/35/211162635.db2.gz BUQSKGDELKPJCY-KBPBESRZSA-N 0 0 377.395 2.040 10 0 GEAERN Cc1cc(C)nc(CCNC(=O)[C@@H]2CCC(=O)N(CCc3ccccc3)C2)n1 ZINC000015073191 211127431 /nfs/dbraw/zinc/12/74/31/211127431.db2.gz AQPVJGVPSWGQIR-LJQANCHMSA-N 0 0 380.492 2.233 10 0 GEAERN CC1CCN(C(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(Cl)c(F)c2)CC1 ZINC000055090960 210882187 /nfs/dbraw/zinc/88/21/87/210882187.db2.gz OFJDDAHWOROSNY-QGZVFWFLSA-N 0 0 381.879 2.428 10 0 GEAERN O=C(NC[C@@H]1CCCO1)c1csc(CN2CCN(c3ccccc3)CC2)n1 ZINC000034685398 210661334 /nfs/dbraw/zinc/66/13/34/210661334.db2.gz FOAZUPWKNZUPBH-KRWDZBQOSA-N 0 0 386.521 2.374 10 0 GEAERN CN(C)S(=O)(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccccc2)cc1 ZINC000033415136 210647045 /nfs/dbraw/zinc/64/70/45/210647045.db2.gz RATLUNPRUARWQY-JYRVWZFOSA-N 0 0 389.502 2.463 10 0 GEAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000368944733 532935594 /nfs/dbraw/zinc/93/55/94/532935594.db2.gz GPSUWFPOPVHXGP-WDEREUQCSA-N 0 0 376.404 2.056 10 0 GEAERN CCCn1nc(C(=O)N(CCC(N)=O)c2ccccc2)c2ccccc2c1=O ZINC000024775027 210470086 /nfs/dbraw/zinc/47/00/86/210470086.db2.gz ZLTOKYOZVLCMNK-UHFFFAOYSA-N 0 0 378.432 2.329 10 0 GEAERN O=C(CN1CCN(Cc2ccc(Cl)cc2)S1(=O)=O)Nc1ccccc1 ZINC000021923762 210401172 /nfs/dbraw/zinc/40/11/72/210401172.db2.gz KZFCFYYPRBUOME-UHFFFAOYSA-N 0 0 379.869 2.341 10 0 GEAERN COc1ccc(-n2ccn3c(CCC(=O)N4CCC(C)CC4)nnc3c2=O)cc1 ZINC000021540522 210385294 /nfs/dbraw/zinc/38/52/94/210385294.db2.gz NFTYKZVYSKNPOD-UHFFFAOYSA-N 0 0 395.463 2.080 10 0 GEAERN COc1ccc(C2=NN(C(C)=O)[C@@H](Cn3nnc4ccccc43)O2)c(OC)c1 ZINC000021093171 210376431 /nfs/dbraw/zinc/37/64/31/210376431.db2.gz YQGIQOTWVOIFNC-GOSISDBHSA-N 0 0 381.392 2.015 10 0 GEAERN COc1ccc(OC)c(CNC(=O)c2noc3ncnc(N4CCCC4)c23)c1 ZINC000020993744 210372144 /nfs/dbraw/zinc/37/21/44/210372144.db2.gz OTTLFQBZGOOTPK-UHFFFAOYSA-N 0 0 383.408 2.165 10 0 GEAERN CCCNC(=O)c1ccc([C@@H]2CCCN2C(=O)c2nc3ncccn3n2)s1 ZINC000020905763 210368266 /nfs/dbraw/zinc/36/82/66/210368266.db2.gz WCPOLOUJUCRFBN-LBPRGKRZSA-N 0 0 384.465 2.303 10 0 GEAERN COc1cccc(CNC2(Cc3cc(C(=O)N4CCCCC4)on3)COC2)c1 ZINC000067898506 210340450 /nfs/dbraw/zinc/34/04/50/210340450.db2.gz FCKLFUJPLYWXKR-UHFFFAOYSA-N 0 0 385.464 2.411 10 0 GEAERN Cc1cccc(CC(=O)N2CCCC[C@@H]2CCn2cc(C(=O)NC3CC3)nn2)c1 ZINC000019642407 210277962 /nfs/dbraw/zinc/27/79/62/210277962.db2.gz ZGRLGLLGPCNIAM-LJQANCHMSA-N 0 0 395.507 2.493 10 0 GEAERN Cc1ccc(NC(=O)C2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 ZINC000065237100 136160996 /nfs/dbraw/zinc/16/09/96/136160996.db2.gz PZRFCXWRVUGVGA-UHFFFAOYSA-N 0 0 381.480 2.477 10 0 GEAERN CCn1cc([C@@H]2CN(S(=O)(=O)Cc3cccc4cccnc43)CCO2)cn1 ZINC000189218831 523467819 /nfs/dbraw/zinc/46/78/19/523467819.db2.gz CAJWLZSBMQSNGZ-SFHVURJKSA-N 0 0 386.477 2.355 10 0 GEAERN CCOC(=O)[C@@H](C(C)=O)[C@H](c1ccc(N(C)C)cc1)[C@@H](C(C)=O)C(=O)OCC ZINC000248094170 570283525 /nfs/dbraw/zinc/28/35/25/570283525.db2.gz YRVDUSDVNDATNF-REPLKXPHSA-N 0 0 391.464 2.373 10 0 GEAERN COCCn1c(=O)c2c(ncn2Cc2ccc(C)cc2)n(-c2ccccc2)c1=O ZINC000034692838 570296575 /nfs/dbraw/zinc/29/65/75/570296575.db2.gz ZHTANNCCBRYMSH-UHFFFAOYSA-N 0 0 390.443 2.352 10 0 GEAERN CC[C@@H](C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(OC)c1 ZINC000004924276 570370650 /nfs/dbraw/zinc/37/06/50/570370650.db2.gz MBDHSTAQLREJNR-LLVKDONJSA-N 0 0 387.465 2.134 10 0 GEAERN O=C(c1noc2c1CCCC2)N1CCn2nc([C@H](O)c3ccccc3)cc2C1 ZINC000221261965 570392382 /nfs/dbraw/zinc/39/23/82/570392382.db2.gz BILJWSYBKXTIBX-HXUWFJFHSA-N 0 0 378.432 2.488 10 0 GEAERN COc1ccc(CNC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCCC3)c2C)cc1 ZINC000035552459 570394873 /nfs/dbraw/zinc/39/48/73/570394873.db2.gz OSBKZTVWLBDSOB-UHFFFAOYSA-N 0 0 391.493 2.355 10 0 GEAERN COc1ccc(Cn2nnc(C(=O)NC[C@@H]3CCCO3)c2-n2cccc2)cc1 ZINC000064999503 570641522 /nfs/dbraw/zinc/64/15/22/570641522.db2.gz JFOZOCDZHCOOBM-KRWDZBQOSA-N 0 0 381.436 2.035 10 0 GEAERN COCCN1C(=O)C[C@@H](CNc2nc3cc(F)ccc3o2)[C@@H]1c1cnn(C)c1 ZINC000275377312 570691831 /nfs/dbraw/zinc/69/18/31/570691831.db2.gz YHLZSPOFVINPGO-KPZWWZAWSA-N 0 0 387.415 2.349 10 0 GEAERN CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)CCn1cncn1)CC2 ZINC000275546418 570695723 /nfs/dbraw/zinc/69/57/23/570695723.db2.gz DVWKIWRJNQITIM-QGZVFWFLSA-N 0 0 387.509 2.160 10 0 GEAERN CC(C)[C@H]1OCCC[C@@H]1Nc1cc(N2CCC(N3CCNC3=O)CC2)ncn1 ZINC000275607433 570697485 /nfs/dbraw/zinc/69/74/85/570697485.db2.gz IKRDXMDBGZTYQN-QFBILLFUSA-N 0 0 388.516 2.086 10 0 GEAERN CCc1noc2ncc(S(=O)(=O)N3C[C@@H](CO)[C@@H](c4ccsc4)C3)cc12 ZINC000249197001 570763698 /nfs/dbraw/zinc/76/36/98/570763698.db2.gz BXBYBMXHTJWBPX-SWLSCSKDSA-N 0 0 393.490 2.243 10 0 GEAERN CCCNC(=O)[C@@H]1CCc2nc(N3CCN(C(=O)C4CCC4)CC3)sc2C1 ZINC000065273694 570779443 /nfs/dbraw/zinc/77/94/43/570779443.db2.gz GDKINAICXQVEIJ-OAHLLOKOSA-N 0 0 390.553 2.223 10 0 GEAERN O=C1CCCN1c1ccc(S(=O)(=O)N2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000097015733 570886693 /nfs/dbraw/zinc/88/66/93/570886693.db2.gz URBRQMHCUVPYHK-QGZVFWFLSA-N 0 0 387.461 2.050 10 0 GEAERN Cn1cc(Br)cc1C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000010998460 642365522 /nfs/dbraw/zinc/36/55/22/642365522.db2.gz ZKZAVWYXVNHERQ-GFCCVEGCSA-N 0 0 383.267 2.436 10 0 GEAERN C[C@H](NC(=O)CNC1=NS(=O)(=O)c2ccccc21)c1cccc(Cl)c1 ZINC000016017901 642384391 /nfs/dbraw/zinc/38/43/91/642384391.db2.gz AAYKWQHWACPJGP-NSHDSACASA-N 0 0 377.853 2.256 10 0 GEAERN CCOc1ccc(S(=O)(=O)N2CCN(c3cncc(Cl)n3)CC2)cc1 ZINC000043534541 642561538 /nfs/dbraw/zinc/56/15/38/642561538.db2.gz YVIVIMZTNOGOFN-UHFFFAOYSA-N 0 0 382.873 2.040 10 0 GEAERN C[C@H](NS(=O)(=O)c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000044301403 642573913 /nfs/dbraw/zinc/57/39/13/642573913.db2.gz MGIFTPYISPPZOE-JTQLQIEISA-N 0 0 375.418 2.408 10 0 GEAERN C[C@H](NC(=O)c1c(Cl)nc2ccccn21)c1ccc(S(N)(=O)=O)cc1 ZINC000044820035 642582477 /nfs/dbraw/zinc/58/24/77/642582477.db2.gz WBMXXSFNXAGCRZ-JTQLQIEISA-N 0 0 378.841 2.126 10 0 GEAERN CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(F)cc2I)C1 ZINC000048607661 642655794 /nfs/dbraw/zinc/65/57/94/642655794.db2.gz KOYZRXFDXMNZBX-LLVKDONJSA-N 0 0 390.196 2.171 10 0 GEAERN C[C@H](NC(=O)C(=O)Nc1cccc(C(N)=O)c1)c1ccccc1Br ZINC000048809381 642662853 /nfs/dbraw/zinc/66/28/53/642662853.db2.gz ILJWZLNDMZNCIY-JTQLQIEISA-N 0 0 390.237 2.364 10 0 GEAERN C[C@H](NC(=O)CCNS(=O)(=O)c1cccnc1)c1ccc(F)c(Cl)c1 ZINC000055746132 642782332 /nfs/dbraw/zinc/78/23/32/642782332.db2.gz JDUYSSATKCFXIQ-NSHDSACASA-N 0 0 385.848 2.420 10 0 GEAERN Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1[C@@H]1NC(=O)[C@@H]2COCCN12 ZINC000093884352 643081403 /nfs/dbraw/zinc/08/14/03/643081403.db2.gz SEIVQHZYWRWBHB-XJKSGUPXSA-N 0 0 381.263 2.376 10 0 GEAERN O=S(=O)(NC[C@H]1CCCC[C@H]1O)c1ccc(I)cc1 ZINC000096846114 643091246 /nfs/dbraw/zinc/09/12/46/643091246.db2.gz CCMJDFIFYOPRAC-ZWNOBZJWSA-N 0 0 395.262 2.121 10 0 GEAERN CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000102812506 643140840 /nfs/dbraw/zinc/14/08/40/643140840.db2.gz FVRGEYJLGSNONO-GWCFXTLKSA-N 0 0 385.258 2.470 10 0 GEAERN CN1CCO[C@H](CNC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000105283583 643202716 /nfs/dbraw/zinc/20/27/16/643202716.db2.gz PYEQIABHOSZCIM-CQSZACIVSA-N 0 0 390.311 2.218 10 0 GEAERN COc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C)cc1Cl ZINC000105616593 643211461 /nfs/dbraw/zinc/21/14/61/643211461.db2.gz ODOOZTIZFCWQKZ-LLVKDONJSA-N 0 0 381.281 2.243 10 0 GEAERN COc1cc(Cl)c(S(=O)(=O)N2CCC[C@H](NC(C)=O)C2)cc1Cl ZINC000105618309 643212075 /nfs/dbraw/zinc/21/20/75/643212075.db2.gz HRLPBATYUOJSLL-JTQLQIEISA-N 0 0 381.281 2.291 10 0 GEAERN Fc1ccc(CN2CCN(c3ccc4nncn4n3)CC2)cc1Br ZINC000106091887 643220248 /nfs/dbraw/zinc/22/02/48/643220248.db2.gz ZVAOTPSRRGRUKY-UHFFFAOYSA-N 0 0 391.248 2.348 10 0 GEAERN Fc1cc(Br)ccc1CN1CCN(c2ccc3nncn3n2)CC1 ZINC000106093340 643220881 /nfs/dbraw/zinc/22/08/81/643220881.db2.gz NZRVTORDMDYPTQ-UHFFFAOYSA-N 0 0 391.248 2.348 10 0 GEAERN COCCN1CCN(CC(=O)N(C)Cc2ccccc2Br)C[C@@H]1C ZINC000106109930 643223091 /nfs/dbraw/zinc/22/30/91/643223091.db2.gz RMSPFQTZOIFEIL-HNNXBMFYSA-N 0 0 398.345 2.060 10 0 GEAERN COCCN1CCN([C@@H](C)C(=O)Nc2ccc(Br)cc2)C[C@H]1C ZINC000106109995 643223247 /nfs/dbraw/zinc/22/32/47/643223247.db2.gz GDHYGHMJUCOJIB-KGLIPLIRSA-N 0 0 384.318 2.429 10 0 GEAERN CCOCCN1CCN(Cc2ccc(S(=O)(=O)C(F)F)cc2)C[C@@H]1C ZINC000106111697 643223473 /nfs/dbraw/zinc/22/34/73/643223473.db2.gz AFRGTEKPBYSHHX-AWEZNQCLSA-N 0 0 376.469 2.226 10 0 GEAERN CC[C@@H]1CN(Cc2ccc(S(=O)(=O)C(F)F)cc2)CCN1CCOC ZINC000106114892 643224136 /nfs/dbraw/zinc/22/41/36/643224136.db2.gz FODWQVNGXPXHNK-OAHLLOKOSA-N 0 0 376.469 2.226 10 0 GEAERN CN(CC(=O)N(C)CC(F)(F)F)C[C@H](c1cccs1)N1CCOCC1 ZINC000106160595 643224363 /nfs/dbraw/zinc/22/43/63/643224363.db2.gz OJCLVULTFMPCMR-CYBMUJFWSA-N 0 0 379.448 2.074 10 0 GEAERN Brc1ccc(-c2nnc(CN3CCO[C@H](Cn4cccn4)C3)o2)o1 ZINC000106192377 643225612 /nfs/dbraw/zinc/22/56/12/643225612.db2.gz DHPXXYDERXVOSJ-NSHDSACASA-N 0 0 394.229 2.190 10 0 GEAERN CCCC(=O)N[C@H]1CCCN(C(=O)c2sccc2S(=O)(=O)C(F)F)C1 ZINC000108165690 643267120 /nfs/dbraw/zinc/26/71/20/643267120.db2.gz XHECEGBLYUQUNI-JTQLQIEISA-N 0 0 394.465 2.265 10 0 GEAERN CCc1nnsc1C(=O)N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 ZINC000109667103 643299056 /nfs/dbraw/zinc/29/90/56/643299056.db2.gz QSIVFETXIGBIKZ-UHFFFAOYSA-N 0 0 382.921 2.008 10 0 GEAERN Cn1cc(CN2CCCN(C(=O)Cc3ccc(Br)cc3)CC2)cn1 ZINC000109657574 643299083 /nfs/dbraw/zinc/29/90/83/643299083.db2.gz OFIVJFVCKVHPPB-UHFFFAOYSA-N 0 0 391.313 2.460 10 0 GEAERN Cc1cnn([C@@H]2CCCN(C(=O)CNC(=O)c3ccc(Br)o3)C2)c1 ZINC000109684177 643299249 /nfs/dbraw/zinc/29/92/49/643299249.db2.gz QGOQTKGRJQXNCB-GFCCVEGCSA-N 0 0 395.257 2.141 10 0 GEAERN Cc1nc(CN2CCCN(C(=O)c3ccccc3Br)CC2)no1 ZINC000109923831 643303882 /nfs/dbraw/zinc/30/38/82/643303882.db2.gz JPSPGMVKARBHMM-UHFFFAOYSA-N 0 0 379.258 2.489 10 0 GEAERN Cc1ncc(CN2CCN(C(=O)NCCCOCC(F)(F)F)CC2)s1 ZINC000111818538 643347179 /nfs/dbraw/zinc/34/71/79/643347179.db2.gz FHYQHDTUEWXBIO-UHFFFAOYSA-N 0 0 380.436 2.248 10 0 GEAERN COc1cc(Br)cc(C)c1NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112712228 643370968 /nfs/dbraw/zinc/37/09/68/643370968.db2.gz MOIGVKAROCPUIQ-LLVKDONJSA-N 0 0 380.246 2.494 10 0 GEAERN CC(=O)N(c1nn(CN2CC[C@H](c3cnn(C)c3)C2)c(=S)s1)C1CC1 ZINC000116258592 643455793 /nfs/dbraw/zinc/45/57/93/643455793.db2.gz UQQWECCUMGPHCD-LBPRGKRZSA-N 0 0 378.527 2.370 10 0 GEAERN COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000116370577 643461026 /nfs/dbraw/zinc/46/10/26/643461026.db2.gz RDSOMVNDAIRIKC-GFCCVEGCSA-N 0 0 383.857 2.038 10 0 GEAERN Cn1cc([C@H]2CCN(S(=O)(=O)c3cc(Br)ccc3F)C2)cn1 ZINC000116371261 643461922 /nfs/dbraw/zinc/46/19/22/643461922.db2.gz ACVPOUSZRBATBS-JTQLQIEISA-N 0 0 388.262 2.500 10 0 GEAERN COCCN1CCN(S(=O)(=O)Cc2ccccc2C(F)(F)F)C[C@H]1C ZINC000117369347 643489427 /nfs/dbraw/zinc/48/94/27/643489427.db2.gz CVRGARYIOXVWBV-CYBMUJFWSA-N 0 0 380.432 2.188 10 0 GEAERN COCCN1CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)C[C@@H]1C ZINC000117369579 643489442 /nfs/dbraw/zinc/48/94/42/643489442.db2.gz KHEOEHYSLUCPJU-NSHDSACASA-N 0 0 397.324 2.343 10 0 GEAERN COCCN1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C[C@@H]1C ZINC000117369848 643490148 /nfs/dbraw/zinc/49/01/48/643490148.db2.gz HTYOCYNXHZWGRM-LBPRGKRZSA-N 0 0 381.325 2.476 10 0 GEAERN COCCN1CCN(S(=O)(=O)c2cc(Br)ccc2C)C[C@H]1C ZINC000117370159 643490162 /nfs/dbraw/zinc/49/01/62/643490162.db2.gz YUZMUULTFXRRIE-CYBMUJFWSA-N 0 0 391.331 2.099 10 0 GEAERN CC(=O)N[C@H](CC(=O)NCCn1cc(C)cn1)c1ccc(Br)cc1 ZINC000117817993 643499962 /nfs/dbraw/zinc/49/99/62/643499962.db2.gz AKJHTZAXCASRGR-MRXNPFEDSA-N 0 0 393.285 2.338 10 0 GEAERN COC[C@H](C)C(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000118365658 643511181 /nfs/dbraw/zinc/51/11/81/643511181.db2.gz NKNVTONQHCPBMO-NSHDSACASA-N 0 0 392.315 2.400 10 0 GEAERN O=C(COc1ccc(Br)cc1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000118674514 643519023 /nfs/dbraw/zinc/51/90/23/643519023.db2.gz YJSQMJXYKCQSJS-CQSZACIVSA-N 0 0 391.269 2.403 10 0 GEAERN Cn1cc([C@H]2CCN(C(=O)C(=O)Nc3cc(F)ccc3Br)C2)cn1 ZINC000119632316 643562447 /nfs/dbraw/zinc/56/24/47/643562447.db2.gz ILDLAFXOYJOBFD-JTQLQIEISA-N 0 0 395.232 2.276 10 0 GEAERN C[C@@H]1CCCN(c2cc(NCCNS(=O)(=O)c3cccs3)ncn2)C1 ZINC000119999286 643584888 /nfs/dbraw/zinc/58/48/88/643584888.db2.gz HPUBOPYTKIYRAQ-CYBMUJFWSA-N 0 0 381.527 2.165 10 0 GEAERN C[C@@H]1CN(Cn2nc(-c3cccs3)n(C3CC3)c2=S)C[C@@H](C(N)=O)O1 ZINC000120265472 643596744 /nfs/dbraw/zinc/59/67/44/643596744.db2.gz VFBKQPSFPQNACS-PWSUYJOCSA-N 0 0 379.511 2.010 10 0 GEAERN C[C@H](NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl)[C@H]1CCCO1 ZINC000122043249 643648970 /nfs/dbraw/zinc/64/89/70/643648970.db2.gz AJYJSGGOZRXEFY-GXFFZTMASA-N 0 0 395.308 2.346 10 0 GEAERN Cc1cc(S(=O)(=O)N(C)C(=O)[C@@H]2CC[C@@H](C)O2)ccc1Br ZINC000124296140 643683912 /nfs/dbraw/zinc/68/39/12/643683912.db2.gz FWTFZVFPYPHGMS-MFKMUULPSA-N 0 0 376.272 2.472 10 0 GEAERN CCc1nc2n(n1)CCC[C@H]2N[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000126029106 643719090 /nfs/dbraw/zinc/71/90/90/643719090.db2.gz GNSVVBVNPQGYSB-TZMCWYRMSA-N 0 0 396.264 2.393 10 0 GEAERN C[C@H](NC(=O)Nc1cncc(Br)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000126130923 643721630 /nfs/dbraw/zinc/72/16/30/643721630.db2.gz OTXLRFLGAZGIME-VIFPVBQESA-N 0 0 399.270 2.374 10 0 GEAERN C[C@H]1CN(S(=O)(=O)c2cc(N(C)C)ccc2Br)C[C@H](C)O1 ZINC000126567878 643735895 /nfs/dbraw/zinc/73/58/95/643735895.db2.gz RVGQMSMOZBUFLE-QWRGUYRKSA-N 0 0 377.304 2.313 10 0 GEAERN Cc1noc([C@@H](C)N2CCN(S(=O)(=O)c3cc(C)ccc3Cl)CC2)n1 ZINC000127354344 643772824 /nfs/dbraw/zinc/77/28/24/643772824.db2.gz XVLFSGNTWSOBPM-GFCCVEGCSA-N 0 0 384.889 2.407 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(C)ccc1Br ZINC000128157374 643793878 /nfs/dbraw/zinc/79/38/78/643793878.db2.gz XYFVFUUWHDDLAV-LBPRGKRZSA-N 0 0 385.287 2.471 10 0 GEAERN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000151275420 643934413 /nfs/dbraw/zinc/93/44/13/643934413.db2.gz KNRTVGVKOXMUNW-YVEFUNNKSA-N 0 0 386.901 2.015 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)Nc3ccc(C)nc3Br)CCO2)[nH]1 ZINC000151296207 643936038 /nfs/dbraw/zinc/93/60/38/643936038.db2.gz QMANCOFMIPEQFW-NSHDSACASA-N 0 0 381.234 2.184 10 0 GEAERN S=c1oc(Cc2cccs2)nn1CN1CCO[C@H](Cn2cccn2)C1 ZINC000152783561 643973050 /nfs/dbraw/zinc/97/30/50/643973050.db2.gz OFZNBVTWNBHFMN-ZDUSSCGKSA-N 0 0 377.495 2.413 10 0 GEAERN Brc1cccc2c1cnn2CN1CCO[C@H](Cn2cccn2)C1 ZINC000152796158 643973898 /nfs/dbraw/zinc/97/38/98/643973898.db2.gz FDCQKPSXULOOFE-ZDUSSCGKSA-N 0 0 376.258 2.354 10 0 GEAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000154147806 644021243 /nfs/dbraw/zinc/02/12/43/644021243.db2.gz FBGOJYUQSGLOGM-OAHLLOKOSA-N 0 0 380.897 2.491 10 0 GEAERN CCn1c(-c2cc(Br)ccc2F)nc2c1c(=O)[nH]c(=O)n2CC ZINC000154529472 644049501 /nfs/dbraw/zinc/04/95/01/644049501.db2.gz YXAOZNFVBKNGLM-UHFFFAOYSA-N 0 0 381.205 2.495 10 0 GEAERN CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1O ZINC000156593816 644106159 /nfs/dbraw/zinc/10/61/59/644106159.db2.gz ORCMGNUUJGXMLE-WCQYABFASA-N 0 0 385.258 2.206 10 0 GEAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccccc1Br ZINC000157045994 644128017 /nfs/dbraw/zinc/12/80/17/644128017.db2.gz RYXYGSQDRBMQKC-LLVKDONJSA-N 0 0 385.287 2.416 10 0 GEAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000157056466 644128856 /nfs/dbraw/zinc/12/88/56/644128856.db2.gz SMELCNZIWGEVEU-JTQLQIEISA-N 0 0 376.269 2.356 10 0 GEAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000158515484 644147568 /nfs/dbraw/zinc/14/75/68/644147568.db2.gz DJCWWSYHEUNEJW-ZWNOBZJWSA-N 0 0 391.827 2.157 10 0 GEAERN COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000158850603 644163555 /nfs/dbraw/zinc/16/35/55/644163555.db2.gz ULHOKZCYWQPSDR-UHFFFAOYSA-N 0 0 383.857 2.418 10 0 GEAERN O=S(=O)(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc(Cl)s1 ZINC000158865841 644164117 /nfs/dbraw/zinc/16/41/17/644164117.db2.gz RKEIHRNQHKZNSA-AWEZNQCLSA-N 0 0 386.926 2.099 10 0 GEAERN O=S(=O)(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000158882873 644164940 /nfs/dbraw/zinc/16/49/40/644164940.db2.gz OUSHDFKIILRHRV-KRWDZBQOSA-N 0 0 380.897 2.038 10 0 GEAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(Br)nc1 ZINC000166596585 644277137 /nfs/dbraw/zinc/27/71/37/644277137.db2.gz BCLBKWUQGRMEAN-SNVBAGLBSA-N 0 0 381.234 2.239 10 0 GEAERN COc1ccc(S(=O)(=O)C(F)(F)F)cc1NCc1nnnn1C(C)C ZINC000170642018 644283906 /nfs/dbraw/zinc/28/39/06/644283906.db2.gz AGFVBHQOVRJXMX-UHFFFAOYSA-N 0 0 379.364 2.168 10 0 GEAERN C[C@H]1C[C@@H]1NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000171062245 644305231 /nfs/dbraw/zinc/30/52/31/644305231.db2.gz SKKXFHMNUMDKQO-WFASDCNBSA-N 0 0 380.491 2.477 10 0 GEAERN C[C@@H]1C[C@@H]1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br ZINC000171059847 644305441 /nfs/dbraw/zinc/30/54/41/644305441.db2.gz KJDSHCVAQJALTB-YGRLFVJLSA-N 0 0 387.299 2.372 10 0 GEAERN C[C@H]1CN(C(=O)NCCNC(=O)c2cccc(Br)c2)CCS1 ZINC000171437375 644322472 /nfs/dbraw/zinc/32/24/72/644322472.db2.gz YBUMINKOMNOMHN-NSHDSACASA-N 0 0 386.315 2.326 10 0 GEAERN C[C@H](NS(=O)(=O)CCS(C)(=O)=O)c1c(Cl)ccc(F)c1Cl ZINC000173051361 644349016 /nfs/dbraw/zinc/34/90/16/644349016.db2.gz YLWQNGRWMHREJV-ZETCQYMHSA-N 0 0 378.274 2.158 10 0 GEAERN O=C(N[C@@H]1CCc2cc(Cl)ccc21)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000175792298 644393728 /nfs/dbraw/zinc/39/37/28/644393728.db2.gz CPVCSEHGBOORSX-CJNGLKHVSA-N 0 0 377.853 2.174 10 0 GEAERN Brc1nc(Br)n(CN2CCO[C@@H]3CCCC[C@@H]32)n1 ZINC000176878962 644406801 /nfs/dbraw/zinc/40/68/01/644406801.db2.gz UMVDGDCCMZHNLE-DTWKUNHWSA-N 0 0 380.084 2.404 10 0 GEAERN CNC(=O)[C@H](NC(=O)N1CCO[C@@H](c2ccccc2Br)C1)C(C)C ZINC000178417398 644432920 /nfs/dbraw/zinc/43/29/20/644432920.db2.gz FRSPOJOEUAYFLE-HUUCEWRRSA-N 0 0 398.301 2.303 10 0 GEAERN COC(=O)C1CCC(C(=O)OCCn2cc(Br)ccc2=O)CC1 ZINC000181355850 644532451 /nfs/dbraw/zinc/53/24/51/644532451.db2.gz KXGXFMSASBAMME-UHFFFAOYSA-N 0 0 386.242 2.133 10 0 GEAERN CCS(=O)(=O)c1cc(F)ccc1NC(=O)C(=O)N[C@@H](C)c1cccs1 ZINC000184428193 645017820 /nfs/dbraw/zinc/01/78/20/645017820.db2.gz RXXSVPGDJAMHEZ-JTQLQIEISA-N 0 0 384.454 2.497 10 0 GEAERN C[C@@H](NC(=O)C(=O)Nc1cncnc1N(C)C)c1ccccc1Br ZINC000184427414 645017875 /nfs/dbraw/zinc/01/78/75/645017875.db2.gz PDNIUJGOCZHYPF-SNVBAGLBSA-N 0 0 392.257 2.121 10 0 GEAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)O[C@@H](C)C(Cl)(Cl)Cl ZINC000184646275 645023570 /nfs/dbraw/zinc/02/35/70/645023570.db2.gz SEUHSCXQWFDEAK-YUMQZZPRSA-N 0 0 399.683 2.416 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)NCCc2ccc(Br)s2)CC1 ZINC000184773690 645026265 /nfs/dbraw/zinc/02/62/65/645026265.db2.gz PDYWOJAQHKVADK-LBPRGKRZSA-N 0 0 390.347 2.151 10 0 GEAERN CCO[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(F)c(F)c2F)C12CCOCC2 ZINC000185155941 645037581 /nfs/dbraw/zinc/03/75/81/645037581.db2.gz XVYOSYXDTYPPMU-CHWSQXEVSA-N 0 0 379.400 2.356 10 0 GEAERN CCO[C@@H]1C[C@@H](NS(=O)(=O)c2cc(F)c(F)cc2F)C12CCOCC2 ZINC000185158354 645037590 /nfs/dbraw/zinc/03/75/90/645037590.db2.gz NROIPAABNQGMMW-HUUCEWRRSA-N 0 0 379.400 2.356 10 0 GEAERN C[C@@H](OC(=O)[C@@H]1CCCN1S(C)(=O)=O)c1ccccc1Br ZINC000186090274 645060147 /nfs/dbraw/zinc/06/01/47/645060147.db2.gz QLPUSXYJJWGLNN-MFKMUULPSA-N 0 0 376.272 2.477 10 0 GEAERN O=C(NC1CN(S(=O)(=O)c2ccc(SC(F)(F)F)cc2)C1)C1CC1 ZINC000187922793 645100607 /nfs/dbraw/zinc/10/06/07/645100607.db2.gz QMPLIPSMCABRBG-UHFFFAOYSA-N 0 0 380.413 2.198 10 0 GEAERN Cn1cc(CN2CCCN(C(=O)Nc3cccc(Br)n3)CC2)cn1 ZINC000188530315 645116305 /nfs/dbraw/zinc/11/63/05/645116305.db2.gz VHATYLNCPRAFQA-UHFFFAOYSA-N 0 0 393.289 2.317 10 0 GEAERN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000189307900 645135587 /nfs/dbraw/zinc/13/55/87/645135587.db2.gz AEXWRXKZJJPBFI-NXEZZACHSA-N 0 0 393.259 2.464 10 0 GEAERN C[C@H](CCNC(=O)c1cc(Br)nn1C)NC(=O)OC(C)(C)C ZINC000192101418 645193252 /nfs/dbraw/zinc/19/32/52/645193252.db2.gz FRPBXOOMESWMEK-SECBINFHSA-N 0 0 375.267 2.216 10 0 GEAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2ncc(Br)s2)CC1 ZINC000192423486 645204396 /nfs/dbraw/zinc/20/43/96/645204396.db2.gz UAPZYLRDUCWJDW-UHFFFAOYSA-N 0 0 398.330 2.214 10 0 GEAERN C[C@H](NC(=O)NCCC(=O)N1CCOCC1)c1cccc(Br)c1 ZINC000192481373 645208946 /nfs/dbraw/zinc/20/89/46/645208946.db2.gz UOXVOMLBJKZHNE-LBPRGKRZSA-N 0 0 384.274 2.058 10 0 GEAERN O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CC[C@@H](Oc2cccnc2)C1 ZINC000192930681 645231627 /nfs/dbraw/zinc/23/16/27/645231627.db2.gz QWGFXMFNDQFHOV-SNVBAGLBSA-N 0 0 376.331 2.480 10 0 GEAERN O=C(Nc1nc2c(s1)CCCC2)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000193100063 645241356 /nfs/dbraw/zinc/24/13/56/645241356.db2.gz DJDNMGSPCGMTIF-NSHDSACASA-N 0 0 378.479 2.017 10 0 GEAERN Cc1nc(NC(=O)C(=O)N[C@H]2COc3ccccc32)ccc1Br ZINC000193137538 645245264 /nfs/dbraw/zinc/24/52/64/645245264.db2.gz HGXHLRJIMSGHOW-LBPRGKRZSA-N 0 0 376.210 2.341 10 0 GEAERN CCc1nc(NC(=O)C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)sc1C ZINC000193319980 645266751 /nfs/dbraw/zinc/26/67/51/645266751.db2.gz NOWBRQPUBADPHU-STQMWFEESA-N 0 0 379.507 2.248 10 0 GEAERN C[C@@H](NS(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C1CCCC1)C1CCCC1 ZINC000195254173 645366572 /nfs/dbraw/zinc/36/65/72/645366572.db2.gz PSEYABQFDAUUID-GASCZTMLSA-N 0 0 394.603 2.373 10 0 GEAERN C[C@@H](CNC(=O)N1CCc2c(Br)cccc2C1)N1CCOCC1 ZINC000195268809 645367730 /nfs/dbraw/zinc/36/77/30/645367730.db2.gz RMTLALWUSOIJCH-ZDUSSCGKSA-N 0 0 382.302 2.238 10 0 GEAERN Cc1csc([C@H]2CN(Cc3cccc(S(=O)(=O)N(C)C)c3)CCO2)n1 ZINC000195393828 645375622 /nfs/dbraw/zinc/37/56/22/645375622.db2.gz JFQLXPJQMGFQFA-MRXNPFEDSA-N 0 0 381.523 2.275 10 0 GEAERN Cc1nn(CCCNC(=O)c2nn3c(c2C)OCCC3)c(C)c1Br ZINC000223758556 645387722 /nfs/dbraw/zinc/38/77/22/645387722.db2.gz OPFCOGPSXDRXRR-UHFFFAOYSA-N 0 0 396.289 2.370 10 0 GEAERN C[C@@H](C(=O)Nc1ccccc1Br)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247594944 645514842 /nfs/dbraw/zinc/51/48/42/645514842.db2.gz KDNKAFIOZMMXMY-UONOGXRCSA-N 0 0 393.285 2.374 10 0 GEAERN CCC[C@H](CNC(=O)CN1C[C@@H](O)C[C@@H]1CO)c1ccc(Cl)cc1Cl ZINC000248387955 645523501 /nfs/dbraw/zinc/52/35/01/645523501.db2.gz CMPUBZOZPBQYBM-YUELXQCFSA-N 0 0 389.323 2.421 10 0 GEAERN CC[C@H]1CN(C(=O)NCc2sccc2Br)CC[N@@H+]1C[C@H](C)O ZINC000248432188 645525977 /nfs/dbraw/zinc/52/59/77/645525977.db2.gz CAJHFAIFEJCQTO-RYUDHWBXSA-N 0 0 390.347 2.497 10 0 GEAERN O=C(N[C@H]1CCC(=O)NC1=O)[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000248493056 645529908 /nfs/dbraw/zinc/52/99/08/645529908.db2.gz JSGSUZIGKKMMCW-OSAQELSMSA-N 0 0 385.247 2.383 10 0 GEAERN C[C@H]1CN(Cc2nc3cc(Br)ccc3[nH]2)C[C@H]1N1CCOCC1 ZINC000248539826 645530681 /nfs/dbraw/zinc/53/06/81/645530681.db2.gz AZUHVCMWIZVHNA-BLLLJJGKSA-N 0 0 379.302 2.478 10 0 GEAERN C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)[C@H]1CCCO[C@H]1C ZINC000249040161 645544921 /nfs/dbraw/zinc/54/49/21/645544921.db2.gz ZASUQGAUBVAHEK-MJVIPROJSA-N 0 0 385.258 2.179 10 0 GEAERN COC(=O)[C@H]1CN(S(=O)(=O)c2cc(C)c(Br)s2)C[C@H]1C ZINC000250962032 645564651 /nfs/dbraw/zinc/56/46/51/645564651.db2.gz KQGDMOUZTLWOPU-BDAKNGLRSA-N 0 0 382.301 2.249 10 0 GEAERN C[C@H]1CN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)C[C@H]1N1CCOCC1 ZINC000252657486 645567044 /nfs/dbraw/zinc/56/70/44/645567044.db2.gz ZXXVDDDHQMNICI-BLLLJJGKSA-N 0 0 393.336 2.476 10 0 GEAERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)/C=C\c2ccc(Br)cc2)C1 ZINC000255223579 645577911 /nfs/dbraw/zinc/57/79/11/645577911.db2.gz OVGCXWVKRFJCNB-WKTRQSJXSA-N 0 0 387.299 2.350 10 0 GEAERN CCNS(=O)(=O)c1ccc(CNS(=O)(=O)/C=C\c2ccccc2)cc1 ZINC000255556069 645582714 /nfs/dbraw/zinc/58/27/14/645582714.db2.gz MRGLCNZZGIPOHS-SEYXRHQNSA-N 0 0 380.491 2.075 10 0 GEAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(S(=O)(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000262498328 645633607 /nfs/dbraw/zinc/63/36/07/645633607.db2.gz HNRLYWHHAQYBJP-ZDUSSCGKSA-N 0 0 378.853 2.039 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2cccnc2SC(F)(F)F)C1 ZINC000262697691 645641837 /nfs/dbraw/zinc/64/18/37/645641837.db2.gz GXIBOAGOOWPNTR-UHFFFAOYSA-N 0 0 377.388 2.361 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)COc2ccc(Cl)cc2Cl)C1 ZINC000262722824 645642216 /nfs/dbraw/zinc/64/22/16/645642216.db2.gz QREWWYKASCZDQM-UHFFFAOYSA-N 0 0 375.252 2.426 10 0 GEAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)CCc2ccc(Cl)c(Cl)c2)CCO1 ZINC000262731736 645642941 /nfs/dbraw/zinc/64/29/41/645642941.db2.gz BALDFBFQIGGVDY-CYBMUJFWSA-N 0 0 389.279 2.170 10 0 GEAERN C[C@H](C(=O)N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000262884373 645647592 /nfs/dbraw/zinc/64/75/92/645647592.db2.gz FZKSELYPLIVMAG-WCQYABFASA-N 0 0 389.279 2.341 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000263407009 645663929 /nfs/dbraw/zinc/66/39/29/645663929.db2.gz HZIXBGKJXMODMC-PIMMBPRGSA-N 0 0 375.252 2.081 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NCc2cc3c(c(Br)c2)OCO3)C1 ZINC000263457150 645665392 /nfs/dbraw/zinc/66/53/92/645665392.db2.gz AZWGICBSVXPKIS-UHFFFAOYSA-N 0 0 385.258 2.205 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2scc(C)c2Br)C1 ZINC000263478939 645666240 /nfs/dbraw/zinc/66/62/40/645666240.db2.gz ZZUIVOKWDDNIRE-UHFFFAOYSA-N 0 0 375.288 2.486 10 0 GEAERN C[C@H](CN1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1)c1cccc(Br)c1 ZINC000263533105 645667738 /nfs/dbraw/zinc/66/77/38/645667738.db2.gz XQUGMBDIMJTAMU-CJNGLKHVSA-N 0 0 385.302 2.270 10 0 GEAERN C[C@H](NS(=O)(=O)c1ccc(Br)cc1Cl)c1cn(C)nn1 ZINC000720524130 651476370 /nfs/dbraw/zinc/47/63/70/651476370.db2.gz ONIADCXWUKBENB-ZETCQYMHSA-N 0 0 379.667 2.271 10 0 GEAERN CO[C@H]1CS(=O)(=O)C[C@H]1Nc1ncc(Br)c2ccsc21 ZINC000664273813 652525188 /nfs/dbraw/zinc/52/51/88/652525188.db2.gz USKSPQKJVAZSAL-ZJUUUORDSA-N 0 0 377.285 2.283 10 0 GEAERN Cc1cc(I)ccc1NC(=O)CN1CC[C@@H](O)C[C@H]1C ZINC000602931375 653215906 /nfs/dbraw/zinc/21/59/06/653215906.db2.gz SZVJUNMCDSBGOA-DGCLKSJQSA-N 0 0 388.249 2.383 10 0 GEAERN O=C(c1scc(Br)c1Br)N1CCOC[C@H]1CO ZINC000705448074 653321229 /nfs/dbraw/zinc/32/12/29/653321229.db2.gz PDPUDHNCFJWWPV-ZCFIWIBFSA-N 0 0 385.077 2.106 10 0 GEAERN CC(=O)[C@@H]([C@H](c1ccc(Br)cc1)N1CCOCC1)N1CCOCC1 ZINC000019364998 210244839 /nfs/dbraw/zinc/24/48/39/210244839.db2.gz RGIWWANGNSOXSZ-ROUUACIJSA-N 0 0 397.313 2.112 10 0 GEAERN CC(=O)[C@H]([C@H](c1ccc(Br)cc1)N1CCOCC1)N1CCOCC1 ZINC000019365000 210243697 /nfs/dbraw/zinc/24/36/97/210243697.db2.gz RGIWWANGNSOXSZ-MSOLQXFVSA-N 0 0 397.313 2.112 10 0 GEAERN CC(=O)[C@H]([C@@H](c1ccc(Br)cc1)N1CCOCC1)N1CCOCC1 ZINC000019364997 210243533 /nfs/dbraw/zinc/24/35/33/210243533.db2.gz RGIWWANGNSOXSZ-QZTJIDSGSA-N 0 0 397.313 2.112 10 0 GEAERN CCCN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)C[C@@H](C)S3)CC1 ZINC000015730452 210166026 /nfs/dbraw/zinc/16/60/26/210166026.db2.gz AAKZUZYXTDLXQU-CYBMUJFWSA-N 0 0 383.539 2.226 10 0 GEAERN CN1C(=O)C[C@@](CC(=O)N2CCOCC2)(c2ccc(-c3ccccc3)cc2)C1=O ZINC000015004180 210142995 /nfs/dbraw/zinc/14/29/95/210142995.db2.gz BULDBNMTEXMPFE-HSZRJFAPSA-N 0 0 392.455 2.229 10 0 GEAERN O=C(c1ccccc1)N1CC(=O)N(Cc2cccnc2)C[C@@H](OCC2CC2)C1 ZINC000014732047 210124582 /nfs/dbraw/zinc/12/45/82/210124582.db2.gz ADLFOZQFAWWDNS-HXUWFJFHSA-N 0 0 379.460 2.361 10 0 GEAERN CCCN1CC(=O)N(CCc2ccccc2)C[C@@H](OCC(=O)N(CC)CC)C1 ZINC000014532997 210120214 /nfs/dbraw/zinc/12/02/14/210120214.db2.gz JSACFMRARYNPGQ-FQEVSTJZSA-N 0 0 389.540 2.037 10 0 GEAERN COc1cccc(OCc2nc(C(=O)NCc3cn4c(n3)SCC4)co2)c1 ZINC000012317625 209940071 /nfs/dbraw/zinc/94/00/71/209940071.db2.gz ACAPTNMBKVWALL-UHFFFAOYSA-N 0 0 386.433 2.494 10 0 GEAERN O=C(c1n[nH]c(=O)c2ccccc21)N1CCC[C@@H](Nc2ccc3c(c2)OCO3)C1 ZINC000011665370 209879277 /nfs/dbraw/zinc/87/92/77/209879277.db2.gz SKMHBCKOVVOMDA-CQSZACIVSA-N 0 0 392.415 2.369 10 0 GEAERN Cc1nnc([C@H]2CN(S(=O)(=O)Cc3cc(Cl)cc(Cl)c3)CCO2)[nH]1 ZINC000151575381 531511199 /nfs/dbraw/zinc/51/11/99/531511199.db2.gz JATBJVNQZPRIPN-CYBMUJFWSA-N 0 0 391.280 2.323 10 0 GEAERN CS(=O)(=O)Nc1cc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)ccc1Cl ZINC000151426472 531500781 /nfs/dbraw/zinc/50/07/81/531500781.db2.gz IDNVVIQNHYFRNG-CXAGYDPISA-N 0 0 386.901 2.479 10 0 GEAERN COC(=O)[C@@H]1CCCN(C(=O)Cc2cccc(I)c2)C1 ZINC000152721869 531567957 /nfs/dbraw/zinc/56/79/57/531567957.db2.gz BOOVCVKMDJICCI-GFCCVEGCSA-N 0 0 387.217 2.245 10 0 GEAERN C[C@@H](NC(=O)Cn1ccc(C(F)(F)F)n1)c1ccc(S(C)(=O)=O)cc1 ZINC000016109165 531569488 /nfs/dbraw/zinc/56/94/88/531569488.db2.gz RNLLEXYAYGZDCF-SNVBAGLBSA-N 0 0 375.372 2.183 10 0 GEAERN Cc1ccc(Br)c(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000153962774 531614829 /nfs/dbraw/zinc/61/48/29/531614829.db2.gz BTTJMPHMKQXKTH-GFCCVEGCSA-N 0 0 392.257 2.151 10 0 GEAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)COc1ccc(Br)cc1 ZINC000154956843 531646136 /nfs/dbraw/zinc/64/61/36/531646136.db2.gz GHDOBGAGDNEKCE-ZDUSSCGKSA-N 0 0 395.257 2.217 10 0 GEAERN CN1CCO[C@@H](CNC(=O)NCC2(c3ccccc3Br)CC2)C1 ZINC000154849213 531638138 /nfs/dbraw/zinc/63/81/38/531638138.db2.gz MOSHPPZTHRETOW-ZDUSSCGKSA-N 0 0 382.302 2.111 10 0 GEAERN Cc1cccc(C(=O)NC[C@H](C)N2CCOCC2)c1I ZINC000032650282 531653306 /nfs/dbraw/zinc/65/33/06/531653306.db2.gz RXTKBVRKHVMECS-LBPRGKRZSA-N 0 0 388.249 2.050 10 0 GEAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)COc1cccc(Br)c1 ZINC000155413941 531683117 /nfs/dbraw/zinc/68/31/17/531683117.db2.gz YDRZBSKDBDDWAN-ZDUSSCGKSA-N 0 0 395.257 2.217 10 0 GEAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1ccccc1Br ZINC000155450446 531684602 /nfs/dbraw/zinc/68/46/02/531684602.db2.gz LVIHITQEMUWCEM-ZDUSSCGKSA-N 0 0 379.258 2.381 10 0 GEAERN CS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCC[C@@H]2O)ccc1Br ZINC000155840292 531700160 /nfs/dbraw/zinc/70/01/60/531700160.db2.gz VAHOPBGREPYJSJ-AAEUAGOBSA-N 0 0 390.299 2.134 10 0 GEAERN Cn1cc(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc(Br)c1=O ZINC000156288408 531727055 /nfs/dbraw/zinc/72/70/55/531727055.db2.gz YEMJJFIEMJXDSE-MEDUHNTESA-N 0 0 384.274 2.307 10 0 GEAERN C[C@H](NC(=O)Nc1cc(Br)c(=O)n(C)c1)C(=O)N1CCCC[C@H]1C ZINC000156205080 531720886 /nfs/dbraw/zinc/72/08/86/531720886.db2.gz ZIAQCKHHUCERFG-MNOVXSKESA-N 0 0 399.289 2.059 10 0 GEAERN C[C@H](Cc1ccc(Br)cc1)NC(=O)NC[C@@H](C)N1CCOCC1 ZINC000049130818 531734398 /nfs/dbraw/zinc/73/43/98/531734398.db2.gz ALDAZBLRZAUBFQ-ZIAGYGMSSA-N 0 0 384.318 2.400 10 0 GEAERN COC(=O)[C@@H]1CCCN(C(=O)NCCOc2cccc(Br)c2)C1 ZINC000157332299 531739928 /nfs/dbraw/zinc/73/99/28/531739928.db2.gz UVERBJSXEJVSNN-GFCCVEGCSA-N 0 0 385.258 2.423 10 0 GEAERN CCc1nnc([C@@H]2CN(C(=O)Cc3ccc(Br)c(F)c3)CCO2)[nH]1 ZINC000157591491 531746714 /nfs/dbraw/zinc/74/67/14/531746714.db2.gz XBEVXJWMSHGWFC-ZDUSSCGKSA-N 0 0 397.248 2.411 10 0 GEAERN C[C@@H](NC(=O)N1CCCN(S(C)(=O)=O)CC1)c1ccc(F)c(Cl)c1 ZINC000056942369 531814996 /nfs/dbraw/zinc/81/49/96/531814996.db2.gz FMUZWQDZDKFTRS-LLVKDONJSA-N 0 0 377.869 2.217 10 0 GEAERN C[C@@H](CNC(=O)N(C)Cc1cc(Br)ccc1F)N1CCOCC1 ZINC000057612327 531819983 /nfs/dbraw/zinc/81/99/83/531819983.db2.gz WSPRMIGNLINLPF-LBPRGKRZSA-N 0 0 388.281 2.450 10 0 GEAERN C[C@H](N[C@H](C(N)=O)c1cccc(Br)c1)c1nnc2n1CCCC2 ZINC000162182687 531836717 /nfs/dbraw/zinc/83/67/17/531836717.db2.gz BSKIAQKRYLTAPC-HZMBPMFUSA-N 0 0 378.274 2.254 10 0 GEAERN C[C@@H](N[C@H](C(N)=O)c1cccc(Br)c1)c1nnc2n1CCCC2 ZINC000162182813 531837953 /nfs/dbraw/zinc/83/79/53/531837953.db2.gz BSKIAQKRYLTAPC-YGRLFVJLSA-N 0 0 378.274 2.254 10 0 GEAERN Cn1cc([C@H]2CCCN2C(=O)c2cncc(I)c2)cn1 ZINC000163284707 531855556 /nfs/dbraw/zinc/85/55/56/531855556.db2.gz YUSDOVILMLQUSU-CYBMUJFWSA-N 0 0 382.205 2.397 10 0 GEAERN CN(C)c1ccc(Br)c(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2O)c1 ZINC000163569212 531860773 /nfs/dbraw/zinc/86/07/73/531860773.db2.gz HJXVKYLFZWQZFM-FZMZJTMJSA-N 0 0 391.331 2.345 10 0 GEAERN O=C(Nc1cc(Cl)ccc1Br)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000163829134 531865646 /nfs/dbraw/zinc/86/56/46/531865646.db2.gz TYSDASGAYZBMRI-SNVBAGLBSA-N 0 0 398.648 2.284 10 0 GEAERN Cn1cc([C@H]2CCCN2C(=O)C(=O)Nc2ccccc2Br)cn1 ZINC000171397002 531906001 /nfs/dbraw/zinc/90/60/01/531906001.db2.gz OVRZVTUQBAGPKD-CQSZACIVSA-N 0 0 377.242 2.485 10 0 GEAERN CC(C)n1ccnc1CS(=O)(=O)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000171674684 531910121 /nfs/dbraw/zinc/91/01/21/531910121.db2.gz JBOUBIBDRIXKSL-UHFFFAOYSA-N 0 0 380.857 2.240 10 0 GEAERN C[C@@H]1CN(S(=O)(=O)c2ccc(I)cc2)CCS1 ZINC000171712113 531912017 /nfs/dbraw/zinc/91/20/17/531912017.db2.gz PZBDXHVYXQCEQA-SECBINFHSA-N 0 0 383.276 2.417 10 0 GEAERN O=C(c1cnn2cc(Br)cnc12)N1CCO[C@H](c2nccs2)C1 ZINC000094128154 531931125 /nfs/dbraw/zinc/93/11/25/531931125.db2.gz MJOOECBHMOTEFE-NSHDSACASA-N 0 0 394.254 2.162 10 0 GEAERN Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000172076805 531932845 /nfs/dbraw/zinc/93/28/45/531932845.db2.gz DRNULHQOOQCLBP-CYBMUJFWSA-N 0 0 385.287 2.375 10 0 GEAERN CC(C)c1nnc2n1C[C@H](NC(=O)c1cc(I)c[nH]1)CC2 ZINC000172208835 531940076 /nfs/dbraw/zinc/94/00/76/531940076.db2.gz JLSALWUFLIEBSE-SNVBAGLBSA-N 0 0 399.236 2.079 10 0 GEAERN CN1CCO[C@@H](CNC(=O)c2cc(Br)sc2Br)C1 ZINC000116739788 531960458 /nfs/dbraw/zinc/96/04/58/531960458.db2.gz IPKOVSSXZJOWJI-ZETCQYMHSA-N 0 0 398.120 2.334 10 0 GEAERN CC(C)c1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(Cl)nc1Cl)CC2 ZINC000172605370 531961009 /nfs/dbraw/zinc/96/10/09/531961009.db2.gz CLKGCPZNHKBFPZ-VIFPVBQESA-N 0 0 390.296 2.397 10 0 GEAERN COc1ccc(CCC(=O)N2CC[C@H](N3CCOCC3)C2)cc1Br ZINC000172753664 531966794 /nfs/dbraw/zinc/96/67/94/531966794.db2.gz TXAZUAKLVMGJRO-HNNXBMFYSA-N 0 0 397.313 2.323 10 0 GEAERN C[C@@H](COCc1ccccc1)NC(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC000172976557 531976869 /nfs/dbraw/zinc/97/68/69/531976869.db2.gz HQFODUXBGJQQNR-KBPBESRZSA-N 0 0 382.507 2.136 10 0 GEAERN Cc1nnc([C@H]2CN([C@@H](C)C(=O)Nc3ccc(Br)cc3)CCO2)[nH]1 ZINC000173015028 531980752 /nfs/dbraw/zinc/98/07/52/531980752.db2.gz YWFFVHCMEQJKOU-IINYFYTJSA-N 0 0 394.273 2.276 10 0 GEAERN Cc1nc(-c2ccc(S(=O)(=O)N[C@H]3CCc4ncnn4C3)s2)cs1 ZINC000120589423 531984874 /nfs/dbraw/zinc/98/48/74/531984874.db2.gz XTPJOWYMXGZCGA-JTQLQIEISA-N 0 0 381.508 2.065 10 0 GEAERN Cc1csc([C@@H]2CCCN(C(=O)CNS(=O)(=O)c3cccs3)C2)n1 ZINC000173066685 531985160 /nfs/dbraw/zinc/98/51/60/531985160.db2.gz KKSALGADQUUYTI-GFCCVEGCSA-N 0 0 385.536 2.198 10 0 GEAERN C[C@H]1COC[C@H](C)N1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000120858545 531997694 /nfs/dbraw/zinc/99/76/94/531997694.db2.gz ZKUBVNHMOXOLKY-STQMWFEESA-N 0 0 387.311 2.146 10 0 GEAERN O=C([C@@H]1CNC(=O)C1)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000173324860 532004664 /nfs/dbraw/zinc/00/46/64/532004664.db2.gz OIODTCYOBCQYRK-WCQYABFASA-N 0 0 384.217 2.091 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H](OC)c1cccc(Cl)c1 ZINC000173545720 532018447 /nfs/dbraw/zinc/01/84/47/532018447.db2.gz ZZKIGHVVUBYOFM-HOTGVXAUSA-N 0 0 388.917 2.348 10 0 GEAERN Cc1csc([C@@H]2CCCN(C(=O)c3cc(S(N)(=O)=O)ccc3C)C2)n1 ZINC000173588713 532021924 /nfs/dbraw/zinc/02/19/24/532021924.db2.gz TXNOWYHMSBZROY-CYBMUJFWSA-N 0 0 379.507 2.427 10 0 GEAERN O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CC[C@H](N2CCOCC2)C1 ZINC000173645829 532024058 /nfs/dbraw/zinc/02/40/58/532024058.db2.gz BZXQKIBABWGVQE-LBPRGKRZSA-N 0 0 398.834 2.454 10 0 GEAERN COCCN1CCN(C(=O)Cc2cc(Br)ccc2OC)C[C@@H]1C ZINC000173805641 532033547 /nfs/dbraw/zinc/03/35/47/532033547.db2.gz PTFMIXPHQOQGLL-ZDUSSCGKSA-N 0 0 385.302 2.179 10 0 GEAERN C[C@H]1CN(C(=O)Cc2ccc(F)c(Br)c2)C[C@@H]1N1CCOCC1 ZINC000173813213 532035506 /nfs/dbraw/zinc/03/55/06/532035506.db2.gz HHUUECFHQCBZOG-LRDDRELGSA-N 0 0 385.277 2.310 10 0 GEAERN CC(C)c1n[nH]c(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1Br ZINC000173831153 532036071 /nfs/dbraw/zinc/03/60/71/532036071.db2.gz ZFUYMWXZGUAIBP-VXGBXAGGSA-N 0 0 385.306 2.088 10 0 GEAERN C[C@H](N[C@@H](C)c1ccccc1Br)C(=O)N(C)CC(=O)NC1CC1 ZINC000173807306 532036120 /nfs/dbraw/zinc/03/61/20/532036120.db2.gz LBKXYQNLRLFOEC-RYUDHWBXSA-N 0 0 382.302 2.225 10 0 GEAERN O=S(=O)(CCN1CC[C@H](N2CCOCC2)C1)c1cc(Cl)ccc1Cl ZINC000173903962 532042599 /nfs/dbraw/zinc/04/25/99/532042599.db2.gz DDSHXOASFLQSDG-AWEZNQCLSA-N 0 0 393.336 2.174 10 0 GEAERN CC(C)c1csc([C@@H]2CCCN(C(=O)CCN3CCCS3(=O)=O)C2)n1 ZINC000173967462 532043516 /nfs/dbraw/zinc/04/35/16/532043516.db2.gz UYYGNYLCIDJZAA-CQSZACIVSA-N 0 0 385.555 2.398 10 0 GEAERN C[C@H](NC(=O)N1CCS(=O)(=O)[C@@H](C)C1)c1ccccc1Br ZINC000121784979 532046555 /nfs/dbraw/zinc/04/65/55/532046555.db2.gz AYYMPZAMZLIRAO-QWRGUYRKSA-N 0 0 375.288 2.339 10 0 GEAERN COc1ccc(CN2CCO[C@@H](c3nnc(C)[nH]3)C2)c(Br)c1OC ZINC000174099903 532048384 /nfs/dbraw/zinc/04/83/84/532048384.db2.gz IWANJNHXQCKUMF-CYBMUJFWSA-N 0 0 397.273 2.466 10 0 GEAERN O=C(NCCOc1cccc(Br)c1)N1CCC[C@@H](n2cncn2)C1 ZINC000174220658 532057318 /nfs/dbraw/zinc/05/73/18/532057318.db2.gz GOBQQESVASOWKS-CQSZACIVSA-N 0 0 394.273 2.466 10 0 GEAERN O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCC(Nc2cccnn2)CC1 ZINC000122208901 532060744 /nfs/dbraw/zinc/06/07/44/532060744.db2.gz VLQNMBKYEJTVIG-UHFFFAOYSA-N 0 0 388.280 2.444 10 0 GEAERN C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000122610146 532076696 /nfs/dbraw/zinc/07/66/96/532076696.db2.gz COTQWNIFNOIJSB-WCQYABFASA-N 0 0 393.336 2.283 10 0 GEAERN COc1cc(NC(=O)N2CC[C@@H](N3CCOCC3)C2)ccc1Br ZINC000175021048 532086344 /nfs/dbraw/zinc/08/63/44/532086344.db2.gz LVNJZRIQPQMCHY-CYBMUJFWSA-N 0 0 384.274 2.396 10 0 GEAERN Cc1cc(N2CCC[C@@H](NC(=O)c3cc(Cl)c(Cl)n3C)C2=O)n(C)n1 ZINC000174996478 532085735 /nfs/dbraw/zinc/08/57/35/532085735.db2.gz RJPCITNBTISZCO-LLVKDONJSA-N 0 0 384.267 2.299 10 0 GEAERN Cc1cc(N2CCC[C@@H](NC(=O)c3ccccc3Br)C2=O)n(C)n1 ZINC000175012599 532086699 /nfs/dbraw/zinc/08/66/99/532086699.db2.gz LGLTVDMPHBNGAA-CQSZACIVSA-N 0 0 391.269 2.416 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)NCc3sccc3Br)CCO2)[nH]1 ZINC000175466510 532103784 /nfs/dbraw/zinc/10/37/84/532103784.db2.gz RWMOOODYDNGGAP-SNVBAGLBSA-N 0 0 386.275 2.220 10 0 GEAERN C[C@@H](NC(=O)C(=O)Nc1cnn(-c2ncccn2)c1)c1ccc(Cl)s1 ZINC000123693643 532104702 /nfs/dbraw/zinc/10/47/02/532104702.db2.gz JTSHNRSCJLCQOG-SECBINFHSA-N 0 0 376.829 2.193 10 0 GEAERN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000175707455 532111862 /nfs/dbraw/zinc/11/18/62/532111862.db2.gz YUWJHVXXIARISD-JOYOIKCWSA-N 0 0 382.251 2.355 10 0 GEAERN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N[C@H]1CCCn2ncnc21 ZINC000175707515 532112265 /nfs/dbraw/zinc/11/22/65/532112265.db2.gz YUWJHVXXIARISD-SKDRFNHKSA-N 0 0 382.251 2.355 10 0 GEAERN CC[C@H]1CN(S(=O)(=O)Cc2cc(Cl)ccc2F)CCN1CCOC ZINC000124170433 532116017 /nfs/dbraw/zinc/11/60/17/532116017.db2.gz WZUMRZAVCRLHNC-HNNXBMFYSA-N 0 0 378.897 2.352 10 0 GEAERN O=C(CCN1CCO[C@@H](Cn2cccn2)C1)Nc1cccc(Br)c1 ZINC000124639584 532126137 /nfs/dbraw/zinc/12/61/37/532126137.db2.gz VDBMWUINGFDDOX-MRXNPFEDSA-N 0 0 393.285 2.375 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(I)ccc1O ZINC000176284746 532132303 /nfs/dbraw/zinc/13/23/03/532132303.db2.gz CGPXGWCNKPVZRC-NSHDSACASA-N 0 0 398.204 2.162 10 0 GEAERN O=C(c1cccc(I)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127548781 532154762 /nfs/dbraw/zinc/15/47/62/532154762.db2.gz MHEUCWCTYHADOJ-GFCCVEGCSA-N 0 0 396.232 2.435 10 0 GEAERN CCn1ccnc1CS(=O)(=O)CC(=O)Nc1ccc(Br)cc1 ZINC000176907006 532155186 /nfs/dbraw/zinc/15/51/86/532155186.db2.gz PLINLYITRVHSRU-UHFFFAOYSA-N 0 0 386.271 2.219 10 0 GEAERN C[C@H]1CN([C@@H](CNC(=O)c2cc(C(N)=O)cs2)c2cccs2)CCO1 ZINC000176587001 532142704 /nfs/dbraw/zinc/14/27/04/532142704.db2.gz KQLWNGLVDSGKAF-AAEUAGOBSA-N 0 0 379.507 2.100 10 0 GEAERN O=C(NCc1ccc(O)c(Br)c1)N1CCC[C@H](n2cncn2)C1 ZINC000126169941 532146521 /nfs/dbraw/zinc/14/65/21/532146521.db2.gz RJEUUKIKPKUGNT-LBPRGKRZSA-N 0 0 380.246 2.293 10 0 GEAERN O=S(=O)(/C=C/c1ccc(Br)cc1)N[C@@H]1CCCn2ncnc21 ZINC000176745016 532148209 /nfs/dbraw/zinc/14/82/09/532148209.db2.gz NKKMHWMTCANHNO-BUUCAEBMSA-N 0 0 383.271 2.466 10 0 GEAERN Cc1nccn1C[C@H]1CCCN1C(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000177179483 532163495 /nfs/dbraw/zinc/16/34/95/532163495.db2.gz JJDKWXBNDSEBNW-OAHLLOKOSA-N 0 0 381.885 2.310 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(Br)cnc1N(C)C ZINC000177734057 532181438 /nfs/dbraw/zinc/18/14/38/532181438.db2.gz MHAKLSVKSNWMQC-GFCCVEGCSA-N 0 0 379.262 2.075 10 0 GEAERN CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)CCN1C[C@@H](C)O ZINC000177614387 532177235 /nfs/dbraw/zinc/17/72/35/532177235.db2.gz NSNXTSXTSNEZBX-YPMHNXCESA-N 0 0 388.295 2.236 10 0 GEAERN C[C@H](NC(=O)C(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1)c1cccs1 ZINC000177617218 532177458 /nfs/dbraw/zinc/17/74/58/532177458.db2.gz IMXMYQKZOJGOEF-JTQLQIEISA-N 0 0 384.454 2.248 10 0 GEAERN CC(C)CN1CCC[C@@H]1CNc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O ZINC000131475208 532198043 /nfs/dbraw/zinc/19/80/43/532198043.db2.gz IBGHVJSAKOEQLA-CQSZACIVSA-N 0 0 388.555 2.026 10 0 GEAERN Cc1ccc([C@@H](CNC(=O)NCCc2nccs2)N2CCOCC2)s1 ZINC000178621447 532206860 /nfs/dbraw/zinc/20/68/60/532206860.db2.gz UYMODUFYSBGYMZ-CQSZACIVSA-N 0 0 380.539 2.428 10 0 GEAERN CCOc1c(Br)cc(C(=O)N[C@@H](C(=O)NC)C(C)C)cc1OC ZINC000178680549 532209285 /nfs/dbraw/zinc/20/92/85/532209285.db2.gz OKRAHUQEAZNWNE-CYBMUJFWSA-N 0 0 387.274 2.357 10 0 GEAERN CNC(=O)[C@H](NC(=O)N[C@H]1CCN(c2ccccc2Br)C1)C(C)C ZINC000178419059 532201276 /nfs/dbraw/zinc/20/12/76/532201276.db2.gz TUISMRQIRKHMLC-SWLSCSKDSA-N 0 0 397.317 2.098 10 0 GEAERN Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)c3c(F)cccc3Cl)CCO2)n1 ZINC000131803479 532204662 /nfs/dbraw/zinc/20/46/62/532204662.db2.gz MSYQGMHMQSFABN-CYBMUJFWSA-N 0 0 387.864 2.382 10 0 GEAERN O=C(c1cncc(I)c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000133382124 532233527 /nfs/dbraw/zinc/23/35/27/532233527.db2.gz RAMLKXMHJVAHDO-SWLSCSKDSA-N 0 0 386.233 2.453 10 0 GEAERN CCOC(=O)[C@@H](NC[C@@H]1CN(C)CCO1)c1ccc(Br)cc1F ZINC000132992842 532224669 /nfs/dbraw/zinc/22/46/69/532224669.db2.gz PEXCWKYXKBWUPF-DOMZBBRYSA-N 0 0 389.265 2.113 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)N(C)Cc1cc(Br)cn1C)CC2 ZINC000133010368 532224865 /nfs/dbraw/zinc/22/48/65/532224865.db2.gz UUXQROUTNOMKHW-GFCCVEGCSA-N 0 0 395.305 2.098 10 0 GEAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1ccc(C(F)(F)F)cc1Cl ZINC000179852531 532247792 /nfs/dbraw/zinc/24/77/92/532247792.db2.gz OKUHOYWIXXUJCE-LLVKDONJSA-N 0 0 381.782 2.173 10 0 GEAERN Cc1cnn([C@@H]2CCCN(C(=O)c3cnn4cc(Br)cnc34)C2)c1 ZINC000179551887 532236188 /nfs/dbraw/zinc/23/61/88/532236188.db2.gz AADQZNREPVVQTM-CYBMUJFWSA-N 0 0 389.257 2.474 10 0 GEAERN Cc1cc(S(C)(=O)=O)cc(C(=O)N2CCO[C@H](c3nccs3)C2)c1C ZINC000133514663 532236207 /nfs/dbraw/zinc/23/62/07/532236207.db2.gz SSMBDTODCGTUFZ-HNNXBMFYSA-N 0 0 380.491 2.377 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)Cc1cc(Br)ccc1F)CC2 ZINC000133579613 532238529 /nfs/dbraw/zinc/23/85/29/532238529.db2.gz SEFXQDSQJMFCEE-LBPRGKRZSA-N 0 0 381.249 2.416 10 0 GEAERN CCc1nnc(CS(=O)(=O)[C@H](C)C(=O)Nc2cc(Cl)ccc2F)n1C ZINC000180086281 532257288 /nfs/dbraw/zinc/25/72/88/532257288.db2.gz VBSSJRMVRPYGOK-SECBINFHSA-N 0 0 388.852 2.112 10 0 GEAERN C[C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)C[C@@H]1N1CCOCC1 ZINC000180252930 532263688 /nfs/dbraw/zinc/26/36/88/532263688.db2.gz VNWJTTRJGVWTRW-FZMZJTMJSA-N 0 0 386.279 2.111 10 0 GEAERN CC[C@@H](O)CN1CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)CC1 ZINC000180303545 532265979 /nfs/dbraw/zinc/26/59/79/532265979.db2.gz LXTOJKXMXLGMEA-LLVKDONJSA-N 0 0 397.324 2.079 10 0 GEAERN CN(C(=O)c1cccc(Br)n1)[C@H]1CCCN(c2cccnn2)C1 ZINC000180535614 532274706 /nfs/dbraw/zinc/27/47/06/532274706.db2.gz OGXRPSYMEPRIKR-LBPRGKRZSA-N 0 0 376.258 2.375 10 0 GEAERN CCc1noc([C@@H](C)N2CCN(C(=O)c3cccnc3Br)CC2)n1 ZINC000135498739 532274863 /nfs/dbraw/zinc/27/48/63/532274863.db2.gz IBJQRENIGZIJAP-LLVKDONJSA-N 0 0 394.273 2.309 10 0 GEAERN O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CC[C@H](Oc2cccnc2)C1 ZINC000135746739 532279168 /nfs/dbraw/zinc/27/91/68/532279168.db2.gz ZDLJAMOWFZQTSQ-HNNXBMFYSA-N 0 0 380.853 2.189 10 0 GEAERN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)C[C@@H](O)C(F)(F)F ZINC000180812106 532281242 /nfs/dbraw/zinc/28/12/42/532281242.db2.gz UTHHSXXRNYCXGK-OLZOCXBDSA-N 0 0 380.794 2.476 10 0 GEAERN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N(C)C[C@H](O)C(F)(F)F ZINC000180812086 532281291 /nfs/dbraw/zinc/28/12/91/532281291.db2.gz UTHHSXXRNYCXGK-QWHCGFSZSA-N 0 0 380.794 2.476 10 0 GEAERN O=S(=O)(c1ccc(Br)s1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000180980280 532287331 /nfs/dbraw/zinc/28/73/31/532287331.db2.gz YGGPEWJKYFECNO-JTQLQIEISA-N 0 0 391.316 2.203 10 0 GEAERN O=S(=O)(c1ccccc1Br)N1CCC[C@H](Cn2cncn2)C1 ZINC000180970797 532287357 /nfs/dbraw/zinc/28/73/57/532287357.db2.gz XLQUXQKJSALZDZ-GFCCVEGCSA-N 0 0 385.287 2.142 10 0 GEAERN CCn1cc(CN2CCCN(C(=O)c3cccc(Br)n3)CC2)cn1 ZINC000136956575 532287645 /nfs/dbraw/zinc/28/76/45/532287645.db2.gz KEORLGWLVZJZDP-UHFFFAOYSA-N 0 0 392.301 2.409 10 0 GEAERN COC(=O)[C@@H]1C[C@H]1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000136850464 532287754 /nfs/dbraw/zinc/28/77/54/532287754.db2.gz YXCKYHHPVKYHPH-HZPDHXFCSA-N 0 0 395.297 2.339 10 0 GEAERN CCOCCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1C[C@@H]1C ZINC000181105490 532291479 /nfs/dbraw/zinc/29/14/79/532291479.db2.gz NDYHUXQJIDALDU-JQWIXIFHSA-N 0 0 385.258 2.328 10 0 GEAERN CCS(=O)(=O)c1ccc(Br)c(C(=O)N2[C@H](C)COC[C@@H]2C)c1 ZINC000181159717 532292608 /nfs/dbraw/zinc/29/26/08/532292608.db2.gz PJIFAEWOVYTLRS-PHIMTYICSA-N 0 0 390.299 2.492 10 0 GEAERN O=S(=O)(C(Cc1ccccc1O)S(=O)(=O)C(F)(F)F)C(F)(F)F ZINC000143737870 532296640 /nfs/dbraw/zinc/29/66/40/532296640.db2.gz IAJCJYUGUKZUOJ-UHFFFAOYSA-N 0 0 386.291 2.130 10 0 GEAERN CC(C)c1nnc2n1C[C@@H](NC(=O)Nc1nnc(C(F)(F)F)s1)CC2 ZINC000181378964 532296895 /nfs/dbraw/zinc/29/68/95/532296895.db2.gz XSJLMEDMMZHQML-ZETCQYMHSA-N 0 0 375.380 2.408 10 0 GEAERN CC(=O)c1ccc(N2C(=O)[C@@H]3CN(C(=O)c4ccccc4)CCN3C2=O)cc1 ZINC000008295643 291113987 /nfs/dbraw/zinc/11/39/87/291113987.db2.gz WXKUGLMKVBCEJZ-SFHVURJKSA-N 0 0 377.400 2.182 10 0 GEAERN Cc1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C)sc1Br ZINC000149876229 532300510 /nfs/dbraw/zinc/30/05/10/532300510.db2.gz RNGZQKWKGXKBFR-SECBINFHSA-N 0 0 381.317 2.060 10 0 GEAERN C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000181101841 532290980 /nfs/dbraw/zinc/29/09/80/532290980.db2.gz PSBXSOOAKPDRPC-ZWNOBZJWSA-N 0 0 381.226 2.010 10 0 GEAERN C[C@H](NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccc(F)c(Cl)c1 ZINC000183522029 532325600 /nfs/dbraw/zinc/32/56/00/532325600.db2.gz LQRYVKCQMNTAGB-QWRGUYRKSA-N 0 0 377.869 2.215 10 0 GEAERN CC[C@H](O)CN1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000182408353 532312834 /nfs/dbraw/zinc/31/28/34/532312834.db2.gz PUNFIDULHBTPEW-ZDUSSCGKSA-N 0 0 381.325 2.212 10 0 GEAERN Cc1noc([C@@H]2COCCN2Cc2nnc(-c3ccc(Br)o3)o2)n1 ZINC000185067661 532336704 /nfs/dbraw/zinc/33/67/04/532336704.db2.gz ZSZWQQLASPYAJB-VIFPVBQESA-N 0 0 396.201 2.357 10 0 GEAERN CCc1nnc(CS(=O)(=O)Cc2ccn(-c3ccc(Cl)cc3)n2)n1C ZINC000185197784 532337235 /nfs/dbraw/zinc/33/72/35/532337235.db2.gz RNPKYWSJFBGDSM-UHFFFAOYSA-N 0 0 379.873 2.332 10 0 GEAERN COCC(=O)NC1CN(C(=O)c2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000185243026 532337435 /nfs/dbraw/zinc/33/74/35/532337435.db2.gz AGBXXKGDRFDFFK-UHFFFAOYSA-N 0 0 395.175 2.055 10 0 GEAERN O=C(CCN1CC(NC(=O)C2CCC2)C1)Nc1ccc(Br)cc1 ZINC000185934016 532339203 /nfs/dbraw/zinc/33/92/03/532339203.db2.gz JCNCNWDDVNUXKM-UHFFFAOYSA-N 0 0 380.286 2.378 10 0 GEAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)Cc2cc(Cl)ccc2F)n1 ZINC000186348449 532340635 /nfs/dbraw/zinc/34/06/35/532340635.db2.gz ZELKLZCLUVHQMC-ZDUSSCGKSA-N 0 0 375.809 2.074 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nc2cccc(Cl)c2n1C ZINC000186560336 532341165 /nfs/dbraw/zinc/34/11/65/532341165.db2.gz WAMOQGODGYGAJO-ZDUSSCGKSA-N 0 0 384.889 2.369 10 0 GEAERN CC[C@@H](O)CN1CCN(C(=O)NCc2cc(F)cc(Br)c2)CC1 ZINC000184929025 532335963 /nfs/dbraw/zinc/33/59/63/532335963.db2.gz GOZUKBKKAXLMEJ-OAHLLOKOSA-N 0 0 388.281 2.186 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cc(Br)c(C)nc1OC)CC2 ZINC000188163914 532347034 /nfs/dbraw/zinc/34/70/34/532347034.db2.gz MMVMWVSDMFASCF-JTQLQIEISA-N 0 0 394.273 2.060 10 0 GEAERN Cc1cnn(C[C@@H]2CN(C(=O)Nc3cccc(Br)n3)CCO2)c1 ZINC000188585462 532348813 /nfs/dbraw/zinc/34/88/13/532348813.db2.gz NLTKQYYSXWTMBE-LBPRGKRZSA-N 0 0 380.246 2.282 10 0 GEAERN O=C(c1cc(Br)ncc1Cl)N1CCO[C@H](Cn2cccn2)C1 ZINC000188863642 532349788 /nfs/dbraw/zinc/34/97/88/532349788.db2.gz VYCJMNUULXREQN-JTQLQIEISA-N 0 0 385.649 2.235 10 0 GEAERN COc1cc(Br)ccc1CNC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000189254904 532351588 /nfs/dbraw/zinc/35/15/88/532351588.db2.gz GCEMNGUMDZEWRU-SNVBAGLBSA-N 0 0 381.226 2.485 10 0 GEAERN COc1cc(Br)ccc1[C@@H](C)NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000189714233 532353256 /nfs/dbraw/zinc/35/32/56/532353256.db2.gz TVXKNKTUZBXUCG-PWSUYJOCSA-N 0 0 394.273 2.424 10 0 GEAERN COC(=O)c1scc(C)c1S(=O)(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000190074365 532354710 /nfs/dbraw/zinc/35/47/10/532354710.db2.gz KCLAXZOJXOGCGW-ZDUSSCGKSA-N 0 0 383.495 2.374 10 0 GEAERN C[C@H]1CN([C@@H](CNC(=O)NCCOCC(F)F)c2cccs2)CCO1 ZINC000190201184 532355121 /nfs/dbraw/zinc/35/51/21/532355121.db2.gz VOOQVJPHDGETDA-STQMWFEESA-N 0 0 377.457 2.091 10 0 GEAERN COCCN(Cc1sccc1Br)C(=O)[C@@H]1C[C@H]1C(=O)OC ZINC000190189000 532355219 /nfs/dbraw/zinc/35/52/19/532355219.db2.gz BNHJOQPSGHJIOT-NXEZZACHSA-N 0 0 376.272 2.295 10 0 GEAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000190737477 532357759 /nfs/dbraw/zinc/35/77/59/532357759.db2.gz TXIUGWLXPZLKDU-LBPRGKRZSA-N 0 0 383.242 2.168 10 0 GEAERN CCn1cc([C@@H]2CN(CC(=O)Nc3ccc(Br)cn3)CCO2)cn1 ZINC000190753262 532357883 /nfs/dbraw/zinc/35/78/83/532357883.db2.gz NQRNBYHQMZXJAZ-AWEZNQCLSA-N 0 0 394.273 2.073 10 0 GEAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000190850219 532358341 /nfs/dbraw/zinc/35/83/41/532358341.db2.gz YKNGUCUGTNXVOT-SDBXPKJASA-N 0 0 391.212 2.333 10 0 GEAERN C[C@@H](NC(=O)C(=O)Nc1cc(F)cc(F)c1Br)[C@@H]1CCCO1 ZINC000191128969 532359598 /nfs/dbraw/zinc/35/95/98/532359598.db2.gz MSDPJEVQNGKGGW-HQJQHLMTSA-N 0 0 377.185 2.350 10 0 GEAERN C[C@@H]1CN(C(=O)c2cc(Br)ncc2Cl)C[C@H]1N1CCOCC1 ZINC000187596524 532344963 /nfs/dbraw/zinc/34/49/63/532344963.db2.gz VWBYWQPZNJELKR-ZWNOBZJWSA-N 0 0 388.693 2.290 10 0 GEAERN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CCCNC(=O)[C@H]1C ZINC000191494015 532361135 /nfs/dbraw/zinc/36/11/35/532361135.db2.gz XRRGWWVQMIDIPM-GHMZBOCLSA-N 0 0 386.265 2.439 10 0 GEAERN CC(=O)NC1CN(C(=O)COc2ccc3cc(Br)ccc3c2)C1 ZINC000191502203 532361312 /nfs/dbraw/zinc/36/13/12/532361312.db2.gz DNCWMRMXJYYTLE-UHFFFAOYSA-N 0 0 377.238 2.328 10 0 GEAERN CCc1nnc(CN(CC(=O)OC)Cc2cccc(Br)c2)n1C ZINC000191612066 532361672 /nfs/dbraw/zinc/36/16/72/532361672.db2.gz MTXDBWIWGYZXOU-UHFFFAOYSA-N 0 0 381.274 2.315 10 0 GEAERN C[C@H](NC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1)C(=O)N(C)C ZINC000191811712 532368370 /nfs/dbraw/zinc/36/83/70/532368370.db2.gz CXJJNYVMTNPVHL-WFASDCNBSA-N 0 0 382.302 2.179 10 0 GEAERN O=C(Nc1cccc(Cl)c1Br)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000192074960 532384592 /nfs/dbraw/zinc/38/45/92/532384592.db2.gz KLNDGIQKMIDZQT-KOLCDFICSA-N 0 0 375.650 2.461 10 0 GEAERN COC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc(Cl)c1Br ZINC000192154784 532390884 /nfs/dbraw/zinc/39/08/84/532390884.db2.gz VUMMREYLZWUBNI-SNVBAGLBSA-N 0 0 389.633 2.205 10 0 GEAERN C[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1cccs1 ZINC000192758093 532409437 /nfs/dbraw/zinc/40/94/37/532409437.db2.gz HNPDGHXJZFRVIQ-LLVKDONJSA-N 0 0 386.520 2.228 10 0 GEAERN CCCCOC[C@@H](O)Cn1nnc(-c2cc(OC)ccc2Br)n1 ZINC000193375503 532421823 /nfs/dbraw/zinc/42/18/23/532421823.db2.gz UCSNOHKPMDHDLU-NSHDSACASA-N 0 0 385.262 2.289 10 0 GEAERN Cc1noc([C@H]2COCCN2C(=O)[C@H]2Cc3cc(Br)ccc3O2)n1 ZINC000193641883 532428028 /nfs/dbraw/zinc/42/80/28/532428028.db2.gz UHRMSYIGDGICKI-TZMCWYRMSA-N 0 0 394.225 2.044 10 0 GEAERN C[C@@H](NC(=O)CCN1CCCS1(=O)=O)c1ccc(OC(F)(F)F)cc1 ZINC000194169128 532442443 /nfs/dbraw/zinc/44/24/43/532442443.db2.gz STHQMPXXAZTNNQ-LLVKDONJSA-N 0 0 380.388 2.188 10 0 GEAERN CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccc(Cl)cc2)c1 ZINC000194926432 532462609 /nfs/dbraw/zinc/46/26/09/532462609.db2.gz JPYHFFSFFXYXJL-LLVKDONJSA-N 0 0 388.898 2.288 10 0 GEAERN CN(C)S(=O)(=O)c1cc(C(=O)N[C@H]2COc3ccccc32)ccc1Cl ZINC000194880695 532460765 /nfs/dbraw/zinc/46/07/65/532460765.db2.gz WSAQUAWKDXLVJU-AWEZNQCLSA-N 0 0 380.853 2.454 10 0 GEAERN Cn1nccc1C1CCN(CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000195502087 532479622 /nfs/dbraw/zinc/47/96/22/532479622.db2.gz YMKXQHVUELCFOM-UHFFFAOYSA-N 0 0 378.274 2.396 10 0 GEAERN CCn1c(-c2ccc(OC)c(Br)c2)nc2c1c(=O)[nH]c(=O)n2CC ZINC000195512093 532479942 /nfs/dbraw/zinc/47/99/42/532479942.db2.gz GCCBJMFYTZBDNM-UHFFFAOYSA-N 0 0 393.241 2.364 10 0 GEAERN C[C@@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C[C@H]1N1CCOCC1 ZINC000246557345 532541214 /nfs/dbraw/zinc/54/12/14/532541214.db2.gz RIUSUICIYLTQQA-IAQYHMDHSA-N 0 0 379.309 2.335 10 0 GEAERN C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)C[C@H]1N1CCOCC1 ZINC000246560772 532541291 /nfs/dbraw/zinc/54/12/91/532541291.db2.gz RTIUPJLFBBCLGX-DGCLKSJQSA-N 0 0 379.309 2.335 10 0 GEAERN Cc1noc(C)c1S(=O)(=O)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000248369967 532551276 /nfs/dbraw/zinc/55/12/76/532551276.db2.gz WWGXRFLPGOBLKP-FZMZJTMJSA-N 0 0 385.511 2.093 10 0 GEAERN C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1cccc(Br)c1 ZINC000248375061 532551762 /nfs/dbraw/zinc/55/17/62/532551762.db2.gz AILLPLWLBMYUHS-NSHDSACASA-N 0 0 387.237 2.431 10 0 GEAERN CCN1CCC[C@H](NC(=O)N(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)C1 ZINC000249446084 532566436 /nfs/dbraw/zinc/56/64/36/532566436.db2.gz NITGXLAFIUDPKR-ZFWWWQNUSA-N 0 0 385.917 2.294 10 0 GEAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)CCSc2ccccc2Cl)CCO1 ZINC000262874525 532604880 /nfs/dbraw/zinc/60/48/80/532604880.db2.gz DNFJBXTUYPCQLS-ZDUSSCGKSA-N 0 0 386.901 2.066 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CCN(CC(=O)Nc2ccccc2Br)CC1 ZINC000262874377 532605723 /nfs/dbraw/zinc/60/57/23/532605723.db2.gz DJOHWUQDMPGJLK-UHFFFAOYSA-N 0 0 398.301 2.259 10 0 GEAERN O=C([C@@H]1CC(F)(F)CN1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000263031762 532611128 /nfs/dbraw/zinc/61/11/28/532611128.db2.gz SAJOCNWGWRWHQL-QWHCGFSZSA-N 0 0 375.213 2.346 10 0 GEAERN O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)[C@H]1CC(F)(F)CN1 ZINC000263042975 532612780 /nfs/dbraw/zinc/61/27/80/532612780.db2.gz SZILJYLBDOINRB-SMDDNHRTSA-N 0 0 388.256 2.389 10 0 GEAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)Nc2cc(Br)ccn2)C1 ZINC000263087861 532613240 /nfs/dbraw/zinc/61/32/40/532613240.db2.gz SEEGVGDETZOYPI-UHFFFAOYSA-N 0 0 397.273 2.293 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NCc2cc(Br)cc3c2OCC3)C1 ZINC000263514397 532628855 /nfs/dbraw/zinc/62/88/55/532628855.db2.gz OFVHNBNAFAKMEQ-UHFFFAOYSA-N 0 0 383.286 2.411 10 0 GEAERN CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1CC=C(c2cccs2)CC1 ZINC000301280990 532747384 /nfs/dbraw/zinc/74/73/84/532747384.db2.gz KPAQPBACMUVGIJ-UHFFFAOYSA-N 0 0 398.531 2.093 10 0 GEAERN CC[S@](=O)[C@H]1CCC[C@H](Nc2ccc(S(=O)(=O)N3CCCC3)cn2)C1 ZINC000301558916 532755048 /nfs/dbraw/zinc/75/50/48/532755048.db2.gz OCQPIUIPOHYFIP-ISQRANHSSA-N 0 0 385.555 2.358 10 0 GEAERN C[C@H](Nc1cnn(C)c(=O)c1Br)c1cn(-c2ccccc2)nn1 ZINC000301658708 532756536 /nfs/dbraw/zinc/75/65/36/532756536.db2.gz LWKLLUCXIGQHJA-JTQLQIEISA-N 0 0 375.230 2.297 10 0 GEAERN CC(C)c1nnc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)s1 ZINC000301715478 532759066 /nfs/dbraw/zinc/75/90/66/532759066.db2.gz GOJCAXNAWMLNNL-UHFFFAOYSA-N 0 0 388.465 2.451 10 0 GEAERN CC(C)(C)c1nnc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)s1 ZINC000301722001 532759129 /nfs/dbraw/zinc/75/91/29/532759129.db2.gz KAPQRIXTDJBILL-UHFFFAOYSA-N 0 0 384.502 2.486 10 0 GEAERN O=c1ccnc2sc(NCc3cc(Br)cc4c3OCC4)nn21 ZINC000302150930 532767592 /nfs/dbraw/zinc/76/75/92/532767592.db2.gz BKEFOPNKWPAHLX-UHFFFAOYSA-N 0 0 379.239 2.461 10 0 GEAERN COc1cc(/C=C/C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC ZINC000001929721 209342451 /nfs/dbraw/zinc/34/24/51/209342451.db2.gz IMZOSGNFQXAAAU-RUDMXATFSA-N 0 0 392.433 2.012 10 0 GEAERN Cc1ccc(C)c(COCCOCn2cc(Br)c(N)nc2=O)c1 ZINC000001861490 209340965 /nfs/dbraw/zinc/34/09/65/209340965.db2.gz LWFBFMVRSUDBMP-UHFFFAOYSA-N 0 0 382.258 2.396 10 0 GEAERN COC(=O)[C@H]1[C@H](C(=O)OC)N(Cc2ccccc2)C(=O)N1Cc1ccccc1 ZINC000001653459 209335998 /nfs/dbraw/zinc/33/59/98/209335998.db2.gz BBTUUSONTSSVJB-QZTJIDSGSA-N 0 0 382.416 2.208 10 0 GEAERN Cc1ccc2c(c1)N(CC(=O)N1CCN(c3ccccc3)CC1)C(=O)[C@H](C)O2 ZINC000001362215 209322966 /nfs/dbraw/zinc/32/29/66/209322966.db2.gz WJOGUSNYFGSJQY-KRWDZBQOSA-N 0 0 379.460 2.458 10 0 GEAERN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(I)cc1 ZINC000005315378 212065485 /nfs/dbraw/zinc/06/54/85/212065485.db2.gz MYWMGFJDXJBRAZ-LBPRGKRZSA-N 0 0 386.189 2.482 10 0 GEAERN COC(=O)[C@@H]1C[C@@H](NC(=O)c2cncs2)CN1Cc1ccccc1Cl ZINC000299795669 212039513 /nfs/dbraw/zinc/03/95/13/212039513.db2.gz NBPKYNLTRSPWBW-OCCSQVGLSA-N 0 0 379.869 2.342 10 0 GEAERN Cc1cc(C(F)(F)F)nn1CCCNC(=O)c1cnc2sccn2c1=O ZINC000028233597 211879699 /nfs/dbraw/zinc/87/96/99/211879699.db2.gz FPXJPLVRBASXSC-UHFFFAOYSA-N 0 0 385.371 2.100 10 0 GEAERN O=C1C[C@H](N2CCN(CCc3ccccn3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000100450277 211385614 /nfs/dbraw/zinc/38/56/14/211385614.db2.gz UXQBNVPQIQWIAU-IBGZPJMESA-N 0 0 398.894 2.227 10 0 GEAERN COc1nc(Cl)nc(I)c1I ZINC000098177840 211379732 /nfs/dbraw/zinc/37/97/32/211379732.db2.gz DGZLLCLAHZXYLX-UHFFFAOYSA-N 0 0 396.353 2.348 10 0 GEAERN Cc1noc([C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)CC23CCOCC3)n1 ZINC000096310295 211333165 /nfs/dbraw/zinc/33/31/65/211333165.db2.gz CJVGWLDPIYYWBK-INIZCTEOSA-N 0 0 377.466 2.271 10 0 GEAERN O=S(=O)([O-])[C@H]1C/[N+](=c2\scc(-c3c(F)cccc3F)s2)CCS1 ZINC000095932635 211283865 /nfs/dbraw/zinc/28/38/65/211283865.db2.gz SBLFMTYRKIYNLC-QRKKIEFCSA-O 0 0 396.507 2.488 10 0 GEAERN Cc1ccoc1C(=O)N1CCN(Cc2nc3sc(C)c(C)c3c(=O)[nH]2)CC1 ZINC000095469729 211246265 /nfs/dbraw/zinc/24/62/65/211246265.db2.gz RCEACOYCFOVBPS-UHFFFAOYSA-N 0 0 386.477 2.461 10 0 GEAERN COCCN1C[C@]2(CCCN(C(=O)Cc3sc(C)nc3C)C2)CCC1=O ZINC000091907845 211211041 /nfs/dbraw/zinc/21/10/41/211211041.db2.gz PABUYMBHCSPRMB-LJQANCHMSA-N 0 0 379.526 2.180 10 0 GEAERN Cc1cnc(S(=O)(=O)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)nc1Cl ZINC000095089658 211219534 /nfs/dbraw/zinc/21/95/34/211219534.db2.gz ZHQWTSLHVAVJRM-NSHDSACASA-N 0 0 375.878 2.469 10 0 GEAERN COCCc1noc(CN2C[C@@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)n1 ZINC000091616940 211199833 /nfs/dbraw/zinc/19/98/33/211199833.db2.gz CWOGDDWFKAROGJ-HXUWFJFHSA-N 0 0 387.436 2.359 10 0 GEAERN [NH3+][C@@H]1CCN(CC(=O)[O-])[C@H](C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000071791632 211063499 /nfs/dbraw/zinc/06/34/99/211063499.db2.gz DDSISWRPJLDURD-VLIAUNLRSA-N 0 0 380.444 2.218 10 0 GEAERN Cc1cccc(-c2c[nH]nc2C2CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC2)c1 ZINC000067446704 211010538 /nfs/dbraw/zinc/01/05/38/211010538.db2.gz YUCGUTYQMILTBY-AWEZNQCLSA-N 0 0 390.509 2.029 10 0 GEAERN COc1ccc(CCC(=O)N2CCN(c3nnc4cccc(C)n43)CC2)cc1 ZINC000065313041 210987014 /nfs/dbraw/zinc/98/70/14/210987014.db2.gz SPRODFSGUFTCNK-UHFFFAOYSA-N 0 0 379.464 2.328 10 0 GEAERN Cc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(=O)N2CC(=O)N[C@@H](C)c1ccccn1 ZINC000065306813 210986385 /nfs/dbraw/zinc/98/63/85/210986385.db2.gz PQSSRCOWKPUOIN-HNAYVOBHSA-N 0 0 392.459 2.219 10 0 GEAERN Cc1noc(C)c1S(=O)(=O)N(C)CCc1noc(-c2ccccc2F)n1 ZINC000064841420 210950388 /nfs/dbraw/zinc/95/03/88/210950388.db2.gz GCOJIBILSUNENL-UHFFFAOYSA-N 0 0 380.401 2.344 10 0 GEAERN O=C(Cn1c(=O)cccc1C(=O)NCc1ccccc1F)NCc1ccccc1 ZINC000064755185 210946398 /nfs/dbraw/zinc/94/63/98/210946398.db2.gz MVSKJGUSDMFLSU-UHFFFAOYSA-N 0 0 393.418 2.234 10 0 GEAERN Cc1ccc(CNC(=O)C[C@@H]2C(=O)NCCN2C2Cc3ccccc3C2)s1 ZINC000019595497 210275320 /nfs/dbraw/zinc/27/53/20/210275320.db2.gz FUKFCGSWOLEILE-LJQANCHMSA-N 0 0 383.517 2.031 10 0 GEAERN Cc1cc(OS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)n(-c2ccccc2)n1 ZINC000011691551 221122146 /nfs/dbraw/zinc/12/21/46/221122146.db2.gz KOKBPQPAYRWYLM-UHFFFAOYSA-N 0 0 385.401 2.393 10 0 GEAERN C[NH+]1CCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000058009205 136154245 /nfs/dbraw/zinc/15/42/45/136154245.db2.gz YEZUGVSVNDZFDS-UHFFFAOYSA-N 0 0 393.440 2.077 10 0 GEAERN CNC(=O)C1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1 ZINC000064873551 136158139 /nfs/dbraw/zinc/15/81/39/136158139.db2.gz JCICKHLFYVGOHA-UHFFFAOYSA-N 0 0 376.460 2.407 10 0 GEAERN CCCn1ncc(N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1=O ZINC000065311341 136163183 /nfs/dbraw/zinc/16/31/83/136163183.db2.gz MWVKETHRKLCCMV-UHFFFAOYSA-N 0 0 398.463 2.280 10 0 GEAERN CCOc1ccccc1C(=O)N1CCN(c2ccc(-n3ccnc3C)nn2)CC1 ZINC000070997808 136165359 /nfs/dbraw/zinc/16/53/59/136165359.db2.gz HWEDZEBJSABRSE-UHFFFAOYSA-N 0 0 392.463 2.332 10 0 GEAERN COc1ccc(Cl)cc1NC(=O)NCc1nccc(N2CCOCC2)n1 ZINC000224171589 136206477 /nfs/dbraw/zinc/20/64/77/136206477.db2.gz GUCUGIGLCQOLNP-UHFFFAOYSA-N 0 0 377.832 2.297 10 0 GEAERN CC(C)(C)CN1CCNC(=O)[C@@H]1CC(=O)NCc1cc(-c2ccccc2)on1 ZINC000012612857 518664001 /nfs/dbraw/zinc/66/40/01/518664001.db2.gz ZSSFPJRNUWRYNB-KRWDZBQOSA-N 0 0 384.480 2.194 10 0 GEAERN COc1cc2[nH]c(=O)n(CCN3CCCc4ccccc43)c(=O)c2cc1OC ZINC000073658092 522986702 /nfs/dbraw/zinc/98/67/02/522986702.db2.gz NHWQHPYOCFPHDT-UHFFFAOYSA-N 0 0 381.432 2.160 10 0 GEAERN O=C([O-])C[NH+]1CCN(c2cc(-c3ccccc3)nc(-c3ccncc3)n2)CC1 ZINC000073685579 527611099 /nfs/dbraw/zinc/61/10/99/527611099.db2.gz PYNZZUCZQFMGTP-UHFFFAOYSA-N 0 0 375.432 2.412 10 0 GEAERN COc1cc(C)c(S(=O)(=O)NCc2nccc(N3CCCC3)n2)cc1C ZINC000224156054 570424638 /nfs/dbraw/zinc/42/46/38/570424638.db2.gz NVSSVBBFCQWWHW-UHFFFAOYSA-N 0 0 376.482 2.181 10 0 GEAERN COc1ccccc1-n1cc(-c2ccn(CC(=O)Nc3ccnn3C)n2)cn1 ZINC000048087923 570655100 /nfs/dbraw/zinc/65/51/00/570655100.db2.gz ATPCKDAQMKTISU-UHFFFAOYSA-N 0 0 377.408 2.117 10 0 GEAERN CCn1cc([C@H]2OCC[C@@H]2NS(=O)(=O)c2c(Cl)nc3ccccn32)cn1 ZINC000275226677 570688676 /nfs/dbraw/zinc/68/86/76/570688676.db2.gz CUCSWGJMCGLERO-GXTWGEPZSA-N 0 0 395.872 2.013 10 0 GEAERN Cc1noc(C)c1S(=O)(=O)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 ZINC000244652032 570694068 /nfs/dbraw/zinc/69/40/68/570694068.db2.gz GYOQXXIHUAVACS-HLLBOEOZSA-N 0 0 378.450 2.017 10 0 GEAERN O=C(c1cc2n(n1)CCN(Cc1ccccc1)C2)N1CC(N2CCCCC2)C1 ZINC000065460672 570769475 /nfs/dbraw/zinc/76/94/75/570769475.db2.gz XRDOZEFRGPTAGV-UHFFFAOYSA-N 0 0 379.508 2.209 10 0 GEAERN C[C@H]1CCCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2cccnc2)CC3)C1 ZINC000583621095 570801039 /nfs/dbraw/zinc/80/10/39/570801039.db2.gz GBCDVSYCXRLUTK-JKSUJKDBSA-N 0 0 381.480 2.143 10 0 GEAERN COC1(c2nc(-c3cnccn3)no2)CCN(C(=O)c2ccc(C)cc2O)CC1 ZINC000583624122 570801904 /nfs/dbraw/zinc/80/19/04/570801904.db2.gz XUNHDWFAVIZITN-UHFFFAOYSA-N 0 0 395.419 2.319 10 0 GEAERN CC(=O)N1CCc2cc(N3C[C@H](C(=O)NCc4ccccc4)CC3=O)ccc21 ZINC000065195270 570843923 /nfs/dbraw/zinc/84/39/23/570843923.db2.gz RKKUZNORUPAAJX-GOSISDBHSA-N 0 0 377.444 2.265 10 0 GEAERN CCS(=O)(=O)Oc1cc(CN(Cc2ccco2)C(=O)COC)ccc1OC ZINC000006765877 570906162 /nfs/dbraw/zinc/90/61/62/570906162.db2.gz PHFNMYACTVDNOT-UHFFFAOYSA-N 0 0 397.449 2.192 10 0 GEAERN CCOc1cc(N2CCO[C@H](CN(Cc3cc(C)[nH]c3C)C(C)=O)C2)ncn1 ZINC000252537155 570991671 /nfs/dbraw/zinc/99/16/71/570991671.db2.gz KLOFNNUEZSVNLP-SFHVURJKSA-N 0 0 387.484 2.074 10 0 GEAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1nc(C2CC2)cs1 ZINC000025562744 642425016 /nfs/dbraw/zinc/42/50/16/642425016.db2.gz WLBWKKFWERWOJR-VIFPVBQESA-N 0 0 376.463 2.086 10 0 GEAERN CC(C)[C@H](C)NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 ZINC000036841536 642511695 /nfs/dbraw/zinc/51/16/95/642511695.db2.gz BRHPYNMBBYSRAW-JTQLQIEISA-N 0 0 377.304 2.474 10 0 GEAERN COc1ccc(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)cc1Br ZINC000045815975 642598526 /nfs/dbraw/zinc/59/85/26/642598526.db2.gz DTOSWHONLVEEPK-GFCCVEGCSA-N 0 0 389.315 2.317 10 0 GEAERN CC(=O)N[C@H]1CCCN(C(=O)c2cccc(C)c2I)C1 ZINC000048607659 642655782 /nfs/dbraw/zinc/65/57/82/642655782.db2.gz KHANEJSYOIFEIQ-LBPRGKRZSA-N 0 0 386.233 2.340 10 0 GEAERN O=C(CN1CCC[C@@H]1CCCO)Nc1ccccc1I ZINC000052761866 642727416 /nfs/dbraw/zinc/72/74/16/642727416.db2.gz BNBOMIKECLXEAL-GFCCVEGCSA-N 0 0 388.249 2.467 10 0 GEAERN CN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)/C=C/c2ccccc2)cc1 ZINC000056073938 642789606 /nfs/dbraw/zinc/78/96/06/642789606.db2.gz MKQVDJYSPLYSON-OUKQBFOZSA-N 0 0 380.491 2.027 10 0 GEAERN CNS(=O)(=O)c1cccc([C@@H](C)NS(=O)(=O)/C=C/c2ccccc2)c1 ZINC000066937146 642954008 /nfs/dbraw/zinc/95/40/08/642954008.db2.gz KKCCMUDTZVFIOH-GCZGRYASSA-N 0 0 380.491 2.246 10 0 GEAERN COC(=O)C[C@H](NC(=O)c1ccc(=O)n(C)c1)c1cccc(Br)c1 ZINC000097057475 643094551 /nfs/dbraw/zinc/09/45/51/643094551.db2.gz JXTROEXYVHOPCU-AWEZNQCLSA-N 0 0 393.237 2.182 10 0 GEAERN C[C@@H](NC(=O)NCCCNC(=O)c1cccc(Br)c1)[C@H]1CCCO1 ZINC000101606659 643112546 /nfs/dbraw/zinc/11/25/46/643112546.db2.gz BRYPLSUXPNAQSZ-IUODEOHRSA-N 0 0 398.301 2.436 10 0 GEAERN COc1ccc(Br)cc1S(=O)(=O)NCCCc1cnn(C)c1 ZINC000102662099 643131880 /nfs/dbraw/zinc/13/18/80/643131880.db2.gz YMOHNQZFBQNKNO-UHFFFAOYSA-N 0 0 388.287 2.102 10 0 GEAERN COC(=O)[C@H](C)CN(C1CC1)S(=O)(=O)c1sccc1Br ZINC000102660541 643131991 /nfs/dbraw/zinc/13/19/91/643131991.db2.gz CIZLXKCQMPYPMC-MRVPVSSYSA-N 0 0 382.301 2.473 10 0 GEAERN CCOC(=O)N1CCN(C(=O)CN[C@@H](C)c2ccccc2Br)CC1 ZINC000102683944 643132667 /nfs/dbraw/zinc/13/26/67/643132667.db2.gz VLIVXMWCXYFGSU-ZDUSSCGKSA-N 0 0 398.301 2.400 10 0 GEAERN C[C@@H](CCc1ccc(Br)cc1)NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000104791403 643194176 /nfs/dbraw/zinc/19/41/76/643194176.db2.gz CIDYGAKVTVZNMV-XJKSGUPXSA-N 0 0 384.318 2.400 10 0 GEAERN O[C@@H](CN1CCCN(c2cccnn2)CC1)c1cccc(Br)c1 ZINC000106070856 643220169 /nfs/dbraw/zinc/22/01/69/643220169.db2.gz AEUBFZJWUOWQLM-INIZCTEOSA-N 0 0 377.286 2.485 10 0 GEAERN C[C@H](CNC(=O)N(C)CCc1ccc(Br)cc1)N1CCOCC1 ZINC000106529831 643232697 /nfs/dbraw/zinc/23/26/97/643232697.db2.gz CWKZQVINKWWWDZ-CQSZACIVSA-N 0 0 384.318 2.354 10 0 GEAERN O=S(=O)(c1ccc(N2CCO[C@H](Cn3cccn3)C2)cc1)C(F)(F)F ZINC000108949836 643285873 /nfs/dbraw/zinc/28/58/73/643285873.db2.gz XDEDQZWFONANIC-ZDUSSCGKSA-N 0 0 375.372 2.082 10 0 GEAERN CCOc1ccnc(N2CCN(C(=O)Cc3sc(=S)[nH]c3C)CC2)n1 ZINC000109653705 643298914 /nfs/dbraw/zinc/29/89/14/643298914.db2.gz NHWHOCQHIJJIFG-UHFFFAOYSA-N 0 0 379.511 2.194 10 0 GEAERN O=C(NCc1ccccc1Br)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111844575 643348211 /nfs/dbraw/zinc/34/82/11/643348211.db2.gz VDDWNFANZVGRCR-CQSZACIVSA-N 0 0 379.258 2.256 10 0 GEAERN CCc1noc([C@@H](C)N2CCN(C(=O)c3ccc(Br)cn3)CC2)n1 ZINC000112037040 643352423 /nfs/dbraw/zinc/35/24/23/643352423.db2.gz SMHONMKUHPYJJH-LLVKDONJSA-N 0 0 394.273 2.309 10 0 GEAERN Cc1cnn(C[C@H]2CN(C(=O)Cc3cccc(Br)c3)CCO2)c1 ZINC000112061069 643352912 /nfs/dbraw/zinc/35/29/12/643352912.db2.gz IFIAEKVAEBCOHH-MRXNPFEDSA-N 0 0 378.270 2.424 10 0 GEAERN CC[C@@H](O)CN1CCN(C(=O)[C@@H](C)Oc2ccccc2Br)CC1 ZINC000112294496 643358063 /nfs/dbraw/zinc/35/80/63/643358063.db2.gz VMSABCBMOYSMIO-ZIAGYGMSSA-N 0 0 385.302 2.132 10 0 GEAERN C[C@@H](Oc1ccccc1Br)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000112297843 643359407 /nfs/dbraw/zinc/35/94/07/643359407.db2.gz GWYYAQUGJIUHSG-ZIAGYGMSSA-N 0 0 394.269 2.341 10 0 GEAERN C[C@H](NC(=O)NCCN1C(=O)CNC1=O)c1c(Cl)ccc(F)c1Cl ZINC000113378717 643395619 /nfs/dbraw/zinc/39/56/19/643395619.db2.gz YJNFSIKGMXCUHU-ZETCQYMHSA-N 0 0 377.203 2.045 10 0 GEAERN CCCC(=O)N[C@@H]1CCCN(C(=O)c2cc(I)c[nH]2)C1 ZINC000115355522 643437062 /nfs/dbraw/zinc/43/70/62/643437062.db2.gz QTDKXEVRHVADGQ-LLVKDONJSA-N 0 0 389.237 2.140 10 0 GEAERN CCn1cnnc1[C@H]1CCCN(C(=O)c2cc(I)c[nH]2)C1 ZINC000115374530 643437652 /nfs/dbraw/zinc/43/76/52/643437652.db2.gz CKVXNASZIKBVQR-JTQLQIEISA-N 0 0 399.236 2.251 10 0 GEAERN CCn1cnnc1[C@@H]1CCCN(C(=O)c2cc(I)c[nH]2)C1 ZINC000115374528 643437842 /nfs/dbraw/zinc/43/78/42/643437842.db2.gz CKVXNASZIKBVQR-SNVBAGLBSA-N 0 0 399.236 2.251 10 0 GEAERN COCCN1CCN(C(=O)c2ccc(I)cc2)C[C@@H]1C ZINC000117285347 643485777 /nfs/dbraw/zinc/48/57/77/643485777.db2.gz XNLWFEXDTNWKNB-LBPRGKRZSA-N 0 0 388.249 2.084 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)c2sccc2Br)C[C@@H]1C ZINC000117369038 643489403 /nfs/dbraw/zinc/48/94/03/643489403.db2.gz BODPYKHYUYPFAS-NSHDSACASA-N 0 0 397.360 2.242 10 0 GEAERN COCCN1CCN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C[C@@H]1C ZINC000117369798 643490248 /nfs/dbraw/zinc/49/02/48/643490248.db2.gz LKYPOTQSSQJNEV-ZDUSSCGKSA-N 0 0 380.432 2.188 10 0 GEAERN Cc1cnn(CCNC(=O)NCc2cc3c(c(Br)c2)OCO3)c1 ZINC000118066260 643504309 /nfs/dbraw/zinc/50/43/09/643504309.db2.gz HOPAVNNUTHMCGR-UHFFFAOYSA-N 0 0 381.230 2.182 10 0 GEAERN Cc1c(I)cccc1C(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000118977564 643529061 /nfs/dbraw/zinc/52/90/61/643529061.db2.gz DDHIZZXJBHNGBU-CYBMUJFWSA-N 0 0 386.233 2.292 10 0 GEAERN CN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)/C=C\c2ccccc2)cc1 ZINC000119484780 643554117 /nfs/dbraw/zinc/55/41/17/643554117.db2.gz MKQVDJYSPLYSON-SEYXRHQNSA-N 0 0 380.491 2.027 10 0 GEAERN C[C@H](NC(=O)c1cc(Br)ccc1O)c1ccc(S(N)(=O)=O)cc1 ZINC000120030319 643587011 /nfs/dbraw/zinc/58/70/11/643587011.db2.gz PKSSBWGLXRHIBV-VIFPVBQESA-N 0 0 399.266 2.293 10 0 GEAERN Cc1cnn(C[C@@H]2CN(C(=O)COc3ccccc3Br)CCO2)c1 ZINC000121873501 643643863 /nfs/dbraw/zinc/64/38/63/643643863.db2.gz BTSVAOKUFFIMGV-AWEZNQCLSA-N 0 0 394.269 2.260 10 0 GEAERN C[C@@H]1CN(C(=O)NCc2ccc(O)c(Br)c2)C[C@H]1N1CCOCC1 ZINC000126150870 643723027 /nfs/dbraw/zinc/72/30/27/643723027.db2.gz ZZIXTVIDLAMJSQ-IUODEOHRSA-N 0 0 398.301 2.017 10 0 GEAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cncc(Br)c1 ZINC000126256121 643726361 /nfs/dbraw/zinc/72/63/61/643726361.db2.gz OVUHHFFBXFTZDD-NSHDSACASA-N 0 0 381.234 2.239 10 0 GEAERN Cc1noc([C@@H](C)N2CCN(C(=O)Nc3cncc(Br)c3)CC2)n1 ZINC000126548486 643734717 /nfs/dbraw/zinc/73/47/17/643734717.db2.gz MHUTZPIFBPUSOX-SNVBAGLBSA-N 0 0 395.261 2.446 10 0 GEAERN COC(=O)[C@H]1C[C@@H]1C(=O)Nc1nccn1Cc1ccc(Br)cc1 ZINC000126737971 643744771 /nfs/dbraw/zinc/74/47/71/643744771.db2.gz KPIAMRQZCFRHAT-STQMWFEESA-N 0 0 378.226 2.442 10 0 GEAERN COc1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2CO)ccc1Br ZINC000130577965 643844151 /nfs/dbraw/zinc/84/41/51/643844151.db2.gz UPGZMVFAVFCVKM-ZWNOBZJWSA-N 0 0 385.258 2.064 10 0 GEAERN CC[C@]1(C)NC(=O)N(CC(=O)N[C@H](C)c2cccc(Br)c2)C1=O ZINC000130650327 643846769 /nfs/dbraw/zinc/84/67/69/643846769.db2.gz IMXXJZKTNFEZFA-HWPZZCPQSA-N 0 0 382.258 2.347 10 0 GEAERN C[C@H]1COC[C@H](C)N1C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000130758802 643849859 /nfs/dbraw/zinc/84/98/59/643849859.db2.gz GGEQHUYKHLHKHT-STQMWFEESA-N 0 0 386.901 2.374 10 0 GEAERN CCn1c(C)nnc1CSc1nnc(-c2cncc(Br)c2)n1N ZINC000134326651 643903691 /nfs/dbraw/zinc/90/36/91/643903691.db2.gz IHHWFSZJNCUGLW-UHFFFAOYSA-N 0 0 395.290 2.029 10 0 GEAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000151089405 643930303 /nfs/dbraw/zinc/93/03/03/643930303.db2.gz ZRCFGEWSVLMQBH-CYBMUJFWSA-N 0 0 382.873 2.162 10 0 GEAERN O=C(N[C@@H]1CCCC[C@@H]1CO)c1ccc2ncc(I)n2c1 ZINC000151151526 643931575 /nfs/dbraw/zinc/93/15/75/643931575.db2.gz QPYFBARJGMWHLE-VXGBXAGGSA-N 0 0 399.232 2.220 10 0 GEAERN CCOc1nn(CN2CCN(Cc3c(C)nn(C)c3C)CC2)c(=S)s1 ZINC000152657343 643971208 /nfs/dbraw/zinc/97/12/08/643971208.db2.gz MZJGRXOCQHOWAJ-UHFFFAOYSA-N 0 0 382.559 2.198 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)Cc3cc(F)ccc3Br)CCO2)[nH]1 ZINC000153223638 643981827 /nfs/dbraw/zinc/98/18/27/643981827.db2.gz CGFBKKXGJYTSQY-ZDUSSCGKSA-N 0 0 383.221 2.157 10 0 GEAERN CN(Cc1cc(Br)cn1C)C(=O)[C@H](Cc1ccccc1)NC(N)=O ZINC000153581096 643994988 /nfs/dbraw/zinc/99/49/88/643994988.db2.gz MHEVTXDMMLXVSG-HNNXBMFYSA-N 0 0 393.285 2.026 10 0 GEAERN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](C)CCS(C)(=O)=O ZINC000153870694 644009279 /nfs/dbraw/zinc/00/92/79/644009279.db2.gz CFSFMOYJIPUXBL-SWLSCSKDSA-N 0 0 388.917 2.034 10 0 GEAERN Cc1csc([C@H]2CCCN(C(=O)c3cc(C)ccc3S(N)(=O)=O)C2)n1 ZINC000156517703 644100895 /nfs/dbraw/zinc/10/08/95/644100895.db2.gz WXFDNXVAHZKAGC-ZDUSSCGKSA-N 0 0 379.507 2.427 10 0 GEAERN CC(C)[C@H](O)CC(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000156551334 644102627 /nfs/dbraw/zinc/10/26/27/644102627.db2.gz LNIWYTUVNXPDPW-GXTWGEPZSA-N 0 0 398.301 2.428 10 0 GEAERN Cc1noc([C@@H]2COCCN2Cc2cc3c(cc2Br)OCO3)n1 ZINC000158529605 644148017 /nfs/dbraw/zinc/14/80/17/644148017.db2.gz RKKYTNWYUYNEHH-LBPRGKRZSA-N 0 0 382.214 2.443 10 0 GEAERN CNC(=O)[C@H]1CCCN1C(=O)NCC1(c2ccccc2Br)CC1 ZINC000158964642 644169868 /nfs/dbraw/zinc/16/98/68/644169868.db2.gz QNTSVMHYXINJLC-CQSZACIVSA-N 0 0 380.286 2.401 10 0 GEAERN CC(C)c1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccccc1Br)CC2 ZINC000159342132 644188082 /nfs/dbraw/zinc/18/80/82/644188082.db2.gz UGFRXXMFMWRTDC-NSHDSACASA-N 0 0 399.314 2.457 10 0 GEAERN COC(=O)[C@@H](NC(=O)c1cncc(I)c1)c1ccccc1 ZINC000161914958 644225304 /nfs/dbraw/zinc/22/53/04/644225304.db2.gz WIGIZSBPTMAAJP-ZDUSSCGKSA-N 0 0 396.184 2.330 10 0 GEAERN Cc1[nH]c(=O)c(C(=O)N[C@H]2CCCN(c3cccnn3)C2)cc1Br ZINC000164240451 644261150 /nfs/dbraw/zinc/26/11/50/644261150.db2.gz IYFHMDWWWKJAIK-NSHDSACASA-N 0 0 392.257 2.047 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)Cc2c[nH]c3cc(Br)ccc23)CC1 ZINC000164509204 644266034 /nfs/dbraw/zinc/26/60/34/644266034.db2.gz KPQALGUMYTVPQC-HNNXBMFYSA-N 0 0 394.313 2.388 10 0 GEAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000166868233 644278627 /nfs/dbraw/zinc/27/86/27/644278627.db2.gz GTRUVLSLRNWCJE-NSHDSACASA-N 0 0 377.750 2.034 10 0 GEAERN CCc1nnc([C@H]2CN(C(=O)Nc3ccc(Br)nc3)CCO2)[nH]1 ZINC000166896430 644279128 /nfs/dbraw/zinc/27/91/28/644279128.db2.gz XMUTWQMMPJEAIT-SNVBAGLBSA-N 0 0 381.234 2.130 10 0 GEAERN CCOc1ccc(Br)cc1CN(C(=O)[C@@H]1CNC(=O)C1)C1CC1 ZINC000171489765 644325038 /nfs/dbraw/zinc/32/50/38/644325038.db2.gz ZHYAYDFDZMEHLZ-NSHDSACASA-N 0 0 381.270 2.475 10 0 GEAERN CCc1noc([C@@H](C)N2CCN(C(=O)NCCSC(F)(F)F)CC2)n1 ZINC000171918739 644334293 /nfs/dbraw/zinc/33/42/93/644334293.db2.gz QCYRVSGVWOEETN-SNVBAGLBSA-N 0 0 381.424 2.273 10 0 GEAERN Cn1cc(Br)cc1C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000173092834 644350195 /nfs/dbraw/zinc/35/01/95/644350195.db2.gz NTFFVBPXPPPEPQ-QGZVFWFLSA-N 0 0 392.297 2.279 10 0 GEAERN CCc1nnc([C@H]2CN(C(=O)c3cc(Br)ccc3F)CCO2)[nH]1 ZINC000173099090 644351838 /nfs/dbraw/zinc/35/18/38/644351838.db2.gz JFPDSAJFGNRKEI-GFCCVEGCSA-N 0 0 383.221 2.482 10 0 GEAERN CCc1nnc([C@@H]2CN(C(=O)c3ccc(Br)cc3OC)CCO2)[nH]1 ZINC000173097127 644351904 /nfs/dbraw/zinc/35/19/04/644351904.db2.gz FZXMUYMNRKLMFI-ZDUSSCGKSA-N 0 0 395.257 2.352 10 0 GEAERN O=C(N[C@@H]1CCc2cc(Cl)ccc21)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000175792320 644393778 /nfs/dbraw/zinc/39/37/78/644393778.db2.gz CPVCSEHGBOORSX-CZUORRHYSA-N 0 0 377.853 2.174 10 0 GEAERN COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000178818219 644442121 /nfs/dbraw/zinc/44/21/21/644442121.db2.gz FIFYUQMTNHKBKH-CYBMUJFWSA-N 0 0 383.857 2.176 10 0 GEAERN CNC(=O)[C@H](NC(=O)c1cc(Br)nn1-c1ccc(C)cc1)C(C)C ZINC000178860109 644442775 /nfs/dbraw/zinc/44/27/75/644442775.db2.gz NOLGCLXSBSPODH-OAHLLOKOSA-N 0 0 393.285 2.444 10 0 GEAERN O=S(=O)(N[C@H]1CCCC[C@H]1CO)c1cc(Br)cnc1Cl ZINC000179491660 644463048 /nfs/dbraw/zinc/46/30/48/644463048.db2.gz PORVJEFLFZKZDA-WPRPVWTQSA-N 0 0 383.695 2.327 10 0 GEAERN CC(C)CC(=O)N[C@@H](C(=O)Nc1cn(C)cc(Br)c1=O)C(C)C ZINC000181828956 644948302 /nfs/dbraw/zinc/94/83/02/644948302.db2.gz DEJWLXPXMPLOGI-CQSZACIVSA-N 0 0 386.290 2.273 10 0 GEAERN CC(=O)N(c1nc(CN2C[C@H](O)C[C@@H]2CO)cs1)c1ccc(Cl)cc1 ZINC000184010342 645006512 /nfs/dbraw/zinc/00/65/12/645006512.db2.gz WGGPUKFALJQXJC-HZPDHXFCSA-N 0 0 381.885 2.409 10 0 GEAERN Cc1noc([C@@H]2COCCN2CC(=O)Nc2ccc(Br)c(C)c2)n1 ZINC000185086913 645034248 /nfs/dbraw/zinc/03/42/48/645034248.db2.gz BJRFGXIPCNVTDH-AWEZNQCLSA-N 0 0 395.257 2.461 10 0 GEAERN O=C(NC1CN(S(=O)(=O)/C=C/c2cccc(Br)c2)C1)C1CCC1 ZINC000186187455 645063455 /nfs/dbraw/zinc/06/34/55/645063455.db2.gz HJNPHYBYCXWZKL-BQYQJAHWSA-N 0 0 399.310 2.350 10 0 GEAERN O=C(c1nc(Br)cs1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000187491293 645092290 /nfs/dbraw/zinc/09/22/90/645092290.db2.gz USXNRQZNTLGTHM-CYBMUJFWSA-N 0 0 396.310 2.397 10 0 GEAERN O=C(NC1CN(C(=O)c2cccc(I)c2)C1)C1CCC1 ZINC000188548633 645117924 /nfs/dbraw/zinc/11/79/24/645117924.db2.gz OHRVQDCGUSLDKW-UHFFFAOYSA-N 0 0 384.217 2.032 10 0 GEAERN C[C@H](NC(=O)c1ccco1)C(=O)NNc1ccc([N+](=O)[O-])cc1Br ZINC000189260477 645135247 /nfs/dbraw/zinc/13/52/47/645135247.db2.gz GZHVIEWTSKHYLF-QMMMGPOBSA-N 0 0 397.185 2.212 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)c2ccc(C)nc2Cl)C[C@@H]1CC ZINC000189627441 645139202 /nfs/dbraw/zinc/13/92/02/645139202.db2.gz VGFRMYKESHDXEV-AWEZNQCLSA-N 0 0 375.922 2.165 10 0 GEAERN O=C(OCc1ccc(I)c(Cl)c1)[C@H]1CNC(=O)C1 ZINC000190464114 645157577 /nfs/dbraw/zinc/15/75/77/645157577.db2.gz PDTIPOFHJAOTES-MRVPVSSYSA-N 0 0 379.581 2.124 10 0 GEAERN CC(=O)N[C@@H]1CCCN(Cn2c(=O)oc3cc(F)c(Br)cc32)C1 ZINC000192156279 645197151 /nfs/dbraw/zinc/19/71/51/645197151.db2.gz CUYBRQKHWXKJQH-SNVBAGLBSA-N 0 0 386.221 2.054 10 0 GEAERN COC(=O)c1cccc(NC(=O)N[C@@H]2CCCn3ncnc32)c1Br ZINC000192423515 645204911 /nfs/dbraw/zinc/20/49/11/645204911.db2.gz LASFXKDXBLFZJA-LLVKDONJSA-N 0 0 394.229 2.484 10 0 GEAERN COc1ccc(NC(=O)C(=O)N[C@H](C)C(C)C)c(I)c1 ZINC000192629740 645215713 /nfs/dbraw/zinc/21/57/13/645215713.db2.gz JARNFYBYORQEBL-SECBINFHSA-N 0 0 390.221 2.399 10 0 GEAERN C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1F)c1ccc(S(N)(=O)=O)cc1 ZINC000192842416 645224845 /nfs/dbraw/zinc/22/48/45/645224845.db2.gz JKRMURNCLNJGIB-JTQLQIEISA-N 0 0 385.848 2.416 10 0 GEAERN CN(Cc1ccccc1Br)C(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000193061179 645236460 /nfs/dbraw/zinc/23/64/60/645236460.db2.gz AUHZDKRHZXEAMB-ZIAGYGMSSA-N 0 0 391.265 2.359 10 0 GEAERN Cc1cc(NC(=O)C(=O)N2CCC(c3cc[nH]n3)CC2)ncc1Br ZINC000193321630 645267446 /nfs/dbraw/zinc/26/74/46/645267446.db2.gz LKDDMRRPTCOOBU-UHFFFAOYSA-N 0 0 392.257 2.220 10 0 GEAERN O=C(Nc1cc2c(cc1Br)CCC2)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000193447217 645274263 /nfs/dbraw/zinc/27/42/63/645274263.db2.gz LDHUNLPQFRCCRQ-HIFRSBDPSA-N 0 0 381.270 2.296 10 0 GEAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000193839536 645303766 /nfs/dbraw/zinc/30/37/66/645303766.db2.gz OKAGNPCMIJBHJI-BZUAXINKSA-N 0 0 399.260 2.233 10 0 GEAERN CCc1nnc(CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)n1C ZINC000194685340 645342604 /nfs/dbraw/zinc/34/26/04/645342604.db2.gz XJDZUBWNQYIJGT-MRXNPFEDSA-N 0 0 392.257 2.107 10 0 GEAERN CS(=O)(=O)Cc1cccc(CNS(=O)(=O)c2ccc(Cl)s2)c1 ZINC000195014860 645354839 /nfs/dbraw/zinc/35/48/39/645354839.db2.gz YOHUCJFCYJODSI-UHFFFAOYSA-N 0 0 379.912 2.425 10 0 GEAERN Cc1csc([C@@H]2CN(Cn3nc(N4CCOCC4)sc3=S)CCO2)n1 ZINC000195294041 645371067 /nfs/dbraw/zinc/37/10/67/645371067.db2.gz MNLXPONSCLWBIP-LBPRGKRZSA-N 0 0 399.567 2.307 10 0 GEAERN Cn1c(C(=O)N2CCN(c3ncccn3)CC2)cc2oc(Br)cc21 ZINC000223706130 645387065 /nfs/dbraw/zinc/38/70/65/645387065.db2.gz AUSKVQXDYCFXHO-UHFFFAOYSA-N 0 0 390.241 2.286 10 0 GEAERN COc1cc(C(=O)NCCN2CCOCC2)cc2oc(Br)cc21 ZINC000223641961 645387177 /nfs/dbraw/zinc/38/71/77/645387177.db2.gz YZNIDSPDSLYCJK-UHFFFAOYSA-N 0 0 383.242 2.266 10 0 GEAERN COC(=O)[C@@H]1C[C@H]1C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000245396998 645452072 /nfs/dbraw/zinc/45/20/72/645452072.db2.gz NMSLMXCESYAZRN-KCPJHIHWSA-N 0 0 381.270 2.201 10 0 GEAERN C[C@@H](N[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1)c1c(Cl)ccc(F)c1Cl ZINC000246031261 645472123 /nfs/dbraw/zinc/47/21/23/645472123.db2.gz LXFUXIBIDHXEJQ-UTLUCORTSA-N 0 0 397.299 2.475 10 0 GEAERN C[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000247561346 645513299 /nfs/dbraw/zinc/51/32/99/645513299.db2.gz YWHRBODCTMJVMB-SNVBAGLBSA-N 0 0 375.418 2.408 10 0 GEAERN COCCN1CCN([C@H](C)C(=O)Nc2cccc(Br)c2)C[C@H]1C ZINC000247769209 645517309 /nfs/dbraw/zinc/51/73/09/645517309.db2.gz OPBZZCKPTXOWIB-ZIAGYGMSSA-N 0 0 384.318 2.429 10 0 GEAERN O[C@@H](COc1ccc(Cl)cc1Cl)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000247877138 645520306 /nfs/dbraw/zinc/52/03/06/645520306.db2.gz YVNPYHCIFHHCFK-HUUCEWRRSA-N 0 0 386.279 2.331 10 0 GEAERN CCOCCN1CCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)C[C@H]1C ZINC000248709043 645534041 /nfs/dbraw/zinc/53/40/41/645534041.db2.gz BOSDPEJRNFFUIU-CXAGYDPISA-N 0 0 397.313 2.322 10 0 GEAERN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C[C@@H](O)COc1cccc(Br)c1 ZINC000248812700 645539897 /nfs/dbraw/zinc/53/98/97/645539897.db2.gz HYVZVPXKURUDAT-JFOHDYCDSA-N 0 0 398.297 2.462 10 0 GEAERN CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000248848734 645541979 /nfs/dbraw/zinc/54/19/79/645541979.db2.gz AAGUPIVNGKYGOU-MNOVXSKESA-N 0 0 390.864 2.425 10 0 GEAERN C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C[C@H]1N1CCOCC1 ZINC000249146741 645546937 /nfs/dbraw/zinc/54/69/37/645546937.db2.gz WYCZSMOTXZIQSS-ZYHUDNBSSA-N 0 0 397.299 2.474 10 0 GEAERN CC(=O)N[C@@H]1CCCN([C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 ZINC000249702039 645558253 /nfs/dbraw/zinc/55/82/53/645558253.db2.gz IXIQDHWQDDTLHD-RISCZKNCSA-N 0 0 384.263 2.226 10 0 GEAERN COc1ccc(S(=O)(=O)N2CCN3CCCC[C@H]3C2)cc1Br ZINC000249747640 645560058 /nfs/dbraw/zinc/56/00/58/645560058.db2.gz DTOSWHONLVEEPK-LBPRGKRZSA-N 0 0 389.315 2.317 10 0 GEAERN COC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(I)o1 ZINC000255768000 645585278 /nfs/dbraw/zinc/58/52/78/645585278.db2.gz CQMQBJQCKXIYLB-BXKUYDPTSA-N 0 0 375.162 2.061 10 0 GEAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)Cc2cc(Cl)ccc2F)CC1 ZINC000262479778 645632199 /nfs/dbraw/zinc/63/21/99/645632199.db2.gz DEEPVZNMODNKAO-CQSZACIVSA-N 0 0 392.880 2.180 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NCc2ccc(Br)cc2)C1 ZINC000263311568 645660386 /nfs/dbraw/zinc/66/03/86/645660386.db2.gz YUNCEOCRNQKRRP-UHFFFAOYSA-N 0 0 384.274 2.186 10 0 GEAERN Cc1cc(S(=O)(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)sc1Cl ZINC000263486135 645666225 /nfs/dbraw/zinc/66/62/25/645666225.db2.gz MUABNFIXZMUXPS-UHFFFAOYSA-N 0 0 392.930 2.316 10 0 GEAERN CN1C[C@@H](CNC(=O)c2cc(Br)cc(Br)c2)CC1=O ZINC000619002678 652041624 /nfs/dbraw/zinc/04/16/24/652041624.db2.gz YODHXGIQCBDYBN-MRVPVSSYSA-N 0 0 390.075 2.420 10 0 GEAERN CN1C[C@@H](CNC(=O)c2cc(Br)sc2Br)CC1=O ZINC000619005709 652042215 /nfs/dbraw/zinc/04/22/15/652042215.db2.gz MVWWODNFDARCSH-ZCFIWIBFSA-N 0 0 396.104 2.481 10 0 GEAERN Cn1nc2cc(Br)ccc2c1C(=O)N1CC[C@H](n2ccnn2)C1 ZINC000585321390 652533180 /nfs/dbraw/zinc/53/31/80/652533180.db2.gz QXFYGCHSNRCQFH-NSHDSACASA-N 0 0 375.230 2.015 10 0 GEAERN COc1cc(I)c(Cl)cc1C(=O)N1CC=CCN1 ZINC000600137152 652905858 /nfs/dbraw/zinc/90/58/58/652905858.db2.gz IXIHMOPFNALECZ-UHFFFAOYSA-N 0 0 378.597 2.470 10 0 GEAERN CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2cc(Cl)c(Cl)[nH]2)[C@H](O)C1 ZINC000702849360 653320302 /nfs/dbraw/zinc/32/03/02/653320302.db2.gz BIZJKFAIDXAPNQ-LDYMZIIASA-N 0 0 378.256 2.279 10 0 GEAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccccc2Br)C1 ZINC000702852563 653320824 /nfs/dbraw/zinc/32/08/24/653320824.db2.gz SOHJZESVTJEFFN-SMDDNHRTSA-N 0 0 399.285 2.407 10 0 GEAERN C[C@H]1OCC[C@@H]1NC(=O)c1cnn(C(C)(C)C)c1I ZINC000889778008 654172323 /nfs/dbraw/zinc/17/23/23/654172323.db2.gz OPFGHRUTFOTXGV-SCZZXKLOSA-N 0 0 377.226 2.150 10 0 GEAERN CCOC(=O)c1ncc(Br)c(N2CC[C@H](Oc3cccnc3)C2)n1 ZINC000892928175 654370775 /nfs/dbraw/zinc/37/07/75/654370775.db2.gz BCTYMKURWUTFRD-LBPRGKRZSA-N 0 0 393.241 2.469 10 0 GEAERN O=C(Cc1c[nH]c2ccc(Br)cc12)N1CC(NC(=O)C2CC2)C1 ZINC000907522964 654553272 /nfs/dbraw/zinc/55/32/72/654553272.db2.gz RXEKZWKMLYVPGT-UHFFFAOYSA-N 0 0 376.254 2.210 10 0 GEAERN CCCOc1c(Br)cc(C(=O)N2CCOC[C@@H]2CO)cc1OC ZINC000912427733 654753517 /nfs/dbraw/zinc/75/35/17/654753517.db2.gz ONULGRZPCYRTFR-LBPRGKRZSA-N 0 0 388.258 2.080 10 0 GEAERN Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1NC(=O)c1ncccc1Br ZINC000913089199 654782048 /nfs/dbraw/zinc/78/20/48/654782048.db2.gz WKOJZCKKQOBVMJ-IUODEOHRSA-N 0 0 379.258 2.454 10 0 GEAERN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000018182246 210215725 /nfs/dbraw/zinc/21/57/25/210215725.db2.gz PYFRQCZXANRWRW-GFCCVEGCSA-N 0 0 392.308 2.330 10 0 GEAERN O=C(C[C@H]1COc2cc(S(=O)(=O)N3CCCC3)ccc2N1)N1CCCCC1 ZINC000015775080 210169276 /nfs/dbraw/zinc/16/92/76/210169276.db2.gz FVHLVRCUONZQAH-HNNXBMFYSA-N 0 0 393.509 2.047 10 0 GEAERN CCCN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)CS3)CC1 ZINC000015730750 210165726 /nfs/dbraw/zinc/16/57/26/210165726.db2.gz GSCKYPQHRBXIQE-ZDUSSCGKSA-N 0 0 383.539 2.083 10 0 GEAERN CN(Cc1ccon1)[C@H]1CCc2c(c(C(=O)NCc3cccs3)nn2C)C1 ZINC000014534527 210118500 /nfs/dbraw/zinc/11/85/00/210118500.db2.gz GOWYQVMKMBZOHH-AWEZNQCLSA-N 0 0 385.493 2.389 10 0 GEAERN CCN(C[C@@H]1CCCO1)C(=O)CCc1nnc(Cc2ccc3c(c2)OCO3)o1 ZINC000013637159 210074541 /nfs/dbraw/zinc/07/45/41/210074541.db2.gz GWLULXVESFLKKN-HNNXBMFYSA-N 0 0 387.436 2.349 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccccc1OCC(F)F ZINC000151815866 531521324 /nfs/dbraw/zinc/52/13/24/531521324.db2.gz LISQLLLYKZAFMF-ZDUSSCGKSA-N 0 0 376.425 2.473 10 0 GEAERN COc1ccc(C(=O)N[C@H]2CCCC[C@H]2O)cc1I ZINC000152153643 531533838 /nfs/dbraw/zinc/53/38/38/531533838.db2.gz BHWJGVYIJOBVPU-NWDGAFQWSA-N 0 0 375.206 2.333 10 0 GEAERN O=C(NCCNC(=O)c1ccc(Br)cc1)NC[C@H]1CCCC[C@H]1O ZINC000153946431 531614154 /nfs/dbraw/zinc/61/41/54/531614154.db2.gz HTUQQHSUGILCCB-UKRRQHHQSA-N 0 0 398.301 2.029 10 0 GEAERN C[C@H](C(=O)N[C@@H](C)[C@@H]1CCCO1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000027897610 531627367 /nfs/dbraw/zinc/62/73/67/531627367.db2.gz SWWIHAYNRVIDMO-RBZYPMLTSA-N 0 0 395.253 2.117 10 0 GEAERN Cc1noc([C@@H]2COCCN2C(=O)COc2cccc(Br)c2)n1 ZINC000155527392 531689294 /nfs/dbraw/zinc/68/92/94/531689294.db2.gz JVDIASADUMBSSU-ZDUSSCGKSA-N 0 0 382.214 2.119 10 0 GEAERN Cc1noc([C@H]2COCCN2C(=O)c2ccc(I)cc2)n1 ZINC000155505032 531685766 /nfs/dbraw/zinc/68/57/66/531685766.db2.gz STWVEOCQHDFVPZ-GFCCVEGCSA-N 0 0 399.188 2.196 10 0 GEAERN C[C@H](CNC(=O)N(C)Cc1cc(Br)cs1)N1CCOCC1 ZINC000046262486 531702403 /nfs/dbraw/zinc/70/24/03/531702403.db2.gz UQSMGWKUIUDRHV-LLVKDONJSA-N 0 0 376.320 2.373 10 0 GEAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000046567729 531705305 /nfs/dbraw/zinc/70/53/05/531705305.db2.gz MBUVLJJEKWIWIN-SNVBAGLBSA-N 0 0 395.308 2.301 10 0 GEAERN COC(=O)C[C@@H](NC(=O)Cn1cc(Br)ccc1=O)c1ccccc1 ZINC000047527623 531715867 /nfs/dbraw/zinc/71/58/67/531715867.db2.gz WTEKJALFMGWHLX-CQSZACIVSA-N 0 0 393.237 2.031 10 0 GEAERN CCOc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1O ZINC000052004300 531746733 /nfs/dbraw/zinc/74/67/33/531746733.db2.gz OSBVARMHUXTOIN-NEPJUHHUSA-N 0 0 378.288 2.430 10 0 GEAERN CCN(CC)C(=O)C(=O)Nc1cnc(Br)c(Br)c1 ZINC000162778657 531849074 /nfs/dbraw/zinc/84/90/74/531849074.db2.gz OUKYDONMVQFNBH-UHFFFAOYSA-N 0 0 379.052 2.414 10 0 GEAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000162750690 531850254 /nfs/dbraw/zinc/85/02/54/531850254.db2.gz OERVPMTYGILGRV-NSHDSACASA-N 0 0 389.633 2.205 10 0 GEAERN O=C(CNC(=O)c1cccc(Br)c1)N[C@@H]1COc2ccccc21 ZINC000060473173 531843583 /nfs/dbraw/zinc/84/35/83/531843583.db2.gz YKMRUUAOUIIJNX-CQSZACIVSA-N 0 0 375.222 2.429 10 0 GEAERN COC(=O)[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(Br)c(C)c1 ZINC000163586988 531860819 /nfs/dbraw/zinc/86/08/19/531860819.db2.gz PCIQWPCUHBGAEJ-CYBMUJFWSA-N 0 0 383.242 2.250 10 0 GEAERN COC(=O)[C@@H]1C[C@H]1C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000170774834 531892723 /nfs/dbraw/zinc/89/27/23/531892723.db2.gz ABNHQDPCIOEYFH-NXEZZACHSA-N 0 0 378.169 2.476 10 0 GEAERN C[C@@](NC[C@H](O)COc1cccc(Br)c1)(C(N)=O)c1ccccc1 ZINC000170644527 531886211 /nfs/dbraw/zinc/88/62/11/531886211.db2.gz DVLDWNDJASZGQF-YJBOKZPZSA-N 0 0 393.281 2.179 10 0 GEAERN Cn1cc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(Br)cc2)cn1 ZINC000171397010 531906329 /nfs/dbraw/zinc/90/63/29/531906329.db2.gz VRQFFPWKMUKIBG-AWEZNQCLSA-N 0 0 377.242 2.485 10 0 GEAERN O=C(CN1CCO[C@H](c2nccs2)C1)NCCOc1ccc(Cl)cc1 ZINC000171666396 531910408 /nfs/dbraw/zinc/91/04/08/531910408.db2.gz HMNVKFOCLDNXMQ-HNNXBMFYSA-N 0 0 381.885 2.365 10 0 GEAERN O=C(c1ccccc1I)N1CCC[C@@H](n2cncn2)C1 ZINC000171665420 531910442 /nfs/dbraw/zinc/91/04/42/531910442.db2.gz HZJZBGBBJIUDCI-LLVKDONJSA-N 0 0 382.205 2.360 10 0 GEAERN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@@H](C)NC(N)=O ZINC000068238829 531902139 /nfs/dbraw/zinc/90/21/39/531902139.db2.gz WSTSALHVOOINKD-SECBINFHSA-N 0 0 375.256 2.227 10 0 GEAERN Cc1nc(N)[nH]c(=O)c1CCOC(=O)CCc1cccc(Br)c1 ZINC000078989038 531921885 /nfs/dbraw/zinc/92/18/85/531921885.db2.gz WEYVIUHETDQDJK-UHFFFAOYSA-N 0 0 380.242 2.142 10 0 GEAERN O=C(NCCc1ccc(Br)s1)N1CCO[C@H](Cn2cccn2)C1 ZINC000171899740 531922099 /nfs/dbraw/zinc/92/20/99/531922099.db2.gz VUUJZKBGTMEHCQ-LBPRGKRZSA-N 0 0 399.314 2.360 10 0 GEAERN Cc1nc(CN2CCCN(C(=O)Cc3ccc(Br)cc3)CC2)no1 ZINC000171759861 531917023 /nfs/dbraw/zinc/91/70/23/531917023.db2.gz OHTAYQLIIYBHQN-UHFFFAOYSA-N 0 0 393.285 2.418 10 0 GEAERN CS(=O)(=O)CCS(=O)(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000093944044 531929090 /nfs/dbraw/zinc/92/90/90/531929090.db2.gz IXRHXYAFAXQPSL-CYBMUJFWSA-N 0 0 385.429 2.121 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1sccc1Br)CC2 ZINC000172022506 531931247 /nfs/dbraw/zinc/93/12/47/531931247.db2.gz UMYBZTQICZBEHR-SECBINFHSA-N 0 0 384.303 2.479 10 0 GEAERN CC(=O)NC[C@@H]1CN(C(=O)N[C@@H](C)c2ccccc2Br)CCO1 ZINC000172267923 531943103 /nfs/dbraw/zinc/94/31/03/531943103.db2.gz OJVSPAQNLKKOJX-WCQYABFASA-N 0 0 384.274 2.057 10 0 GEAERN COCCN1CCN(C(=O)NCc2cc(F)ccc2Br)C[C@@H]1C ZINC000172328989 531946653 /nfs/dbraw/zinc/94/66/53/531946653.db2.gz SVVLVDTVLGVGIH-LBPRGKRZSA-N 0 0 388.281 2.450 10 0 GEAERN C[C@@H](NC(=O)N1CCS(=O)(=O)C[C@@H]1C)c1ccccc1Br ZINC000172360499 531949507 /nfs/dbraw/zinc/94/95/07/531949507.db2.gz SBKHHMLWANQWEQ-WDEREUQCSA-N 0 0 375.288 2.339 10 0 GEAERN C[C@H](NC(=O)N1CCS(=O)(=O)C[C@H]1C)c1ccccc1Br ZINC000172360490 531949529 /nfs/dbraw/zinc/94/95/29/531949529.db2.gz SBKHHMLWANQWEQ-MNOVXSKESA-N 0 0 375.288 2.339 10 0 GEAERN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000113891823 531951248 /nfs/dbraw/zinc/95/12/48/531951248.db2.gz OQZNRSVHNLKTGD-OAHLLOKOSA-N 0 0 382.873 2.339 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccc(I)cc1)CC2 ZINC000114866483 531957191 /nfs/dbraw/zinc/95/71/91/531957191.db2.gz ZYRGMYBFTNWAKF-GFCCVEGCSA-N 0 0 396.232 2.190 10 0 GEAERN C[C@@H](Oc1ccccc1Br)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172758936 531967782 /nfs/dbraw/zinc/96/77/82/531967782.db2.gz WCWSCVIQQBHPBE-ZIAGYGMSSA-N 0 0 383.286 2.150 10 0 GEAERN C[C@@H](NC(=O)C(=O)Nc1cccnc1-n1cncn1)c1ccc(Cl)s1 ZINC000120150658 531974668 /nfs/dbraw/zinc/97/46/68/531974668.db2.gz OWUKTJTVELEBBJ-SECBINFHSA-N 0 0 376.829 2.193 10 0 GEAERN O=Cc1ccc(OCC(=O)N2CCC[C@H](n3cncn3)C2)c(Br)c1 ZINC000173075025 531985728 /nfs/dbraw/zinc/98/57/28/531985728.db2.gz KRWRBUBJYPVGQO-ZDUSSCGKSA-N 0 0 393.241 2.096 10 0 GEAERN COC(=O)[C@H](c1cccc(Br)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000121058544 532009635 /nfs/dbraw/zinc/00/96/35/532009635.db2.gz NWIVMHOEWRJWMM-HOTGVXAUSA-N 0 0 383.286 2.070 10 0 GEAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000173571118 532020873 /nfs/dbraw/zinc/02/08/73/532020873.db2.gz BDRDHMDEOLBGLO-CYBMUJFWSA-N 0 0 379.258 2.465 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)c3cc4sc(N(C)C)nc4s3)CCO2)[nH]1 ZINC000173599834 532022437 /nfs/dbraw/zinc/02/24/37/532022437.db2.gz ACDITWCELICDTO-VIFPVBQESA-N 0 0 378.483 2.064 10 0 GEAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3cccc(Cl)c3Cl)CCO2)[nH]1 ZINC000173736523 532029234 /nfs/dbraw/zinc/02/92/34/532029234.db2.gz BLSNQSJMXFGWOL-SNVBAGLBSA-N 0 0 377.253 2.182 10 0 GEAERN CS(=O)(=O)Cc1nc(CN2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cs1 ZINC000121450565 532030685 /nfs/dbraw/zinc/03/06/85/532030685.db2.gz KPASFDZQPJWOPZ-IUODEOHRSA-N 0 0 388.461 2.274 10 0 GEAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3Cl)CCO2)[nH]1 ZINC000173736512 532029682 /nfs/dbraw/zinc/02/96/82/532029682.db2.gz BLSNQSJMXFGWOL-JTQLQIEISA-N 0 0 377.253 2.182 10 0 GEAERN O=C(NCc1cc(F)ccc1Br)N1CC[C@@H](N2CCOCC2)C1 ZINC000173781395 532032263 /nfs/dbraw/zinc/03/22/63/532032263.db2.gz PSMWZWCQKZWVOO-CQSZACIVSA-N 0 0 386.265 2.204 10 0 GEAERN O=C(NCc1ccc(Br)c(F)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000173797130 532033842 /nfs/dbraw/zinc/03/38/42/532033842.db2.gz HGYWEBLBLWXJKV-ZDUSSCGKSA-N 0 0 386.265 2.204 10 0 GEAERN COc1cc(Br)ccc1C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000173845311 532037400 /nfs/dbraw/zinc/03/74/00/532037400.db2.gz ABLHHSITXDCFEE-WFASDCNBSA-N 0 0 383.286 2.250 10 0 GEAERN CCc1nnc([C@@H]2CN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CCO2)[nH]1 ZINC000173838611 532037447 /nfs/dbraw/zinc/03/74/47/532037447.db2.gz CJBIJSMLQDNDKP-LBPRGKRZSA-N 0 0 391.280 2.436 10 0 GEAERN CNc1cc(N2CCC[C@@H]2CNS(=O)(=O)c2cc(C)sc2C)ncn1 ZINC000173900388 532040150 /nfs/dbraw/zinc/04/01/50/532040150.db2.gz IXJGSFVEWMLDFK-CYBMUJFWSA-N 0 0 381.527 2.144 10 0 GEAERN C[C@H]1CN(C(=O)c2n[nH]c3ccc(Br)cc32)C[C@@H]1N1CCOCC1 ZINC000173889280 532040204 /nfs/dbraw/zinc/04/02/04/532040204.db2.gz QMZOHCIYXZYPMG-NHYWBVRUSA-N 0 0 393.285 2.118 10 0 GEAERN O=C(NCc1ccc(F)cc1Br)N1CC[C@@H](N2CCOCC2)C1 ZINC000173884202 532040966 /nfs/dbraw/zinc/04/09/66/532040966.db2.gz KBJVUKPNAHULEF-CQSZACIVSA-N 0 0 386.265 2.204 10 0 GEAERN CC(C)c1csc([C@H]2CCCN(C(=O)[C@@H]3CCCN3S(C)(=O)=O)C2)n1 ZINC000173961323 532044416 /nfs/dbraw/zinc/04/44/16/532044416.db2.gz FFBRCQDITJYRJW-ZFWWWQNUSA-N 0 0 385.555 2.397 10 0 GEAERN Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)nc1 ZINC000006793571 209686966 /nfs/dbraw/zinc/68/69/66/209686966.db2.gz BYLYFTDQUIUKNN-UHFFFAOYSA-N 0 0 391.474 2.237 10 0 GEAERN Cn1cc([C@H]2CCN(C(=O)c3cncc(I)c3)C2)cn1 ZINC000121817949 532048559 /nfs/dbraw/zinc/04/85/59/532048559.db2.gz SGAVVBJMIDCPNC-JTQLQIEISA-N 0 0 382.205 2.049 10 0 GEAERN C[C@@H](O)CN1CCN(C(=O)C2(c3cccc(Br)c3)CC2)C[C@H]1C ZINC000174317981 532061506 /nfs/dbraw/zinc/06/15/06/532061506.db2.gz OPUAPAWYDVCEND-ZIAGYGMSSA-N 0 0 381.314 2.394 10 0 GEAERN CCOCCN1CCN(C(=O)COc2ccccc2Br)C[C@@H]1C ZINC000122250962 532062837 /nfs/dbraw/zinc/06/28/37/532062837.db2.gz IKYIAFMYUAMXFU-AWEZNQCLSA-N 0 0 385.302 2.397 10 0 GEAERN CCc1ccc(Cl)c(CC)c1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000122357010 532067108 /nfs/dbraw/zinc/06/71/08/532067108.db2.gz LUKVPYDGNLXNHK-LLVKDONJSA-N 0 0 386.901 2.049 10 0 GEAERN CN(C(=O)c1cc(Br)cn1C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122549459 532074297 /nfs/dbraw/zinc/07/42/97/532074297.db2.gz OPLOGDPPHQEVAU-CYBMUJFWSA-N 0 0 378.274 2.319 10 0 GEAERN O=C(CCCc1ccc(Cl)c(Cl)c1)NC[C@@H](O)CN1CCOCC1 ZINC000122605527 532076823 /nfs/dbraw/zinc/07/68/23/532076823.db2.gz SDBANMXVMDLMPF-CQSZACIVSA-N 0 0 375.296 2.125 10 0 GEAERN Cc1ccc(OCCC(=O)NC[C@H](C)N2CCOCC2)c(Br)c1 ZINC000123539192 532101029 /nfs/dbraw/zinc/10/10/29/532101029.db2.gz ZONOJEFZKIQAGH-AWEZNQCLSA-N 0 0 385.302 2.363 10 0 GEAERN O=C(NCCNC(=O)c1cccc(Br)c1)N[C@@H]1CCCC[C@H]1CO ZINC000176027966 532122587 /nfs/dbraw/zinc/12/25/87/532122587.db2.gz MACLORHRMOYSQT-DZGCQCFKSA-N 0 0 398.301 2.029 10 0 GEAERN CC[C@@H]1CN(S(=O)(=O)Cc2cc(Cl)ccc2F)CCN1CCOC ZINC000124170231 532116194 /nfs/dbraw/zinc/11/61/94/532116194.db2.gz WZUMRZAVCRLHNC-OAHLLOKOSA-N 0 0 378.897 2.352 10 0 GEAERN COc1ccc(C(=O)N[C@@H]2CCCn3ncnc32)c(I)c1 ZINC000124619475 532126467 /nfs/dbraw/zinc/12/64/67/532126467.db2.gz LWMQNDJRJRZOOK-GFCCVEGCSA-N 0 0 398.204 2.156 10 0 GEAERN CC[C@@H](NC(=O)N[C@@H](C)c1ccccc1Br)C(=O)N1CCOCC1 ZINC000176349940 532135316 /nfs/dbraw/zinc/13/53/16/532135316.db2.gz SEMADGKAWDDXGI-SWLSCSKDSA-N 0 0 398.301 2.447 10 0 GEAERN CC(C)n1nnnc1C[S@@](=O)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000176568621 532142031 /nfs/dbraw/zinc/14/20/31/532142031.db2.gz IXMNZODYOHWKMX-RUZDIDTESA-N 0 0 375.376 2.160 10 0 GEAERN Cc1cnn(CCNC(=O)c2cc(=O)[nH]c3c(Br)cccc23)c1 ZINC000176626195 532144018 /nfs/dbraw/zinc/14/40/18/532144018.db2.gz NSRFIBSUBDYATR-UHFFFAOYSA-N 0 0 375.226 2.226 10 0 GEAERN O=S(=O)(N[C@H]1CCCn2ncnc21)c1ccc(OC(F)F)c(Cl)c1 ZINC000176750045 532148204 /nfs/dbraw/zinc/14/82/04/532148204.db2.gz JBRYNZGEZYUMDM-JTQLQIEISA-N 0 0 378.788 2.346 10 0 GEAERN CCc1nnc([C@@H]2CN(C(=O)Nc3ccc(Br)c(C)n3)CCO2)[nH]1 ZINC000128795965 532169139 /nfs/dbraw/zinc/16/91/39/532169139.db2.gz RSMKTBHMKMEXJE-NSHDSACASA-N 0 0 395.261 2.438 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)Nc3ccc(Br)c(C)n3)CCO2)[nH]1 ZINC000128843547 532169573 /nfs/dbraw/zinc/16/95/73/532169573.db2.gz WQXVMGKAOBDHOG-LLVKDONJSA-N 0 0 381.234 2.184 10 0 GEAERN O=C(NCCOc1cccc(Br)c1)N[C@H]1CCCn2ncnc21 ZINC000177363489 532169644 /nfs/dbraw/zinc/16/96/44/532169644.db2.gz ZBSXKJJZBLABGO-ZDUSSCGKSA-N 0 0 380.246 2.254 10 0 GEAERN COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000176950837 532156884 /nfs/dbraw/zinc/15/68/84/532156884.db2.gz BHSVSJADAXGHLS-CMPLNLGQSA-N 0 0 385.258 2.388 10 0 GEAERN C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@@H]1N1CCOCC1 ZINC000176993732 532157592 /nfs/dbraw/zinc/15/75/92/532157592.db2.gz BTBVREAZEMZPMN-ABAIWWIYSA-N 0 0 379.309 2.335 10 0 GEAERN COc1ccc(Br)c(NC(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)c1 ZINC000177061570 532160438 /nfs/dbraw/zinc/16/04/38/532160438.db2.gz YILWTFFCQDQYCJ-ZDUSSCGKSA-N 0 0 396.245 2.490 10 0 GEAERN Cc1ccc([C@H](C)NS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)o1 ZINC000128431336 532164976 /nfs/dbraw/zinc/16/49/76/532164976.db2.gz NUDGUAIKVXLCCT-LBPRGKRZSA-N 0 0 384.479 2.068 10 0 GEAERN Cc1nc(CCNC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)sc1C ZINC000177734705 532181201 /nfs/dbraw/zinc/18/12/01/532181201.db2.gz KPDRUJRFYIICJW-NSHDSACASA-N 0 0 382.511 2.010 10 0 GEAERN CC(C)n1nnnc1C[S@@](=O)CC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000131369449 532196590 /nfs/dbraw/zinc/19/65/90/532196590.db2.gz WZJNEBBPCNXHPL-MQNRADLISA-N 0 0 383.543 2.468 10 0 GEAERN CNC(=O)[C@H](NC(=O)N[C@@H]1CCN(c2ccccc2Br)C1)C(C)C ZINC000178419034 532200485 /nfs/dbraw/zinc/20/04/85/532200485.db2.gz TUISMRQIRKHMLC-IUODEOHRSA-N 0 0 397.317 2.098 10 0 GEAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000131893615 532205878 /nfs/dbraw/zinc/20/58/78/532205878.db2.gz PTFANZUOMXXTDX-GWCFXTLKSA-N 0 0 377.242 2.157 10 0 GEAERN CNC(=O)[C@H](NC(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1)C(C)C ZINC000178682328 532210110 /nfs/dbraw/zinc/21/01/10/532210110.db2.gz OVJVZSIPLWRDRZ-GFCCVEGCSA-N 0 0 384.267 2.383 10 0 GEAERN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C[C@@H](O)CN1CCCC1=O ZINC000178776362 532212404 /nfs/dbraw/zinc/21/24/04/532212404.db2.gz VJAUDDTZPHJKSA-GFCCVEGCSA-N 0 0 388.295 2.237 10 0 GEAERN O=C(Cc1cc(F)ccc1Br)N1CCO[C@H](Cn2cccn2)C1 ZINC000132332724 532214061 /nfs/dbraw/zinc/21/40/61/532214061.db2.gz QZWBXLCMBQKURX-AWEZNQCLSA-N 0 0 382.233 2.255 10 0 GEAERN CNC(=O)[C@H](NS(=O)(=O)c1cc(Br)ccc1Cl)C(C)C ZINC000178923927 532217628 /nfs/dbraw/zinc/21/76/28/532217628.db2.gz RHUHGVVRBGNGAV-LLVKDONJSA-N 0 0 383.695 2.151 10 0 GEAERN CNC(=O)[C@H](NC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1)C(C)C ZINC000178417995 532201190 /nfs/dbraw/zinc/20/11/90/532201190.db2.gz PQRXPCAIGKOPRA-DZGCQCFKSA-N 0 0 397.317 2.098 10 0 GEAERN CNC(=O)[C@H](NC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1)C(C)C ZINC000178424967 532202378 /nfs/dbraw/zinc/20/23/78/532202378.db2.gz DMNNCSULWRYYPB-HUUCEWRRSA-N 0 0 398.301 2.303 10 0 GEAERN Cc1cc(C(=O)CN2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c(C)n1-c1nccs1 ZINC000131773717 532203176 /nfs/dbraw/zinc/20/31/76/532203176.db2.gz QUDPVKZVYQPGJC-JSGCOSHPSA-N 0 0 381.523 2.241 10 0 GEAERN Cc1noc([C@@H](C)N2CCN(S(=O)(=O)c3c(F)cccc3Cl)CC2)n1 ZINC000131800991 532204476 /nfs/dbraw/zinc/20/44/76/532204476.db2.gz SZKXKRSHNNTHSL-SNVBAGLBSA-N 0 0 388.852 2.238 10 0 GEAERN CCOC(=O)[C@@H](NC[C@H]1CN(C)CCO1)c1ccc(Br)cc1F ZINC000132993247 532224946 /nfs/dbraw/zinc/22/49/46/532224946.db2.gz PEXCWKYXKBWUPF-WFASDCNBSA-N 0 0 389.265 2.113 10 0 GEAERN Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2c2cnn(C)c2)c(Br)n1 ZINC000179656241 532240264 /nfs/dbraw/zinc/24/02/64/532240264.db2.gz HPPVJLPIUCDFLU-CYBMUJFWSA-N 0 0 392.257 2.188 10 0 GEAERN COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2Cn2ccnc2)cc1Cl ZINC000133790714 532242280 /nfs/dbraw/zinc/24/22/80/532242280.db2.gz ZRWSDWOQKJTITJ-LBPRGKRZSA-N 0 0 383.857 2.176 10 0 GEAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1ccc(C(F)(F)F)cc1Cl ZINC000179852520 532248056 /nfs/dbraw/zinc/24/80/56/532248056.db2.gz OKUHOYWIXXUJCE-NSHDSACASA-N 0 0 381.782 2.173 10 0 GEAERN O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)N[C@@H]1CCCC[C@@H]1O ZINC000134130436 532250629 /nfs/dbraw/zinc/25/06/29/532250629.db2.gz WUJLLPJPXMGMBR-OLZOCXBDSA-N 0 0 395.308 2.082 10 0 GEAERN CS(=O)(=O)CCCC(=O)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000179952236 532251653 /nfs/dbraw/zinc/25/16/53/532251653.db2.gz NCSATUYORGBSEY-KGLIPLIRSA-N 0 0 379.400 2.165 10 0 GEAERN COCCN(C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000179602349 532237826 /nfs/dbraw/zinc/23/78/26/532237826.db2.gz CXPSWRKBFRAYCW-AAEUAGOBSA-N 0 0 392.880 2.385 10 0 GEAERN CCc1nnc(CS(=O)(=O)Cc2noc(-c3ccc(Cl)cc3)n2)n1C ZINC000180051461 532254438 /nfs/dbraw/zinc/25/44/38/532254438.db2.gz GAXYDCBWAOALKV-UHFFFAOYSA-N 0 0 381.845 2.196 10 0 GEAERN CCn1c(C)nnc1CS(=O)(=O)Cc1cc(Br)ccc1OC ZINC000180043607 532255268 /nfs/dbraw/zinc/25/52/68/532255268.db2.gz QAGXSOJTJVJPEZ-UHFFFAOYSA-N 0 0 388.287 2.493 10 0 GEAERN Cc1nc(S(=O)(=O)N2C[C@H]3CCCN3C[C@@H]2C)sc1Br ZINC000180076474 532256108 /nfs/dbraw/zinc/25/61/08/532256108.db2.gz XMZKTPHNRXARNU-WCBMZHEXSA-N 0 0 380.333 2.071 10 0 GEAERN CCc1nnc(CS(=O)(=O)CC(=O)Nc2cc(Cl)ccc2Cl)n1C ZINC000180084011 532257276 /nfs/dbraw/zinc/25/72/76/532257276.db2.gz FJJJXSBFTWTCAS-UHFFFAOYSA-N 0 0 391.280 2.238 10 0 GEAERN C[C@H](NC(=O)c1cc(I)c[nH]1)c1nnc2n1CCCC2 ZINC000135386659 532272383 /nfs/dbraw/zinc/27/23/83/532272383.db2.gz WNCWLDUBCIPWGR-QMMMGPOBSA-N 0 0 385.209 2.038 10 0 GEAERN O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135746685 532278554 /nfs/dbraw/zinc/27/85/54/532278554.db2.gz ZDLJAMOWFZQTSQ-OAHLLOKOSA-N 0 0 380.853 2.189 10 0 GEAERN CCCC(=O)N[C@H]1CCCN(C(=O)c2ccc(OC)c(Br)n2)C1 ZINC000180989477 532287061 /nfs/dbraw/zinc/28/70/61/532287061.db2.gz PYOBKTWQGZQHBQ-NSHDSACASA-N 0 0 384.274 2.374 10 0 GEAERN Cc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000180977834 532287195 /nfs/dbraw/zinc/28/71/95/532287195.db2.gz OAPWSSZTCBACBQ-ZDUSSCGKSA-N 0 0 399.314 2.450 10 0 GEAERN O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCC[C@H](Cn2cncn2)C1 ZINC000180968119 532287447 /nfs/dbraw/zinc/28/74/47/532287447.db2.gz LBYZMQRJMUMOTR-SNVBAGLBSA-N 0 0 376.269 2.081 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1ccc(O)c(Br)c1)CC2 ZINC000140829788 532294820 /nfs/dbraw/zinc/29/48/20/532294820.db2.gz COSOOSYCFIJZKD-LLVKDONJSA-N 0 0 394.273 2.123 10 0 GEAERN Cc1nc(Br)ccc1NC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000181338549 532295684 /nfs/dbraw/zinc/29/56/84/532295684.db2.gz IRGJHOWZHMYSGN-GFCCVEGCSA-N 0 0 380.246 2.282 10 0 GEAERN C[C@H](NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1nnc2n1CCCC2 ZINC000150974505 532304884 /nfs/dbraw/zinc/30/48/84/532304884.db2.gz MWYWZXKVLXHONX-JTQLQIEISA-N 0 0 382.873 2.162 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1cc(Cl)cc2c1OCC2 ZINC000182474975 532313750 /nfs/dbraw/zinc/31/37/50/532313750.db2.gz FJLLTKOFQUXCLG-OAHLLOKOSA-N 0 0 386.901 2.095 10 0 GEAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@H](C)c1ccccc1Br ZINC000182937616 532319461 /nfs/dbraw/zinc/31/94/61/532319461.db2.gz ICMOMVSBARHFQG-LLVKDONJSA-N 0 0 392.253 2.272 10 0 GEAERN C[C@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)c1cccs1 ZINC000185241416 532337384 /nfs/dbraw/zinc/33/73/84/532337384.db2.gz VCUKMSFEIZQSTP-LBPRGKRZSA-N 0 0 378.475 2.415 10 0 GEAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2cccc(Cl)c2Cl)n1 ZINC000186347983 532340642 /nfs/dbraw/zinc/34/06/42/532340642.db2.gz ZRLHNLQGLODVJR-JTQLQIEISA-N 0 0 378.237 2.447 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1cc(C)cc(Br)c1)CC2 ZINC000187223154 532343504 /nfs/dbraw/zinc/34/35/04/532343504.db2.gz DKACUTXUWDDOIZ-LBPRGKRZSA-N 0 0 399.314 2.205 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)N[C@H](C)Cc2cccc(Br)c2)CC1 ZINC000184962424 532336112 /nfs/dbraw/zinc/33/61/12/532336112.db2.gz SZZLOCCJRWPGNI-PBHICJAKSA-N 0 0 398.345 2.478 10 0 GEAERN COC(=O)[C@@]1(C)CCCN1S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000188204329 532347269 /nfs/dbraw/zinc/34/72/69/532347269.db2.gz LDIBIGLMMJVETR-CYBMUJFWSA-N 0 0 398.225 2.444 10 0 GEAERN COC(=O)[C@@]1(C)CCCN1S(=O)(=O)Cc1ccc(Br)cc1 ZINC000188198569 532347328 /nfs/dbraw/zinc/34/73/28/532347328.db2.gz YNGJEMQGSAPYPI-CQSZACIVSA-N 0 0 376.272 2.306 10 0 GEAERN CCOc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2CCCO2)cc1Br ZINC000188437397 532348203 /nfs/dbraw/zinc/34/82/03/532348203.db2.gz BQTCSCPKEPJZFG-ZWNOBZJWSA-N 0 0 385.258 2.470 10 0 GEAERN O=C(NC1CN(C(=O)c2n[nH]c3ccc(Br)cc32)C1)C1CCC1 ZINC000188472978 532348447 /nfs/dbraw/zinc/34/84/47/532348447.db2.gz PIHMEAAQPFCPCF-UHFFFAOYSA-N 0 0 377.242 2.066 10 0 GEAERN COc1ccc(CCC(=O)N2CC(NC(=O)C3CC3)C2)cc1Br ZINC000189395795 532352094 /nfs/dbraw/zinc/35/20/94/532352094.db2.gz AXMRZZNARBFJQF-UHFFFAOYSA-N 0 0 381.270 2.127 10 0 GEAERN O=C(COc1ccc(Br)cc1Cl)N1CC(NC(=O)C2CC2)C1 ZINC000189474491 532352380 /nfs/dbraw/zinc/35/23/80/532352380.db2.gz JRVDTMPWZMOXSZ-UHFFFAOYSA-N 0 0 387.661 2.218 10 0 GEAERN C[C@@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)c1ccc(C(C)(C)C)cc1 ZINC000189538536 532352671 /nfs/dbraw/zinc/35/26/71/532352671.db2.gz ACSLJGYAORDFMO-CQSZACIVSA-N 0 0 390.571 2.246 10 0 GEAERN Cc1nc(C)n(C[C@H]2CCCN(S(=O)(=O)c3ccc(C)nc3Cl)C2)n1 ZINC000189627790 532353003 /nfs/dbraw/zinc/35/30/03/532353003.db2.gz QGFDTHGRYBWDSB-AWEZNQCLSA-N 0 0 383.905 2.353 10 0 GEAERN Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)c(Cl)n1 ZINC000189634455 532353046 /nfs/dbraw/zinc/35/30/46/532353046.db2.gz QGSGOFGNYCFPQK-CYBMUJFWSA-N 0 0 381.889 2.123 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000189630211 532353068 /nfs/dbraw/zinc/35/30/68/532353068.db2.gz ISBWWQDKRXNCPR-ZDUSSCGKSA-N 0 0 378.897 2.352 10 0 GEAERN COC(=O)c1scc(C)c1S(=O)(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000190172161 532355076 /nfs/dbraw/zinc/35/50/76/532355076.db2.gz JEUVVIHAMLZLHR-CYBMUJFWSA-N 0 0 383.495 2.201 10 0 GEAERN CCCOc1c(Br)cc(C(=O)N2CC(NC(C)=O)C2)cc1OC ZINC000190466371 532356300 /nfs/dbraw/zinc/35/63/00/532356300.db2.gz PZONIUKTPAFMRZ-UHFFFAOYSA-N 0 0 385.258 2.207 10 0 GEAERN O=C(Nc1cc(Cl)c(F)c(Cl)c1)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000190853437 532358364 /nfs/dbraw/zinc/35/83/64/532358364.db2.gz VIOQKXTWOIOKJZ-UHFFFAOYSA-N 0 0 388.226 2.198 10 0 GEAERN CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@H]2CCCO[C@H]2C)s1 ZINC000191265588 532360270 /nfs/dbraw/zinc/36/02/70/532360270.db2.gz UPKLJTZCRQLUGY-ZFWWWQNUSA-N 0 0 388.555 2.252 10 0 GEAERN COc1cc(Br)ccc1CNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000187594840 532345002 /nfs/dbraw/zinc/34/50/02/532345002.db2.gz XLRTURKFHUKAAL-OAHLLOKOSA-N 0 0 398.301 2.074 10 0 GEAERN C[C@@H](CNC(=O)N1CCCNC(=O)[C@@H]1C)Oc1ccccc1Br ZINC000191439525 532360973 /nfs/dbraw/zinc/36/09/73/532360973.db2.gz BTTMDOBOJOFVLB-RYUDHWBXSA-N 0 0 384.274 2.136 10 0 GEAERN Cc1nc(CN2CCCN(C(=O)c3nc(Br)ccc3C)CC2)no1 ZINC000191524648 532361283 /nfs/dbraw/zinc/36/12/83/532361283.db2.gz GUBBWKBJAFCRGE-UHFFFAOYSA-N 0 0 394.273 2.192 10 0 GEAERN Cc1nc(CN2CCCN(C(=O)c3cc(Br)nn3C)CC2)cs1 ZINC000192068340 532382222 /nfs/dbraw/zinc/38/22/22/532382222.db2.gz MPMVDNXURRVWAC-UHFFFAOYSA-N 0 0 398.330 2.296 10 0 GEAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccoc2Br)ncn1 ZINC000193646988 532427901 /nfs/dbraw/zinc/42/79/01/532427901.db2.gz MYSUXFYEWOOCKX-SNVBAGLBSA-N 0 0 380.246 2.273 10 0 GEAERN CNC(=O)Cn1cc(NC(=O)N[C@@H](C)c2ccccc2Br)cn1 ZINC000194271513 532446257 /nfs/dbraw/zinc/44/62/57/532446257.db2.gz JBBBSVKUYXAWTG-JTQLQIEISA-N 0 0 380.246 2.274 10 0 GEAERN C[C@@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1c(Cl)cccc1Br ZINC000282288658 532453906 /nfs/dbraw/zinc/45/39/06/532453906.db2.gz KLMNCARNMOTCCP-OIBJUYFYSA-N 0 0 381.679 2.048 10 0 GEAERN COC(=O)C[C@H](NC(=O)Cc1cnn(C)c1)c1cccc(Br)c1 ZINC000194829108 532459323 /nfs/dbraw/zinc/45/93/23/532459323.db2.gz BBBHIKYLYYWOJZ-AWEZNQCLSA-N 0 0 380.242 2.146 10 0 GEAERN CCn1c(-c2ccc(F)c(Br)c2)nc2c1c(=O)[nH]c(=O)n2CC ZINC000195512002 532479973 /nfs/dbraw/zinc/47/99/73/532479973.db2.gz DHSVLBGMNRXHGH-UHFFFAOYSA-N 0 0 381.205 2.495 10 0 GEAERN O=C([C@H]1CCc2n[nH]nc2C1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000375085714 532533545 /nfs/dbraw/zinc/53/35/45/532533545.db2.gz UMMXKSVJTUHCTR-LRDDRELGSA-N 0 0 391.269 2.272 10 0 GEAERN CCN(CC1CC1)S(=O)(=O)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000248639055 532553459 /nfs/dbraw/zinc/55/34/59/532553459.db2.gz LOUJKPFZZQBATE-HOCLYGCPSA-N 0 0 387.571 2.076 10 0 GEAERN C[C@H]1CN([C@H](CNS(=O)(=O)c2ccc(N)cc2)c2cccs2)CCO1 ZINC000248695491 532554549 /nfs/dbraw/zinc/55/45/49/532554549.db2.gz YQRGMWDVCPOBSW-XJKSGUPXSA-N 0 0 381.523 2.071 10 0 GEAERN C[C@H](NC(=O)[C@H]1CC(F)(F)CN1)c1cc2c(cc1Br)OCCO2 ZINC000263079757 532614428 /nfs/dbraw/zinc/61/44/28/532614428.db2.gz XLNIEWXVMWZTKM-GZMMTYOYSA-N 0 0 391.212 2.395 10 0 GEAERN CSc1ccc(NC(=O)N2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)cc1Cl ZINC000263038792 532612235 /nfs/dbraw/zinc/61/22/35/532612235.db2.gz LMBJTZWXPZBSSM-GFCCVEGCSA-N 0 0 387.889 2.311 10 0 GEAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(c2ccc3cccc(Br)c3n2)CCO1 ZINC000263432992 532624658 /nfs/dbraw/zinc/62/46/58/532624658.db2.gz UGCFQRSWYKQITG-CYBMUJFWSA-N 0 0 394.269 2.219 10 0 GEAERN Cc1c(Cl)cccc1S(=O)(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263472003 532626528 /nfs/dbraw/zinc/62/65/28/532626528.db2.gz IBVLUASXAAAHCO-UHFFFAOYSA-N 0 0 386.901 2.254 10 0 GEAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)Nc2cc(Cl)cc(Cl)c2)CCO1 ZINC000263516094 532628765 /nfs/dbraw/zinc/62/87/65/532628765.db2.gz ZXRDHAGYBVCHAS-CYBMUJFWSA-N 0 0 376.240 2.243 10 0 GEAERN Cc1cc(I)ccc1NC(=O)CN1CCC[C@H](O)[C@H]1C ZINC000384776529 532703360 /nfs/dbraw/zinc/70/33/60/532703360.db2.gz SSAHLDWOLNZFJL-RISCZKNCSA-N 0 0 388.249 2.383 10 0 GEAERN Cc1csc(N2CCCN(c3cnn(C)c(=O)c3Br)CC2)n1 ZINC000301224503 532745133 /nfs/dbraw/zinc/74/51/33/532745133.db2.gz FBXPMPUWYJFRIF-UHFFFAOYSA-N 0 0 384.303 2.024 10 0 GEAERN O=C1[C@H](NC2=NS(=O)(=O)c3ccccc32)CCN1c1cccc(Cl)c1 ZINC000301574244 532754233 /nfs/dbraw/zinc/75/42/33/532754233.db2.gz LVCWDZRHKUWQFL-CQSZACIVSA-N 0 0 375.837 2.184 10 0 GEAERN O=S(=O)(c1ccccc1N1CCN(C[C@@H]2CCOC2)CC1)C(F)(F)F ZINC000301537498 532753282 /nfs/dbraw/zinc/75/32/82/532753282.db2.gz JDVBHEWFSFGLER-ZDUSSCGKSA-N 0 0 378.416 2.139 10 0 GEAERN Cn1c(SCc2cccnc2)nnc1[C@H]1CCCN(C(=O)[C@H]2CCCO2)C1 ZINC000004932492 209547433 /nfs/dbraw/zinc/54/74/33/209547433.db2.gz SDBUXHVCLZYRLJ-JKSUJKDBSA-N 0 0 387.509 2.387 10 0 GEAERN COc1c(N2CC[C@H]([NH3+])C2)c(F)c(C)c2c(=O)c(C(=O)[O-])cn(C3CC3)c12 ZINC000033639576 209244212 /nfs/dbraw/zinc/24/42/12/209244212.db2.gz KZHVREULLOUQLV-JTQLQIEISA-N 0 0 375.400 2.028 10 0 GEAERN COC1(c2nc(-c3ccccn3)no2)CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000225838939 209188499 /nfs/dbraw/zinc/18/84/99/209188499.db2.gz NPCSPFULHNAYPW-UHFFFAOYSA-N 0 0 381.392 2.010 10 0 GEAERN CCCCC[C@H](O)/C=C\[C@@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)NCCO ZINC000098092047 212076908 /nfs/dbraw/zinc/07/69/08/212076908.db2.gz GKKWUSPPIQURFM-ZXKAHSISSA-N 0 0 395.540 2.275 10 0 GEAERN COc1ccc(-c2cc(C(=O)N3CCN(c4ccccn4)CC3)[nH]n2)c(OC)c1 ZINC000057477175 212061023 /nfs/dbraw/zinc/06/10/23/212061023.db2.gz JGVHUUUAASIXNM-UHFFFAOYSA-N 0 0 393.447 2.451 10 0 GEAERN CC(C)c1cc(CNC(=O)C[C@@H]2C(=O)NCCN2C/C=C/c2ccccc2)on1 ZINC000055090233 212059768 /nfs/dbraw/zinc/05/97/68/212059768.db2.gz CWNRKQHDUCBIRZ-AQDCRGGLSA-N 0 0 396.491 2.318 10 0 GEAERN CCOc1ccc(C(=O)OCc2cc(=O)n3nc(COC)sc3n2)cc1 ZINC000041077318 212042659 /nfs/dbraw/zinc/04/26/59/212042659.db2.gz HAVCFVCLPDCNPC-UHFFFAOYSA-N 0 0 375.406 2.053 10 0 GEAERN CNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000027915273 209177940 /nfs/dbraw/zinc/17/79/40/209177940.db2.gz GODNNBLVRSHHLV-UHFFFAOYSA-N 0 0 396.852 2.053 10 0 GEAERN O=C1CCCN1c1ccc(S(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000097015736 211970413 /nfs/dbraw/zinc/97/04/13/211970413.db2.gz URBRQMHCUVPYHK-KRWDZBQOSA-N 0 0 387.461 2.050 10 0 GEAERN Cc1ccc(-c2cc3n(n2)CCC(=O)N3CC(=O)NCc2cccnc2)cc1 ZINC000064817766 211952620 /nfs/dbraw/zinc/95/26/20/211952620.db2.gz LEPQUXWGOXWNHN-UHFFFAOYSA-N 0 0 375.432 2.307 10 0 GEAERN CCOc1ncccc1C(=O)N1CCC[C@H](n2ncc(N(C)C(C)C)cc2=O)C1 ZINC000328606064 209144188 /nfs/dbraw/zinc/14/41/88/209144188.db2.gz QFNMQQOQPKBKPE-INIZCTEOSA-N 0 0 399.495 2.359 10 0 GEAERN COc1ccc(S(=O)(=O)NCc2ccnc(N3CCCC3)n2)cc1Cl ZINC000224204597 211857182 /nfs/dbraw/zinc/85/71/82/211857182.db2.gz OANXJLCCTVOUTN-UHFFFAOYSA-N 0 0 382.873 2.217 10 0 GEAERN COC(=O)c1c(C)c(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)ccc1Cl ZINC000098180285 211379716 /nfs/dbraw/zinc/37/97/16/211379716.db2.gz MHQZVJVUENMXGE-UHFFFAOYSA-N 0 0 376.718 2.303 10 0 GEAERN CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)[C@H]2CCCO2)(c2ccccc2)CC1 ZINC000097214696 211362170 /nfs/dbraw/zinc/36/21/70/211362170.db2.gz QPIYRNZATGPAFF-SJLPKXTDSA-N 0 0 394.537 2.054 10 0 GEAERN NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)c(F)c1 ZINC000096928851 211352269 /nfs/dbraw/zinc/35/22/69/211352269.db2.gz YKNOQTHFSZLRAH-UHFFFAOYSA-N 0 0 387.230 2.417 10 0 GEAERN CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)C2(C1)CCCCC2 ZINC000096309571 211333413 /nfs/dbraw/zinc/33/34/13/211333413.db2.gz CAHMIPUXVRGFJO-HNNXBMFYSA-N 0 0 394.493 2.238 10 0 GEAERN O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F)NCc1ccoc1 ZINC000072144267 211075480 /nfs/dbraw/zinc/07/54/80/211075480.db2.gz SUWBMSRPUVBTLU-MRXNPFEDSA-N 0 0 395.381 2.305 10 0 GEAERN Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@](O)(CO)CC3)s2)cs1 ZINC000072141906 211074251 /nfs/dbraw/zinc/07/42/51/211074251.db2.gz PMXPKASQXOWYQD-OAHLLOKOSA-N 0 0 388.536 2.078 10 0 GEAERN CCOC(=O)CC1(N2CCCN(C(=O)OCc3ccccc3)CC2)COC1 ZINC000071766881 211060461 /nfs/dbraw/zinc/06/04/61/211060461.db2.gz YCGLFHPWQBYHLO-UHFFFAOYSA-N 0 0 376.453 2.053 10 0 GEAERN Cc1ccccc1-c1c[nH]nc1C1CCN(C(=O)[C@H](C)NS(C)(=O)=O)CC1 ZINC000067688985 211016909 /nfs/dbraw/zinc/01/69/09/211016909.db2.gz PCUODCUNRMTPOX-AWEZNQCLSA-N 0 0 390.509 2.029 10 0 GEAERN O=C(NCc1ccncc1)[C@@H]1CN(S(=O)(=O)C2CC2)CC12CCCCC2 ZINC000065259620 210982149 /nfs/dbraw/zinc/98/21/49/210982149.db2.gz FLBLWTMMPXKUIP-KRWDZBQOSA-N 0 0 377.510 2.072 10 0 GEAERN CC(C)NC(=O)CCC(=O)N1CCCN(c2nc3cccnc3s2)CC1 ZINC000065030731 210962318 /nfs/dbraw/zinc/96/23/18/210962318.db2.gz URYYXPMMCGFXSY-UHFFFAOYSA-N 0 0 375.498 2.035 10 0 GEAERN O=C1CN2CCO[C@@]2(c2ccccc2F)c2cc(Cl)ccc2N1CCO ZINC000039959893 210766086 /nfs/dbraw/zinc/76/60/86/210766086.db2.gz WMFSSTNVXWNLKI-IBGZPJMESA-N 0 0 376.815 2.351 10 0 in-man GEAERN CCN(C)C(=O)CCN(CCOC)C(=O)c1cc(-c2ccccc2OC)on1 ZINC000036001484 210704834 /nfs/dbraw/zinc/70/48/34/210704834.db2.gz ZDMGMMCWHNEHBF-UHFFFAOYSA-N 0 0 389.452 2.307 10 0 GEAERN CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(CCCS(C)(=O)=O)CC2 ZINC000276602774 532898402 /nfs/dbraw/zinc/89/84/02/532898402.db2.gz VPFQCJFPYCEORS-QGZVFWFLSA-N 0 0 384.567 2.386 10 0 GEAERN Cn1nc(S(=O)(=O)CCc2ccccc2)nc1NC(=O)c1cccc(F)c1 ZINC000021356809 210382447 /nfs/dbraw/zinc/38/24/47/210382447.db2.gz HJSZTYNWBYGKSN-UHFFFAOYSA-N 0 0 388.424 2.223 10 0 GEAERN Cc1ccc(CNC(=O)[C@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)o1 ZINC000021026579 210374763 /nfs/dbraw/zinc/37/47/63/210374763.db2.gz YTHBZAGKHMPXSD-ZDUSSCGKSA-N 0 0 389.481 2.099 10 0 GEAERN O=C(C[C@@H]1C(=O)NCCN1C1Cc2ccccc2C1)NCCCc1ccccc1 ZINC000019794861 210298533 /nfs/dbraw/zinc/29/85/33/210298533.db2.gz RCYHNUNRDQNVTE-JOCHJYFZSA-N 0 0 391.515 2.093 10 0 GEAERN O=C(Cn1nc2ccccc2n1)N1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000011820503 221128739 /nfs/dbraw/zinc/12/87/39/221128739.db2.gz YYSSRSLEIOPZSS-MRXNPFEDSA-N 0 0 393.447 2.306 10 0 GEAERN Cn1ccc(CC(=O)N2CCC[C@@H]2C(=O)Nc2cccc(-n3cccn3)c2)c1 ZINC000012711584 221219427 /nfs/dbraw/zinc/21/94/27/221219427.db2.gz JOQSZPMWFSDOFV-LJQANCHMSA-N 0 0 377.448 2.383 10 0 GEAERN COc1cc(C(=O)NCc2nccc(N3CCCCC3)n2)cc(OC)c1OC ZINC000224159130 136206427 /nfs/dbraw/zinc/20/64/27/136206427.db2.gz WLWMGBFHDWTZSD-UHFFFAOYSA-N 0 0 386.452 2.423 10 0 GEAERN Cc1nnsc1C(=O)Nc1cnc(N2CCN(c3ccccc3)CC2)nc1 ZINC000224259529 136206542 /nfs/dbraw/zinc/20/65/42/136206542.db2.gz MOSVUZNAXJQRAZ-UHFFFAOYSA-N 0 0 381.465 2.215 10 0 GEAERN CN(C)c1nc(N2CCOCC2)ncc1NC(=O)c1ccc(F)cc1Cl ZINC000224360202 136207054 /nfs/dbraw/zinc/20/70/54/136207054.db2.gz IUYWNNVLUJPGHN-UHFFFAOYSA-N 0 0 379.823 2.424 10 0 GEAERN CCS(=O)(=O)Nc1ccc(Oc2ccc(C(=O)NCCCOC)cn2)cc1 ZINC000065063401 517743417 /nfs/dbraw/zinc/74/34/17/517743417.db2.gz MSFDMVXZGFBHGP-UHFFFAOYSA-N 0 0 393.465 2.402 10 0 GEAERN COC(=O)c1nn(C(C)(C)C)c(N)c1[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000725254377 570272505 /nfs/dbraw/zinc/27/25/05/570272505.db2.gz LKMFUINXCVRGFG-LLVKDONJSA-N 0 0 382.461 2.315 10 0 GEAERN COCCCN(Cc1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)C[C@@H](C)O ZINC000036161554 570556482 /nfs/dbraw/zinc/55/64/82/570556482.db2.gz COTMLPCXDIORPL-QWHCGFSZSA-N 0 0 379.526 2.329 10 0 GEAERN CCN(CC[NH+](C)C)c1ncc(NC(=O)c2ccc(OC)cc2)cc1C(=O)[O-] ZINC000064978679 570623504 /nfs/dbraw/zinc/62/35/04/570623504.db2.gz JZJLAWIWNQWBCJ-UHFFFAOYSA-N 0 0 386.452 2.429 10 0 GEAERN CCc1ccccc1NC(=O)N1CCCN([C@@H]2CCN(CCOC)C2=O)CC1 ZINC000097123479 570664896 /nfs/dbraw/zinc/66/48/96/570664896.db2.gz CBRLXQVLUOSVJH-LJQANCHMSA-N 0 0 388.512 2.036 10 0 GEAERN CCc1ccccc1NC(=O)N1CCCN([C@H]2CCN(CCOC)C2=O)CC1 ZINC000097123483 570665078 /nfs/dbraw/zinc/66/50/78/570665078.db2.gz CBRLXQVLUOSVJH-IBGZPJMESA-N 0 0 388.512 2.036 10 0 GEAERN CC(C)[C@H]1OCCC[C@H]1Nc1cc(N2CCC(N3CCNC3=O)CC2)ncn1 ZINC000275607436 570697198 /nfs/dbraw/zinc/69/71/98/570697198.db2.gz IKRDXMDBGZTYQN-VQIMIIECSA-N 0 0 388.516 2.086 10 0 GEAERN COc1ccc(CNC(=O)[C@H]2CCCN(c3nc4ccccc4[nH]c3=O)C2)cc1 ZINC000022595213 570728889 /nfs/dbraw/zinc/72/88/89/570728889.db2.gz XJEKTRUGWHLRPZ-INIZCTEOSA-N 0 0 392.459 2.465 10 0 GEAERN O=C(Cc1ccc(F)cc1)N[C@H](c1nnc(N2CCOCC2)o1)c1ccccc1 ZINC000065209667 570731154 /nfs/dbraw/zinc/73/11/54/570731154.db2.gz NKGGUQHCFJREOW-IBGZPJMESA-N 0 0 396.422 2.494 10 0 GEAERN COc1cccc(CC(=O)Nc2cnn(-c3ncc(N4CCCC4)cn3)c2)c1 ZINC000065231768 570742022 /nfs/dbraw/zinc/74/20/22/570742022.db2.gz PKFOGXMBBGCEFL-UHFFFAOYSA-N 0 0 378.436 2.452 10 0 GEAERN Cc1nc(C(=O)NCc2cccs2)c(C)n1C1CCN(S(C)(=O)=O)CC1 ZINC000065257414 570756125 /nfs/dbraw/zinc/75/61/25/570756125.db2.gz QITCCXGDAPLNHD-UHFFFAOYSA-N 0 0 396.538 2.088 10 0 GEAERN Cc1cc(S(=O)(=O)NCc2nc(C3CC3)nn2-c2ccccn2)ccc1F ZINC000065382931 570763434 /nfs/dbraw/zinc/76/34/34/570763434.db2.gz UHULLXXHFGVZRN-UHFFFAOYSA-N 0 0 387.440 2.466 10 0 GEAERN Cc1ncc(CO)c(-c2nc3c([nH]2)C(=O)NC[C@@H](c2ccc(F)cc2)C3)c1O ZINC000065386473 570812330 /nfs/dbraw/zinc/81/23/30/570812330.db2.gz MQOZJXXGZHRLKZ-LBPRGKRZSA-N 0 0 382.395 2.187 10 0 GEAERN O=S(=O)(c1cc2c(cc1Cl)OCCO2)N1CC[C@@H](Oc2cccnc2)C1 ZINC000097015545 570886791 /nfs/dbraw/zinc/88/67/91/570886791.db2.gz XLICNFJQXTXGNM-CYBMUJFWSA-N 0 0 396.852 2.348 10 0 GEAERN CCOc1ccccc1CNC(=O)c1nc2nn(C)cc2c(N2CCCC2)n1 ZINC000065284340 570941860 /nfs/dbraw/zinc/94/18/60/570941860.db2.gz KBRYADBMKVSLIE-UHFFFAOYSA-N 0 0 380.452 2.292 10 0 GEAERN CC(C)Cn1c2cnccc2nc(N2CCN(C(=O)c3ccccc3)CC2)c1=O ZINC000065292829 570956508 /nfs/dbraw/zinc/95/65/08/570956508.db2.gz WXOXYSLDAWESMN-UHFFFAOYSA-N 0 0 391.475 2.410 10 0 GEAERN C[C@H](NS(=O)(=O)c1cc(F)ccc1F)c1ccc(S(C)(=O)=O)cc1 ZINC000015359063 642380592 /nfs/dbraw/zinc/38/05/92/642380592.db2.gz BMKOVWCHYPGSJD-JTQLQIEISA-N 0 0 375.418 2.408 10 0 GEAERN C[C@@H](NC(=O)CNC1=NS(=O)(=O)c2ccccc21)c1ccc(Cl)cc1 ZINC000015768771 642383296 /nfs/dbraw/zinc/38/32/96/642383296.db2.gz XPENYRACOCJREE-LLVKDONJSA-N 0 0 377.853 2.256 10 0 GEAERN C[C@H](CNC(=O)COc1ccc(Br)cc1Cl)N1CCOCC1 ZINC000029958780 642472726 /nfs/dbraw/zinc/47/27/26/642472726.db2.gz VNXVXBUXYJDMMO-LLVKDONJSA-N 0 0 391.693 2.318 10 0 GEAERN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCO[C@H]3CCCC[C@H]32)c1 ZINC000041109410 642526168 /nfs/dbraw/zinc/52/61/68/642526168.db2.gz GPAPDCHYVFGQBY-CVEARBPZSA-N 0 0 386.901 2.374 10 0 GEAERN C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCOCC1)c1cccs1 ZINC000053680384 642734834 /nfs/dbraw/zinc/73/48/34/642734834.db2.gz ZRSXZEMOLUJMPS-LLVKDONJSA-N 0 0 386.520 2.322 10 0 GEAERN CS(=O)(=O)N1CCC[C@@H]1c1nnc(C(=O)Nc2ccc(F)c(F)c2)s1 ZINC000064941267 642876988 /nfs/dbraw/zinc/87/69/88/642876988.db2.gz REOAUXCPGSCLTA-LLVKDONJSA-N 0 0 388.421 2.165 10 0 GEAERN C[C@H](CNS(=O)(=O)/C=C/c1cccc(Br)c1)N1CCOCC1 ZINC000066910130 642948221 /nfs/dbraw/zinc/94/82/21/642948221.db2.gz BCTPQNRYBBTZDR-ZQNFCJTASA-N 0 0 389.315 2.060 10 0 GEAERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)/C=C/c2cccc(Br)c2)C1 ZINC000066911746 642948586 /nfs/dbraw/zinc/94/85/86/642948586.db2.gz AHIAPZQICCYSTO-LOWQCSRCSA-N 0 0 387.299 2.350 10 0 GEAERN O=C1N[C@@H](c2csc(-c3cccc(Br)c3)n2)N2CCOC[C@@H]12 ZINC000093884582 643081395 /nfs/dbraw/zinc/08/13/95/643081395.db2.gz XORHHMJAWTWVJP-QWHCGFSZSA-N 0 0 380.267 2.402 10 0 GEAERN CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2O)s1 ZINC000093918085 643082878 /nfs/dbraw/zinc/08/28/78/643082878.db2.gz FISQHNOHNRTNJC-LSDHHAIUSA-N 0 0 388.555 2.035 10 0 GEAERN C[C@H](NC(=O)NCCCNC(=O)c1cccc(Br)c1)[C@@H]1CCCO1 ZINC000101606654 643112542 /nfs/dbraw/zinc/11/25/42/643112542.db2.gz BRYPLSUXPNAQSZ-WFASDCNBSA-N 0 0 398.301 2.436 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)CCOc1cccc(Cl)c1 ZINC000105128427 643199845 /nfs/dbraw/zinc/19/98/45/643199845.db2.gz KGBGVABRSOKXFY-INIZCTEOSA-N 0 0 388.917 2.381 10 0 GEAERN COCCN1CCN([C@@H](C)C(=O)Nc2ccccc2Br)C[C@H]1C ZINC000106108075 643223180 /nfs/dbraw/zinc/22/31/80/643223180.db2.gz RFMKOAGLQNDDDM-KGLIPLIRSA-N 0 0 384.318 2.429 10 0 GEAERN Cc1cc(Br)ccc1NC(=O)CN1CCO[C@H](Cn2cccn2)C1 ZINC000106193675 643225647 /nfs/dbraw/zinc/22/56/47/643225647.db2.gz LNQMTEFQCXEQSN-HNNXBMFYSA-N 0 0 393.285 2.294 10 0 GEAERN Brc1cc2c(cc1CN1CCO[C@@H](Cn3cccn3)C1)OCCO2 ZINC000106193194 643225665 /nfs/dbraw/zinc/22/56/65/643225665.db2.gz ADCGQKWJEZHJCJ-CQSZACIVSA-N 0 0 394.269 2.318 10 0 GEAERN Brc1ccc(-c2nnc(CN3CCO[C@@H](Cn4cccn4)C3)o2)o1 ZINC000106192379 643225705 /nfs/dbraw/zinc/22/57/05/643225705.db2.gz DHPXXYDERXVOSJ-LLVKDONJSA-N 0 0 394.229 2.190 10 0 GEAERN CC[C@@H](O)CN1CCN(C(=O)C2(c3cccc(Br)c3)CC2)CC1 ZINC000106394642 643230048 /nfs/dbraw/zinc/23/00/48/643230048.db2.gz USEKLNIGFHEEEE-MRXNPFEDSA-N 0 0 381.314 2.396 10 0 GEAERN CC(C)n1nnnc1CSc1nnc(-c2cccc(Br)c2)n1N ZINC000107078427 643249388 /nfs/dbraw/zinc/24/93/88/643249388.db2.gz GAJJNZKKIBHQSL-UHFFFAOYSA-N 0 0 395.290 2.281 10 0 GEAERN CCCC(=O)N[C@@H]1CCCN(C(=O)c2sccc2S(=O)(=O)C(F)F)C1 ZINC000108165686 643267097 /nfs/dbraw/zinc/26/70/97/643267097.db2.gz XHECEGBLYUQUNI-SNVBAGLBSA-N 0 0 394.465 2.265 10 0 GEAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)Cc2csc(C)n2)CC1 ZINC000109666101 643299024 /nfs/dbraw/zinc/29/90/24/643299024.db2.gz YYVGHLKDYAOWIA-UHFFFAOYSA-N 0 0 381.933 2.288 10 0 GEAERN O=C(COc1ccc(Br)cc1F)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111076814 643326251 /nfs/dbraw/zinc/32/62/51/643326251.db2.gz FGXRUMCMONUULM-CYBMUJFWSA-N 0 0 398.232 2.091 10 0 GEAERN Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)c3ccc(F)c(Cl)c3)CCO2)n1 ZINC000111345552 643335357 /nfs/dbraw/zinc/33/53/57/643335357.db2.gz QMTVVFCCAREDJK-CYBMUJFWSA-N 0 0 387.864 2.382 10 0 GEAERN O=C(NCc1cccc(Br)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111844544 643348144 /nfs/dbraw/zinc/34/81/44/643348144.db2.gz RJWXMIOXEJZFJB-HNNXBMFYSA-N 0 0 379.258 2.256 10 0 GEAERN CCc1noc([C@H](C)N2CCN(C(=O)c3ccc(Br)cn3)CC2)n1 ZINC000112037042 643352440 /nfs/dbraw/zinc/35/24/40/643352440.db2.gz SMHONMKUHPYJJH-NSHDSACASA-N 0 0 394.273 2.309 10 0 GEAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000113298608 643392411 /nfs/dbraw/zinc/39/24/11/643392411.db2.gz XTWFQQVQLATGEG-MRVPVSSYSA-N 0 0 380.779 2.244 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)NCc1cc(Br)cs1)CC2 ZINC000114934213 643427495 /nfs/dbraw/zinc/42/74/95/643427495.db2.gz GVSJYFLOAUHCEG-SNVBAGLBSA-N 0 0 384.303 2.479 10 0 GEAERN CN(C)c1ncc(Br)cc1C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116123751 643453026 /nfs/dbraw/zinc/45/30/26/643453026.db2.gz CEUQGRNXDLNTEU-LLVKDONJSA-N 0 0 378.274 2.273 10 0 GEAERN CN1CCO[C@H](CNC(=O)NCCCc2ccc(Br)cc2F)C1 ZINC000116429761 643463308 /nfs/dbraw/zinc/46/33/08/643463308.db2.gz VALRHSVMYZRCME-CQSZACIVSA-N 0 0 388.281 2.151 10 0 GEAERN O=C(NCCCc1ccc(Br)cc1F)N[C@@H]1CCc2ncnn2C1 ZINC000116570201 643465224 /nfs/dbraw/zinc/46/52/24/643465224.db2.gz APUCHGHDQCCEPU-CYBMUJFWSA-N 0 0 396.264 2.427 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)C[C@H]1CC ZINC000116899308 643475021 /nfs/dbraw/zinc/47/50/21/643475021.db2.gz FAVATZCMZXFZCW-GFCCVEGCSA-N 0 0 380.432 2.225 10 0 GEAERN Cc1nc(C)n(C[C@@H]2CCCN(S(=O)(=O)c3cnc(Cl)c(C)c3)C2)n1 ZINC000117365999 643488918 /nfs/dbraw/zinc/48/89/18/643488918.db2.gz YHFPPVAYPVPWRE-CQSZACIVSA-N 0 0 383.905 2.353 10 0 GEAERN COc1cc(Br)c(CNC(=O)NCCn2cc(C)cn2)cc1OC ZINC000118070298 643504115 /nfs/dbraw/zinc/50/41/15/643504115.db2.gz JIIKGKBHPXNEBT-UHFFFAOYSA-N 0 0 397.273 2.471 10 0 GEAERN CN1CCO[C@@H](CNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000118115414 643505731 /nfs/dbraw/zinc/50/57/31/643505731.db2.gz LTHQNFIOPRNWCH-QMMMGPOBSA-N 0 0 380.659 2.032 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Cc1ccccc1I ZINC000119364418 643548185 /nfs/dbraw/zinc/54/81/85/643548185.db2.gz CFSWPVPDZFFUKG-CYBMUJFWSA-N 0 0 396.232 2.385 10 0 GEAERN Cc1cccc(Nc2nn(CN3C[C@@H](C)O[C@H](C(N)=O)C3)c(=S)s2)c1 ZINC000120196769 643595168 /nfs/dbraw/zinc/59/51/68/643595168.db2.gz OCVKDSSNZNDQDF-YPMHNXCESA-N 0 0 379.511 2.258 10 0 GEAERN Cn1c(CO)nn(CN2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)c1=S ZINC000120432410 643606435 /nfs/dbraw/zinc/60/64/35/643606435.db2.gz PHWOELLUQIMOST-NSHDSACASA-N 0 0 383.543 2.228 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cc(F)ccc1Br ZINC000120440982 643607308 /nfs/dbraw/zinc/60/73/08/643607308.db2.gz PUIAAFRQJBEHOZ-LLVKDONJSA-N 0 0 396.220 2.078 10 0 GEAERN C[C@@H](NC(=O)N(C)CC(=O)N1CCOCC1)c1ccccc1Br ZINC000123441592 643670182 /nfs/dbraw/zinc/67/01/82/643670182.db2.gz QYFMDOTVSOGZPM-GFCCVEGCSA-N 0 0 384.274 2.010 10 0 GEAERN Cc1cc(S(=O)(=O)N(C)C(=O)[C@H]2CC[C@@H](C)O2)ccc1Br ZINC000124296322 643684245 /nfs/dbraw/zinc/68/42/45/643684245.db2.gz FWTFZVFPYPHGMS-ZWNOBZJWSA-N 0 0 376.272 2.472 10 0 GEAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCCOc1ccc(Br)cc1 ZINC000125183091 643702355 /nfs/dbraw/zinc/70/23/55/643702355.db2.gz LYURQYLVMIFIPB-LLVKDONJSA-N 0 0 381.226 2.356 10 0 GEAERN O=C(COc1cccc(Br)c1)N1CCC[C@H](Cn2cncn2)C1 ZINC000127377587 643774178 /nfs/dbraw/zinc/77/41/78/643774178.db2.gz RXPZUTDDRAUMJK-ZDUSSCGKSA-N 0 0 379.258 2.358 10 0 GEAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)COc1ccccc1Br ZINC000134881039 643907796 /nfs/dbraw/zinc/90/77/96/643907796.db2.gz OUMMSDQENJOIPU-GFCCVEGCSA-N 0 0 395.257 2.217 10 0 GEAERN Cc1noc([C@H](C)N2CCN(Cn3nc(OC(C)C)sc3=S)CC2)n1 ZINC000152642044 643971452 /nfs/dbraw/zinc/97/14/52/643971452.db2.gz GCQGXWPMCRLXOR-NSHDSACASA-N 0 0 384.531 2.489 10 0 GEAERN Cc1noc([C@@H](C)N2CCN(Cn3nc(C)c(Br)c3C)CC2)n1 ZINC000152647236 643971519 /nfs/dbraw/zinc/97/15/19/643971519.db2.gz BQAVNAPONKFJAJ-GFCCVEGCSA-N 0 0 383.294 2.290 10 0 GEAERN Cc1noc([C@H]2COCCN2C(=O)c2cccc(I)c2)n1 ZINC000155481810 644073960 /nfs/dbraw/zinc/07/39/60/644073960.db2.gz WFJRNFWJLXJEKA-GFCCVEGCSA-N 0 0 399.188 2.196 10 0 GEAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(Br)cc1 ZINC000157067949 644129489 /nfs/dbraw/zinc/12/94/89/644129489.db2.gz VAYLVRYMICYDMN-LBPRGKRZSA-N 0 0 385.287 2.416 10 0 GEAERN COc1cc(C)c(Br)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1O ZINC000158533542 644147970 /nfs/dbraw/zinc/14/79/70/644147970.db2.gz IDKOHYJRRKLAHH-NWDGAFQWSA-N 0 0 378.288 2.348 10 0 GEAERN CNC(=O)[C@H]1CCCN1C(=O)NCCCc1ccc(Br)cc1F ZINC000158670996 644155019 /nfs/dbraw/zinc/15/50/19/644155019.db2.gz OEBGIYFWHYSRPN-CQSZACIVSA-N 0 0 386.265 2.441 10 0 GEAERN O=C(c1cc(Cn2cc(Br)cn2)on1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000158984545 644170576 /nfs/dbraw/zinc/17/05/76/644170576.db2.gz MOJNNTBTDZZILJ-LSDHHAIUSA-N 0 0 395.257 2.466 10 0 GEAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000162358790 644234618 /nfs/dbraw/zinc/23/46/18/644234618.db2.gz FVPNCFNDSGNIPG-RNCFNFMXSA-N 0 0 391.225 2.495 10 0 GEAERN Cc1cnn(CCNC(=O)N(C)[C@@H]2CS(=O)(=O)c3ccc(Cl)cc32)c1 ZINC000163413493 644254877 /nfs/dbraw/zinc/25/48/77/644254877.db2.gz IYTVJWUNNCBESZ-CQSZACIVSA-N 0 0 382.873 2.015 10 0 GEAERN CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000166701946 644277947 /nfs/dbraw/zinc/27/79/47/644277947.db2.gz VGEJWSOLVRKJMU-LLVKDONJSA-N 0 0 377.750 2.034 10 0 GEAERN C[C@H]1C[C@H]1NC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000170807552 644288209 /nfs/dbraw/zinc/28/82/09/644288209.db2.gz ATFMCQHHYIQSBH-WDEREUQCSA-N 0 0 377.919 2.216 10 0 GEAERN C[NH+](C)[C@@H]1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)C1 ZINC000170865662 644293816 /nfs/dbraw/zinc/29/38/16/644293816.db2.gz ZDHKPMWMAWZVDA-OAHLLOKOSA-N 0 0 379.507 2.325 10 0 GEAERN CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N[C@H]1C[C@H]1C ZINC000171072442 644306041 /nfs/dbraw/zinc/30/60/41/644306041.db2.gz PGTPWXMRYXPXTP-SWHYSGLUSA-N 0 0 389.315 2.277 10 0 GEAERN C[C@H]1CN(C(=O)CN2C(=O)COc3cc(Br)ccc32)CCS1 ZINC000171570470 644327828 /nfs/dbraw/zinc/32/78/28/644327828.db2.gz OARNBSZVSHLXNV-JTQLQIEISA-N 0 0 385.283 2.138 10 0 GEAERN Brc1ccccc1-c1nnc(CN2CC[C@H](N3CCOCC3)C2)o1 ZINC000172806909 644344633 /nfs/dbraw/zinc/34/46/33/644344633.db2.gz UUOFLDLNVQBDHH-ZDUSSCGKSA-N 0 0 393.285 2.406 10 0 GEAERN Cc1cc(NC(=O)CN2CC[C@@H](N3CCOCC3)C2)ccc1Br ZINC000172806716 644344757 /nfs/dbraw/zinc/34/47/57/644344757.db2.gz WGHAHTNZFWOWFK-OAHLLOKOSA-N 0 0 382.302 2.103 10 0 GEAERN C[C@H](NC(=O)CN1CC[C@H](N2CCOCC2)C1)c1ccc(Br)cc1 ZINC000172805789 644345013 /nfs/dbraw/zinc/34/50/13/644345013.db2.gz DWIQBSDJHLSGEH-YOEHRIQHSA-N 0 0 396.329 2.033 10 0 GEAERN S=c1n(-c2cccc(Cl)c2)cnn1CN1CC[C@@H](N2CCOCC2)C1 ZINC000172959801 644347693 /nfs/dbraw/zinc/34/76/93/644347693.db2.gz JBVLXFOKGFWWPB-MRXNPFEDSA-N 0 0 379.917 2.421 10 0 GEAERN CN(C)c1nn(CN2CCN(C[C@@H](O)c3ccccc3)CC2)c(=S)s1 ZINC000173361433 644356450 /nfs/dbraw/zinc/35/64/50/644356450.db2.gz NCLZIKOPSBICJT-OAHLLOKOSA-N 0 0 379.555 2.049 10 0 GEAERN CCOc1nn(CN2CCN(C[C@H](O)c3ccccc3)CC2)c(=S)s1 ZINC000173361791 644356500 /nfs/dbraw/zinc/35/65/00/644356500.db2.gz LGPZGJQXOQZUBY-HNNXBMFYSA-N 0 0 380.539 2.381 10 0 GEAERN C[C@@H](COCc1ccccc1)NC(=O)c1cc(S(N)(=O)=O)ccc1Cl ZINC000174587432 644377094 /nfs/dbraw/zinc/37/70/94/644377094.db2.gz VELDKVXRTZHIHG-LBPRGKRZSA-N 0 0 382.869 2.323 10 0 GEAERN C[C@H](NC(=O)C(=O)Nc1c(F)cc(Br)cc1F)[C@H]1CCCO1 ZINC000174654045 644379609 /nfs/dbraw/zinc/37/96/09/644379609.db2.gz OYMKPXBVWNUORS-WRWORJQWSA-N 0 0 377.185 2.350 10 0 GEAERN C[C@H](C(=O)N(C)c1ccc(Br)nc1)N1C(=O)c2ccccc2C1=O ZINC000175320736 644389141 /nfs/dbraw/zinc/38/91/41/644389141.db2.gz XQJMMWSFSOXYAJ-SNVBAGLBSA-N 0 0 388.221 2.492 10 0 GEAERN Brc1nc(Br)n(CN2CCO[C@H]3CCCC[C@@H]32)n1 ZINC000176878980 644406971 /nfs/dbraw/zinc/40/69/71/644406971.db2.gz UMVDGDCCMZHNLE-IUCAKERBSA-N 0 0 380.084 2.404 10 0 GEAERN COC(=O)C1CCC(C(=O)NCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000179470991 644462099 /nfs/dbraw/zinc/46/20/99/644462099.db2.gz WLLRCUQHSKVGNI-UHFFFAOYSA-N 0 0 397.269 2.483 10 0 GEAERN CN1CCO[C@@H](CNC(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)C1 ZINC000184581110 645021443 /nfs/dbraw/zinc/02/14/43/645021443.db2.gz UCDIOARRQNMTBL-ZDUSSCGKSA-N 0 0 387.311 2.156 10 0 GEAERN Cc1noc([C@@H]2COCCN2CC(=O)Nc2ccc(C)cc2Br)n1 ZINC000185072632 645033456 /nfs/dbraw/zinc/03/34/56/645033456.db2.gz LVPBXUJFNNWYKA-AWEZNQCLSA-N 0 0 395.257 2.461 10 0 GEAERN CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC000185154305 645037699 /nfs/dbraw/zinc/03/76/99/645037699.db2.gz RIJJSAKUFRFWAL-GHMZBOCLSA-N 0 0 390.864 2.425 10 0 GEAERN CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC000185154323 645037759 /nfs/dbraw/zinc/03/77/59/645037759.db2.gz RIJJSAKUFRFWAL-WDEREUQCSA-N 0 0 390.864 2.425 10 0 GEAERN O=C(NC1CN(S(=O)(=O)/C=C/c2ccc(Br)cc2)C1)C1CCC1 ZINC000186183651 645063085 /nfs/dbraw/zinc/06/30/85/645063085.db2.gz PRODEIWINOOQAE-CMDGGOBGSA-N 0 0 399.310 2.350 10 0 GEAERN O=C(NC[C@@H](O)CN1CCOCC1)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000186377713 645065968 /nfs/dbraw/zinc/06/59/68/645065968.db2.gz JRHXDRRWMIIACA-CYBMUJFWSA-N 0 0 381.782 2.173 10 0 GEAERN O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CC[C@H](N2CCOCC2)C1 ZINC000188058308 645106760 /nfs/dbraw/zinc/10/67/60/645106760.db2.gz XAKWPKURLICUFT-JTQLQIEISA-N 0 0 383.272 2.228 10 0 GEAERN Cc1cnn(CCNC(=O)C(=O)Nc2cc(Br)c(C)cc2C)c1 ZINC000188099755 645107335 /nfs/dbraw/zinc/10/73/35/645107335.db2.gz XVEHCHZUAXCNLK-UHFFFAOYSA-N 0 0 379.258 2.326 10 0 GEAERN O=C(c1cc(Br)c(F)cc1F)N1CCO[C@H](Cn2cccn2)C1 ZINC000192098413 645192697 /nfs/dbraw/zinc/19/26/97/645192697.db2.gz YAMIBSXEEKXGNR-JTQLQIEISA-N 0 0 386.196 2.465 10 0 GEAERN CCc1noc([C@@H](C)N2CCN(C(=O)c3ncccc3Br)CC2)n1 ZINC000193238352 645253912 /nfs/dbraw/zinc/25/39/12/645253912.db2.gz MWIABODCMDPFTL-LLVKDONJSA-N 0 0 394.273 2.309 10 0 GEAERN Cc1nc(NC(=O)C(=O)N2CCC(c3cc[nH]n3)CC2)ccc1Br ZINC000193321552 645267233 /nfs/dbraw/zinc/26/72/33/645267233.db2.gz CTRHBPONQQRULK-UHFFFAOYSA-N 0 0 392.257 2.220 10 0 GEAERN Cc1nc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)ccc1Br ZINC000193576687 645286030 /nfs/dbraw/zinc/28/60/30/645286030.db2.gz RALJXIQFALNJDP-YVEFUNNKSA-N 0 0 396.285 2.245 10 0 GEAERN Cc1cc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)ncc1Br ZINC000193576873 645286065 /nfs/dbraw/zinc/28/60/65/645286065.db2.gz NZDITSYNDDOHIU-YVEFUNNKSA-N 0 0 396.285 2.245 10 0 GEAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(Cc1ccccc1Br)CC(C)C ZINC000193581409 645286512 /nfs/dbraw/zinc/28/65/12/645286512.db2.gz HDBZIYYFPMESKT-NVXWUHKLSA-N 0 0 397.313 2.415 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)[C@H]1Cc3cc(Br)ccc3O1)CC2 ZINC000194317196 645321070 /nfs/dbraw/zinc/32/10/70/645321070.db2.gz MRDISVNZWRTUHV-TZMCWYRMSA-N 0 0 391.269 2.038 10 0 GEAERN CCc1nnc(CSc2nnc(-c3ccccc3Br)n2N)n1C ZINC000194648453 645339593 /nfs/dbraw/zinc/33/95/93/645339593.db2.gz BHHMOIFWXFTJPA-UHFFFAOYSA-N 0 0 394.302 2.405 10 0 GEAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)NCC2(SC)CC2)CC1 ZINC000195146403 645357259 /nfs/dbraw/zinc/35/72/59/645357259.db2.gz NPEIUQFUKODPAC-UHFFFAOYSA-N 0 0 385.965 2.359 10 0 GEAERN Cc1ccc([C@@H](C)NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)o1 ZINC000198924119 645383375 /nfs/dbraw/zinc/38/33/75/645383375.db2.gz QQDBJQGXTMKREA-GFCCVEGCSA-N 0 0 384.479 2.161 10 0 GEAERN O=C(c1nn2c(c1Br)OCCC2)N1CCN(c2ccccc2)CC1 ZINC000223793147 645387756 /nfs/dbraw/zinc/38/77/56/645387756.db2.gz SWJCGWNLZRTZKD-UHFFFAOYSA-N 0 0 391.269 2.391 10 0 GEAERN COC(=O)[C@@H]1CN(C(=O)c2ccc(F)cc2I)C[C@@H]1C ZINC000228302783 645395851 /nfs/dbraw/zinc/39/58/51/645395851.db2.gz BLJLORQVCYHKRF-GZMMTYOYSA-N 0 0 391.180 2.311 10 0 GEAERN Cc1nc(S(=O)(=O)N2C[C@H]3CCCN3C[C@H]2C)sc1Br ZINC000245547361 645460970 /nfs/dbraw/zinc/46/09/70/645460970.db2.gz XMZKTPHNRXARNU-PSASIEDQSA-N 0 0 380.333 2.071 10 0 GEAERN C[C@H]1CN(Cc2cc3c(cc2Br)OCCO3)C[C@H]1N1CCOCC1 ZINC000246365063 645481383 /nfs/dbraw/zinc/48/13/83/645481383.db2.gz HBHIBYBSCFSIKU-XJKSGUPXSA-N 0 0 397.313 2.373 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)c2cc(C(C)=O)ccc2Cl)C[C@H]1C ZINC000246361790 645481490 /nfs/dbraw/zinc/48/14/90/645481490.db2.gz KFWZLXPKIQRRIX-CYBMUJFWSA-N 0 0 388.917 2.274 10 0 GEAERN C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)C[C@H]1N1CCOCC1 ZINC000246607620 645487317 /nfs/dbraw/zinc/48/73/17/645487317.db2.gz WLJBXNUDMQYFFP-BXUZGUMPSA-N 0 0 379.309 2.335 10 0 GEAERN Cn1cc([C@@H]2CCN([C@@H](C(N)=O)c3ccc(Br)cc3F)C2)cn1 ZINC000246709188 645489627 /nfs/dbraw/zinc/48/96/27/645489627.db2.gz LCMWKXZDEFHIIA-MEBBXXQBSA-N 0 0 381.249 2.338 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@H](OC)c1cccc(Cl)c1 ZINC000247057567 645503413 /nfs/dbraw/zinc/50/34/13/645503413.db2.gz ZZKIGHVVUBYOFM-JKSUJKDBSA-N 0 0 388.917 2.348 10 0 GEAERN C[C@H](C(=O)Nc1cccc(Br)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247733334 645516679 /nfs/dbraw/zinc/51/66/79/645516679.db2.gz MKXCFRDYXSNETK-CZUORRHYSA-N 0 0 393.285 2.374 10 0 GEAERN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[C@H](O)COc1ccc(Br)cc1 ZINC000247743246 645517442 /nfs/dbraw/zinc/51/74/42/645517442.db2.gz PIDZDULLHJHZKA-NWANDNLSSA-N 0 0 380.238 2.140 10 0 GEAERN O[C@H](CN1CCO[C@H](Cn2cccn2)C1)c1ccc(F)c(Br)c1 ZINC000248420928 645525115 /nfs/dbraw/zinc/52/51/15/645525115.db2.gz ALYZRWCBARJBCC-XJKSGUPXSA-N 0 0 384.249 2.219 10 0 GEAERN Cc1csc([C@@H]2CN([C@H](C)C(=O)Nc3sccc3C(N)=O)CCO2)n1 ZINC000249807276 645561048 /nfs/dbraw/zinc/56/10/48/645561048.db2.gz BOCVLCFOVWFMQM-PWSUYJOCSA-N 0 0 380.495 2.012 10 0 GEAERN NCc1nc(CN2CCC[C@@H]2c2ccc(I)cc2)no1 ZINC000262262605 645623079 /nfs/dbraw/zinc/62/30/79/645623079.db2.gz RJFLSEPISKZZJF-GFCCVEGCSA-N 0 0 384.221 2.470 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000262495385 645633613 /nfs/dbraw/zinc/63/36/13/645633613.db2.gz ZJDNGDFBDOMWCI-UHFFFAOYSA-N 0 0 381.281 2.209 10 0 GEAERN Cc1cc(Br)oc1C(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000262707570 645641521 /nfs/dbraw/zinc/64/15/21/645641521.db2.gz KCCLGAKFRPVKND-UHFFFAOYSA-N 0 0 385.258 2.408 10 0 GEAERN CC(=O)NC1CN(C(=O)c2ccc(Br)cc2Br)C1 ZINC000276241610 646370747 /nfs/dbraw/zinc/37/07/47/646370747.db2.gz KHUTXCWCHWGVFQ-UHFFFAOYSA-N 0 0 376.048 2.172 10 0 GEAERN C[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cc(Cl)ccc1I ZINC000282172513 646817983 /nfs/dbraw/zinc/81/79/83/646817983.db2.gz QWFXRPOVBQFKAX-WRWORJQWSA-N 0 0 392.624 2.342 10 0 GEAERN Cn1ncc(C(=O)N[C@H]2CCOc3ccccc32)c1I ZINC000292749252 647209158 /nfs/dbraw/zinc/20/91/58/647209158.db2.gz KAXPRLRMXFFJTJ-NSHDSACASA-N 0 0 383.189 2.278 10 0 GEAERN CCc1noc([C@]2(O)CCN(S(=O)(=O)/C=C/c3ccccc3Cl)C2)n1 ZINC000328615482 647311049 /nfs/dbraw/zinc/31/10/49/647311049.db2.gz YPSKTKZOQLCQNP-JCVNQNCUSA-N 0 0 383.857 2.179 10 0 GEAERN CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@H]1c1ncc[nH]1 ZINC000328633967 647311356 /nfs/dbraw/zinc/31/13/56/647311356.db2.gz SYJVMSUWHGVRCC-LBPRGKRZSA-N 0 0 375.281 2.394 10 0 GEAERN Cc1cc(I)ccc1NC(=O)CN1C[C@@H](O)CC[C@@H]1C ZINC000399467158 647901625 /nfs/dbraw/zinc/90/16/25/647901625.db2.gz LIIZBPUDBCOCLD-AAEUAGOBSA-N 0 0 388.249 2.383 10 0 GEAERN CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2cc(Cl)ncc2Cl)[C@H](O)C1 ZINC000702798057 653320243 /nfs/dbraw/zinc/32/02/43/653320243.db2.gz RPBHZZAZJGVXHF-BXKDBHETSA-N 0 0 390.267 2.346 10 0 GEAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC000702849352 653320292 /nfs/dbraw/zinc/32/02/92/653320292.db2.gz BIZJKFAIDXAPNQ-GZMMTYOYSA-N 0 0 378.256 2.279 10 0 GEAERN COC(=O)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(I)o1 ZINC000864034149 653724655 /nfs/dbraw/zinc/72/46/55/653724655.db2.gz XCMMUNCBAPXBAU-JYKYSHPRSA-N 0 0 389.189 2.452 10 0 GEAERN Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1NC(=O)c1sc(N(C)C)nc1Cl ZINC000913086526 654782100 /nfs/dbraw/zinc/78/21/00/654782100.db2.gz UWRMJFBKXZAZNI-ZYHUDNBSSA-N 0 0 383.905 2.473 10 0 GEAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)Nc1nnc(C(F)(F)F)s1)CC2 ZINC000151640564 531513302 /nfs/dbraw/zinc/51/33/02/531513302.db2.gz WASJZUQJHIKSMY-SSDOTTSWSA-N 0 0 375.380 2.408 10 0 GEAERN C[C@H]1CN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)C[C@@H]1N1CCOCC1 ZINC000151724265 531517034 /nfs/dbraw/zinc/51/70/34/531517034.db2.gz ZXXVDDDHQMNICI-LRDDRELGSA-N 0 0 393.336 2.476 10 0 GEAERN Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)c1ccccc1Br ZINC000151424905 531500183 /nfs/dbraw/zinc/50/01/83/531500183.db2.gz WQQRFXBIYLGXNM-QMMMGPOBSA-N 0 0 387.255 2.489 10 0 GEAERN Cc1ccc(NC(=O)N2CCO[C@@H](Cn3cccn3)C2)c(Br)n1 ZINC000151457404 531502010 /nfs/dbraw/zinc/50/20/10/531502010.db2.gz JINFCWCGDWZXKE-GFCCVEGCSA-N 0 0 380.246 2.282 10 0 GEAERN Cc1ccc(Br)c(NC(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000153100568 531588755 /nfs/dbraw/zinc/58/87/55/531588755.db2.gz GODWYJGAOJWFOO-GFCCVEGCSA-N 0 0 391.269 2.446 10 0 GEAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1ccc(C(F)(F)F)cc1Cl ZINC000153816525 531609836 /nfs/dbraw/zinc/60/98/36/531609836.db2.gz YZUYFVGFOZJOTK-SECBINFHSA-N 0 0 380.779 2.244 10 0 GEAERN COc1ccc(Br)c(C(=O)NCCCNC(=O)[C@H]2CC[C@@H](C)O2)c1 ZINC000153825177 531610601 /nfs/dbraw/zinc/61/06/01/531610601.db2.gz CLNMKGUIQZIMRX-IAQYHMDHSA-N 0 0 399.285 2.261 10 0 GEAERN Cc1csc([C@@H]2CCCN(C(=O)c3coc(S(=O)(=O)N(C)C)c3)C2)n1 ZINC000153983409 531617298 /nfs/dbraw/zinc/61/72/98/531617298.db2.gz XRNUWVYGYABWOD-GFCCVEGCSA-N 0 0 383.495 2.315 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cc(C)ccc1Br ZINC000154377621 531623200 /nfs/dbraw/zinc/62/32/00/531623200.db2.gz HOCGSIFRRKHYHW-GFCCVEGCSA-N 0 0 392.257 2.247 10 0 GEAERN C[C@H](NS(=O)(=O)c1c(F)cccc1F)c1ccc(S(C)(=O)=O)cc1 ZINC000030501629 531637089 /nfs/dbraw/zinc/63/70/89/531637089.db2.gz FLJWECWHZRCVHA-JTQLQIEISA-N 0 0 375.418 2.408 10 0 GEAERN C[C@H](NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)c1cccc(Br)c1 ZINC000030465340 531637735 /nfs/dbraw/zinc/63/77/35/531637735.db2.gz PATHUXDOUVDJDH-FZMZJTMJSA-N 0 0 389.315 2.440 10 0 GEAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1ccc(Br)cc1 ZINC000155030033 531652317 /nfs/dbraw/zinc/65/23/17/531652317.db2.gz SCDFQOOUDSHRLZ-ZDUSSCGKSA-N 0 0 379.258 2.381 10 0 GEAERN CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000155270253 531670907 /nfs/dbraw/zinc/67/09/07/531670907.db2.gz UIVRYJYDGFLKNK-MFKMUULPSA-N 0 0 385.258 2.470 10 0 GEAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Cc1ccc(Br)s1 ZINC000155215047 531664707 /nfs/dbraw/zinc/66/47/07/531664707.db2.gz YOYJVKBGJSNKOG-SNVBAGLBSA-N 0 0 385.287 2.442 10 0 GEAERN O=C(N[C@@H]1CCc2ncnn2C1)NC1(c2cccc(Br)c2)CC1 ZINC000155359409 531677728 /nfs/dbraw/zinc/67/77/28/531677728.db2.gz JTBXDSJIWBHEIA-CYBMUJFWSA-N 0 0 376.258 2.344 10 0 GEAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)Cc1ccccc1Br ZINC000155450530 531685149 /nfs/dbraw/zinc/68/51/49/531685149.db2.gz LVIHITQEMUWCEM-CYBMUJFWSA-N 0 0 379.258 2.381 10 0 GEAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc(C)c2Br)C1 ZINC000155870707 531702937 /nfs/dbraw/zinc/70/29/37/531702937.db2.gz ZGQZDZGJADPXPT-LLVKDONJSA-N 0 0 376.272 2.331 10 0 GEAERN CC(C)[C@H](NC(=O)c1ccc(Br)cc1Br)C(N)=O ZINC000156291603 531727758 /nfs/dbraw/zinc/72/77/58/531727758.db2.gz HKZIKFCSCNJMJB-JTQLQIEISA-N 0 0 378.064 2.451 10 0 GEAERN C[C@H](N[C@@H](C(N)=O)c1cccc(Br)c1)c1nnc2n1CCCC2 ZINC000162182960 531836908 /nfs/dbraw/zinc/83/69/08/531836908.db2.gz BSKIAQKRYLTAPC-IINYFYTJSA-N 0 0 378.274 2.254 10 0 GEAERN COC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)cc1Cl ZINC000162736880 531849374 /nfs/dbraw/zinc/84/93/74/531849374.db2.gz SGDRPQRVAHVVHQ-LLVKDONJSA-N 0 0 389.633 2.205 10 0 GEAERN C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c2ccccc21 ZINC000162318718 531842437 /nfs/dbraw/zinc/84/24/37/531842437.db2.gz ZJZFICPWBAHEKV-SJKOYZFVSA-N 0 0 380.491 2.251 10 0 GEAERN COC(=O)[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(C)cc1Br ZINC000163584567 531861142 /nfs/dbraw/zinc/86/11/42/531861142.db2.gz SSEICLTWOSHDSC-CYBMUJFWSA-N 0 0 383.242 2.250 10 0 GEAERN COC(=O)[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(F)cc1Br ZINC000163572175 531861297 /nfs/dbraw/zinc/86/12/97/531861297.db2.gz GNHXPLPCYUFDSS-GFCCVEGCSA-N 0 0 387.205 2.081 10 0 GEAERN COC(=O)[C@H]1CCCCN1C(=O)C(=O)Nc1cc(C)ccc1Br ZINC000163586165 531861626 /nfs/dbraw/zinc/86/16/26/531861626.db2.gz FCLPADPENPKAQB-CYBMUJFWSA-N 0 0 383.242 2.250 10 0 GEAERN CS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000168867426 531880828 /nfs/dbraw/zinc/88/08/28/531880828.db2.gz RLZVRGPHQPPZIH-KBPBESRZSA-N 0 0 378.416 2.090 10 0 GEAERN CC(C)c1nnc(CN(C)CC(=O)Nc2ccc(Br)cn2)n1C ZINC000170916435 531894059 /nfs/dbraw/zinc/89/40/59/531894059.db2.gz ANPBFXOUWPTPMJ-UHFFFAOYSA-N 0 0 381.278 2.167 10 0 GEAERN O=C(NCCS(=O)(=O)NCC1CCC1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000069046498 531908952 /nfs/dbraw/zinc/90/89/52/531908952.db2.gz HXAMUAYVXZZPBD-CHWSQXEVSA-N 0 0 385.452 2.126 10 0 GEAERN Cn1cc([C@H]2[C@H](C(=O)NCCc3ccc(Cl)s3)CCC(=O)N2C)cn1 ZINC000172139070 531936350 /nfs/dbraw/zinc/93/63/50/531936350.db2.gz XPICBNHATNRAEW-CJNGLKHVSA-N 0 0 380.901 2.403 10 0 GEAERN O=C(Nc1nc2c(s1)COCC2)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000172298071 531944927 /nfs/dbraw/zinc/94/49/27/531944927.db2.gz JCGWNKNXZJBVSM-RKDXNWHRSA-N 0 0 377.388 2.392 10 0 GEAERN COCCN1CCN(C(=O)NCc2cc(F)ccc2Br)C[C@H]1C ZINC000172328985 531945566 /nfs/dbraw/zinc/94/55/66/531945566.db2.gz SVVLVDTVLGVGIH-GFCCVEGCSA-N 0 0 388.281 2.450 10 0 GEAERN COCCN1CCN(C(=O)NCc2sccc2Br)C[C@H]1C ZINC000172331855 531946676 /nfs/dbraw/zinc/94/66/76/531946676.db2.gz XMUZNJXNKDDMFR-LLVKDONJSA-N 0 0 376.320 2.373 10 0 GEAERN COCCN1CCN(C(=O)NCCc2ccc(Br)s2)C[C@H]1C ZINC000172323780 531946703 /nfs/dbraw/zinc/94/67/03/531946703.db2.gz MIXLNTMUDIDDBS-GFCCVEGCSA-N 0 0 390.347 2.415 10 0 GEAERN COCCN1CCN(C(=O)NCCc2ccc(Br)cc2)C[C@@H]1C ZINC000172338697 531948294 /nfs/dbraw/zinc/94/82/94/531948294.db2.gz YYGDLBOPTOBIRE-AWEZNQCLSA-N 0 0 384.318 2.354 10 0 GEAERN CCOc1c(Br)cc(C(=O)N[C@H]2CCc3ncnn3C2)cc1OC ZINC000112649492 531949506 /nfs/dbraw/zinc/94/95/06/531949506.db2.gz NYRYQTPHXIIBIA-NSHDSACASA-N 0 0 395.257 2.193 10 0 GEAERN O=C(c1cc2c(c(Br)c1)OCO2)N1CCC[C@@H](Cn2cncn2)C1 ZINC000172400284 531951436 /nfs/dbraw/zinc/95/14/36/531951436.db2.gz DRGUACVVRWVZIB-LLVKDONJSA-N 0 0 393.241 2.322 10 0 GEAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(C)cc1Br)CC2 ZINC000114874349 531957572 /nfs/dbraw/zinc/95/75/72/531957572.db2.gz XWVPSYOFGJGIHT-LLVKDONJSA-N 0 0 399.314 2.205 10 0 GEAERN O=C(NCC1(c2cccc(Br)c2)CC1)N[C@@H]1CCc2ncnn2C1 ZINC000115836874 531959406 /nfs/dbraw/zinc/95/94/06/531959406.db2.gz DIUWDYPGGMXBIP-CQSZACIVSA-N 0 0 390.285 2.386 10 0 GEAERN CC(C)n1nccc1NC(=O)CSc1nnc2n1c1ccccc1c(=O)n2C ZINC000008353361 209775584 /nfs/dbraw/zinc/77/55/84/209775584.db2.gz GYVZZDVLZVQPCI-UHFFFAOYSA-N 0 0 397.464 2.089 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)Oc1cccc(Cl)c1 ZINC000172835661 531969171 /nfs/dbraw/zinc/96/91/71/531969171.db2.gz AJDJVZFYWXKQKN-CZUORRHYSA-N 0 0 388.917 2.428 10 0 GEAERN C[C@@H](COCc1ccccc1)NC(=O)CCNS(=O)(=O)c1cccs1 ZINC000172966048 531975826 /nfs/dbraw/zinc/97/58/26/531975826.db2.gz PCLOIVNZMKENIZ-AWEZNQCLSA-N 0 0 382.507 2.138 10 0 GEAERN C[C@@H](COCc1ccccc1)NC(=O)c1sccc1S(=O)(=O)N(C)C ZINC000172968985 531976469 /nfs/dbraw/zinc/97/64/69/531976469.db2.gz QZLGTYMXOCMSDP-ZDUSSCGKSA-N 0 0 382.507 2.334 10 0 GEAERN CC(C)c1nc([C@H]2CCCN2C(=O)Cn2cc(Br)ccc2=O)no1 ZINC000173079875 531986275 /nfs/dbraw/zinc/98/62/75/531986275.db2.gz WOKSSCUNDUWVPQ-GFCCVEGCSA-N 0 0 395.257 2.481 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)CCc3cc(Br)cs3)CCO2)[nH]1 ZINC000173088832 531986397 /nfs/dbraw/zinc/98/63/97/531986397.db2.gz JLWPPPVWOZQDQU-GFCCVEGCSA-N 0 0 385.287 2.470 10 0 GEAERN Cc1cc(-c2nnc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)o2)n(C)n1 ZINC000035595001 209767520 /nfs/dbraw/zinc/76/75/20/209767520.db2.gz CKXBLDILSTYOEU-AWEZNQCLSA-N 0 0 394.435 2.387 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)Cc3csc(-c4cccs4)n3)CCO2)[nH]1 ZINC000173535234 532016128 /nfs/dbraw/zinc/01/61/28/532016128.db2.gz BNRFQBFSXUAEKO-GFCCVEGCSA-N 0 0 375.479 2.441 10 0 GEAERN Cn1cc([C@@H]2CCN(C(=O)COc3ccc(C=O)cc3Br)C2)cn1 ZINC000173513884 532016307 /nfs/dbraw/zinc/01/63/07/532016307.db2.gz FQKCYWXMJFRCBV-CYBMUJFWSA-N 0 0 392.253 2.390 10 0 GEAERN COc1cc(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2O)ccc1Br ZINC000121294054 532022369 /nfs/dbraw/zinc/02/23/69/532022369.db2.gz HEDSPVSRHONONF-GWCFXTLKSA-N 0 0 378.288 2.287 10 0 GEAERN Cc1nnc([C@@H]2CN(CC(=O)Nc3ccc(Br)cc3C)CCO2)[nH]1 ZINC000173715877 532028182 /nfs/dbraw/zinc/02/81/82/532028182.db2.gz XFOOFZHYISRKKW-AWEZNQCLSA-N 0 0 394.273 2.196 10 0 GEAERN C[C@H]1CN(C(=O)Cc2ccc(F)c(Br)c2)C[C@H]1N1CCOCC1 ZINC000173813237 532035125 /nfs/dbraw/zinc/03/51/25/532035125.db2.gz HHUUECFHQCBZOG-BLLLJJGKSA-N 0 0 385.277 2.310 10 0 GEAERN C[C@H](Cc1cccc(Br)c1)NC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173793416 532033459 /nfs/dbraw/zinc/03/34/59/532033459.db2.gz XDSURGFLXSITNN-PBHICJAKSA-N 0 0 396.329 2.496 10 0 GEAERN C[C@H]1CN(C(=O)c2cccnc2SC(F)(F)F)C[C@H]1N1CCOCC1 ZINC000173972761 532043229 /nfs/dbraw/zinc/04/32/29/532043229.db2.gz AMQXEVLDZHJING-WCQYABFASA-N 0 0 375.416 2.486 10 0 GEAERN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000174000238 532044867 /nfs/dbraw/zinc/04/48/67/532044867.db2.gz QZGDHPNMOCRAAO-ZDUSSCGKSA-N 0 0 379.309 2.230 10 0 GEAERN COc1cccc2c1cc1c(=O)n(CC(=O)NCc3ccc(F)cc3)nc(C)n12 ZINC000006749758 209678274 /nfs/dbraw/zinc/67/82/74/209678274.db2.gz XGRHKUMEICKXJX-UHFFFAOYSA-N 0 0 394.406 2.422 10 0 GEAERN Cc1nnc([C@@H]2CN(C[C@H](O)COc3cc(Cl)ccc3Cl)CCO2)[nH]1 ZINC000174098382 532049362 /nfs/dbraw/zinc/04/93/62/532049362.db2.gz JASSEHJZOLAFSX-WFASDCNBSA-N 0 0 387.267 2.233 10 0 GEAERN C[C@H](N[C@H](C(N)=O)c1ccc(Br)cc1F)c1nnc2n1CCCC2 ZINC000174297225 532060145 /nfs/dbraw/zinc/06/01/45/532060145.db2.gz XICMVJXJJFCYCV-XPTSAGLGSA-N 0 0 396.264 2.393 10 0 GEAERN Cc1cc(N2CCC[C@H](NC(=O)c3cc(Cl)c(Cl)n3C)C2=O)n(C)n1 ZINC000174996465 532085689 /nfs/dbraw/zinc/08/56/89/532085689.db2.gz RJPCITNBTISZCO-NSHDSACASA-N 0 0 384.267 2.299 10 0 GEAERN Cc1cc(N2CCC[C@@H](NC(=O)c3cnc(Cl)c(Cl)c3)C2=O)n(C)n1 ZINC000174980417 532085906 /nfs/dbraw/zinc/08/59/06/532085906.db2.gz QRWNADXJZOIPTN-GFCCVEGCSA-N 0 0 382.251 2.356 10 0 GEAERN C[C@@H]1CN(C(=O)NCc2cc(Br)cs2)C[C@@H]1N1CCOCC1 ZINC000175687847 532111618 /nfs/dbraw/zinc/11/16/18/532111618.db2.gz MYQWHNCMRUSENE-RISCZKNCSA-N 0 0 388.331 2.373 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)NCc3ccc(Br)c(F)c3)CCO2)[nH]1 ZINC000175464618 532103840 /nfs/dbraw/zinc/10/38/40/532103840.db2.gz GYDBOBFWWUDEEW-CYBMUJFWSA-N 0 0 398.236 2.298 10 0 GEAERN C[C@H]1CN(C(=O)NCc2ccc(Br)s2)C[C@H]1N1CCOCC1 ZINC000175684200 532111759 /nfs/dbraw/zinc/11/17/59/532111759.db2.gz CRFVPXJDIQHVOS-WCQYABFASA-N 0 0 388.331 2.373 10 0 GEAERN C[C@@H](NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1ccc(OC(F)(F)F)cc1 ZINC000123486919 532100563 /nfs/dbraw/zinc/10/05/63/532100563.db2.gz GCTHWBNMQORQCX-ZYHUDNBSSA-N 0 0 380.388 2.475 10 0 GEAERN C[S@](=O)c1ccc(CNS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)cc1 ZINC000175875880 532117902 /nfs/dbraw/zinc/11/79/02/532117902.db2.gz ZSLTZPRXRKNFRV-AXMJJZENSA-N 0 0 383.535 2.239 10 0 GEAERN CCc1nnc([C@H]2CN(S(=O)(=O)Cc3cc(Cl)ccc3F)CCO2)[nH]1 ZINC000124359444 532119939 /nfs/dbraw/zinc/11/99/39/532119939.db2.gz IXKCYIFTTKHPLS-CYBMUJFWSA-N 0 0 388.852 2.063 10 0 GEAERN C[C@H]1CN(C(=O)NCCc2ccc(Br)cc2)C[C@H]1N1CCOCC1 ZINC000175792218 532114738 /nfs/dbraw/zinc/11/47/38/532114738.db2.gz KPMYWCFJFLKMFB-WMLDXEAASA-N 0 0 396.329 2.354 10 0 GEAERN COc1ccc(Br)cc1CNC(=O)N[C@@H]1CCCn2ncnc21 ZINC000176467404 532139252 /nfs/dbraw/zinc/13/92/52/532139252.db2.gz GCPJDHPSTXCLNV-GFCCVEGCSA-N 0 0 380.246 2.384 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cc(C)c(Br)cn1 ZINC000176076636 532124958 /nfs/dbraw/zinc/12/49/58/532124958.db2.gz IMYRWSCPGYJRNP-GFCCVEGCSA-N 0 0 390.303 2.295 10 0 GEAERN O=C(N[C@H]1CCCn2ncnc21)c1c(F)cccc1I ZINC000124620613 532125952 /nfs/dbraw/zinc/12/59/52/532125952.db2.gz UHJPERIELBAVFT-JTQLQIEISA-N 0 0 386.168 2.287 10 0 GEAERN Cc1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000176213369 532129934 /nfs/dbraw/zinc/12/99/34/532129934.db2.gz YRJNWJVRYHYDAH-GFCCVEGCSA-N 0 0 379.404 2.033 10 0 GEAERN CNc1cc(N2CCC[C@H]2CNc2ncc(Br)c(OC)n2)ncn1 ZINC000176248190 532131299 /nfs/dbraw/zinc/13/12/99/532131299.db2.gz QVHKYNHQMOMRAO-JTQLQIEISA-N 0 0 394.277 2.160 10 0 GEAERN CC[C@@H](NC(=O)N[C@H](C)c1ccccc1Br)C(=O)N1CCOCC1 ZINC000176349963 532135296 /nfs/dbraw/zinc/13/52/96/532135296.db2.gz SEMADGKAWDDXGI-IUODEOHRSA-N 0 0 398.301 2.447 10 0 GEAERN CCCc1cnc(NC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)s1 ZINC000126774776 532151070 /nfs/dbraw/zinc/15/10/70/532151070.db2.gz HTLDRRMWGPNRPA-JTQLQIEISA-N 0 0 378.479 2.161 10 0 GEAERN CCn1ccnc1CS(=O)(=O)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000176910372 532155061 /nfs/dbraw/zinc/15/50/61/532155061.db2.gz MALLUWAEWAZWPP-UHFFFAOYSA-N 0 0 375.903 2.191 10 0 GEAERN O=S(=O)(/C=C/c1cccc(Br)c1)N[C@H]1CCCn2ncnc21 ZINC000176743788 532148470 /nfs/dbraw/zinc/14/84/70/532148470.db2.gz QFAOCQYYIMRGRG-CFNZNRNTSA-N 0 0 383.271 2.466 10 0 GEAERN C[C@H]1CN(Cc2nnc(-c3ccc(Br)o3)o2)C[C@@H]1N1CCOCC1 ZINC000177227548 532165115 /nfs/dbraw/zinc/16/51/15/532165115.db2.gz JPGHYHHMQGMVGQ-RYUDHWBXSA-N 0 0 397.273 2.245 10 0 GEAERN Cc1nc(NC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)ccc1Br ZINC000128789499 532168337 /nfs/dbraw/zinc/16/83/37/532168337.db2.gz QEZFVSARKQVHJM-RISCZKNCSA-N 0 0 383.290 2.337 10 0 GEAERN COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Br)ccc2C)C1 ZINC000177134722 532162806 /nfs/dbraw/zinc/16/28/06/532162806.db2.gz AZYQDGJHPLKNST-LLVKDONJSA-N 0 0 383.242 2.108 10 0 GEAERN O=C(Nc1c(F)cc(Br)cc1F)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000177181809 532163671 /nfs/dbraw/zinc/16/36/71/532163671.db2.gz HTLKEOZYNLZPQB-MNOVXSKESA-N 0 0 377.185 2.086 10 0 GEAERN O=C(NC[C@H]1CCCC[C@H]1O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000177734115 532181422 /nfs/dbraw/zinc/18/14/22/532181422.db2.gz NLFPCWRFODVJIR-BXUZGUMPSA-N 0 0 399.260 2.145 10 0 GEAERN CCS(=O)(=O)NCCNC(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000177821167 532184011 /nfs/dbraw/zinc/18/40/11/532184011.db2.gz FJPFRTYTWHHFNG-GXFFZTMASA-N 0 0 394.324 2.335 10 0 GEAERN COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000129398349 532177639 /nfs/dbraw/zinc/17/76/39/532177639.db2.gz KXAXHYRHSAGHSF-LBPRGKRZSA-N 0 0 388.852 2.339 10 0 GEAERN O=C(Nc1ccc(Br)nc1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000178110523 532193909 /nfs/dbraw/zinc/19/39/09/532193909.db2.gz SNMSAXGHQULJEK-GFCCVEGCSA-N 0 0 376.210 2.423 10 0 GEAERN C[C@H](Nc1ncnc2c1c(Br)nn2C)c1nnc2n1CCCC2 ZINC000131187073 532194429 /nfs/dbraw/zinc/19/44/29/532194429.db2.gz HGPYNQUEVHAGFV-QMMMGPOBSA-N 0 0 377.250 2.227 10 0 GEAERN CC(C)n1nnnc1C[S@@](=O)CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000131372768 532197030 /nfs/dbraw/zinc/19/70/30/532197030.db2.gz NBSVYYOFGYSVTJ-YDBLSZJJSA-N 0 0 383.905 2.376 10 0 GEAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000131881839 532205344 /nfs/dbraw/zinc/20/53/44/532205344.db2.gz MTOBBEDGAFTIAY-GWCFXTLKSA-N 0 0 377.242 2.157 10 0 GEAERN NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N[C@H]2CCOc3ccccc32)c1 ZINC000178804462 532213089 /nfs/dbraw/zinc/21/30/89/532213089.db2.gz YMJIFXMLRMEWCL-ZDUSSCGKSA-N 0 0 384.816 2.380 10 0 GEAERN CNC(=O)[C@H](NS(=O)(=O)c1ccc(Br)cc1Cl)C(C)C ZINC000178924096 532217987 /nfs/dbraw/zinc/21/79/87/532217987.db2.gz YEUWULFUROHAQM-LLVKDONJSA-N 0 0 383.695 2.151 10 0 GEAERN O=C(Cc1ccccc1I)N1CCC[C@@H](n2cncn2)C1 ZINC000178919824 532218059 /nfs/dbraw/zinc/21/80/59/532218059.db2.gz CCGWPEVYKLPXQU-CYBMUJFWSA-N 0 0 396.232 2.289 10 0 GEAERN CNC(=O)[C@H](NC(=O)N1CCO[C@H](c2cccc(Br)c2)C1)C(C)C ZINC000178455627 532201936 /nfs/dbraw/zinc/20/19/36/532201936.db2.gz PVNOINHEWKTSNF-LSDHHAIUSA-N 0 0 398.301 2.303 10 0 GEAERN Cc1nccn1C[C@@H]1CCCN1C(=O)c1cnn2cc(Br)cnc12 ZINC000179730677 532241940 /nfs/dbraw/zinc/24/19/40/532241940.db2.gz HPBFWIPZLKUPRM-ZDUSSCGKSA-N 0 0 389.257 2.302 10 0 GEAERN CC[C@@H](O)CN1CCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000179818540 532244959 /nfs/dbraw/zinc/24/49/59/532244959.db2.gz AYIWPYPDOYIIGN-HZPDHXFCSA-N 0 0 375.296 2.332 10 0 GEAERN C[C@H](NC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1)[C@H]1CCCO1 ZINC000179816339 532245276 /nfs/dbraw/zinc/24/52/76/532245276.db2.gz KPKBXALKIOIEME-WRWORJQWSA-N 0 0 377.185 2.350 10 0 GEAERN C[C@H](NS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1)[C@@H]1CCCO1 ZINC000179907864 532250234 /nfs/dbraw/zinc/25/02/34/532250234.db2.gz IHFGTYCMKHOLAJ-JSGCOSHPSA-N 0 0 388.555 2.299 10 0 GEAERN O=C(c1c[nH]c(=O)c(Br)c1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000180073899 532256458 /nfs/dbraw/zinc/25/64/58/532256458.db2.gz SWXMQCUSRLCGDS-YGRLFVJLSA-N 0 0 399.191 2.364 10 0 GEAERN CCc1nnc(CS(=O)(=O)[C@H](C)C(=O)Nc2cc(Cl)ccc2C)n1C ZINC000180087949 532257200 /nfs/dbraw/zinc/25/72/00/532257200.db2.gz UCJCCCTWVHPOEE-LLVKDONJSA-N 0 0 384.889 2.281 10 0 GEAERN Cc1nc(S(=O)(=O)[N-][C@@H]2CN(C(C)C)C[C@@H]2C)sc1Br ZINC000180094765 532257249 /nfs/dbraw/zinc/25/72/49/532257249.db2.gz JJFSYYDFPQOWMY-WCBMZHEXSA-N 0 0 382.349 2.221 10 0 GEAERN C[C@@H](NC(=O)c1cc(Br)cnc1N(C)C)c1nnc2n1CCCC2 ZINC000135234339 532268946 /nfs/dbraw/zinc/26/89/46/532268946.db2.gz PDZBAUZOAFRCCD-SNVBAGLBSA-N 0 0 393.289 2.329 10 0 GEAERN O=C(COc1cccc(Br)c1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000135288328 532269515 /nfs/dbraw/zinc/26/95/15/532269515.db2.gz COLGJPAHZULZDA-CQSZACIVSA-N 0 0 391.269 2.403 10 0 GEAERN Cn1cc(NC(=O)N2CCC[C@@H]2Cn2ccnc2)cc(Br)c1=O ZINC000180535517 532274807 /nfs/dbraw/zinc/27/48/07/532274807.db2.gz NDTZAGDZJOQLDG-GFCCVEGCSA-N 0 0 380.246 2.041 10 0 GEAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cccnc2Br)ncn1 ZINC000136007114 532281542 /nfs/dbraw/zinc/28/15/42/532281542.db2.gz PXXHKFGRYMOJNR-NSHDSACASA-N 0 0 391.273 2.075 10 0 GEAERN CCc1noc([C@H](C)N2CCN(C(=O)c3cccc(Br)n3)CC2)n1 ZINC000180524570 532274334 /nfs/dbraw/zinc/27/43/34/532274334.db2.gz SRWGTLCUNKALIC-NSHDSACASA-N 0 0 394.273 2.309 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccc(O)c(Br)c1)CC2 ZINC000140829973 532294934 /nfs/dbraw/zinc/29/49/34/532294934.db2.gz COSOOSYCFIJZKD-NSHDSACASA-N 0 0 394.273 2.123 10 0 GEAERN CNC(=O)[C@@H]1CN(C(=O)N[C@H](C)c2c(Cl)ccc(F)c2Cl)CCO1 ZINC000181573925 532302163 /nfs/dbraw/zinc/30/21/63/532302163.db2.gz VYZRHGQTOMCLRG-KCJUWKMLSA-N 0 0 378.231 2.350 10 0 GEAERN CNC(=O)[C@@H]1CN(C(=O)N[C@@H](C)c2c(Cl)ccc(F)c2Cl)CCO1 ZINC000181573913 532302341 /nfs/dbraw/zinc/30/23/41/532302341.db2.gz VYZRHGQTOMCLRG-KWQFWETISA-N 0 0 378.231 2.350 10 0 GEAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1sccc1S(=O)(=O)C(F)F ZINC000151107590 532307184 /nfs/dbraw/zinc/30/71/84/532307184.db2.gz KZBBEFHNXYLJGV-QMMMGPOBSA-N 0 0 390.437 2.163 10 0 GEAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1cccc(Br)n1 ZINC000182581139 532315185 /nfs/dbraw/zinc/31/51/85/532315185.db2.gz GGHOTVIDDCHHNJ-LLVKDONJSA-N 0 0 381.251 2.493 10 0 GEAERN Cc1cc(NC(=O)C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cnc1Br ZINC000182839343 532318754 /nfs/dbraw/zinc/31/87/54/532318754.db2.gz NTPAENJPYOSQNJ-SJKOYZFVSA-N 0 0 396.285 2.245 10 0 GEAERN COc1ccc(C(=O)N[C@@H](C)c2nnc3n2CCCC3)nc1Br ZINC000183275669 532322653 /nfs/dbraw/zinc/32/26/53/532322653.db2.gz BQGWWIYOEXDFJZ-VIFPVBQESA-N 0 0 380.246 2.272 10 0 GEAERN COCC(=O)NC1CN(C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)C1 ZINC000185239046 532337422 /nfs/dbraw/zinc/33/74/22/532337422.db2.gz XPCLJYYGBPEEAY-UHFFFAOYSA-N 0 0 379.869 2.359 10 0 GEAERN COC(=O)[C@@]1(C)CCCN1CC(=O)N(C)Cc1cc(Br)cs1 ZINC000186398146 532340750 /nfs/dbraw/zinc/34/07/50/532340750.db2.gz KWAPYVMSEOOLLV-OAHLLOKOSA-N 0 0 389.315 2.497 10 0 GEAERN C[N@H+](CC(=O)[O-])C1CCN(CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000186674640 532341603 /nfs/dbraw/zinc/34/16/03/532341603.db2.gz LXFKBZJWDXDHRV-UHFFFAOYSA-N 0 0 398.301 2.259 10 0 GEAERN C[C@H](CNC(=O)NOCc1ccc(F)cc1Br)N1CCOCC1 ZINC000187133500 532343276 /nfs/dbraw/zinc/34/32/76/532343276.db2.gz ZPIMJTRUDJSQBW-LLVKDONJSA-N 0 0 390.253 2.040 10 0 GEAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2cc(Cl)ccc2Cl)n1 ZINC000183744037 532328298 /nfs/dbraw/zinc/32/82/98/532328298.db2.gz VLGNXPHWWVOJRW-LLVKDONJSA-N 0 0 378.237 2.447 10 0 GEAERN COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000184642269 532334046 /nfs/dbraw/zinc/33/40/46/532334046.db2.gz HGQMBNSQCGGFRS-ZWNOBZJWSA-N 0 0 385.258 2.388 10 0 GEAERN Brc1ccc2[nH]c(CN3CCO[C@@H](Cn4cccn4)C3)nc2c1 ZINC000184968327 532336398 /nfs/dbraw/zinc/33/63/98/532336398.db2.gz SZHRNKQZKDPTSP-CYBMUJFWSA-N 0 0 376.258 2.423 10 0 GEAERN O=C(NC1CN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C1)C1CCC1 ZINC000188193720 532347309 /nfs/dbraw/zinc/34/73/09/532347309.db2.gz YQWUZGMCDCYPDS-UHFFFAOYSA-N 0 0 381.256 2.422 10 0 GEAERN COC(=O)[C@@]1(C)CCCN1S(=O)(=O)c1ccc(C)cc1Br ZINC000188207727 532347424 /nfs/dbraw/zinc/34/74/24/532347424.db2.gz RSMKRQKILXDQMB-CQSZACIVSA-N 0 0 376.272 2.474 10 0 GEAERN O=C(NC1CN(C(=O)c2csc(I)c2)C1)C1CCC1 ZINC000188517143 532348555 /nfs/dbraw/zinc/34/85/55/532348555.db2.gz BTQFVJRJCCIEPQ-UHFFFAOYSA-N 0 0 390.246 2.093 10 0 GEAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCC[C@H]1c1cccc(Br)c1 ZINC000188694060 532349210 /nfs/dbraw/zinc/34/92/10/532349210.db2.gz KZMNWRQWGDVTQI-OWCLPIDISA-N 0 0 381.270 2.094 10 0 GEAERN CCOc1c(Br)cc(C(=O)N2CC(NC(=O)C3CC3)C2)cc1OC ZINC000189495569 532352453 /nfs/dbraw/zinc/35/24/53/532352453.db2.gz QVGHBUQHAHHYAE-UHFFFAOYSA-N 0 0 397.269 2.207 10 0 GEAERN Cc1nc(C)n(C[C@@H]2CCCN(S(=O)(=O)c3ccc(C)nc3Cl)C2)n1 ZINC000189627819 532353007 /nfs/dbraw/zinc/35/30/07/532353007.db2.gz QGFDTHGRYBWDSB-CQSZACIVSA-N 0 0 383.905 2.353 10 0 GEAERN COC(=O)c1scc(C)c1S(=O)(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000190074344 532354683 /nfs/dbraw/zinc/35/46/83/532354683.db2.gz KCLAXZOJXOGCGW-CYBMUJFWSA-N 0 0 383.495 2.374 10 0 GEAERN CC(=O)NC1CN(C(=O)c2coc(-c3ccc(Br)cc3F)n2)C1 ZINC000190490981 532356334 /nfs/dbraw/zinc/35/63/34/532356334.db2.gz AQENWECKBLBXDL-UHFFFAOYSA-N 0 0 382.189 2.204 10 0 GEAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1cc(Br)ccc1Cl ZINC000190980782 532359036 /nfs/dbraw/zinc/35/90/36/532359036.db2.gz ORFHTJMBVVRNHN-MRVPVSSYSA-N 0 0 381.679 2.002 10 0 GEAERN O=C(Nc1ccc(Br)cn1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000191079516 532359511 /nfs/dbraw/zinc/35/95/11/532359511.db2.gz CPBKIQPVLVAOIR-LBPRGKRZSA-N 0 0 376.210 2.423 10 0 GEAERN C[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)C[C@H](C)O1 ZINC000191130530 532359640 /nfs/dbraw/zinc/35/96/40/532359640.db2.gz BAGVBZDEWCFQIW-YUMQZZPRSA-N 0 0 377.185 2.302 10 0 GEAERN Cc1c(Br)cccc1CC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000191590005 532361491 /nfs/dbraw/zinc/36/14/91/532361491.db2.gz RTTGMZMCCDUKPY-HNNXBMFYSA-N 0 0 378.270 2.424 10 0 GEAERN COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000192026049 532379811 /nfs/dbraw/zinc/37/98/11/532379811.db2.gz CWSHGJKRIAIWLL-CYBMUJFWSA-N 0 0 388.852 2.172 10 0 GEAERN Cc1csc([C@H]2CN(S(=O)(=O)Cc3noc4ccccc43)CCO2)n1 ZINC000193949748 532439073 /nfs/dbraw/zinc/43/90/73/532439073.db2.gz AZRUVPBXEFPMKG-OAHLLOKOSA-N 0 0 379.463 2.496 10 0 GEAERN CC(C)n1ccnc1CS(=O)(=O)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000194422053 532449054 /nfs/dbraw/zinc/44/90/54/532449054.db2.gz KEWITVMYERHZKR-GFCCVEGCSA-N 0 0 381.420 2.180 10 0 GEAERN CCc1nnc(C[S@@](=O)Cc2cn3cc(Br)ccc3n2)n1C ZINC000194268285 532446107 /nfs/dbraw/zinc/44/61/07/532446107.db2.gz IJGIZPXMOJZDTG-QFIPXVFZSA-N 0 0 382.287 2.237 10 0 GEAERN CCOC(=O)[C@@H](NC(=O)CC(=O)NCC(F)(F)F)c1ccc(Cl)cc1 ZINC000194759820 532455393 /nfs/dbraw/zinc/45/53/93/532455393.db2.gz MPJDMXZQVKMSPD-ZDUSSCGKSA-N 0 0 380.750 2.129 10 0 GEAERN CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000195048980 532465959 /nfs/dbraw/zinc/46/59/59/532465959.db2.gz KNYVSUGEBCHEOJ-NSHDSACASA-N 0 0 388.898 2.288 10 0 GEAERN COc1ccc(Br)cc1CS(=O)(=O)Cc1nnnn1C(C)C ZINC000195425895 532476603 /nfs/dbraw/zinc/47/66/03/532476603.db2.gz FTKULVRDIXWKRL-UHFFFAOYSA-N 0 0 389.275 2.140 10 0 GEAERN O=C(c1ccc(Br)cc1Br)N1CCO[C@H](CO)C1 ZINC000218833463 532483286 /nfs/dbraw/zinc/48/32/86/532483286.db2.gz NIBHYGLZJCZQKT-VIFPVBQESA-N 0 0 379.048 2.045 10 0 GEAERN Cc1cc(Br)ccc1NC(=O)CN1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246279599 532536545 /nfs/dbraw/zinc/53/65/45/532536545.db2.gz AHTHBWSTHNVVFG-PBHICJAKSA-N 0 0 396.329 2.349 10 0 GEAERN Cc1ccc(NC(=O)CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(Br)c1 ZINC000246634823 532543316 /nfs/dbraw/zinc/54/33/16/532543316.db2.gz ZSAUYNPAUYLKEK-PBHICJAKSA-N 0 0 396.329 2.349 10 0 GEAERN CCOCCN1CCN([C@H](C(N)=O)c2cccc(Br)c2)C[C@H]1C ZINC000245733967 532523354 /nfs/dbraw/zinc/52/33/54/532523354.db2.gz CRYZSMYCPPZZKV-CJNGLKHVSA-N 0 0 384.318 2.018 10 0 GEAERN CCn1cnnc1[C@@H]1CCCN([C@@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000245899479 532524717 /nfs/dbraw/zinc/52/47/17/532524717.db2.gz JYJKZPJQPCTWSK-UKRRQHHQSA-N 0 0 392.301 2.467 10 0 GEAERN O[C@H](COc1cccc(Br)c1)CN1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000246224385 532533692 /nfs/dbraw/zinc/53/36/92/532533692.db2.gz LVSBIJHEIPKXMR-USXIJHARSA-N 0 0 386.286 2.069 10 0 GEAERN CCCCN(C)S(=O)(=O)N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000248357857 532551003 /nfs/dbraw/zinc/55/10/03/532551003.db2.gz PZNFFLNGGCSYGS-OAHLLOKOSA-N 0 0 375.560 2.030 10 0 GEAERN CCCCN(C)S(=O)(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000248332650 532551432 /nfs/dbraw/zinc/55/14/32/532551432.db2.gz FKGIOSYNMBQMDJ-LSDHHAIUSA-N 0 0 375.560 2.076 10 0 GEAERN O=S(=O)(c1cc(Br)ccc1F)N1CCN2CCCC[C@H]2C1 ZINC000250292805 532569905 /nfs/dbraw/zinc/56/99/05/532569905.db2.gz VAXFSYGFZOBPEK-LBPRGKRZSA-N 0 0 377.279 2.447 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000262458028 532594339 /nfs/dbraw/zinc/59/43/39/532594339.db2.gz IKJSTOPZRINYLY-UHFFFAOYSA-N 0 0 395.308 2.350 10 0 GEAERN CCSc1cc(Cl)ccc1C(=O)N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000263139708 532617161 /nfs/dbraw/zinc/61/71/61/532617161.db2.gz MLKMZVYOLYABPZ-CYBMUJFWSA-N 0 0 386.901 2.309 10 0 GEAERN C[C@@H](Sc1ccccc1Cl)C(=O)N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262973449 532609584 /nfs/dbraw/zinc/60/95/84/532609584.db2.gz SGIRSBNRGLTEDJ-CHWSQXEVSA-N 0 0 386.901 2.064 10 0 GEAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(Cc2ccc(Cl)c(Br)c2)CCO1 ZINC000263529592 532630608 /nfs/dbraw/zinc/63/06/08/532630608.db2.gz VTQAYRXKBJHTBX-GFCCVEGCSA-N 0 0 391.693 2.320 10 0 GEAERN C[C@@H](Nc1cnn(C)c(=O)c1Br)c1ccc(S(C)(=O)=O)cc1 ZINC000301253135 532746322 /nfs/dbraw/zinc/74/63/22/532746322.db2.gz SIIVFDHTOJNFTL-SECBINFHSA-N 0 0 386.271 2.119 10 0 GEAERN CS(=O)(=O)CC1(CNc2ncnc3sc4c(c32)CCC4)CCOCC1 ZINC000301837857 532761728 /nfs/dbraw/zinc/76/17/28/532761728.db2.gz MYWIGVULRBCSPG-UHFFFAOYSA-N 0 0 381.523 2.433 10 0 GEAERN CC(C)Cn1cnnc1[C@@H]1CCCN1c1cnn(C)c(=O)c1Br ZINC000301334753 532748517 /nfs/dbraw/zinc/74/85/17/532748517.db2.gz BRKSCUXECOSHHZ-NSHDSACASA-N 0 0 381.278 2.132 10 0 GEAERN CCS[C@H]1CC[C@]1(O)CNc1ccc(S(N)(=O)=O)cc1C(F)(F)F ZINC000301479893 532752410 /nfs/dbraw/zinc/75/24/10/532752410.db2.gz DDFPSBGHWHMAOC-STQMWFEESA-N 0 0 384.445 2.411 10 0 GEAERN O=C(CSc1nnc(-c2ccccn2)n1Cc1ccccc1)N1CCOCC1 ZINC000001362424 209322194 /nfs/dbraw/zinc/32/21/94/209322194.db2.gz WSOPSHUGKXDBQS-UHFFFAOYSA-N 0 0 395.488 2.339 10 0 GEAERN NC(=O)C1CCN(C(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2)CC1 ZINC000000713320 209261795 /nfs/dbraw/zinc/26/17/95/209261795.db2.gz RQLDFBPFLGBUTD-CYVLTUHYSA-N 0 0 377.444 2.181 10 0 GEAERN CC[S@](=O)c1ccc(OC[C@@H](O)CN2CCN(c3ccccc3)CC2)cc1 ZINC000031371941 209243239 /nfs/dbraw/zinc/24/32/39/209243239.db2.gz KQCVBOQOJFKQIQ-UZTOHYMASA-N 0 0 388.533 2.376 10 0 GEAERN CC(C)[C@@H](NC(=O)CCN1C(=O)c2cccnc2C1=O)c1nc2ccccc2[nH]1 ZINC000334162446 209178600 /nfs/dbraw/zinc/17/86/00/209178600.db2.gz TVLUSCXBPPKQPM-QGZVFWFLSA-N 0 0 391.431 2.458 10 0 GEAERN COCC(=O)N1CCN(c2nc3c(s2)c(C)nn3-c2cccc(C)c2)CC1 ZINC000065297298 211954744 /nfs/dbraw/zinc/95/47/44/211954744.db2.gz JFGSBPXONKWWDO-UHFFFAOYSA-N 0 0 385.493 2.394 10 0 GEAERN O=S(=O)(NC[C@H]1CCc2nccn2C1)c1ccccc1OC(F)(F)F ZINC000328624029 209149550 /nfs/dbraw/zinc/14/95/50/209149550.db2.gz JPLUKYBZHZVKDH-LLVKDONJSA-N 0 0 375.372 2.323 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CCN(S(=O)(=O)c2ccc(C)c3ncccc23)CC1 ZINC000328607333 209144754 /nfs/dbraw/zinc/14/47/54/209144754.db2.gz VQRGWJKVTBUXLN-UHFFFAOYSA-N 0 0 391.493 2.103 10 0 GEAERN Cn1nccc1N1CCC[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C1=O ZINC000328612067 209146520 /nfs/dbraw/zinc/14/65/20/209146520.db2.gz NVLUMKVZDRCZEP-QGZVFWFLSA-N 0 0 384.461 2.047 10 0 GEAERN Cn1nc(C(=O)NC[C@H](O)c2ccccc2)c(F)c1NC(=O)Cc1ccccc1 ZINC000041070587 211391891 /nfs/dbraw/zinc/39/18/91/211391891.db2.gz MVCUIKZRDGAQLR-INIZCTEOSA-N 0 0 396.422 2.204 10 0 GEAERN CS(=O)(=O)N1C[C@H](C(=O)NCc2cc(F)ccc2F)C2(C1)CCCCC2 ZINC000096309608 211333267 /nfs/dbraw/zinc/33/32/67/211333267.db2.gz CYJWRZGVQPEWEU-OAHLLOKOSA-N 0 0 386.464 2.423 10 0 GEAERN CC(=O)NCc1csc([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 ZINC000096372811 211338385 /nfs/dbraw/zinc/33/83/85/211338385.db2.gz MSDFHGAZNANDEE-AWEZNQCLSA-N 0 0 379.507 2.348 10 0 GEAERN CN(C1=NS(=O)(=O)c2ccccc21)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074093 211215834 /nfs/dbraw/zinc/21/58/34/211215834.db2.gz ITKFMOQSTHWPQK-CYBMUJFWSA-N 0 0 379.482 2.467 10 0 GEAERN Nc1cc(C(=O)N2CCC3(CCC(=O)N(Cc4ccccn4)C3)CC2)ccn1 ZINC000091319715 211190949 /nfs/dbraw/zinc/19/09/49/211190949.db2.gz AKZIONOYERMWPV-UHFFFAOYSA-N 0 0 379.464 2.104 10 0 GEAERN CC(=O)N1CCc2c(nc(N(C)C)nc2N[C@@H](C)c2nc3ccccc3[nH]2)C1 ZINC000077386920 211132516 /nfs/dbraw/zinc/13/25/16/211132516.db2.gz ATUKWBUOWVRPAB-LBPRGKRZSA-N 0 0 379.468 2.497 10 0 GEAERN CCc1cc(C(=O)NCc2cc3c(=O)n(C4CCCC4)cc-3[nH]c2OC)on1 ZINC000071752657 211055059 /nfs/dbraw/zinc/05/50/59/211055059.db2.gz UFMRRJNQCABRSG-UHFFFAOYSA-N 0 0 384.436 2.469 10 0 GEAERN Cc1ccc(-c2ccc(C(=O)N(CCO)[C@@]3(C)CCS(=O)(=O)C3)cc2)o1 ZINC000065397069 210992107 /nfs/dbraw/zinc/99/21/07/210992107.db2.gz VJCHLGZDKVPCOI-IBGZPJMESA-N 0 0 377.462 2.267 10 0 GEAERN CCn1nnc2cc(C(=O)N(C)CC(=O)Nc3ccc(C(C)=O)cc3)ccc21 ZINC000032983292 210610709 /nfs/dbraw/zinc/61/07/09/210610709.db2.gz VLQZKSBITBOJLV-UHFFFAOYSA-N 0 0 379.420 2.365 10 0 GEAERN Cc1ccc(C(=O)Cn2cccc3c(=O)n(Cc4cccnc4)c(=O)nc2-3)cc1 ZINC000032615727 210578702 /nfs/dbraw/zinc/57/87/02/210578702.db2.gz DPHDTGPXORCVPK-UHFFFAOYSA-N 0 0 386.411 2.144 10 0 GEAERN C[C@@H](COCc1ccccc1)NC(=O)c1cnn(C)c1I ZINC000293087311 532921825 /nfs/dbraw/zinc/92/18/25/532921825.db2.gz DHKFWNHHGMJQSO-NSHDSACASA-N 0 0 399.232 2.360 10 0 GEAERN O=C([C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1)N1CCCCCC1 ZINC000021026250 210375107 /nfs/dbraw/zinc/37/51/07/210375107.db2.gz GIYUWOVUSYVOAZ-CQSZACIVSA-N 0 0 377.514 2.284 10 0 GEAERN COc1ccc(OCc2cc(C(=O)N(C)C[C@H]3COCCO3)no2)c(Cl)c1 ZINC000020455585 210336642 /nfs/dbraw/zinc/33/66/42/210336642.db2.gz KVVBGVZCBMKRFI-AWEZNQCLSA-N 0 0 396.827 2.403 10 0 GEAERN O=C(CCC1CCN(C(=O)c2noc3c2CCCC3)CC1)N1CCOCC1 ZINC000020206759 210321415 /nfs/dbraw/zinc/32/14/15/210321415.db2.gz NHTARXCXWGTNCA-UHFFFAOYSA-N 0 0 375.469 2.045 10 0 GEAERN Cn1ccc(CC(=O)N2CCC[C@H]2C(=O)Nc2cccc(-n3cccn3)c2)c1 ZINC000012711588 221219567 /nfs/dbraw/zinc/21/95/67/221219567.db2.gz JOQSZPMWFSDOFV-IBGZPJMESA-N 0 0 377.448 2.383 10 0 GEAERN COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2=O)[C@]42CC[C@@]1(OC)[C@@H](C(C)=O)C2 ZINC000504632079 533322711 /nfs/dbraw/zinc/32/27/11/533322711.db2.gz LIGDFRVFHOCFQK-XNMHVSQTSA-N 0 0 397.471 2.369 10 0 GEAERN COC(=O)CC[C@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)OC ZINC000504242531 533452001 /nfs/dbraw/zinc/45/20/01/533452001.db2.gz MPUPFJWBQKFIEQ-AWEZNQCLSA-N 0 0 394.424 2.258 10 0 GEAERN O=C(Nc1cnn(-c2ncncc2N2CCOCC2)c1)Nc1ccccc1F ZINC000065283134 136162505 /nfs/dbraw/zinc/16/25/05/136162505.db2.gz MVGSLPUNSVTWCR-UHFFFAOYSA-N 0 0 383.387 2.282 10 0 GEAERN COc1cccc(CNC(=O)[C@]2(C)CCCN(C(=O)NC[C@H]3CCCO3)C2)c1 ZINC000035526832 526001476 /nfs/dbraw/zinc/00/14/76/526001476.db2.gz BYTHXFVTQVQUTL-WIYYLYMNSA-N 0 0 389.496 2.302 10 0 GEAERN C/C=C\C=C/C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC ZINC000098004287 526310080 /nfs/dbraw/zinc/31/00/80/526310080.db2.gz FNWYVDVZTYHLPM-VKLRWAGZSA-N 0 0 380.466 2.177 10 0 GEAERN COc1ccc(Cl)cc1C(=O)NCc1cc(C)nc(N2CCOCC2)n1 ZINC000224226761 536547058 /nfs/dbraw/zinc/54/70/58/536547058.db2.gz UMSFLKNMOPMWRU-UHFFFAOYSA-N 0 0 376.844 2.214 10 0 GEAERN CC(C)OC[C@H](O)CN(C)Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 ZINC000169677092 570258868 /nfs/dbraw/zinc/25/88/68/570258868.db2.gz GFWYLQHQLZBJMJ-CHWSQXEVSA-N 0 0 379.526 2.327 10 0 GEAERN COC(=O)c1nn(C2CCOCC2)c(N)c1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000725254341 570272508 /nfs/dbraw/zinc/27/25/08/570272508.db2.gz HTEIKEZAHHGWJE-LBPRGKRZSA-N 0 0 394.472 2.328 10 0 GEAERN COC(=O)[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)OCc1ccccc1 ZINC000142915514 570509175 /nfs/dbraw/zinc/50/91/75/570509175.db2.gz UVWVPIDBHIWJLK-CABCVRRESA-N 0 0 378.425 2.464 10 0 GEAERN CC[C@H](C)[C@@H]1NC2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N(C)C1=O ZINC000036029164 570513943 /nfs/dbraw/zinc/51/39/43/570513943.db2.gz COLUSIZWBSLZRJ-BBRMVZONSA-N 0 0 399.944 2.297 10 0 GEAERN CCOC(=O)N1CCN(C(=O)c2cc(COc3c(F)cccc3F)on2)CC1 ZINC000012386363 570651433 /nfs/dbraw/zinc/65/14/33/570651433.db2.gz MSFGOQWOZASXSQ-UHFFFAOYSA-N 0 0 395.362 2.446 10 0 GEAERN Cc1cc(N2CCC(Cn3cc(C[NH3+])nn3)CC2)nc(-c2ccccc2[O-])n1 ZINC000048233954 570656212 /nfs/dbraw/zinc/65/62/12/570656212.db2.gz WYMFRAQIYUGGAU-UHFFFAOYSA-N 0 0 379.468 2.124 10 0 GEAERN CCOC(=O)C(Cc1c[nH]c2cc(Cl)ccc12)(NC(C)=O)C(=O)OCC ZINC000022057303 570778973 /nfs/dbraw/zinc/77/89/73/570778973.db2.gz VQQVCBKVPRYUNV-UHFFFAOYSA-N 0 0 380.828 2.365 10 0 in-vitro GEAERN O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(c2cn[nH]c(=O)c2)C1 ZINC000065313485 570795152 /nfs/dbraw/zinc/79/51/52/570795152.db2.gz WCMZMLNRBIFYQQ-CYBMUJFWSA-N 0 0 380.370 2.322 10 0 GEAERN C[C@@H](NC(=O)c1cnn2c1C[C@@H](CNC(=O)c1cccnc1)CC2)C(C)(C)C ZINC000583621723 570801832 /nfs/dbraw/zinc/80/18/32/570801832.db2.gz CCZYMCSXESHHHF-CABCVRRESA-N 0 0 383.496 2.435 10 0 GEAERN C[C@H](NC(=O)c1cnn2c1C[C@@H](CNC(=O)c1cccnc1)CC2)C(C)(C)C ZINC000583621724 570801960 /nfs/dbraw/zinc/80/19/60/570801960.db2.gz CCZYMCSXESHHHF-GJZGRUSLSA-N 0 0 383.496 2.435 10 0 GEAERN COc1ccc(CNC(=O)CNC(=O)c2ccc(-c3noc(C)n3)cc2)cc1 ZINC000033269312 570941130 /nfs/dbraw/zinc/94/11/30/570941130.db2.gz PHHOWLRPDIGLRY-UHFFFAOYSA-N 0 0 380.404 2.100 10 0 GEAERN C[C@@H]1CN(C(=O)COc2ccc(I)cc2)C[C@@H](C)O1 ZINC000049824361 642672508 /nfs/dbraw/zinc/67/25/08/642672508.db2.gz YXLZKGGMHMILIU-GHMZBOCLSA-N 0 0 375.206 2.306 10 0 GEAERN O=C(NCCO)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1Cl ZINC000055667584 642778949 /nfs/dbraw/zinc/77/89/49/642778949.db2.gz PWWWHPUZKNJBGR-FLIBITNWSA-N 0 0 380.853 2.475 10 0 GEAERN C[C@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)c1ccc(F)c(Cl)c1 ZINC000057022141 642800329 /nfs/dbraw/zinc/80/03/29/642800329.db2.gz SREKHTGUXWFJGV-VIFPVBQESA-N 0 0 392.861 2.166 10 0 GEAERN C[C@H](CNC(=O)NCCc1ccc(F)c(Br)c1)N1CCOCC1 ZINC000057128936 642806434 /nfs/dbraw/zinc/80/64/34/642806434.db2.gz RXEIDUKBBSUBAJ-GFCCVEGCSA-N 0 0 388.281 2.151 10 0 GEAERN C[C@@H](CNC(=O)c1[nH]nc(-c2ccccc2)c1Br)N1CCOCC1 ZINC000065106828 642878164 /nfs/dbraw/zinc/87/81/64/642878164.db2.gz CJXBAWUCDSSWJQ-LBPRGKRZSA-N 0 0 393.285 2.290 10 0 GEAERN COC(=O)[C@@H]1CCCN(CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000066832757 642940928 /nfs/dbraw/zinc/94/09/28/642940928.db2.gz LKOYUNNPCTVBLX-LLVKDONJSA-N 0 0 389.315 2.354 10 0 GEAERN NC(=O)c1c(F)cc(Br)cc1NC[C@H](CO)Cc1ccccn1 ZINC000092830650 643073746 /nfs/dbraw/zinc/07/37/46/643073746.db2.gz URURGFKHOOVPOW-SNVBAGLBSA-N 0 0 382.233 2.345 10 0 GEAERN Cn1cc(CCCNS(=O)(=O)c2ccc(F)cc2Br)cn1 ZINC000102661940 643132026 /nfs/dbraw/zinc/13/20/26/643132026.db2.gz BZIHJFLSMBBRNX-UHFFFAOYSA-N 0 0 376.251 2.233 10 0 GEAERN CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)cc1Cl ZINC000104735426 643189061 /nfs/dbraw/zinc/18/90/61/643189061.db2.gz BNTSMSDSCQFUCN-GFCCVEGCSA-N 0 0 389.880 2.296 10 0 GEAERN CCN1CCC[C@@H](NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)C1 ZINC000104737694 643189720 /nfs/dbraw/zinc/18/97/20/643189720.db2.gz PZNKOVYZXWGGSO-LLVKDONJSA-N 0 0 377.869 2.200 10 0 GEAERN CN1CCO[C@@H](CNC(=O)NCCCOc2ccc(Cl)cc2Cl)C1 ZINC000104792991 643194198 /nfs/dbraw/zinc/19/41/98/643194198.db2.gz ODPMWEMLPVIYSI-ZDUSSCGKSA-N 0 0 376.284 2.392 10 0 GEAERN Cc1cc(NC(=O)CN2CCO[C@@H](Cn3cccn3)C2)ccc1Br ZINC000106191488 643225081 /nfs/dbraw/zinc/22/50/81/643225081.db2.gz ZCPVCFXHADOBJR-OAHLLOKOSA-N 0 0 393.285 2.294 10 0 GEAERN C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1)[C@@H]1CCCO1 ZINC000106613329 643235556 /nfs/dbraw/zinc/23/55/56/643235556.db2.gz CEHVFMXXRMQWTG-KGLIPLIRSA-N 0 0 386.539 2.466 10 0 GEAERN O=S(=O)(N[C@H]1CCc2cc(Cl)ccc21)c1cccc(-n2cnnn2)c1 ZINC000109314395 643292697 /nfs/dbraw/zinc/29/26/97/643292697.db2.gz QTEWJDPJXLJQMO-INIZCTEOSA-N 0 0 375.841 2.282 10 0 GEAERN C[C@@H](NC(=O)NCCS(=O)(=O)NCC1CCC1)c1ccc(F)c(F)c1 ZINC000109354079 643293568 /nfs/dbraw/zinc/29/35/68/643293568.db2.gz FMPHCZQNENGTQS-LLVKDONJSA-N 0 0 375.441 2.045 10 0 GEAERN O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCO[C@@H](c2nccs2)C1 ZINC000110885934 643321945 /nfs/dbraw/zinc/32/19/45/643321945.db2.gz JMEQHAGSSURLCP-GFCCVEGCSA-N 0 0 388.417 2.353 10 0 GEAERN O=C(c1cc(Br)cnc1Cl)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111083155 643326298 /nfs/dbraw/zinc/32/62/98/643326298.db2.gz WSBIXAWMBWKNME-LLVKDONJSA-N 0 0 385.649 2.235 10 0 GEAERN Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)c3cc(F)ccc3Cl)CCO2)n1 ZINC000111345123 643335475 /nfs/dbraw/zinc/33/54/75/643335475.db2.gz LTZNCKMCLNCJDZ-AWEZNQCLSA-N 0 0 387.864 2.382 10 0 GEAERN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111360612 643338238 /nfs/dbraw/zinc/33/82/38/643338238.db2.gz NOHMVBVIPNBLLC-CYBMUJFWSA-N 0 0 390.292 2.421 10 0 GEAERN CC(C)c1nc2n(n1)C[C@H](N[C@H](C(N)=O)c1ccc(Br)cc1)CC2 ZINC000112552117 643365141 /nfs/dbraw/zinc/36/51/41/643365141.db2.gz BHWWSFILBNTXTD-HIFRSBDPSA-N 0 0 392.301 2.295 10 0 GEAERN CC(C)c1nc2n(n1)C[C@@H](N[C@H](C(N)=O)c1ccc(Br)cc1)CC2 ZINC000112552118 643365257 /nfs/dbraw/zinc/36/52/57/643365257.db2.gz BHWWSFILBNTXTD-ZFWWWQNUSA-N 0 0 392.301 2.295 10 0 GEAERN CCOc1ccnc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)n1 ZINC000113293268 643391256 /nfs/dbraw/zinc/39/12/56/643391256.db2.gz NLJBJGWYYFWOGR-UHFFFAOYSA-N 0 0 382.873 2.040 10 0 GEAERN CC(C)c1nnc(Cn2nnnc2Cc2ccc(Br)cc2)n1C ZINC000114218692 643408893 /nfs/dbraw/zinc/40/88/93/643408893.db2.gz XGUJPBJHPZROGY-UHFFFAOYSA-N 0 0 376.262 2.327 10 0 GEAERN COc1ccccc1S(=O)(=O)N1CCCN(Cc2csc(C)n2)CC1 ZINC000116351658 643459715 /nfs/dbraw/zinc/45/97/15/643459715.db2.gz NOSYQHXNTLDMPV-UHFFFAOYSA-N 0 0 381.523 2.357 10 0 GEAERN Cn1cc([C@@H]2CCN(S(=O)(=O)c3ccccc3OC(F)(F)F)C2)cn1 ZINC000116369996 643461195 /nfs/dbraw/zinc/46/11/95/643461195.db2.gz CTHNEUSRNHUYJD-LLVKDONJSA-N 0 0 375.372 2.497 10 0 GEAERN Cn1cc([C@@H]2CCN(C(=O)C(=O)Nc3ccc(Br)cc3F)C2)cn1 ZINC000116587181 643465589 /nfs/dbraw/zinc/46/55/89/643465589.db2.gz PLKKIULVLXRYKY-SNVBAGLBSA-N 0 0 395.232 2.276 10 0 GEAERN COCCN1CCN(C(=O)c2cc(Br)cnc2Cl)C[C@@H]1C ZINC000117288748 643486579 /nfs/dbraw/zinc/48/65/79/643486579.db2.gz BSPWZEPUPIHYBW-JTQLQIEISA-N 0 0 376.682 2.290 10 0 GEAERN COCCN1CCN(C(=O)c2cccc(I)c2)C[C@H]1C ZINC000117290408 643486737 /nfs/dbraw/zinc/48/67/37/643486737.db2.gz DKFYPCKDAFJNRH-GFCCVEGCSA-N 0 0 388.249 2.084 10 0 GEAERN Cc1ncc(CN2CCN(S(=O)(=O)c3cnc(Cl)c(C)c3)CC2)s1 ZINC000117364647 643488940 /nfs/dbraw/zinc/48/89/40/643488940.db2.gz BNZLACZBIPUTRO-UHFFFAOYSA-N 0 0 386.930 2.315 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000117368760 643489483 /nfs/dbraw/zinc/48/94/83/643489483.db2.gz METHDDKDRHWIRR-ZDUSSCGKSA-N 0 0 380.432 2.437 10 0 GEAERN CC[C@@H]1CN(S(=O)(=O)c2ccccc2OC(F)F)CCN1CCOC ZINC000117371748 643490185 /nfs/dbraw/zinc/49/01/85/643490185.db2.gz VKFFVBQXWQGMHP-CYBMUJFWSA-N 0 0 378.441 2.019 10 0 GEAERN CC[C@H]1CN(S(=O)(=O)c2ccc(Br)s2)CCN1CCOC ZINC000117372542 643490613 /nfs/dbraw/zinc/49/06/13/643490613.db2.gz UTYZQKVPWQNQCR-NSHDSACASA-N 0 0 397.360 2.242 10 0 GEAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cnc(Br)c(Br)c1 ZINC000119333572 643546508 /nfs/dbraw/zinc/54/65/08/643546508.db2.gz NJGYEOJBKCFUFR-XNCJUZBTSA-N 0 0 377.036 2.070 10 0 GEAERN Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CN2C[C@@H](C)O[C@H](C(N)=O)C2)n1 ZINC000120252556 643596693 /nfs/dbraw/zinc/59/66/93/643596693.db2.gz QTAZSMXYJXXCED-OTYXRUKQSA-N 0 0 384.267 2.092 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cc(F)ccc1Br ZINC000120440868 643607370 /nfs/dbraw/zinc/60/73/70/643607370.db2.gz PUIAAFRQJBEHOZ-NSHDSACASA-N 0 0 396.220 2.078 10 0 GEAERN COC(=O)[C@@H](O)C1CCN(C(=O)N[C@@H](C)c2cccc(Br)c2)CC1 ZINC000120503530 643612381 /nfs/dbraw/zinc/61/23/81/643612381.db2.gz WPICTSNQXSZWIG-NHYWBVRUSA-N 0 0 399.285 2.466 10 0 GEAERN COCCn1cc(NC(=O)C(=O)N[C@H](C)c2ccccc2Br)cn1 ZINC000124874377 643691063 /nfs/dbraw/zinc/69/10/63/643691063.db2.gz YHIZHVUTSACMPV-LLVKDONJSA-N 0 0 395.257 2.108 10 0 GEAERN C[C@@H]1CN(S(=O)(=O)c2cc(N(C)C)ccc2Br)C[C@@H](C)O1 ZINC000126568085 643735982 /nfs/dbraw/zinc/73/59/82/643735982.db2.gz RVGQMSMOZBUFLE-GHMZBOCLSA-N 0 0 377.304 2.313 10 0 GEAERN COC(=O)[C@@H]1C[C@H]1C(=O)Nc1nccn1Cc1ccc(Br)cc1 ZINC000126738238 643744758 /nfs/dbraw/zinc/74/47/58/643744758.db2.gz KPIAMRQZCFRHAT-CHWSQXEVSA-N 0 0 378.226 2.442 10 0 GEAERN COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1nccn1Cc1ccc(Br)cc1 ZINC000126737735 643744815 /nfs/dbraw/zinc/74/48/15/643744815.db2.gz KPIAMRQZCFRHAT-QWHCGFSZSA-N 0 0 378.226 2.442 10 0 GEAERN CCOCCN1CCN(C(=O)c2cc(Br)c(C)[nH]c2=O)C[C@H]1C ZINC000127322794 643770945 /nfs/dbraw/zinc/77/09/45/643770945.db2.gz GFXLATCZWWZRRO-LLVKDONJSA-N 0 0 386.290 2.041 10 0 GEAERN O=C(CSCc1cscn1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000130096759 643829357 /nfs/dbraw/zinc/82/93/57/643829357.db2.gz KUKOEPKZBWBPKP-KRWDZBQOSA-N 0 0 377.535 2.254 10 0 GEAERN O=C(Cc1ccc(Br)c(F)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000130940837 643856115 /nfs/dbraw/zinc/85/61/15/643856115.db2.gz UPDUZVJUFQFZED-CYBMUJFWSA-N 0 0 382.233 2.255 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)Nc3ccc(C)nc3Br)CCO2)[nH]1 ZINC000151296278 643935791 /nfs/dbraw/zinc/93/57/91/643935791.db2.gz QMANCOFMIPEQFW-LLVKDONJSA-N 0 0 381.234 2.184 10 0 GEAERN Cc1cc(C)n(C[C@H]2CN(Cn3nc(C)c(Br)c3C)CCO2)n1 ZINC000152879551 643975391 /nfs/dbraw/zinc/97/53/91/643975391.db2.gz QXLWIRISFPSZNQ-OAHLLOKOSA-N 0 0 382.306 2.434 10 0 GEAERN CCc1nnc([C@@H]2CN(C(=O)Cc3cc(F)ccc3Br)CCO2)[nH]1 ZINC000153226329 643981937 /nfs/dbraw/zinc/98/19/37/643981937.db2.gz LQSBNCAERFJESX-ZDUSSCGKSA-N 0 0 397.248 2.411 10 0 GEAERN Cc1csc([C@H]2CN(CCOc3cccc(S(C)(=O)=O)c3)CCO2)n1 ZINC000154555712 644052031 /nfs/dbraw/zinc/05/20/31/644052031.db2.gz NEFQTIFVUYOEIK-MRXNPFEDSA-N 0 0 382.507 2.307 10 0 GEAERN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000155486396 644074491 /nfs/dbraw/zinc/07/44/91/644074491.db2.gz XRHCBMNOFNIGFF-YPMHNXCESA-N 0 0 378.416 2.439 10 0 GEAERN COc1cc(NC(=O)C(=O)N[C@@H](C)c2ccccc2Br)ncn1 ZINC000156772952 644116634 /nfs/dbraw/zinc/11/66/34/644116634.db2.gz DCOUIKRQFDUIRZ-VIFPVBQESA-N 0 0 379.214 2.064 10 0 GEAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1sccc1Br ZINC000157049453 644127822 /nfs/dbraw/zinc/12/78/22/644127822.db2.gz RXVGVTAYKYHKFI-VIFPVBQESA-N 0 0 391.316 2.478 10 0 GEAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000157056616 644128765 /nfs/dbraw/zinc/12/87/65/644128765.db2.gz SMELCNZIWGEVEU-SNVBAGLBSA-N 0 0 376.269 2.356 10 0 GEAERN COc1cc(S(=O)(=O)N[C@H](CO)c2ccccc2)ccc1Br ZINC000158450657 644145574 /nfs/dbraw/zinc/14/55/74/644145574.db2.gz QQABVNQWLIIYJX-CQSZACIVSA-N 0 0 386.267 2.470 10 0 GEAERN COC(=O)C[C@H](NC(=O)Cc1nnc(C)o1)c1cccc(Br)c1 ZINC000170827884 644289947 /nfs/dbraw/zinc/28/99/47/644289947.db2.gz LNWUQVYJJFCEKG-LBPRGKRZSA-N 0 0 382.214 2.104 10 0 GEAERN C[C@H]1C[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000171068780 644305837 /nfs/dbraw/zinc/30/58/37/644305837.db2.gz YYTFMASOBGPLQW-TVQRCGJNSA-N 0 0 393.292 2.153 10 0 GEAERN Cn1nc(Br)c2c1ncnc2N1CC[C@@H](CNc2ccccn2)C1 ZINC000171131975 644313564 /nfs/dbraw/zinc/31/35/64/644313564.db2.gz PJTLNVPENBNBCT-NSHDSACASA-N 0 0 388.273 2.459 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)CCOc3cccc(Br)c3)CCO2)[nH]1 ZINC000173090118 644350313 /nfs/dbraw/zinc/35/03/13/644350313.db2.gz URYHBZOULVUWNU-CQSZACIVSA-N 0 0 395.257 2.245 10 0 GEAERN CN(c1cccnn1)C1CCN(C(=O)c2cc(Br)cn2C)CC1 ZINC000173092319 644350643 /nfs/dbraw/zinc/35/06/43/644350643.db2.gz LFEWEWGMUAJBGQ-UHFFFAOYSA-N 0 0 378.274 2.319 10 0 GEAERN C[C@H](NC(=O)C(=O)Nc1c(F)cc(Br)cc1F)[C@@H]1CCCO1 ZINC000174654021 644378727 /nfs/dbraw/zinc/37/87/27/644378727.db2.gz OYMKPXBVWNUORS-CPCISQLKSA-N 0 0 377.185 2.350 10 0 GEAERN C[C@@H](OC(=O)c1ccc(Br)c(S(C)(=O)=O)c1)[C@H]1CCOC1 ZINC000175259064 644387864 /nfs/dbraw/zinc/38/78/64/644387864.db2.gz DORGMQPMSNLGQC-KOLCDFICSA-N 0 0 377.256 2.434 10 0 GEAERN O=C(N[C@H]1CCc2cc(Cl)ccc21)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000175792356 644393642 /nfs/dbraw/zinc/39/36/42/644393642.db2.gz CPVCSEHGBOORSX-XJKSGUPXSA-N 0 0 377.853 2.174 10 0 GEAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1ccnc(Br)c1 ZINC000177355971 644415417 /nfs/dbraw/zinc/41/54/17/644415417.db2.gz HTRYMVRPYXHKNQ-LBPRGKRZSA-N 0 0 381.251 2.493 10 0 GEAERN COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000177553852 644417880 /nfs/dbraw/zinc/41/78/80/644417880.db2.gz PHZFZWKTQAHKTQ-AAEUAGOBSA-N 0 0 399.285 2.372 10 0 GEAERN C[C@H](NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)c1ccccc1Br ZINC000177595381 644419982 /nfs/dbraw/zinc/41/99/82/644419982.db2.gz DSHVSAVGMHLAAT-QWRGUYRKSA-N 0 0 377.242 2.403 10 0 GEAERN C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)c1ccccc1Br ZINC000177595353 644420081 /nfs/dbraw/zinc/42/00/81/644420081.db2.gz DSHVSAVGMHLAAT-WDEREUQCSA-N 0 0 377.242 2.403 10 0 GEAERN C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)c1cccc(Br)c1 ZINC000177651883 644422728 /nfs/dbraw/zinc/42/27/28/644422728.db2.gz WWHPXISBPFJTAU-ZYHUDNBSSA-N 0 0 377.242 2.403 10 0 GEAERN O=C(CN1CCCCc2cc(Br)ccc21)NCC(=O)N1CCCC1 ZINC000179465517 644462138 /nfs/dbraw/zinc/46/21/38/644462138.db2.gz YQIYCMIEVCWCOH-UHFFFAOYSA-N 0 0 394.313 2.330 10 0 GEAERN O=S(=O)(N[C@H]1CCCC[C@@H]1CO)c1cc(Br)cnc1Cl ZINC000179491640 644462852 /nfs/dbraw/zinc/46/28/52/644462852.db2.gz PORVJEFLFZKZDA-SCZZXKLOSA-N 0 0 383.695 2.327 10 0 GEAERN CC(C)c1nnc2n1C[C@@H](NS(=O)(=O)c1ccccc1Br)CC2 ZINC000181733960 644945414 /nfs/dbraw/zinc/94/54/14/644945414.db2.gz SNCMZBPJDPPPPX-NSHDSACASA-N 0 0 399.314 2.457 10 0 GEAERN C[C@H](NCC(=O)NCC(C)(C)N1CCOCC1)c1ccccc1Br ZINC000181865539 644950417 /nfs/dbraw/zinc/95/04/17/644950417.db2.gz KWVAPBMBFSJOPZ-AWEZNQCLSA-N 0 0 398.345 2.327 10 0 GEAERN CC[C@@H]1CN(C(=O)c2ccc(OC)c(Br)n2)CCN1CCOC ZINC000183156132 644981937 /nfs/dbraw/zinc/98/19/37/644981937.db2.gz XDODHWWZRZGSNE-GFCCVEGCSA-N 0 0 386.290 2.036 10 0 GEAERN COc1ccc(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)nc1Br ZINC000183252309 644989590 /nfs/dbraw/zinc/98/95/90/644989590.db2.gz OMJCWFAQSAOZFF-JTQLQIEISA-N 0 0 394.273 2.312 10 0 GEAERN C[C@@H](NC(=O)C(=O)Nc1cncnc1N(C)C)c1cccc(Br)c1 ZINC000184432247 645017865 /nfs/dbraw/zinc/01/78/65/645017865.db2.gz FCWDOUBQBZDPHM-SNVBAGLBSA-N 0 0 392.257 2.121 10 0 GEAERN CN1CCO[C@H](CNC(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)C1 ZINC000184581088 645021286 /nfs/dbraw/zinc/02/12/86/645021286.db2.gz UCDIOARRQNMTBL-CYBMUJFWSA-N 0 0 387.311 2.156 10 0 GEAERN Cc1noc([C@@H]2COCCN2CC(=O)Nc2ccc(Br)cc2F)n1 ZINC000185075558 645033295 /nfs/dbraw/zinc/03/32/95/645033295.db2.gz GRCSSUHLJMBLCV-ZDUSSCGKSA-N 0 0 399.220 2.292 10 0 GEAERN CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000185154574 645037718 /nfs/dbraw/zinc/03/77/18/645037718.db2.gz FACGGMBNTLJYKJ-WDEREUQCSA-N 0 0 390.864 2.425 10 0 GEAERN Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(Cl)n1 ZINC000185466070 645046110 /nfs/dbraw/zinc/04/61/10/645046110.db2.gz CQNIACDNWHDVQG-LLVKDONJSA-N 0 0 388.898 2.486 10 0 GEAERN Cc1cnn(CCNC(=O)C(=O)Nc2cc(F)c(Br)cc2C)c1 ZINC000187170758 645083758 /nfs/dbraw/zinc/08/37/58/645083758.db2.gz QKGDSZWAVKQDRW-UHFFFAOYSA-N 0 0 383.221 2.156 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)NCc3cc(Br)ccc3C)CCO2)[nH]1 ZINC000187632288 645095973 /nfs/dbraw/zinc/09/59/73/645095973.db2.gz RDLZJIUHCQKEIG-AWEZNQCLSA-N 0 0 394.273 2.467 10 0 GEAERN C[C@H](NC(=O)NCCCOCC(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000193236972 645253948 /nfs/dbraw/zinc/25/39/48/645253948.db2.gz QKSMDPXACVZBDD-NSHDSACASA-N 0 0 382.404 2.419 10 0 GEAERN CNC(=O)Cn1cc(NC(=O)N[C@H](C)c2cccc(Br)c2)cn1 ZINC000194438703 645327633 /nfs/dbraw/zinc/32/76/33/645327633.db2.gz MBDUZQWADNXABS-SNVBAGLBSA-N 0 0 380.246 2.274 10 0 GEAERN Cc1nc(NC(=O)[C@@H](C)NC(=O)c2ccco2)ccc1I ZINC000194535580 645331588 /nfs/dbraw/zinc/33/15/88/645331588.db2.gz KHRYJRZHHABXKV-SECBINFHSA-N 0 0 399.188 2.345 10 0 GEAERN C[C@@H](NC(=O)c1ccc(Br)c(S(C)(=O)=O)c1)[C@@H]1CCCO1 ZINC000194628279 645338243 /nfs/dbraw/zinc/33/82/43/645338243.db2.gz SROYABCNGWNFHA-SKDRFNHKSA-N 0 0 376.272 2.150 10 0 GEAERN O=C(N[C@H]1COc2ccccc21)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000194642597 645339541 /nfs/dbraw/zinc/33/95/41/645339541.db2.gz PQIKZKGJFQUQLR-UONOGXRCSA-N 0 0 378.475 2.151 10 0 GEAERN Cc1csc([C@@H]2CN(Cc3cccc(S(=O)(=O)N(C)C)c3)CCO2)n1 ZINC000195393825 645375672 /nfs/dbraw/zinc/37/56/72/645375672.db2.gz JFQLXPJQMGFQFA-INIZCTEOSA-N 0 0 381.523 2.275 10 0 GEAERN COc1ccc(S(=O)(=O)N2CCn3c(nnc3C(F)(F)F)[C@H]2C)cc1 ZINC000223530531 645387103 /nfs/dbraw/zinc/38/71/03/645387103.db2.gz GAESYXTZFDOLLA-SECBINFHSA-N 0 0 376.360 2.071 10 0 GEAERN CNC(=O)CCNC(=O)c1cc2oc(Br)cc2c(OCCOC)c1 ZINC000223647195 645387157 /nfs/dbraw/zinc/38/71/57/645387157.db2.gz WNEFORCQHBBFFP-UHFFFAOYSA-N 0 0 399.241 2.086 10 0 GEAERN Cc1nn(C)c2cnn(CCC(=O)N(C)Cc3ccc(Br)o3)c12 ZINC000223855946 645387671 /nfs/dbraw/zinc/38/76/71/645387671.db2.gz NMKKJFBRDIQUPY-UHFFFAOYSA-N 0 0 380.246 2.482 10 0 GEAERN O=C(N[C@@H]1CCCC[C@H]1CO)c1ccc(I)c(O)c1 ZINC000230903248 645402995 /nfs/dbraw/zinc/40/29/95/645402995.db2.gz JSUFYFGVEHJFGM-CMPLNLGQSA-N 0 0 375.206 2.278 10 0 GEAERN O=C(N[C@@H]1CCCC[C@@H]1CO)c1cc(I)ccc1O ZINC000236504238 645411098 /nfs/dbraw/zinc/41/10/98/645411098.db2.gz ZTYWJWOUSVMFNH-BXKDBHETSA-N 0 0 375.206 2.278 10 0 GEAERN C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@H]1N1CCOCC1 ZINC000246387728 645482203 /nfs/dbraw/zinc/48/22/03/645482203.db2.gz BTBVREAZEMZPMN-IAQYHMDHSA-N 0 0 379.309 2.335 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)Oc1ccccc1Cl ZINC000246600230 645486650 /nfs/dbraw/zinc/48/66/50/645486650.db2.gz BJXDSQUWBZRRSM-DZGCQCFKSA-N 0 0 388.917 2.428 10 0 GEAERN C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)C[C@H]1N1CCOCC1 ZINC000246607632 645487022 /nfs/dbraw/zinc/48/70/22/645487022.db2.gz WLJBXNUDMQYFFP-SMDDNHRTSA-N 0 0 379.309 2.335 10 0 GEAERN CN(C)S(=O)(=O)N(C)CCOC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000246641000 645488037 /nfs/dbraw/zinc/48/80/37/645488037.db2.gz PMDUXTFLAYBRAX-NWDGAFQWSA-N 0 0 395.308 2.378 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)Oc1ccc(Cl)cc1 ZINC000246806223 645495497 /nfs/dbraw/zinc/49/54/97/645495497.db2.gz AZIQROIYZHWZSF-XJKSGUPXSA-N 0 0 388.917 2.428 10 0 GEAERN COc1c(Br)c(C)sc1C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000247059507 645503071 /nfs/dbraw/zinc/50/30/71/645503071.db2.gz YXSZANYMDZPFRB-ZJUUUORDSA-N 0 0 391.331 2.355 10 0 GEAERN COCCN1CCN([C@H](C)C(=O)Nc2ccc(Br)cc2)C[C@@H]1C ZINC000247561717 645514156 /nfs/dbraw/zinc/51/41/56/645514156.db2.gz GDHYGHMJUCOJIB-UONOGXRCSA-N 0 0 384.318 2.429 10 0 GEAERN CC[C@H]1CN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)CCN1CCOC ZINC000248779019 645539172 /nfs/dbraw/zinc/53/91/72/645539172.db2.gz UUEHVUXDKOZSLH-DOTOQJQBSA-N 0 0 397.313 2.322 10 0 GEAERN C[C@H](O)CN1CCN(C(=O)c2cc(Br)ncc2Cl)C[C@@H]1C ZINC000253202198 645568759 /nfs/dbraw/zinc/56/87/59/645568759.db2.gz BMFIFDBLIZFQQG-UWVGGRQHSA-N 0 0 376.682 2.025 10 0 GEAERN CC(=O)N[C@@H]1CCCN(S(=O)(=O)/C=C\c2cccc(Br)c2)C1 ZINC000254973504 645574073 /nfs/dbraw/zinc/57/40/73/645574073.db2.gz AHIAPZQICCYSTO-SOIVGHGOSA-N 0 0 387.299 2.350 10 0 GEAERN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N=c2sccn2C)cc1 ZINC000255891813 645586359 /nfs/dbraw/zinc/58/63/59/645586359.db2.gz XWKCWBLXGBEVAX-OAHLLOKOSA-N 0 0 381.523 2.216 10 0 GEAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(CC(=O)Nc2ccccc2Br)CC1 ZINC000262487302 645633109 /nfs/dbraw/zinc/63/31/09/645633109.db2.gz FMGQMFYUERELAC-ZDUSSCGKSA-N 0 0 398.301 2.259 10 0 GEAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000262952519 645648887 /nfs/dbraw/zinc/64/88/87/645648887.db2.gz JBEDBSKGPDZYFK-LLVKDONJSA-N 0 0 378.853 2.039 10 0 GEAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NC(=O)c2csc(C(F)(F)F)n2)C1 ZINC000263400912 645664098 /nfs/dbraw/zinc/66/40/98/645664098.db2.gz GNEBSWXBSULDKG-UHFFFAOYSA-N 0 0 377.388 2.219 10 0 GEAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)CCO1 ZINC000263502401 645667342 /nfs/dbraw/zinc/66/73/42/645667342.db2.gz UFPIPQKEUUWOBW-NSHDSACASA-N 0 0 376.240 2.243 10 0 GEAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(Cc2ccc(Br)c(Cl)c2)CCO1 ZINC000263517688 645667900 /nfs/dbraw/zinc/66/79/00/645667900.db2.gz PJQUEJZPYHGXIH-LBPRGKRZSA-N 0 0 391.693 2.320 10 0 GEAERN O=S(=O)(NC[C@@H]1CCn2ccnc2C1)c1ccccc1OC(F)(F)F ZINC000328619976 647311001 /nfs/dbraw/zinc/31/10/01/647311001.db2.gz GPNCBYZMAZKADH-LLVKDONJSA-N 0 0 375.372 2.323 10 0 GEAERN Cc1c(Br)cccc1S(=O)(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1 ZINC000328628387 647311514 /nfs/dbraw/zinc/31/15/14/647311514.db2.gz NSNINVHUFXLLPT-CYBMUJFWSA-N 0 0 399.314 2.158 10 0 GEAERN NC(=O)C1CC(NC(=O)c2cc(Br)sc2Br)C1 ZINC000716773507 651474442 /nfs/dbraw/zinc/47/44/42/651474442.db2.gz BMMAJVNINCMCEV-UHFFFAOYSA-N 0 0 382.077 2.267 10 0 GEAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cc(Cl)ncc2Cl)C1 ZINC000702798059 653320164 /nfs/dbraw/zinc/32/01/64/653320164.db2.gz RPBHZZAZJGVXHF-CABZTGNLSA-N 0 0 390.267 2.346 10 0 GEAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cc(Cl)ncc2Cl)C1 ZINC000702798063 653320415 /nfs/dbraw/zinc/32/04/15/653320415.db2.gz RPBHZZAZJGVXHF-SKDRFNHKSA-N 0 0 390.267 2.346 10 0 GEAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cccc(Br)c2)C1 ZINC000705653604 653321191 /nfs/dbraw/zinc/32/11/91/653321191.db2.gz AALAMXQSSQGLLX-GXTWGEPZSA-N 0 0 399.285 2.407 10 0 GEAERN O=C(NCCNc1ncnc2sccc21)C1C[C@H]2CSC[C@@H](C1)C2=O ZINC000900262079 654057109 /nfs/dbraw/zinc/05/71/09/654057109.db2.gz MEZGXBDBNHLDTQ-YOGCLGLASA-N 0 0 376.507 2.178 10 0 GEAERN NC(=O)[C@@H](c1ccc(Br)cc1)N1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000931120603 654729804 /nfs/dbraw/zinc/72/98/04/654729804.db2.gz BLFBVEDJJJOLHW-GOEBONIOSA-N 0 0 390.285 2.391 10 0 GEAERN COc1ccc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc1 ZINC000015051857 210146353 /nfs/dbraw/zinc/14/63/53/210146353.db2.gz SMOJSQYKACRSRZ-BOPFTXTBSA-N 0 0 381.388 2.235 10 0 GEAERN COc1cccc(OC[C@H](O)CNC(=O)c2cc(Cc3ccccc3)no2)c1 ZINC000014974584 210138105 /nfs/dbraw/zinc/13/81/05/210138105.db2.gz BTTPTTVTPQBFST-QGZVFWFLSA-N 0 0 382.416 2.444 10 0 GEAERN Cc1c([C@H](C)NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cnn1-c1ccccn1 ZINC000011665432 209878842 /nfs/dbraw/zinc/87/88/42/209878842.db2.gz BEMTUTHKTNWVJL-LBPRGKRZSA-N 0 0 389.415 2.293 10 0 GEAERN Cn1nccc1C1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000152118633 531532336 /nfs/dbraw/zinc/53/23/36/531532336.db2.gz JYVUNCAHIYBCBH-UHFFFAOYSA-N 0 0 381.885 2.497 10 0 GEAERN C[C@@H](NC(=O)COc1ccc(F)c(Cl)c1)c1ccc(S(N)(=O)=O)cc1 ZINC000008099036 531545385 /nfs/dbraw/zinc/54/53/85/531545385.db2.gz HNCFXZFCYXKVPD-SNVBAGLBSA-N 0 0 386.832 2.383 10 0 GEAERN Cc1noc([C@@H]2COCCN2C(=O)Cc2cc(Br)ccc2F)n1 ZINC000152762886 531569068 /nfs/dbraw/zinc/56/90/68/531569068.db2.gz RRCWBDWFCSTPNO-ZDUSSCGKSA-N 0 0 384.205 2.422 10 0 GEAERN Cc1ccccc1[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000016087394 531571007 /nfs/dbraw/zinc/57/10/07/531571007.db2.gz ASERCJNESNNFGP-AWEZNQCLSA-N 0 0 382.507 2.285 10 0 GEAERN Cc1cnn(C[C@H]2CN(C[C@H](O)c3ccccc3Br)CCO2)c1 ZINC000152958517 531580708 /nfs/dbraw/zinc/58/07/08/531580708.db2.gz LXMFCTKHLFZVGV-PBHICJAKSA-N 0 0 380.286 2.388 10 0 GEAERN C[C@H]1CN(C(=O)Cc2cc(Br)ccc2F)C[C@H]1N1CCOCC1 ZINC000153266301 531593753 /nfs/dbraw/zinc/59/37/53/531593753.db2.gz JFAIZMFLNAGANE-BLLLJJGKSA-N 0 0 385.277 2.310 10 0 GEAERN Cc1ccc([C@H](C)NC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)o1 ZINC000153450727 531600355 /nfs/dbraw/zinc/60/03/55/531600355.db2.gz DWBHMMSTTBDQAY-JTQLQIEISA-N 0 0 383.392 2.262 10 0 GEAERN O=S(=O)(c1ccc(C(F)(F)F)cc1Cl)N1CC[C@@H](N2CCOCC2)C1 ZINC000154926109 531643696 /nfs/dbraw/zinc/64/36/96/531643696.db2.gz RWLUOWXREULFSM-GFCCVEGCSA-N 0 0 398.834 2.454 10 0 GEAERN COc1ccc(C(=O)NCCn2cc(C)cn2)cc1I ZINC000155348873 531678812 /nfs/dbraw/zinc/67/88/12/531678812.db2.gz RNYORVAIVBTQBO-UHFFFAOYSA-N 0 0 385.205 2.235 10 0 GEAERN CS(=O)(=O)c1ccc(Br)c(C(=O)NC[C@@H]2CCCC[C@@H]2O)c1 ZINC000155490641 531685614 /nfs/dbraw/zinc/68/56/14/531685614.db2.gz UMTSJXNDHZJJJR-HZMBPMFUSA-N 0 0 390.299 2.134 10 0 GEAERN NS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000045614038 531693476 /nfs/dbraw/zinc/69/34/76/531693476.db2.gz QMBKASXCUAYTDT-NWDGAFQWSA-N 0 0 379.404 2.254 10 0 GEAERN Cn1cc([C@H]2CCCN2C(=O)Nc2cc(Br)c(=O)n(C)c2)cn1 ZINC000156207870 531721687 /nfs/dbraw/zinc/72/16/87/531721687.db2.gz NDGBVWVOVOHMKV-CYBMUJFWSA-N 0 0 380.246 2.250 10 0 GEAERN C[C@H]1CN(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C[C@H](C)O1 ZINC000051118642 531740481 /nfs/dbraw/zinc/74/04/81/531740481.db2.gz RJWJHZXXMSKDBE-STQMWFEESA-N 0 0 387.311 2.146 10 0 GEAERN C[C@H](NC(=O)c1cncc(I)c1)c1nnc2n1CCCC2 ZINC000158093188 531764993 /nfs/dbraw/zinc/76/49/93/531764993.db2.gz WEBLSDUZVIUYRZ-VIFPVBQESA-N 0 0 397.220 2.105 10 0 GEAERN NS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCc3cc(Cl)ccc32)cc1 ZINC000056909804 531815339 /nfs/dbraw/zinc/81/53/39/531815339.db2.gz RICYUVJADMGSPK-INIZCTEOSA-N 0 0 379.869 2.474 10 0 GEAERN COC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(Cl)ccc1Br ZINC000162755157 531848979 /nfs/dbraw/zinc/84/89/79/531848979.db2.gz GFDHQRDQURTEMN-LLVKDONJSA-N 0 0 389.633 2.205 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ncc(C)cc1Br ZINC000162858597 531851028 /nfs/dbraw/zinc/85/10/28/531851028.db2.gz IFJHUHGMLZMMKR-LBPRGKRZSA-N 0 0 390.303 2.295 10 0 GEAERN C[C@H]1CC[C@H](NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)c2ccccc21 ZINC000162306455 531841759 /nfs/dbraw/zinc/84/17/59/531841759.db2.gz CAWAWEKDJZMNFT-SJCJKPOMSA-N 0 0 380.491 2.251 10 0 GEAERN COC(=O)[C@@H]1C[C@H]1C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000170761751 531892035 /nfs/dbraw/zinc/89/20/35/531892035.db2.gz ASCGDRKCWILNNH-HUUCEWRRSA-N 0 0 396.281 2.423 10 0 GEAERN COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000170756749 531892407 /nfs/dbraw/zinc/89/24/07/531892407.db2.gz QLNWNWVXBJKOIB-QWHCGFSZSA-N 0 0 378.226 2.442 10 0 GEAERN O=C(CN1CCO[C@@H](c2nccs2)C1)Nc1ccc(Br)cn1 ZINC000171665368 531909695 /nfs/dbraw/zinc/90/96/95/531909695.db2.gz ITHDYCWSYGSOQT-LLVKDONJSA-N 0 0 383.271 2.313 10 0 GEAERN Cc1nc(CN2CCCN(C(=O)Cc3cccc(Br)c3)CC2)no1 ZINC000171863858 531923003 /nfs/dbraw/zinc/92/30/03/531923003.db2.gz RLCJBFPFXXIZBA-UHFFFAOYSA-N 0 0 393.285 2.418 10 0 GEAERN CCCOc1c(Br)cc([C@@H]2NC(=O)[C@@H]3COCCN23)cc1OC ZINC000093885226 531927736 /nfs/dbraw/zinc/92/77/36/531927736.db2.gz PZUTUJIIBHIZLZ-SWLSCSKDSA-N 0 0 385.258 2.076 10 0 GEAERN CCn1ccnc1CS(=O)(=O)CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000105715256 531940648 /nfs/dbraw/zinc/94/06/48/531940648.db2.gz UGWMGPKUDGXQPO-UHFFFAOYSA-N 0 0 387.864 2.269 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)COc1ccc(Br)cc1)CC2 ZINC000114871810 531957212 /nfs/dbraw/zinc/95/72/12/531957212.db2.gz CLCCPOFWEBLMLI-LBPRGKRZSA-N 0 0 379.258 2.113 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)c1ccccc1I)CC2 ZINC000114862489 531957455 /nfs/dbraw/zinc/95/74/55/531957455.db2.gz BJDJXGVLDBQQRP-SNVBAGLBSA-N 0 0 396.232 2.190 10 0 GEAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1cc(Br)ccc1C)CC2 ZINC000114875094 531957946 /nfs/dbraw/zinc/95/79/46/531957946.db2.gz ASVQNWHBGTTYBB-GFCCVEGCSA-N 0 0 399.314 2.205 10 0 GEAERN Cc1csc([C@H]2CCCN(C(=O)CCCS(=O)(=O)N3CCCC3)C2)n1 ZINC000173073708 531984863 /nfs/dbraw/zinc/98/48/63/531984863.db2.gz SXDRSSVHLBPWTO-HNNXBMFYSA-N 0 0 385.555 2.363 10 0 GEAERN C[C@H](NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)c1ccc(Cl)cc1 ZINC000173088580 531985839 /nfs/dbraw/zinc/98/58/39/531985839.db2.gz WTAFVWFGSKZRBY-NSHDSACASA-N 0 0 380.853 2.090 10 0 GEAERN CC(=O)N[C@H]1CCCN([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000120838828 531998880 /nfs/dbraw/zinc/99/88/80/531998880.db2.gz MNYJPKYBUPYARW-GUYCJALGSA-N 0 0 396.329 2.397 10 0 GEAERN Cc1c(Cl)cc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)cc1Cl ZINC000173351153 532006013 /nfs/dbraw/zinc/00/60/13/532006013.db2.gz FDGOKBZEKNFLDV-CYBMUJFWSA-N 0 0 386.279 2.173 10 0 GEAERN CNc1cc(N2CCC[C@H]2CNC(=O)Cc2sc(=S)[nH]c2C)ncn1 ZINC000173431157 532010946 /nfs/dbraw/zinc/01/09/46/532010946.db2.gz JBIRLMDCMRSPFS-NSHDSACASA-N 0 0 378.527 2.274 10 0 GEAERN COC(=O)[C@H](c1cccc(Br)c1)N1CCO[C@H](c2nnc(C)[nH]2)C1 ZINC000121073011 532011043 /nfs/dbraw/zinc/01/10/43/532011043.db2.gz KLNOFHBLXYFFSV-KBPBESRZSA-N 0 0 395.257 2.163 10 0 GEAERN Cc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173696266 532027660 /nfs/dbraw/zinc/02/76/60/532027660.db2.gz JYHVUOPZEMXCBU-CYBMUJFWSA-N 0 0 392.257 2.151 10 0 GEAERN Cc1nnc([C@H]2CN(CC(=O)Nc3ccc(Br)cc3C)CCO2)[nH]1 ZINC000173715894 532028094 /nfs/dbraw/zinc/02/80/94/532028094.db2.gz XFOOFZHYISRKKW-CQSZACIVSA-N 0 0 394.273 2.196 10 0 GEAERN CCCOC(=O)c1ccc(NC(=O)CN2CCC(C(=O)OCC)CC2)cc1 ZINC000007812045 209746406 /nfs/dbraw/zinc/74/64/06/209746406.db2.gz VWRGFNAIFLSLAP-UHFFFAOYSA-N 0 0 376.453 2.467 10 0 GEAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CCO2)[nH]1 ZINC000173733545 532029177 /nfs/dbraw/zinc/02/91/77/532029177.db2.gz NFLKYEXPZDLSTB-LBPRGKRZSA-N 0 0 377.253 2.182 10 0 GEAERN CS(=O)(=O)Cc1nc(CN2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cs1 ZINC000121450727 532030701 /nfs/dbraw/zinc/03/07/01/532030701.db2.gz KPASFDZQPJWOPZ-SWLSCSKDSA-N 0 0 388.461 2.274 10 0 GEAERN O=C(NCc1cc(F)cc(Br)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173781938 532031744 /nfs/dbraw/zinc/03/17/44/532031744.db2.gz GWNKUGVBDYUKTR-OAHLLOKOSA-N 0 0 386.265 2.204 10 0 GEAERN COc1ccc(Br)cc1CC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000173807567 532034865 /nfs/dbraw/zinc/03/48/65/532034865.db2.gz QQKNXBAITRLKBD-BBRMVZONSA-N 0 0 397.313 2.179 10 0 GEAERN COc1ccc(Br)c(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000173818850 532035680 /nfs/dbraw/zinc/03/56/80/532035680.db2.gz LAIGYXTTZQTISF-BLLLJJGKSA-N 0 0 383.286 2.250 10 0 GEAERN COc1cc(Br)ccc1C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000173845296 532037337 /nfs/dbraw/zinc/03/73/37/532037337.db2.gz ABLHHSITXDCFEE-DOMZBBRYSA-N 0 0 383.286 2.250 10 0 GEAERN COc1ccc(Br)c(NC(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000173899379 532040308 /nfs/dbraw/zinc/04/03/08/532040308.db2.gz MSOGZHOYUOPCGL-LBPRGKRZSA-N 0 0 384.274 2.396 10 0 GEAERN C[C@H](NS(=O)(=O)c1ccccc1Br)c1nnc2n1CCCC2 ZINC000121742017 532045150 /nfs/dbraw/zinc/04/51/50/532045150.db2.gz GCDJZYSGKIGZHT-JTQLQIEISA-N 0 0 385.287 2.416 10 0 GEAERN Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)cc1C(F)(F)F ZINC000174001340 532045261 /nfs/dbraw/zinc/04/52/61/532045261.db2.gz DDEYTOKBNSIVKZ-CYBMUJFWSA-N 0 0 378.416 2.109 10 0 GEAERN Cc1nnc([C@H]2CN(CCC(=O)Nc3ccc(Br)cc3)CCO2)[nH]1 ZINC000174099598 532048514 /nfs/dbraw/zinc/04/85/14/532048514.db2.gz ZEKXNEAUFXZMMK-CQSZACIVSA-N 0 0 394.273 2.278 10 0 GEAERN COc1ccc(CN2CCO[C@H](c3nnc(C)[nH]3)C2)c(Br)c1OC ZINC000174099890 532049161 /nfs/dbraw/zinc/04/91/61/532049161.db2.gz IWANJNHXQCKUMF-ZDUSSCGKSA-N 0 0 397.273 2.466 10 0 GEAERN C[C@@H](O)CN1CCN(C(=O)C2(c3cccc(Br)c3)CC2)C[C@@H]1C ZINC000174317992 532061107 /nfs/dbraw/zinc/06/11/07/532061107.db2.gz OPUAPAWYDVCEND-UONOGXRCSA-N 0 0 381.314 2.394 10 0 GEAERN Cc1cnn(CCNC(=O)Nc2cc(Br)cnc2-n2cccn2)c1 ZINC000122515467 532073425 /nfs/dbraw/zinc/07/34/25/532073425.db2.gz YLJWWHIRFYUESM-UHFFFAOYSA-N 0 0 390.245 2.356 10 0 GEAERN COc1cc(Br)ccc1C(=O)N1CCOC[C@H]1c1nc(C)no1 ZINC000122719353 532081635 /nfs/dbraw/zinc/08/16/35/532081635.db2.gz YBTMSAVMQYWLLX-LBPRGKRZSA-N 0 0 382.214 2.363 10 0 GEAERN Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(Br)o3)C2=O)n(C)n1 ZINC000175019887 532086763 /nfs/dbraw/zinc/08/67/63/532086763.db2.gz APKYAVQVSBDIFI-SNVBAGLBSA-N 0 0 381.230 2.009 10 0 GEAERN Cc1cc(N2CCC[C@@H](NC(=O)c3nc(Cl)ccc3Cl)C2=O)n(C)n1 ZINC000175021543 532087245 /nfs/dbraw/zinc/08/72/45/532087245.db2.gz SLEKFSYVLHMIPH-LLVKDONJSA-N 0 0 382.251 2.356 10 0 GEAERN C[C@@H]1CCCN(S(=O)(=O)N(C)C[C@@H](c2cccs2)N2CCOCC2)C1 ZINC000175213492 532092831 /nfs/dbraw/zinc/09/28/31/532092831.db2.gz RHPFEJGYMYJWOK-CVEARBPZSA-N 0 0 387.571 2.030 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)NCc3cc(Br)cs3)CCO2)[nH]1 ZINC000175405697 532102651 /nfs/dbraw/zinc/10/26/51/532102651.db2.gz CJZLFIJJHUGPPN-NSHDSACASA-N 0 0 386.275 2.220 10 0 GEAERN CC(C)CC(=O)N[C@H](C(=O)Nc1cc(Br)cn(C)c1=O)C(C)C ZINC000175556427 532108282 /nfs/dbraw/zinc/10/82/82/532108282.db2.gz VKFSJYNFIDDREJ-AWEZNQCLSA-N 0 0 386.290 2.273 10 0 GEAERN CCC1CCC(NC(=O)C(=O)Nc2cc(Br)cn(C)c2=O)CC1 ZINC000123997117 532112944 /nfs/dbraw/zinc/11/29/44/532112944.db2.gz DBGVSSDIMSTUSQ-UHFFFAOYSA-N 0 0 384.274 2.171 10 0 GEAERN C[C@@H]1CN(C(=O)NCc2sccc2Br)C[C@H]1N1CCOCC1 ZINC000175730785 532113074 /nfs/dbraw/zinc/11/30/74/532113074.db2.gz ZHZIZFMTQYBFIV-DGCLKSJQSA-N 0 0 388.331 2.373 10 0 GEAERN C[C@@H]1CN(C(=O)NCc2nc(C(F)(F)F)cs2)C[C@H]1N1CCOCC1 ZINC000175807188 532116085 /nfs/dbraw/zinc/11/60/85/532116085.db2.gz ALRCBWRXJYOUQW-GHMZBOCLSA-N 0 0 378.420 2.024 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)CCc3ccc(Br)cc3)CCO2)[nH]1 ZINC000176504625 532140108 /nfs/dbraw/zinc/14/01/08/532140108.db2.gz ZPMNLMSCFNZERP-CQSZACIVSA-N 0 0 379.258 2.408 10 0 GEAERN COc1ccc(C(=O)N[C@H]2CCCn3ncnc32)c(I)c1 ZINC000124619693 532125984 /nfs/dbraw/zinc/12/59/84/532125984.db2.gz LWMQNDJRJRZOOK-LBPRGKRZSA-N 0 0 398.204 2.156 10 0 GEAERN O=C(CNC(=O)c1ccc(Br)s1)N1CCC[C@@H]1Cn1ccnc1 ZINC000176185134 532128662 /nfs/dbraw/zinc/12/86/62/532128662.db2.gz KVYMMHKWSBUFDM-LLVKDONJSA-N 0 0 397.298 2.128 10 0 GEAERN CC(C)[C@H](NC(=O)c1ccc(I)c(Cl)c1)C(N)=O ZINC000176309254 532133141 /nfs/dbraw/zinc/13/31/41/532133141.db2.gz ILCCMXHZHXUKQG-JTQLQIEISA-N 0 0 380.613 2.184 10 0 GEAERN C[NH+](C)C[C@@H]1CN(C(=O)c2cc(Cl)cc(Br)c2[O-])CCO1 ZINC000176298199 532133149 /nfs/dbraw/zinc/13/31/49/532133149.db2.gz SSDLGRCQRLORBY-SNVBAGLBSA-N 0 0 377.666 2.211 10 0 GEAERN O=C(CNC(=O)N[C@@H]1CCCn2ncnc21)Nc1cc(Cl)ccc1Cl ZINC000176345259 532135259 /nfs/dbraw/zinc/13/52/59/532135259.db2.gz AMVYQIAKIRNEFU-LLVKDONJSA-N 0 0 383.239 2.358 10 0 GEAERN C[C@H](NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000125491569 532135876 /nfs/dbraw/zinc/13/58/76/532135876.db2.gz OGWUYDIHWPMWQI-GXFFZTMASA-N 0 0 375.288 2.339 10 0 GEAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1ccc2ncc(I)n2c1 ZINC000176850522 532151951 /nfs/dbraw/zinc/15/19/51/532151951.db2.gz UUECJPJNTCRVNF-NXEZZACHSA-N 0 0 385.205 2.188 10 0 GEAERN Cc1ccc([C@H](CNC(=O)c2cc(C(N)=O)cs2)N2CCOCC2)s1 ZINC000176555350 532140389 /nfs/dbraw/zinc/14/03/89/532140389.db2.gz HSTVELJKYIYNPN-ZDUSSCGKSA-N 0 0 379.507 2.020 10 0 GEAERN CC(C)n1nnnc1C[S@@](=O)CC(=O)Nc1cccc(Cl)c1Cl ZINC000176563721 532141538 /nfs/dbraw/zinc/14/15/38/532141538.db2.gz YYBBYMYTKKMFBP-HSZRJFAPSA-N 0 0 376.269 2.448 10 0 GEAERN CC(C)n1nnnc1C[S@](=O)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000176566483 532141634 /nfs/dbraw/zinc/14/16/34/532141634.db2.gz ZNJCZWRPQVICKR-QHCPKHFHSA-N 0 0 376.269 2.448 10 0 GEAERN CC(C)n1nnnc1C[S@](=O)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000176573415 532141858 /nfs/dbraw/zinc/14/18/58/532141858.db2.gz OMVBZCGTRHARCF-QHCPKHFHSA-N 0 0 376.269 2.448 10 0 GEAERN CN1CCO[C@@H](CNC(=O)NCC(C)(C)c2ccccc2Br)C1 ZINC000126113036 532144830 /nfs/dbraw/zinc/14/48/30/532144830.db2.gz QLJADSYENZECHT-ZDUSSCGKSA-N 0 0 384.318 2.357 10 0 GEAERN O=C(c1c[nH]c(=O)c(Br)c1)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000177219971 532164369 /nfs/dbraw/zinc/16/43/69/532164369.db2.gz ATBCCRSQESJPKY-WCQYABFASA-N 0 0 381.226 2.459 10 0 GEAERN Fc1cc(Br)cc(CN2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000177709089 532179624 /nfs/dbraw/zinc/17/96/24/532179624.db2.gz YNXUOONGQAHACF-UHFFFAOYSA-N 0 0 391.248 2.348 10 0 GEAERN O=C(N[C@H]1CCCC[C@H]1CO)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000177744000 532181189 /nfs/dbraw/zinc/18/11/89/532181189.db2.gz QJAVFFMDDHEYKX-FZMZJTMJSA-N 0 0 399.260 2.145 10 0 GEAERN O=C(N[C@H]1CCCC[C@@H]1CO)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000177743969 532181325 /nfs/dbraw/zinc/18/13/25/532181325.db2.gz QJAVFFMDDHEYKX-RISCZKNCSA-N 0 0 399.260 2.145 10 0 GEAERN CCc1nnc([C@@H]2CN(Cc3cnc4ccc(Br)cn34)CCO2)[nH]1 ZINC000129183669 532174341 /nfs/dbraw/zinc/17/43/41/532174341.db2.gz KYRSJNLNRYMRAO-ZDUSSCGKSA-N 0 0 391.273 2.351 10 0 GEAERN COCc1c(Br)cccc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000177547413 532175639 /nfs/dbraw/zinc/17/56/39/532175639.db2.gz FBHFZUVDRWIKTH-RISCZKNCSA-N 0 0 399.285 2.201 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1Cl)CC2 ZINC000177636764 532177754 /nfs/dbraw/zinc/17/77/54/532177754.db2.gz IKLVMOJDKFIMCJ-SECBINFHSA-N 0 0 382.251 2.217 10 0 GEAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)CCN1C[C@@H](C)O ZINC000177615737 532177809 /nfs/dbraw/zinc/17/78/09/532177809.db2.gz QEJAAICHRMFDKJ-DGCLKSJQSA-N 0 0 388.295 2.236 10 0 GEAERN O=C(NCCc1ccc(Cl)nc1)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000178083689 532192180 /nfs/dbraw/zinc/19/21/80/532192180.db2.gz BPFNPEPEGKATJI-CQSZACIVSA-N 0 0 379.869 2.495 10 0 GEAERN CCc1nnc([C@H]2CN(C(=O)NCc3cccc(Br)c3)CCO2)[nH]1 ZINC000178029129 532190496 /nfs/dbraw/zinc/19/04/96/532190496.db2.gz UIILVRJUWIOIAP-CYBMUJFWSA-N 0 0 394.273 2.413 10 0 GEAERN Cc1[nH]c(=O)c(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)cc1Br ZINC000131903788 532206951 /nfs/dbraw/zinc/20/69/51/532206951.db2.gz AWZUCBXEPJQODK-JTQLQIEISA-N 0 0 394.273 2.318 10 0 GEAERN CS(=O)(=O)N1CCC(CNC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000132134501 532209550 /nfs/dbraw/zinc/20/95/50/532209550.db2.gz BMWYDSGBYFSAHO-OLZOCXBDSA-N 0 0 385.452 2.078 10 0 GEAERN COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1Cl ZINC000133257352 532230413 /nfs/dbraw/zinc/23/04/13/532230413.db2.gz RXTLQEXSJROHPD-LLVKDONJSA-N 0 0 383.857 2.038 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(Br)cc1C ZINC000133417236 532234651 /nfs/dbraw/zinc/23/46/51/532234651.db2.gz UGTWXKGCCIWAPB-LBPRGKRZSA-N 0 0 385.287 2.471 10 0 GEAERN O=C(NC[C@H](O)CN1CCOCC1)c1ccc2cc(Br)ccc2c1 ZINC000132689507 532219776 /nfs/dbraw/zinc/21/97/76/532219776.db2.gz PZPAKTOMUNPKFI-KRWDZBQOSA-N 0 0 393.281 2.025 10 0 GEAERN O=C(c1cnn2cc(Br)cnc12)N1CC[C@@H](Oc2cccnc2)C1 ZINC000179827349 532246395 /nfs/dbraw/zinc/24/63/95/532246395.db2.gz ZDTHCNHJTFSFEB-CYBMUJFWSA-N 0 0 388.225 2.180 10 0 GEAERN O=C(c1cnn2cc(Br)cnc12)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000179842452 532246683 /nfs/dbraw/zinc/24/66/83/532246683.db2.gz WVSMTGKNMWMNBT-BDJLRTHQSA-N 0 0 379.258 2.259 10 0 GEAERN CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C1 ZINC000179844953 532246829 /nfs/dbraw/zinc/24/68/29/532246829.db2.gz PFCIZBOXPYXIAE-VIFPVBQESA-N 0 0 390.228 2.266 10 0 GEAERN CCc1nnc(CS(=O)(=O)Cc2cc(Br)ccc2OC)n1C ZINC000180043628 532255023 /nfs/dbraw/zinc/25/50/23/532255023.db2.gz CEVXMAAYWGCKES-UHFFFAOYSA-N 0 0 388.287 2.264 10 0 GEAERN Cc1nc(S(=O)(=O)N2C[C@@H]3CCCN3C[C@@H]2C)sc1Br ZINC000180076451 532255824 /nfs/dbraw/zinc/25/58/24/532255824.db2.gz XMZKTPHNRXARNU-WPRPVWTQSA-N 0 0 380.333 2.071 10 0 GEAERN NC(=O)[C@H]1COCCN1C(=O)CCCSc1ccc(Br)cc1 ZINC000180201540 532260574 /nfs/dbraw/zinc/26/05/74/532260574.db2.gz IGFCPRCEVPFZEN-CYBMUJFWSA-N 0 0 387.299 2.034 10 0 GEAERN C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)C[C@H]1N1CCOCC1 ZINC000180256334 532263839 /nfs/dbraw/zinc/26/38/39/532263839.db2.gz BGCQEASQUWLUIQ-IAQYHMDHSA-N 0 0 386.279 2.111 10 0 GEAERN C[C@@H](NC(=O)c1sccc1S(=O)(=O)C(F)F)c1nnc2n1CCCC2 ZINC000135261412 532268917 /nfs/dbraw/zinc/26/89/17/532268917.db2.gz DBFKITODPVVMSH-MRVPVSSYSA-N 0 0 390.437 2.163 10 0 GEAERN Cc1noc([C@@H](C)N2CCN(C(=O)c3cccnc3Br)CC2)n1 ZINC000135470701 532274958 /nfs/dbraw/zinc/27/49/58/532274958.db2.gz FKCNCAGQPGDYCU-SNVBAGLBSA-N 0 0 380.246 2.055 10 0 GEAERN Cc1noc([C@H](C)N2CCN(C(=O)c3cccnc3Br)CC2)n1 ZINC000135470725 532274971 /nfs/dbraw/zinc/27/49/71/532274971.db2.gz FKCNCAGQPGDYCU-JTQLQIEISA-N 0 0 380.246 2.055 10 0 GEAERN CC(C)[C@H](C)NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 ZINC000135800797 532280125 /nfs/dbraw/zinc/28/01/25/532280125.db2.gz PDTFLZKPJGMKBE-SWLSCSKDSA-N 0 0 388.917 2.034 10 0 GEAERN COc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCCCC[C@H]1O ZINC000136013839 532282051 /nfs/dbraw/zinc/28/20/51/532282051.db2.gz NBORLGBBVLHDSW-VXGBXAGGSA-N 0 0 378.288 2.430 10 0 GEAERN Cc1nc(Br)ccc1NC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000181322276 532295868 /nfs/dbraw/zinc/29/58/68/532295868.db2.gz GZGPQQALKRGJNH-FZMZJTMJSA-N 0 0 383.290 2.337 10 0 GEAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000181441323 532298924 /nfs/dbraw/zinc/29/89/24/532298924.db2.gz UGJUQMZRLIRYBB-LLVKDONJSA-N 0 0 392.253 2.272 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)Nc1cnc(Br)c(C)c1)CC2 ZINC000182452148 532313348 /nfs/dbraw/zinc/31/33/48/532313348.db2.gz ZENYFMDEFMDQKC-SNVBAGLBSA-N 0 0 379.262 2.443 10 0 GEAERN Cc1noc([C@H]2COCCN2C(=O)Cc2ccc(Br)c(F)c2)n1 ZINC000182820996 532318358 /nfs/dbraw/zinc/31/83/58/532318358.db2.gz OACCVMJPINSNRG-CYBMUJFWSA-N 0 0 384.205 2.422 10 0 GEAERN CCn1c(C)nnc1CS(=O)(=O)c1nnc(-c2ccccc2Cl)n1C ZINC000182813574 532318435 /nfs/dbraw/zinc/31/84/35/532318435.db2.gz HLDZIRZGORCJLF-UHFFFAOYSA-N 0 0 380.861 2.029 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000182965043 532320207 /nfs/dbraw/zinc/32/02/07/532320207.db2.gz SLHYIGUZJGDLGE-AWEZNQCLSA-N 0 0 378.416 2.267 10 0 GEAERN CS(=O)(=O)NCCNC(=O)[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000183031565 532321319 /nfs/dbraw/zinc/32/13/19/532321319.db2.gz JBIYQNYMNYYPHN-OCCSQVGLSA-N 0 0 395.308 2.127 10 0 GEAERN CCS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H]2CCCC[C@H]2O)c1 ZINC000183290538 532322979 /nfs/dbraw/zinc/32/29/79/532322979.db2.gz LBAUFODGVGGEBN-UONOGXRCSA-N 0 0 390.299 2.276 10 0 GEAERN COCC(=O)NC1CN(C(=O)c2sc(-c3ccc(Cl)s3)nc2C)C1 ZINC000185301982 532337523 /nfs/dbraw/zinc/33/75/23/532337523.db2.gz BFAQFIVLXVRMOU-UHFFFAOYSA-N 0 0 385.898 2.420 10 0 GEAERN COc1cc(Br)cc(S(=O)(=O)N[C@H](CO)c2ccccc2)c1 ZINC000185822597 532338855 /nfs/dbraw/zinc/33/88/55/532338855.db2.gz YKBGXSYFMWLCJW-OAHLLOKOSA-N 0 0 386.267 2.470 10 0 GEAERN COCCN1CCN(S(=O)(=O)c2cc(C)cc(Br)c2)C[C@H]1C ZINC000187239999 532343724 /nfs/dbraw/zinc/34/37/24/532343724.db2.gz GFBYGIKZIWONJY-CYBMUJFWSA-N 0 0 391.331 2.099 10 0 GEAERN C[C@H](Cc1cccc(Br)c1)NC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000186535316 532341156 /nfs/dbraw/zinc/34/11/56/532341156.db2.gz IWHSISGDLDHGBL-LLVKDONJSA-N 0 0 380.286 2.300 10 0 GEAERN C[N@H+](CC(=O)[O-])C1CCN(C(=O)COc2cc(Cl)ccc2Cl)CC1 ZINC000186626426 532341548 /nfs/dbraw/zinc/34/15/48/532341548.db2.gz HEBUZSJLMLJDGX-UHFFFAOYSA-N 0 0 375.252 2.380 10 0 GEAERN CCN(CC1CC1)S(=O)(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000183955029 532330340 /nfs/dbraw/zinc/33/03/40/532330340.db2.gz LOUJKPFZZQBATE-ZBFHGGJFSA-N 0 0 387.571 2.076 10 0 GEAERN COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000184642230 532334005 /nfs/dbraw/zinc/33/40/05/532334005.db2.gz HGQMBNSQCGGFRS-MFKMUULPSA-N 0 0 385.258 2.388 10 0 GEAERN Brc1ccc2[nH]c(CN3CCO[C@H](Cn4cccn4)C3)nc2c1 ZINC000184968311 532336439 /nfs/dbraw/zinc/33/64/39/532336439.db2.gz SZHRNKQZKDPTSP-ZDUSSCGKSA-N 0 0 376.258 2.423 10 0 GEAERN Cc1ccc(Br)cc1CNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000187803366 532345612 /nfs/dbraw/zinc/34/56/12/532345612.db2.gz NZGDKEXZWAITSB-INIZCTEOSA-N 0 0 382.302 2.374 10 0 GEAERN Cc1cc(S(=O)(=O)N2CCN([C@H](C)c3nc(C)no3)CC2)sc1Cl ZINC000187899074 532346039 /nfs/dbraw/zinc/34/60/39/532346039.db2.gz ULZYFZGKJSHPDL-SNVBAGLBSA-N 0 0 390.918 2.469 10 0 GEAERN COc1nc(C)c(Br)cc1C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000188136206 532346914 /nfs/dbraw/zinc/34/69/14/532346914.db2.gz KBBUJKUVWVRNAJ-NSHDSACASA-N 0 0 380.246 2.230 10 0 GEAERN C[C@H](C(=O)NCCOCC(F)F)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000191373175 532360584 /nfs/dbraw/zinc/36/05/84/532360584.db2.gz PHFIZRMZNCKFHS-SSDOTTSWSA-N 0 0 395.189 2.376 10 0 GEAERN COC(=O)[C@@]1(C)CCCN1S(=O)(=O)c1cc(Br)ccc1C ZINC000188207463 532347349 /nfs/dbraw/zinc/34/73/49/532347349.db2.gz QRJFBULLLWAQLB-CQSZACIVSA-N 0 0 376.272 2.474 10 0 GEAERN Cc1c(Br)cccc1CC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000188423129 532348061 /nfs/dbraw/zinc/34/80/61/532348061.db2.gz NWEIUQMPXSIDKP-GUYCJALGSA-N 0 0 381.314 2.479 10 0 GEAERN Cc1c2cc(Br)ccc2oc(=O)c1C(=O)N1CCCNC(=O)[C@H]1C ZINC000189232058 532351341 /nfs/dbraw/zinc/35/13/41/532351341.db2.gz GZXBFNBUMFTWLE-SNVBAGLBSA-N 0 0 393.237 2.215 10 0 GEAERN COc1cc(Br)ccc1[C@H](C)NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000189366702 532351941 /nfs/dbraw/zinc/35/19/41/532351941.db2.gz GJTIYPSHUDGNSB-WCQYABFASA-N 0 0 386.290 2.149 10 0 GEAERN CC[N@H+](C[C@@H](O)COc1cccc(Br)c1)C[C@H](O)C(F)(F)F ZINC000189458718 532352316 /nfs/dbraw/zinc/35/23/16/532352316.db2.gz NVTNRESJXDYXES-YPMHNXCESA-N 0 0 386.208 2.434 10 0 GEAERN CC(C)[C@H](NC(=O)Nc1ccnn1Cc1cccc(Br)c1)C(N)=O ZINC000189576678 532352951 /nfs/dbraw/zinc/35/29/51/532352951.db2.gz QCQHBTWARQBKEG-AWEZNQCLSA-N 0 0 394.273 2.325 10 0 GEAERN CC(=O)N[C@@H]1CCCN(C(=O)c2scc(C)c2I)C1 ZINC000189908235 532354069 /nfs/dbraw/zinc/35/40/69/532354069.db2.gz WHGAMGIQCUFIQU-SNVBAGLBSA-N 0 0 392.262 2.402 10 0 GEAERN Cc1cc(F)c(Br)cc1S(=O)(=O)N[C@H]1CCCn2ncnc21 ZINC000190062241 532354669 /nfs/dbraw/zinc/35/46/69/532354669.db2.gz ZYUFKXCCEDZKIZ-NSHDSACASA-N 0 0 389.250 2.302 10 0 GEAERN CC(=O)NC1CN(C(=O)NC[C@H](C)Sc2ccc(Br)cc2)C1 ZINC000190061067 532354685 /nfs/dbraw/zinc/35/46/85/532354685.db2.gz AULACZFOJVTUAR-JTQLQIEISA-N 0 0 386.315 2.460 10 0 GEAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C1 ZINC000190361672 532355735 /nfs/dbraw/zinc/35/57/35/532355735.db2.gz SVRAQBUVVVNDAF-SECBINFHSA-N 0 0 376.215 2.198 10 0 GEAERN O=C(Nc1ccccc1Br)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000190747207 532357675 /nfs/dbraw/zinc/35/76/75/532357675.db2.gz DAPQPGFHEGZFSZ-GFCCVEGCSA-N 0 0 377.242 2.275 10 0 GEAERN CCn1cc([C@H]2CN([C@H](C(N)=O)c3ccc(Br)cc3)CCO2)cn1 ZINC000190795400 532357968 /nfs/dbraw/zinc/35/79/68/532357968.db2.gz LVOSUWGRMZVFNV-CVEARBPZSA-N 0 0 393.285 2.265 10 0 GEAERN C[C@@H]1C(=O)NCCCN1S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000190990568 532359069 /nfs/dbraw/zinc/35/90/69/532359069.db2.gz FHJHAOVZAITLRY-MRVPVSSYSA-N 0 0 381.679 2.002 10 0 GEAERN COC(=O)C[C@H](NC(=O)CCCCC(N)=O)c1cccc(Br)c1 ZINC000187383699 532344322 /nfs/dbraw/zinc/34/43/22/532344322.db2.gz PLAJTDBRADJPEQ-ZDUSSCGKSA-N 0 0 385.258 2.215 10 0 GEAERN C[C@H](CNC(=O)N1CC(NC(=O)C2CC2)C1)Oc1ccccc1Br ZINC000187433678 532344514 /nfs/dbraw/zinc/34/45/14/532344514.db2.gz CWLINSIPGBQIRL-LLVKDONJSA-N 0 0 396.285 2.136 10 0 GEAERN CN(c1cccnn1)C1CCN(C(=O)c2nc(Br)cs2)CC1 ZINC000187539802 532344749 /nfs/dbraw/zinc/34/47/49/532344749.db2.gz YNZKVUWNELLOMB-UHFFFAOYSA-N 0 0 382.287 2.437 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)NCc2cc(Br)ccc2C)CC1 ZINC000187614644 532344944 /nfs/dbraw/zinc/34/49/44/532344944.db2.gz BLUJAJUFFQVOQQ-INIZCTEOSA-N 0 0 384.318 2.356 10 0 GEAERN C[N@H+](CC(=O)[O-])C1CCN(C(=O)C2(c3cccc(Br)c3)CC2)CC1 ZINC000191731796 532364995 /nfs/dbraw/zinc/36/49/95/532364995.db2.gz YVOSLFBGCHZGGM-UHFFFAOYSA-N 0 0 395.297 2.488 10 0 GEAERN O=C(Cc1ccc(I)cc1)N[C@H]1CCCn2ncnc21 ZINC000192054687 532380901 /nfs/dbraw/zinc/38/09/01/532380901.db2.gz SFBRROYJBASMQJ-LBPRGKRZSA-N 0 0 382.205 2.077 10 0 GEAERN COCCN1CCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H]1C ZINC000192072972 532384664 /nfs/dbraw/zinc/38/46/64/532384664.db2.gz ITWBQYYJVLOVQG-RHSMWYFYSA-N 0 0 396.329 2.207 10 0 GEAERN CC(C)CCS(=O)(=O)N1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000192232416 532396907 /nfs/dbraw/zinc/39/69/07/532396907.db2.gz IAWBRKNFUWTGEE-MRXNPFEDSA-N 0 0 376.563 2.490 10 0 GEAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1ncccc1Br ZINC000192516653 532404934 /nfs/dbraw/zinc/40/49/34/532404934.db2.gz DSSNENOMWOPHBA-GFCCVEGCSA-N 0 0 381.251 2.493 10 0 GEAERN CC[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)CCN1C[C@@H](C)O ZINC000192731547 532406876 /nfs/dbraw/zinc/40/68/76/532406876.db2.gz PUVYZHBOORJJCF-TZMCWYRMSA-N 0 0 378.897 2.086 10 0 GEAERN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(I)cn2)o1 ZINC000192838921 532413801 /nfs/dbraw/zinc/41/38/01/532413801.db2.gz FIIAWUONQBJYTR-VIFPVBQESA-N 0 0 399.188 2.404 10 0 GEAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000193923443 532437109 /nfs/dbraw/zinc/43/71/09/532437109.db2.gz UGMPPYKVOPUBFA-AWEZNQCLSA-N 0 0 395.253 2.040 10 0 GEAERN C[C@@H](NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F)[C@H]1CCCO1 ZINC000195235281 532472835 /nfs/dbraw/zinc/47/28/35/532472835.db2.gz KGIVEXAAQZIPLU-LDYMZIIASA-N 0 0 394.262 2.289 10 0 GEAERN C[C@@H](C(=O)NCC(F)(F)F)N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000246241024 532535440 /nfs/dbraw/zinc/53/54/40/532535440.db2.gz DFQUGNOUTKCFLV-QWHCGFSZSA-N 0 0 379.448 2.120 10 0 GEAERN Cc1nnc([C@H]2CN([C@H](C)C(=O)Nc3ccc(Br)cc3)CCO2)[nH]1 ZINC000246263216 532535462 /nfs/dbraw/zinc/53/54/62/532535462.db2.gz YWFFVHCMEQJKOU-QMTHXVAHSA-N 0 0 394.273 2.276 10 0 GEAERN C[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@H]1N1CCOCC1 ZINC000246501465 532541156 /nfs/dbraw/zinc/54/11/56/532541156.db2.gz NEHYSRBCHHYDBM-SMDDNHRTSA-N 0 0 379.309 2.335 10 0 GEAERN C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)C[C@H]1N1CCOCC1 ZINC000246560781 532541268 /nfs/dbraw/zinc/54/12/68/532541268.db2.gz RTIUPJLFBBCLGX-WCQYABFASA-N 0 0 379.309 2.335 10 0 GEAERN C[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C[C@H]1N1CCOCC1 ZINC000245736241 532523487 /nfs/dbraw/zinc/52/34/87/532523487.db2.gz QVSFAUAKXAIZCG-BLLLJJGKSA-N 0 0 393.336 2.476 10 0 GEAERN CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC000248888087 532557242 /nfs/dbraw/zinc/55/72/42/532557242.db2.gz RIJJSAKUFRFWAL-MNOVXSKESA-N 0 0 390.864 2.425 10 0 GEAERN C[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000262215445 532589302 /nfs/dbraw/zinc/58/93/02/532589302.db2.gz JBWAEJOCXNVCAI-WBMJQRKESA-N 0 0 393.285 2.204 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NCc2ccccc2Br)C1 ZINC000262873083 532604970 /nfs/dbraw/zinc/60/49/70/532604970.db2.gz AENHKDKDMCRMCE-UHFFFAOYSA-N 0 0 384.274 2.186 10 0 GEAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(c2ccnc3c(Br)cccc23)CCO1 ZINC000263439308 532625611 /nfs/dbraw/zinc/62/56/11/532625611.db2.gz WKTDRTDHXBFSFI-GFCCVEGCSA-N 0 0 394.269 2.219 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2c[nH]nc2-c2ccc(Cl)s2)C1 ZINC000263474609 532626185 /nfs/dbraw/zinc/62/61/85/532626185.db2.gz YWUYFLWXQFHDGG-UHFFFAOYSA-N 0 0 382.873 2.459 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NCc2cnc3c(C)cc(Br)cn23)C1 ZINC000263482276 532626494 /nfs/dbraw/zinc/62/64/94/532626494.db2.gz GNDSCPPMRIKWQS-UHFFFAOYSA-N 0 0 395.301 2.432 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NCc2ccc(C(=O)OC)cc2Br)C1 ZINC000263526704 532628148 /nfs/dbraw/zinc/62/81/48/532628148.db2.gz UHMQLWHOLJKJQM-UHFFFAOYSA-N 0 0 399.285 2.263 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NCc2ccc(I)cc2)C1 ZINC000263519108 532628726 /nfs/dbraw/zinc/62/87/26/532628726.db2.gz QCIXHDCFTXCBEZ-UHFFFAOYSA-N 0 0 388.249 2.318 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ncc(Br)s1 ZINC000635396534 532673274 /nfs/dbraw/zinc/67/32/74/532673274.db2.gz MVAVFMJQBPUHTH-QMMMGPOBSA-N 0 0 382.305 2.048 10 0 GEAERN CCNC(=O)[C@H]1CCCN(c2ccc(F)cc2S(=O)(=O)C(F)(F)F)C1 ZINC000301207393 532745209 /nfs/dbraw/zinc/74/52/09/532745209.db2.gz ZUQORLXZIHUBPP-JTQLQIEISA-N 0 0 382.379 2.472 10 0 GEAERN O=S(=O)(c1cc(F)ccc1F)N1CCN(c2nc(C3CC3)ns2)CC1 ZINC000301586679 532755174 /nfs/dbraw/zinc/75/51/74/532755174.db2.gz PDBBVPSHGXVMOY-UHFFFAOYSA-N 0 0 386.449 2.205 10 0 GEAERN O=S(=O)(CCNc1c(F)c(F)nc(F)c1F)N1CCc2ccccc21 ZINC000301613301 532756273 /nfs/dbraw/zinc/75/62/73/532756273.db2.gz TUXZUNFBVGESSR-UHFFFAOYSA-N 0 0 375.347 2.442 10 0 GEAERN CCCc1nnc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)s1 ZINC000301669139 532757112 /nfs/dbraw/zinc/75/71/12/532757112.db2.gz NNYJTSRNODXZCZ-UHFFFAOYSA-N 0 0 388.465 2.280 10 0 GEAERN Cc1cccc(NC2CCN(c3cnn(C)c(=O)c3Br)CC2)n1 ZINC000301305799 532748640 /nfs/dbraw/zinc/74/86/40/532748640.db2.gz UKLPXEMVRLPCQK-UHFFFAOYSA-N 0 0 378.274 2.327 10 0 GEAERN COc1ccc(S(=O)(=O)N2C[C@H](CO)[C@H](c3ccsc3)C2)cc1OC ZINC000328614314 532794174 /nfs/dbraw/zinc/79/41/74/532794174.db2.gz VOXFNNOSXKEDSA-HIFRSBDPSA-N 0 0 383.491 2.162 10 0 GEAERN O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Cl)nc1 ZINC000002380449 209360533 /nfs/dbraw/zinc/36/05/33/209360533.db2.gz ZDJQOIUUXFCSOQ-UHFFFAOYSA-N 0 0 393.774 2.353 10 0 GEAERN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccoc3)c(=O)n2[C@@H]1c1ccccc1 ZINC000000998574 209287762 /nfs/dbraw/zinc/28/77/62/209287762.db2.gz LUKOBPIERIPFTH-MUMAZLPKSA-N 0 0 394.452 2.391 10 0 GEAERN CCn1c2nc(/C=C/c3cc(OC)cc(OC)c3)n(C)c2c(=O)n(CC)c1=O ZINC000033984769 209247062 /nfs/dbraw/zinc/24/70/62/209247062.db2.gz MOUNFHMSTJIZDK-CMDGGOBGSA-N 0 0 384.436 2.124 10 0 GEAERN CC(C)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(N)=O ZINC000004764247 209231381 /nfs/dbraw/zinc/23/13/81/209231381.db2.gz JCFAUIGZYQYJPD-SJORKVTESA-N 0 0 377.485 2.344 10 0 GEAERN COC(=O)Cc1nn(CC(=O)Nc2cccc(C)c2C)c(=O)c2ccccc12 ZINC000041107422 212042111 /nfs/dbraw/zinc/04/21/11/212042111.db2.gz KEONQHBFHUIMFY-UHFFFAOYSA-N 0 0 379.416 2.368 10 0 GEAERN CCOCc1nn2c(nc(COC(=O)c3ccc(OCC)cc3)cc2=O)s1 ZINC000041077280 212042409 /nfs/dbraw/zinc/04/24/09/212042409.db2.gz QGJGFNLXELRXAX-UHFFFAOYSA-N 0 0 389.433 2.443 10 0 GEAERN Cn1c2c(nc1[C@@H]1CCCN1C[C@@H]1CCCN(S(C)(=O)=O)C1)CCCC2 ZINC000328645158 209152537 /nfs/dbraw/zinc/15/25/37/209152537.db2.gz SAPPBQSDULPHDW-YJBOKZPZSA-N 0 0 380.558 2.107 10 0 GEAERN O=S(=O)(NC[C@@H]1CCc2nccn2C1)c1ccccc1OC(F)(F)F ZINC000328624031 209148021 /nfs/dbraw/zinc/14/80/21/209148021.db2.gz JPLUKYBZHZVKDH-NSHDSACASA-N 0 0 375.372 2.323 10 0 GEAERN Cc1c(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)sc2nc(C)nc(C)c12 ZINC000024685277 211795246 /nfs/dbraw/zinc/79/52/46/211795246.db2.gz GSAMXESXXYZASF-ZDUSSCGKSA-N 0 0 396.538 2.160 10 0 GEAERN Cc1[nH]c(C(=O)NCc2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCCC1 ZINC000096319993 211333547 /nfs/dbraw/zinc/33/35/47/211333547.db2.gz BGSOMLWBOMHYSB-UHFFFAOYSA-N 0 0 379.457 2.485 10 0 GEAERN O=C(NCCn1c(=O)n(Cc2ccc(F)cc2)c2cccnc21)c1ccncc1 ZINC000096386049 211337934 /nfs/dbraw/zinc/33/79/34/211337934.db2.gz NMXMVGKMLLXSSW-UHFFFAOYSA-N 0 0 391.406 2.210 10 0 GEAERN COc1ccccc1OC1CN(C(=O)CN2C(=O)OC[C@@H]2c2ccccc2)C1 ZINC000095528285 211273326 /nfs/dbraw/zinc/27/33/26/211273326.db2.gz NPYILKPRURMIHN-QGZVFWFLSA-N 0 0 382.416 2.478 10 0 GEAERN Cc1cc(CC(=O)N2CCC[C@]3(CCC(=O)N(CCc4ccccn4)C3)C2)on1 ZINC000091645384 211201602 /nfs/dbraw/zinc/20/16/02/211201602.db2.gz LXBQEIHHVVMMOE-QFIPXVFZSA-N 0 0 396.491 2.394 10 0 GEAERN Cc1cc(C)nc(CCNC(=O)[C@H]2CCC(=O)N(CCc3ccccc3)C2)n1 ZINC000015073192 211127744 /nfs/dbraw/zinc/12/77/44/211127744.db2.gz AQPVJGVPSWGQIR-IBGZPJMESA-N 0 0 380.492 2.233 10 0 GEAERN O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F)NCc1ccoc1 ZINC000072144266 211076445 /nfs/dbraw/zinc/07/64/45/211076445.db2.gz SUWBMSRPUVBTLU-INIZCTEOSA-N 0 0 395.381 2.305 10 0 GEAERN C/C(=C\c1ccco1)CN1CCN(c2nccc(N3CCC(O)CC3)n2)CC1 ZINC000067542086 211011333 /nfs/dbraw/zinc/01/13/33/211011333.db2.gz KVULAWOOJYCLNO-BMRADRMJSA-N 0 0 383.496 2.256 10 0 GEAERN O=c1c2cc3c(cc2nnn1CCc1cccc(F)c1)C(=O)N(C1CC1)CO3 ZINC000064447868 210938492 /nfs/dbraw/zinc/93/84/92/210938492.db2.gz JHCFQXNWYDLBOG-UHFFFAOYSA-N 0 0 380.379 2.128 10 0 GEAERN COc1cc(CNC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)cc(OC)c1 ZINC000045176145 210820945 /nfs/dbraw/zinc/82/09/45/210820945.db2.gz PZEYLPGULCFLLQ-GOSISDBHSA-N 0 0 382.460 2.411 10 0 GEAERN Cc1noc([C@@]2(O)CCN(S(=O)(=O)c3cc(Cl)sc3Cl)C2)n1 ZINC000275322264 532872799 /nfs/dbraw/zinc/87/27/99/532872799.db2.gz PECBQRGMYSCKSY-LLVKDONJSA-N 0 0 384.266 2.029 10 0 GEAERN Cc1nc(CCNC(=O)[C@H]2CCCN2C(=O)Cc2ccc(F)cc2)cs1 ZINC000033282223 210637898 /nfs/dbraw/zinc/63/78/98/210637898.db2.gz RYHIFHRVJUSSEC-QGZVFWFLSA-N 0 0 375.469 2.483 10 0 GEAERN CCc1nnc(NC(=O)CSC2=c3cc(C)sc3=N[C@@H](C)N2CC)s1 ZINC000038805707 210567460 /nfs/dbraw/zinc/56/74/60/210567460.db2.gz LMVRGEDBNNNEQM-SNVBAGLBSA-N 0 0 395.579 2.209 10 0 GEAERN COC(=O)c1ccc(NCc2nnc3n2c2ccccc2c(=O)n3C)c(C)c1 ZINC000024354693 210463130 /nfs/dbraw/zinc/46/31/30/210463130.db2.gz ZFLNHYIZYRPJQS-UHFFFAOYSA-N 0 0 377.404 2.288 10 0 GEAERN O=C(C[C@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1)NCC1CCCCC1 ZINC000020999714 210375612 /nfs/dbraw/zinc/37/56/12/210375612.db2.gz QIVBZWHHRDQXMQ-SFHVURJKSA-N 0 0 379.451 2.352 10 0 GEAERN O=C(NC1CC1)c1cn(CC[C@H]2CCCCN2C(=O)c2ccc(F)cc2)nn1 ZINC000020235732 210323977 /nfs/dbraw/zinc/32/39/77/210323977.db2.gz KHCRXGGLGDBLHU-QGZVFWFLSA-N 0 0 385.443 2.394 10 0 GEAERN Cc1ccc(C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2)cc1N1CCNC1=O ZINC000019742095 210290698 /nfs/dbraw/zinc/29/06/98/210290698.db2.gz OUNZWPPWUZVYMN-LJQANCHMSA-N 0 0 393.491 2.314 10 0 GEAERN O=C(C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1)NCc1cc2ccccc2[nH]1 ZINC000019595247 210275782 /nfs/dbraw/zinc/27/57/82/210275782.db2.gz PLFFYPIDKCQXTP-FQEVSTJZSA-N 0 0 394.450 2.314 10 0 GEAERN CCCn1ncc(N2CCC(C(=O)NCc3ccc(OC)cc3)CC2)cc1=O ZINC000065311399 136163144 /nfs/dbraw/zinc/16/31/44/136163144.db2.gz KUSUTQCHTSOGNH-UHFFFAOYSA-N 0 0 384.480 2.195 10 0 GEAERN COc1nccnc1N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1 ZINC000095368307 136178239 /nfs/dbraw/zinc/17/82/39/136178239.db2.gz YKCRWOPZBSGQFC-UHFFFAOYSA-N 0 0 381.480 2.332 10 0 GEAERN COCC(=O)N1CCc2[nH]cnc2C12CCN(c1cc(C(C)C)nc(C)n1)CC2 ZINC000095524788 136181525 /nfs/dbraw/zinc/18/15/25/136181525.db2.gz NZLQJYBBUGMDOQ-UHFFFAOYSA-N 0 0 398.511 2.158 10 0 GEAERN Cc1nc2c(c(C)n1)C[C@H](Cn1ncc(N3CCc4ccccc4C3)cc1=O)O2 ZINC000020869073 136202742 /nfs/dbraw/zinc/20/27/42/136202742.db2.gz YZQGCQCQURKEHC-LJQANCHMSA-N 0 0 389.459 2.217 10 0 GEAERN COc1ccc(NC(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)c(C)c1 ZINC000224147469 136206214 /nfs/dbraw/zinc/20/62/14/136206214.db2.gz GZKAWQQOAHJVQM-UHFFFAOYSA-N 0 0 386.456 2.340 10 0 GEAERN CN(C)c1nc(N2CCOCC2)ncc1NC(=O)c1c(F)cccc1Cl ZINC000224359116 136206866 /nfs/dbraw/zinc/20/68/66/136206866.db2.gz KCDWQXSBTGNJLS-UHFFFAOYSA-N 0 0 379.823 2.424 10 0 GEAERN CCc1cnc(N2CCC([C@@]3(Cc4ccccc4)NC(=O)NC3=O)CC2)nc1 ZINC000067589000 222148723 /nfs/dbraw/zinc/14/87/23/222148723.db2.gz SUNLJMDQPYYIGJ-OAQYLSRUSA-N 0 0 379.464 2.076 10 0 GEAERN COc1ccc(CN2C[C@H]3CN(C(=O)COc4ccccc4)CCN3C2=O)cc1 ZINC000096269077 560054308 /nfs/dbraw/zinc/05/43/08/560054308.db2.gz KKSSNBIXQICIIE-GOSISDBHSA-N 0 0 395.459 2.223 10 0 GEAERN O=C1NC(=O)[C@H](Cc2ccc(OCCN3COc4ccccc4C3=O)cc2)S1 ZINC000001487608 560180709 /nfs/dbraw/zinc/18/07/09/560180709.db2.gz RFMNEXVCPAPDRA-KRWDZBQOSA-N 0 0 398.440 2.452 10 0 in-vitro GEAERN COC(=O)c1nn(C(C)(C)C)c(N)c1[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000725254378 570272529 /nfs/dbraw/zinc/27/25/29/570272529.db2.gz LKMFUINXCVRGFG-NSHDSACASA-N 0 0 382.461 2.315 10 0 GEAERN CCc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)C2=C1C(=O)NC(=S)NC1=O ZINC000006359111 570477803 /nfs/dbraw/zinc/47/78/03/570477803.db2.gz OBBWXRWHWHHIKQ-UHFFFAOYSA-N 0 0 381.457 2.076 10 0 GEAERN Cc1nn(C)c(N2CCOCC2)c1CN(Cc1ccccn1)C[C@@H]1CCCO1 ZINC000055109144 570683302 /nfs/dbraw/zinc/68/33/02/570683302.db2.gz DSKKVEPTJCQJCE-IBGZPJMESA-N 0 0 385.512 2.141 10 0 GEAERN COCCN1C(=O)C[C@@H](CNc2cnc3ccccc3n2)[C@@H]1c1cnn(C)c1 ZINC000275390404 570692308 /nfs/dbraw/zinc/69/23/08/570692308.db2.gz ZKGYYVCYQXZDMB-VBKZILBWSA-N 0 0 380.452 2.011 10 0 GEAERN C[C@H](CNC(=O)[C@H]1CCCN(S(=O)(=O)N2CCCCC2)C1)c1ccccc1 ZINC000006894374 570693859 /nfs/dbraw/zinc/69/38/59/570693859.db2.gz CZGDNPZAUCEFNI-MJGOQNOKSA-N 0 0 393.553 2.349 10 0 GEAERN Cc1ccccc1CNC(=O)c1cn(C)nc1S(=O)(=O)N1CCC(C)CC1 ZINC000065152323 570716839 /nfs/dbraw/zinc/71/68/39/570716839.db2.gz KQZAWFYQQLFORG-UHFFFAOYSA-N 0 0 390.509 2.079 10 0 GEAERN Cn1cc(C(=O)Nc2ccc3c(c2)CCC3)c(S(=O)(=O)N2CCCCC2)n1 ZINC000065152431 570840113 /nfs/dbraw/zinc/84/01/13/570840113.db2.gz LYEWZUMLLCZSAC-UHFFFAOYSA-N 0 0 388.493 2.336 10 0 GEAERN O=C(NCCc1csc(C2CCN(C(=O)[C@H]3CCCO3)CC2)n1)C1CCC1 ZINC000065173419 570843102 /nfs/dbraw/zinc/84/31/02/570843102.db2.gz VITQAYXWKHURAF-QGZVFWFLSA-N 0 0 391.537 2.487 10 0 GEAERN C[C@@H]1CN(Cn2c3cc(S(=O)(=O)N(C)C)ccc3oc2=S)C[C@@H](C)O1 ZINC000021318463 642399545 /nfs/dbraw/zinc/39/95/45/642399545.db2.gz SGRYSFBNIYSXCZ-VXGBXAGGSA-N 0 0 385.511 2.281 10 0 GEAERN C[C@@H](NC(=O)[C@H]1CCCCN1S(C)(=O)=O)c1ccccc1Br ZINC000025742602 642427365 /nfs/dbraw/zinc/42/73/65/642427365.db2.gz QOKIRIISHBGFHU-BXUZGUMPSA-N 0 0 389.315 2.440 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1coc(-c2cccs2)n1 ZINC000028504909 642451001 /nfs/dbraw/zinc/45/10/01/642451001.db2.gz WROMNAXKBQKAKH-CYBMUJFWSA-N 0 0 383.495 2.224 10 0 GEAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000029207782 642460423 /nfs/dbraw/zinc/46/04/23/642460423.db2.gz MQJRGPKJHJLFFW-PWSUYJOCSA-N 0 0 395.308 2.301 10 0 GEAERN Cc1ccc(O[C@H](C)C(=O)NC[C@@H](C)N2CCOCC2)c(Br)c1 ZINC000044498114 642580159 /nfs/dbraw/zinc/58/01/59/642580159.db2.gz JEHZCJWTXLPWJG-ZIAGYGMSSA-N 0 0 385.302 2.362 10 0 GEAERN C[C@H](CNS(=O)(=O)/C=C/c1ccc(Br)cc1)N1CCOCC1 ZINC000066910132 642947861 /nfs/dbraw/zinc/94/78/61/642947861.db2.gz KSMZXQMRPUMDCL-ASJRZHAZSA-N 0 0 389.315 2.060 10 0 GEAERN Cc1ccc(=O)n(CC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1 ZINC000067773451 642976393 /nfs/dbraw/zinc/97/63/93/642976393.db2.gz PBRCMYGFECJFBI-OAHLLOKOSA-N 0 0 382.247 2.459 10 0 GEAERN C[C@H](CNC(=O)N[C@@H]1CCc2c1cccc2Br)N1CCOCC1 ZINC000069767827 643040295 /nfs/dbraw/zinc/04/02/95/643040295.db2.gz AQRVGNXJSNHZTB-MLGOLLRUSA-N 0 0 382.302 2.456 10 0 GEAERN Cc1nn(-c2ccc(Br)cc2)c(C)c1[C@H]1NC(=O)[C@@H]2COCCN21 ZINC000093884285 643081543 /nfs/dbraw/zinc/08/15/43/643081543.db2.gz QTXHJEKMNMXCQC-HOCLYGCPSA-N 0 0 391.269 2.081 10 0 GEAERN COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000097021641 643093939 /nfs/dbraw/zinc/09/39/39/643093939.db2.gz XGAYGUSYHOPPOT-ZDUSSCGKSA-N 0 0 388.852 2.172 10 0 GEAERN C[C@@H](NC(N)=O)C(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000101521929 643105673 /nfs/dbraw/zinc/10/56/73/643105673.db2.gz LAOOZBXCPCIYSB-MRVPVSSYSA-N 0 0 383.271 2.492 10 0 GEAERN Fc1ccc(CN2CCN(c3ccc4nncn4n3)CC2)c(Br)c1 ZINC000106093385 643220899 /nfs/dbraw/zinc/22/08/99/643220899.db2.gz XVYLCWFCIBROPX-UHFFFAOYSA-N 0 0 391.248 2.348 10 0 GEAERN Cc1cnn(C[C@H]2CN(CC(=O)N(C)Cc3ccc(Cl)s3)CCO2)c1 ZINC000106197254 643225564 /nfs/dbraw/zinc/22/55/64/643225564.db2.gz RGYBNRUEPBZDSJ-CQSZACIVSA-N 0 0 382.917 2.266 10 0 GEAERN CC[C@@H](O)CN1CCN(C(=O)CCc2ccc(OC)c(Br)c2)CC1 ZINC000106397396 643229948 /nfs/dbraw/zinc/22/99/48/643229948.db2.gz LXWHHESAHPGBGL-OAHLLOKOSA-N 0 0 399.329 2.305 10 0 GEAERN CC(C)n1nnnc1CSc1nnc(-c2ccccc2Br)n1N ZINC000107076060 643249277 /nfs/dbraw/zinc/24/92/77/643249277.db2.gz JJTGFWADFJYOMZ-UHFFFAOYSA-N 0 0 395.290 2.281 10 0 GEAERN Cn1cc(CN2CCCN(C(=O)Cc3ccccc3Br)CC2)cn1 ZINC000109657439 643298969 /nfs/dbraw/zinc/29/89/69/643298969.db2.gz PUYIXIRYYRJYGN-UHFFFAOYSA-N 0 0 391.313 2.460 10 0 GEAERN CCc1noc([C@H](C)N2CCN(Cn3nc(CSC)oc3=S)CC2)n1 ZINC000112071079 643352928 /nfs/dbraw/zinc/35/29/28/643352928.db2.gz ZLTMNLPTHVFZSW-NSHDSACASA-N 0 0 384.531 2.350 10 0 GEAERN CCc1noc([C@@H](C)N2CCN(C(=O)c3cc(Br)c[nH]3)CC2)n1 ZINC000112057424 643353076 /nfs/dbraw/zinc/35/30/76/643353076.db2.gz HFXQDAPGOKFDDL-SNVBAGLBSA-N 0 0 382.262 2.242 10 0 GEAERN CCOc1ccnc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)n1 ZINC000113293315 643391236 /nfs/dbraw/zinc/39/12/36/643391236.db2.gz NJBJSWPTGDLANQ-UHFFFAOYSA-N 0 0 382.873 2.040 10 0 GEAERN COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](c3cnn(C)c3)C2)c(Cl)c1 ZINC000116370630 643461122 /nfs/dbraw/zinc/46/11/22/643461122.db2.gz CZRDACACVMOEBW-GFCCVEGCSA-N 0 0 383.857 2.038 10 0 GEAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)NCc2cscn2)CC1 ZINC000117041216 643480825 /nfs/dbraw/zinc/48/08/25/643480825.db2.gz LZJICNAYBIKIPH-UHFFFAOYSA-N 0 0 382.921 2.120 10 0 GEAERN COCCN1CCN(S(=O)(=O)Cc2ccccc2C(F)(F)F)C[C@@H]1C ZINC000117369350 643489471 /nfs/dbraw/zinc/48/94/71/643489471.db2.gz CVRGARYIOXVWBV-ZDUSSCGKSA-N 0 0 380.432 2.188 10 0 GEAERN CC[C@H]1CN(S(=O)(=O)c2cccc(Br)c2)CCN1CCOC ZINC000117371974 643489962 /nfs/dbraw/zinc/48/99/62/643489962.db2.gz VKBVINVDBYSGMA-AWEZNQCLSA-N 0 0 391.331 2.180 10 0 GEAERN CC[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCN1CCOC ZINC000117371959 643490173 /nfs/dbraw/zinc/49/01/73/643490173.db2.gz DSFSXFVEQDBHRS-AWEZNQCLSA-N 0 0 380.432 2.437 10 0 GEAERN CC[C@H]1CN(S(=O)(=O)c2ccccc2OC(F)F)CCN1CCOC ZINC000117371751 643490211 /nfs/dbraw/zinc/49/02/11/643490211.db2.gz VKFFVBQXWQGMHP-ZDUSSCGKSA-N 0 0 378.441 2.019 10 0 GEAERN Cc1cnn(CCNC(=O)CCNC(=O)c2cc(F)ccc2Br)c1 ZINC000117809045 643499119 /nfs/dbraw/zinc/49/91/19/643499119.db2.gz MMZOZDWCJYYSOJ-UHFFFAOYSA-N 0 0 397.248 2.029 10 0 GEAERN COCc1c(Br)cccc1NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000120035789 643587594 /nfs/dbraw/zinc/58/75/94/643587594.db2.gz ABTNIEOFKJPAIC-JTQLQIEISA-N 0 0 380.246 2.324 10 0 GEAERN CN(Cc1ccc(Br)o1)C(=O)[C@H](Cc1ccccc1)NC(N)=O ZINC000121789533 643640579 /nfs/dbraw/zinc/64/05/79/643640579.db2.gz XVMJBQYXNGTGAZ-ZDUSSCGKSA-N 0 0 380.242 2.280 10 0 GEAERN CC(C)c1csc(NC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)n1 ZINC000125054526 643699189 /nfs/dbraw/zinc/69/91/89/643699189.db2.gz KCXQTXBOMFRYQL-SNVBAGLBSA-N 0 0 378.479 2.332 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1cc(C)ccc1Br)CC2 ZINC000127495713 643778104 /nfs/dbraw/zinc/77/81/04/643778104.db2.gz WPIKKKGPDQQLML-NSHDSACASA-N 0 0 399.314 2.205 10 0 GEAERN CCCNc1nnc(S(=O)(=O)[C@H](C)C(=O)N[C@H](C)c2ccccc2)s1 ZINC000127762645 643783155 /nfs/dbraw/zinc/78/31/55/643783155.db2.gz JHUKRNMBVRCMNP-VXGBXAGGSA-N 0 0 382.511 2.400 10 0 GEAERN C[C@@H](OC(=O)Cn1ncn2nccc2c1=O)c1ccc(Br)cc1F ZINC000131080971 643862893 /nfs/dbraw/zinc/86/28/93/643862893.db2.gz RQCDRCBULGJVEZ-SECBINFHSA-N 0 0 395.188 2.097 10 0 GEAERN CCOC(=O)[C@H](N[C@@H]1CCc2ncnn2C1)c1ccc(Br)cc1F ZINC000132970271 643890473 /nfs/dbraw/zinc/89/04/73/643890473.db2.gz QWFQEJDIYJEOEW-IAQYHMDHSA-N 0 0 397.248 2.389 10 0 GEAERN S=c1n(Cc2cccs2)nnn1CN1CCO[C@@H](c2nccs2)C1 ZINC000152226839 643965631 /nfs/dbraw/zinc/96/56/31/643965631.db2.gz JEMODWCPBDCKJT-GFCCVEGCSA-N 0 0 380.524 2.406 10 0 GEAERN CC(C)(C)NS(=O)(=O)c1cc(C(=O)N[C@H]2CCCC[C@H]2O)ccc1Cl ZINC000152233535 643965698 /nfs/dbraw/zinc/96/56/98/643965698.db2.gz IAYHGPPPTUFHLR-UONOGXRCSA-N 0 0 388.917 2.450 10 0 GEAERN CCOc1ccnc(N2CCN(Cn3nc(C)c(Br)c3C)CC2)n1 ZINC000152680432 643972509 /nfs/dbraw/zinc/97/25/09/643972509.db2.gz ZWWVMEDRPRLTBK-UHFFFAOYSA-N 0 0 395.305 2.231 10 0 GEAERN C[C@@H]1COC[C@H](C)N1C(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000155113707 644065350 /nfs/dbraw/zinc/06/53/50/644065350.db2.gz PSFVPSGJEQEKQE-PHIMTYICSA-N 0 0 395.308 2.298 10 0 GEAERN Cc1csc([C@@H]2CCCN(C(=O)c3cc(C)ccc3S(N)(=O)=O)C2)n1 ZINC000156517825 644100595 /nfs/dbraw/zinc/10/05/95/644100595.db2.gz WXFDNXVAHZKAGC-CYBMUJFWSA-N 0 0 379.507 2.427 10 0 GEAERN CCN1CCC[C@H](NS(=O)(=O)c2c3ccccc3sc2C(=O)OC)C1 ZINC000156690828 644112459 /nfs/dbraw/zinc/11/24/59/644112459.db2.gz ZDUBSMKCQGRXPF-LBPRGKRZSA-N 0 0 382.507 2.451 10 0 GEAERN COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000158839131 644162368 /nfs/dbraw/zinc/16/23/68/644162368.db2.gz NCTSEWITPFBTGH-LLVKDONJSA-N 0 0 383.857 2.038 10 0 GEAERN CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)c1cccc3c1N=S=N3)CC2 ZINC000159342277 644188225 /nfs/dbraw/zinc/18/82/25/644188225.db2.gz WKGWCWAHRADLGN-SNVBAGLBSA-N 0 0 378.483 2.421 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)Cc2c(F)cccc2F)C[C@H]1CC ZINC000162966270 644243714 /nfs/dbraw/zinc/24/37/14/644243714.db2.gz LIVLFPDDGLMROL-CQSZACIVSA-N 0 0 376.469 2.227 10 0 GEAERN CCCC(=O)N[C@H]1CCCN(C(=O)c2cc(Br)c(C)[nH]c2=O)C1 ZINC000164210721 644260240 /nfs/dbraw/zinc/26/02/40/644260240.db2.gz VDYFQHHUOYBEGQ-NSHDSACASA-N 0 0 384.274 2.379 10 0 GEAERN C[C@@H](Cc1ccccc1Br)NC(=O)NC[C@H](C)N1CCOCC1 ZINC000164358681 644263798 /nfs/dbraw/zinc/26/37/98/644263798.db2.gz IKDHTVHZPGSGDF-KBPBESRZSA-N 0 0 384.318 2.400 10 0 GEAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000166894206 644278431 /nfs/dbraw/zinc/27/84/31/644278431.db2.gz BMFOIAKISFUCQC-NSHDSACASA-N 0 0 377.750 2.034 10 0 GEAERN COC(=O)[C@@H]1CCCN(CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000171064547 644305238 /nfs/dbraw/zinc/30/52/38/644305238.db2.gz OFJZYMRNNZNRSM-CQSZACIVSA-N 0 0 383.286 2.293 10 0 GEAERN C[C@H]1CN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)CCS1 ZINC000171567160 644327900 /nfs/dbraw/zinc/32/79/00/644327900.db2.gz BLZGMVPMJBKUCH-VIFPVBQESA-N 0 0 378.313 2.430 10 0 GEAERN CC(C)c1nnc(CSc2nn3c(nnc(C(C)(C)C)c3=O)s2)n1C ZINC000171648342 644332039 /nfs/dbraw/zinc/33/20/39/644332039.db2.gz BHHFYWLTVXQDOW-UHFFFAOYSA-N 0 0 379.515 2.388 10 0 GEAERN O=C(NCCSC(F)(F)F)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000172124687 644336736 /nfs/dbraw/zinc/33/67/36/644336736.db2.gz RNWUNLKZIJQWBS-CQSZACIVSA-N 0 0 377.432 2.300 10 0 GEAERN CN(C)c1nn(CN2CCN(C[C@H](O)c3ccccc3)CC2)c(=S)s1 ZINC000173361419 644356207 /nfs/dbraw/zinc/35/62/07/644356207.db2.gz NCLZIKOPSBICJT-HNNXBMFYSA-N 0 0 379.555 2.049 10 0 GEAERN CCOC(=O)C[C@@H](NS(=O)(=O)c1ncn(C)c1Cl)c1ccccc1C ZINC000175364127 644389388 /nfs/dbraw/zinc/38/93/88/644389388.db2.gz WKLXTQXCXIAQTK-CYBMUJFWSA-N 0 0 385.873 2.355 10 0 GEAERN O=C(Nc1c(F)cc(Br)cc1F)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000177551082 644417106 /nfs/dbraw/zinc/41/71/06/644417106.db2.gz RICZELUIFYKSGZ-UFBFGSQYSA-N 0 0 391.212 2.333 10 0 GEAERN Cn1cc(NC(=O)C(=O)N2CCC[C@H]2c2ccco2)cc(Br)c1=O ZINC000179717684 644470918 /nfs/dbraw/zinc/47/09/18/644470918.db2.gz YVRAIIAIFWDDPT-LBPRGKRZSA-N 0 0 394.225 2.043 10 0 GEAERN CCN1CCC[C@H](NS(=O)(=O)c2ccc(Br)c(C(C)=O)c2)C1 ZINC000180203614 644494159 /nfs/dbraw/zinc/49/41/59/644494159.db2.gz OAAXJEMJZHWJFZ-LBPRGKRZSA-N 0 0 389.315 2.414 10 0 GEAERN CCCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)N[C@H]1C[C@@H]1C ZINC000180196496 644494274 /nfs/dbraw/zinc/49/42/74/644494274.db2.gz MWDDKMDZWVNKHS-ZANVPECISA-N 0 0 383.242 2.479 10 0 GEAERN O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CCO[C@@H](c2nccs2)C1 ZINC000181992751 644954715 /nfs/dbraw/zinc/95/47/15/644954715.db2.gz FNOZVUITPZKFTB-SNVBAGLBSA-N 0 0 379.385 2.319 10 0 GEAERN C#CCCOC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000183527288 644996935 /nfs/dbraw/zinc/99/69/35/644996935.db2.gz XXNLKNHMUHCNBN-INIZCTEOSA-N 0 0 375.471 2.430 10 0 GEAERN C#C[C@H](C)OC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000183632531 645000846 /nfs/dbraw/zinc/00/08/46/645000846.db2.gz XYTPENUTWKOZKN-XJKSGUPXSA-N 0 0 375.471 2.429 10 0 GEAERN C[C@@H](C(=O)N(C)c1cccc(Br)n1)N1C(=O)c2ccccc2C1=O ZINC000184427934 645017873 /nfs/dbraw/zinc/01/78/73/645017873.db2.gz MXQWOECHFXYQHF-JTQLQIEISA-N 0 0 388.221 2.492 10 0 GEAERN COC(=O)[C@H]1C[C@@H]1C(=O)OCc1nc(Cc2ccccc2Br)n[nH]1 ZINC000185383908 645043502 /nfs/dbraw/zinc/04/35/02/645043502.db2.gz SKQRRMYSZLBVBE-QWRGUYRKSA-N 0 0 394.225 2.010 10 0 GEAERN Cc1ccc(Br)cc1S(=O)(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000186173718 645061984 /nfs/dbraw/zinc/06/19/84/645061984.db2.gz HAIVEQBTSDEABM-UHFFFAOYSA-N 0 0 387.299 2.047 10 0 GEAERN O=C(NC1CN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1)C1CCC1 ZINC000186188038 645063402 /nfs/dbraw/zinc/06/34/02/645063402.db2.gz VVUBZAWSFHEYQU-UHFFFAOYSA-N 0 0 380.363 2.134 10 0 GEAERN C[N@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000186653054 645071495 /nfs/dbraw/zinc/07/14/95/645071495.db2.gz SKJRCVPPGBDXSK-HNNXBMFYSA-N 0 0 383.286 2.389 10 0 GEAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3cc(C)c(Cl)s3)CCO2)c1 ZINC000187913811 645100003 /nfs/dbraw/zinc/10/00/03/645100003.db2.gz WTPAGRMMIWVCEJ-GFCCVEGCSA-N 0 0 375.903 2.305 10 0 GEAERN O=C(NC1CN(S(=O)(=O)c2cc(Br)ccc2Cl)C1)C1CC1 ZINC000187928825 645100996 /nfs/dbraw/zinc/10/09/96/645100996.db2.gz KIPOOSQENSQEBN-UHFFFAOYSA-N 0 0 393.690 2.002 10 0 GEAERN C[C@@H](NC(=O)c1nc(Br)cs1)c1ccc(S(N)(=O)=O)cc1 ZINC000188741274 645123587 /nfs/dbraw/zinc/12/35/87/645123587.db2.gz LARPCLYQOIDUAI-SSDOTTSWSA-N 0 0 390.284 2.044 10 0 GEAERN CCn1cc([C@@H]2CN(Cn3ncn(CC(F)(F)F)c3=S)CCO2)cn1 ZINC000189853459 645144601 /nfs/dbraw/zinc/14/46/01/645144601.db2.gz NATCDWKLDFWQGC-LBPRGKRZSA-N 0 0 376.408 2.224 10 0 GEAERN COC(=O)[C@@H]1CCCCN1C(=O)c1cc(I)ccc1O ZINC000192683215 645220783 /nfs/dbraw/zinc/22/07/83/645220783.db2.gz COPRRJZHCVEFRN-NSHDSACASA-N 0 0 389.189 2.165 10 0 GEAERN Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2c2cnn(C)c2)ncc1Br ZINC000193192354 645249903 /nfs/dbraw/zinc/24/99/03/645249903.db2.gz AEJLTEWASNGHIF-CYBMUJFWSA-N 0 0 392.257 2.188 10 0 GEAERN CCOc1ccnc(N2CCN(C(=O)c3ccoc3Br)CC2)n1 ZINC000193556206 645283405 /nfs/dbraw/zinc/28/34/05/645283405.db2.gz UKBMCZMYMVESFO-UHFFFAOYSA-N 0 0 381.230 2.193 10 0 GEAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cc(Cl)c(C)cc1Br ZINC000193821248 645302399 /nfs/dbraw/zinc/30/23/99/645302399.db2.gz JJHWJHCYUIULQZ-NOZJJQNGSA-N 0 0 375.650 2.331 10 0 GEAERN CCOCCN1CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)C[C@H]1C ZINC000194326264 645322263 /nfs/dbraw/zinc/32/22/63/645322263.db2.gz BOSDPEJRNFFUIU-DYVFJYSZSA-N 0 0 397.313 2.322 10 0 GEAERN C[C@H](NC(=O)c1ccc(Br)c(S(C)(=O)=O)c1)[C@@H]1CCCO1 ZINC000194628266 645338430 /nfs/dbraw/zinc/33/84/30/645338430.db2.gz SROYABCNGWNFHA-CABZTGNLSA-N 0 0 376.272 2.150 10 0 GEAERN CN1CCO[C@@H](CNC(=O)c2c3c(sc2-n2cccc2)CSCC3)C1 ZINC000194725139 645345203 /nfs/dbraw/zinc/34/52/03/645345203.db2.gz PCTXDGCKWNRQIM-ZDUSSCGKSA-N 0 0 377.535 2.389 10 0 GEAERN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1COc2ccccc21 ZINC000195016280 645354769 /nfs/dbraw/zinc/35/47/69/645354769.db2.gz NGRPRSJJCSBGGN-NHYWBVRUSA-N 0 0 380.853 2.257 10 0 GEAERN Cc1csc([C@@H]2CN([C@@H](C)C(=O)Nc3sccc3C(N)=O)CCO2)n1 ZINC000195389441 645375700 /nfs/dbraw/zinc/37/57/00/645375700.db2.gz BOCVLCFOVWFMQM-JQWIXIFHSA-N 0 0 380.495 2.012 10 0 GEAERN O=C(NCc1nc2ccccc2[nH]1)c1nn2c(c1Br)OCCC2 ZINC000223795065 645387780 /nfs/dbraw/zinc/38/77/80/645387780.db2.gz NSBWFBDALOSVET-UHFFFAOYSA-N 0 0 376.214 2.234 10 0 GEAERN O=C(N[C@H]1CCCC[C@H]1CO)c1ccc(I)c(O)c1 ZINC000230903253 645402521 /nfs/dbraw/zinc/40/25/21/645402521.db2.gz JSUFYFGVEHJFGM-JQWIXIFHSA-N 0 0 375.206 2.278 10 0 GEAERN O=C(c1cc(Br)sc1Br)N1CCOC[C@@H]1CO ZINC000236497948 645411348 /nfs/dbraw/zinc/41/13/48/645411348.db2.gz CWKHWSLLTOHGQY-LURJTMIESA-N 0 0 385.077 2.106 10 0 GEAERN COc1ccc(Br)c(S(=O)(=O)N2CCN3CCCC[C@H]3C2)c1 ZINC000245422293 645453681 /nfs/dbraw/zinc/45/36/81/645453681.db2.gz PFRHTRHWEBXEID-LBPRGKRZSA-N 0 0 389.315 2.317 10 0 GEAERN C[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)C[C@H]1C ZINC000246607148 645487358 /nfs/dbraw/zinc/48/73/58/645487358.db2.gz BXCOILIZOBDVCX-OSRSDYAFSA-N 0 0 381.314 2.466 10 0 GEAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)CCN1C[C@H](C)O ZINC000247053946 645502440 /nfs/dbraw/zinc/50/24/40/645502440.db2.gz NSNXTSXTSNEZBX-WCQYABFASA-N 0 0 388.295 2.236 10 0 GEAERN CC[C@@H]1CN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)CCN1CCOC ZINC000248779023 645538820 /nfs/dbraw/zinc/53/88/20/645538820.db2.gz UUEHVUXDKOZSLH-NVXWUHKLSA-N 0 0 397.313 2.322 10 0 GEAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)/C=C\c2ccc(Br)cc2)C1 ZINC000255223580 645578369 /nfs/dbraw/zinc/57/83/69/645578369.db2.gz OVGCXWVKRFJCNB-WWRUEGTHSA-N 0 0 387.299 2.350 10 0 GEAERN CNC(=O)[C@H](NS(=O)(=O)/C=C\c1cccc(Br)c1)C(C)C ZINC000255559265 645582811 /nfs/dbraw/zinc/58/28/11/645582811.db2.gz GKHRTNYQPZATCJ-MEJMFZKBSA-N 0 0 375.288 2.110 10 0 GEAERN C[C@@H](CNS(=O)(=O)/C=C\c1ccc(Br)cc1)N1CCOCC1 ZINC000255740733 645585053 /nfs/dbraw/zinc/58/50/53/645585053.db2.gz KSMZXQMRPUMDCL-GXJZLWQJSA-N 0 0 389.315 2.060 10 0 GEAERN C[C@@H](NC(=O)[C@H]1NCCO[C@@H]1C)c1nc(-c2ccc(Br)cc2)no1 ZINC000261894221 645609392 /nfs/dbraw/zinc/60/93/92/645609392.db2.gz GXBVCBQEZWBFNX-BREBYQMCSA-N 0 0 395.257 2.053 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CSc2nc3ccccc3s2)C1 ZINC000262681929 645641651 /nfs/dbraw/zinc/64/16/51/645641651.db2.gz AYGGKJVOXFLJJN-UHFFFAOYSA-N 0 0 379.507 2.442 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@H](C)Oc2cccc(Br)c2)C1 ZINC000262686454 645641739 /nfs/dbraw/zinc/64/17/39/645641739.db2.gz CQRLSJMDQLKSNX-XGNXJENSSA-N 0 0 399.285 2.270 10 0 GEAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)CCc2ccc(Cl)c(Cl)c2)CCO1 ZINC000262731738 645643129 /nfs/dbraw/zinc/64/31/29/645643129.db2.gz BALDFBFQIGGVDY-ZDUSSCGKSA-N 0 0 389.279 2.170 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2c(F)cc(Br)cc2F)C1 ZINC000262742854 645643868 /nfs/dbraw/zinc/64/38/68/645643868.db2.gz WTRIFAYYCNAFDG-UHFFFAOYSA-N 0 0 391.212 2.395 10 0 GEAERN C[C@@H](CN1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1)c1cccc(Br)c1 ZINC000263533110 645668013 /nfs/dbraw/zinc/66/80/13/645668013.db2.gz XQUGMBDIMJTAMU-XJKSGUPXSA-N 0 0 385.302 2.270 10 0 GEAERN O=C(N[C@H]1CCOC[C@H]1O)c1cc(Br)cc(Br)c1 ZINC000629241121 652482232 /nfs/dbraw/zinc/48/22/32/652482232.db2.gz FNJNPPXQCUGFBT-WDEREUQCSA-N 0 0 379.048 2.091 10 0 GEAERN CN1C[C@@H](CNC(=O)c2cc(Cl)ccc2I)CC1=O ZINC000598263448 652808901 /nfs/dbraw/zinc/80/89/01/652808901.db2.gz TWYHKPKOWXNGCR-MRVPVSSYSA-N 0 0 392.624 2.153 10 0 GEAERN Cc1cccc(C)c1NC(=O)CSc1nnc(Cc2ccccc2)c(=O)n1N ZINC000027546330 230915085 /nfs/dbraw/zinc/91/50/85/230915085.db2.gz OLTKKSHFGISMJX-UHFFFAOYSA-N 0 0 395.488 2.291 10 0 GEAERN C[C@@H]1CN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)C[C@@H]1N1CCOCC1 ZINC000151724187 531516268 /nfs/dbraw/zinc/51/62/68/531516268.db2.gz ZXXVDDDHQMNICI-WBMJQRKESA-N 0 0 393.336 2.476 10 0 GEAERN Cc1ccc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)c(Br)n1 ZINC000152237070 531538499 /nfs/dbraw/zinc/53/84/99/531538499.db2.gz SNXHLLIWNFUFMD-GFCCVEGCSA-N 0 0 376.258 2.341 10 0 GEAERN Cc1cnn(C[C@@H]2CN(C[C@H](O)c3ccccc3Br)CCO2)c1 ZINC000152958405 531581621 /nfs/dbraw/zinc/58/16/21/531581621.db2.gz LXMFCTKHLFZVGV-YOEHRIQHSA-N 0 0 380.286 2.388 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)Cc2c[nH]c3cccc(Br)c23)CC1 ZINC000153364923 531595544 /nfs/dbraw/zinc/59/55/44/531595544.db2.gz QTAOJGACLXMZTM-AWEZNQCLSA-N 0 0 394.313 2.388 10 0 GEAERN CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000153530612 531602687 /nfs/dbraw/zinc/60/26/87/531602687.db2.gz ZYUBGLWXVZWSDR-OLZOCXBDSA-N 0 0 380.432 2.240 10 0 GEAERN C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)[C@@H]1CCCO1 ZINC000027910155 531626602 /nfs/dbraw/zinc/62/66/02/531626602.db2.gz RLYBQKUAMAVGHC-ZOWXZIJZSA-N 0 0 381.270 2.486 10 0 GEAERN C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)[C@@H]1CCCO1 ZINC000027862433 531626942 /nfs/dbraw/zinc/62/69/42/531626942.db2.gz SYMQFEAGOJFTJL-LRDDRELGSA-N 0 0 386.901 2.422 10 0 GEAERN COc1ccc(Br)c(C(=O)N2CCOC[C@@H]2c2nc(C)no2)c1 ZINC000155402896 531682565 /nfs/dbraw/zinc/68/25/65/531682565.db2.gz ASZBBCUNODMTBM-CYBMUJFWSA-N 0 0 382.214 2.363 10 0 GEAERN Cc1noc([C@H]2COCCN2C(=O)c2ccccc2I)n1 ZINC000155399215 531683385 /nfs/dbraw/zinc/68/33/85/531683385.db2.gz ZICQYJUOZXFFLD-GFCCVEGCSA-N 0 0 399.188 2.196 10 0 GEAERN C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)[C@H]1CCCO1 ZINC000046220050 531699845 /nfs/dbraw/zinc/69/98/45/531699845.db2.gz RLYBQKUAMAVGHC-YWPYICTPSA-N 0 0 381.270 2.486 10 0 GEAERN CS(=O)(=O)c1cc(C(=O)NC[C@H]2CCCC[C@H]2O)ccc1Br ZINC000155840681 531700403 /nfs/dbraw/zinc/70/04/03/531700403.db2.gz VAHOPBGREPYJSJ-DGCLKSJQSA-N 0 0 390.299 2.134 10 0 GEAERN O=C(N[C@@H]1CCCn2ncnc21)c1cn(-c2ccc(Br)cc2)cn1 ZINC000155577496 531690075 /nfs/dbraw/zinc/69/00/75/531690075.db2.gz LNEVPPDHAZJWQX-CYBMUJFWSA-N 0 0 387.241 2.491 10 0 GEAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000155870330 531702817 /nfs/dbraw/zinc/70/28/17/531702817.db2.gz KRVKXSBSYBHXHG-SECBINFHSA-N 0 0 380.235 2.162 10 0 GEAERN C[C@H](CNC(=O)N(C)Cc1cc(Br)ccc1F)N1CCOCC1 ZINC000057612328 531820967 /nfs/dbraw/zinc/82/09/67/531820967.db2.gz WSPRMIGNLINLPF-GFCCVEGCSA-N 0 0 388.281 2.450 10 0 GEAERN C[C@@H](NC(=O)NCCN1CCCS1(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000061039874 531849325 /nfs/dbraw/zinc/84/93/25/531849325.db2.gz XNWIGEDVLKQRRX-SNVBAGLBSA-N 0 0 380.297 2.389 10 0 GEAERN C[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)c2ccccc21 ZINC000162306609 531842594 /nfs/dbraw/zinc/84/25/94/531842594.db2.gz CAWAWEKDJZMNFT-SJKOYZFVSA-N 0 0 380.491 2.251 10 0 GEAERN COC(=O)[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000171395140 531905729 /nfs/dbraw/zinc/90/57/29/531905729.db2.gz NMSLMXCESYAZRN-NILFDRSVSA-N 0 0 381.270 2.201 10 0 GEAERN CCn1cc(Br)cc1C(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000171817083 531919059 /nfs/dbraw/zinc/91/90/59/531919059.db2.gz RZHLHDVNNHUOMB-UHFFFAOYSA-N 0 0 394.317 2.352 10 0 GEAERN O=C(c1cnn2cc(Br)cnc12)N1CCC(c2cc[nH]n2)CC1 ZINC000094161418 531932116 /nfs/dbraw/zinc/93/21/16/531932116.db2.gz MCKPIYHERYFBNI-UHFFFAOYSA-N 0 0 375.230 2.235 10 0 GEAERN CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2CCCO2)s1 ZINC000093907568 531928466 /nfs/dbraw/zinc/92/84/66/531928466.db2.gz AOWILTVNCDQJAA-HIFRSBDPSA-N 0 0 388.555 2.299 10 0 GEAERN Cc1cnn(C[C@@H]2CN(C(=O)Cc3ccccc3Br)CCO2)c1 ZINC000112063173 531944695 /nfs/dbraw/zinc/94/46/95/531944695.db2.gz RMLCDHDCFWOOSA-HNNXBMFYSA-N 0 0 378.270 2.424 10 0 GEAERN Cc1cnn(C[C@H]2CN(C(=O)COc3cccc(Br)c3)CCO2)c1 ZINC000112063606 531945252 /nfs/dbraw/zinc/94/52/52/531945252.db2.gz RKCPTIIYYBEOKB-MRXNPFEDSA-N 0 0 394.269 2.260 10 0 GEAERN O=C(NCCc1ccc(Br)cc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000172338471 531947268 /nfs/dbraw/zinc/94/72/68/531947268.db2.gz YQXDSEXHPVOGQP-INIZCTEOSA-N 0 0 393.285 2.299 10 0 GEAERN O=C(N[C@H]1CCc2ncnn2C1)c1[nH]nc(-c2ccccc2)c1Br ZINC000112650181 531949817 /nfs/dbraw/zinc/94/98/17/531949817.db2.gz MDPCKKWDNGBXCS-NSHDSACASA-N 0 0 387.241 2.176 10 0 GEAERN O=C(c1cc2c(c(Br)c1)OCO2)N1CCC[C@H](Cn2cncn2)C1 ZINC000172400281 531951597 /nfs/dbraw/zinc/95/15/97/531951597.db2.gz DRGUACVVRWVZIB-NSHDSACASA-N 0 0 393.241 2.322 10 0 GEAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)CC(=O)N1CCOCC1 ZINC000119422967 531967351 /nfs/dbraw/zinc/96/73/51/531967351.db2.gz SEKBNRQOUAHGJE-LLVKDONJSA-N 0 0 375.252 2.078 10 0 GEAERN Cc1ccc(O[C@H](C)C(=O)N2CC[C@@H](N3CCOCC3)C2)c(Br)c1 ZINC000172750352 531967769 /nfs/dbraw/zinc/96/77/69/531967769.db2.gz QFYMBHNCXVTQSF-HUUCEWRRSA-N 0 0 397.313 2.458 10 0 GEAERN CCS(=O)(=O)N1CCC(C(=O)N2CCC[C@H](c3nc(C)cs3)C2)CC1 ZINC000173071428 531984379 /nfs/dbraw/zinc/98/43/79/531984379.db2.gz UDXAJOQEEQSUCQ-HNNXBMFYSA-N 0 0 385.555 2.219 10 0 GEAERN COc1ccc(Br)c(C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)c1 ZINC000173088946 531986804 /nfs/dbraw/zinc/98/68/04/531986804.db2.gz DHSYYYBOWFLEAT-ZDUSSCGKSA-N 0 0 381.230 2.098 10 0 GEAERN Cn1cc([C@@H]2CCN([C@H](C(N)=O)c3ccc(Br)cc3F)C2)cn1 ZINC000121195574 532017913 /nfs/dbraw/zinc/01/79/13/532017913.db2.gz LCMWKXZDEFHIIA-BMIGLBTASA-N 0 0 381.249 2.338 10 0 GEAERN Cc1csc([C@H]2CCCN(C(=O)c3cccc(CS(N)(=O)=O)c3)C2)n1 ZINC000173586394 532020761 /nfs/dbraw/zinc/02/07/61/532020761.db2.gz GVPHSJAEVZQYHY-HNNXBMFYSA-N 0 0 379.507 2.260 10 0 GEAERN CCc1nnc([C@H]2CN(C(=O)Cc3ccccc3Br)CCO2)[nH]1 ZINC000173574899 532020983 /nfs/dbraw/zinc/02/09/83/532020983.db2.gz RTGLCKQBYLHLQH-CYBMUJFWSA-N 0 0 379.258 2.272 10 0 GEAERN CCc1cnc(CCNC(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)s1 ZINC000173591733 532022348 /nfs/dbraw/zinc/02/23/48/532022348.db2.gz LYXDQLFHYTZHIX-AWEZNQCLSA-N 0 0 379.507 2.466 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)CSc3nc4ccccc4s3)CCO2)[nH]1 ZINC000173602501 532022657 /nfs/dbraw/zinc/02/26/57/532022657.db2.gz JVSLNWCUHPXNQQ-LBPRGKRZSA-N 0 0 375.479 2.415 10 0 GEAERN CCc1nnc([C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3Cl)CCO2)[nH]1 ZINC000173839314 532037895 /nfs/dbraw/zinc/03/78/95/532037895.db2.gz YIMWNAUUAOYHSD-LLVKDONJSA-N 0 0 391.280 2.436 10 0 GEAERN C[C@@H]1CN(C(=O)c2cc(Br)cnc2Cl)C[C@@H]1N1CCOCC1 ZINC000173819697 532035859 /nfs/dbraw/zinc/03/58/59/532035859.db2.gz MZYSHAXCYWDDQT-MFKMUULPSA-N 0 0 388.693 2.290 10 0 GEAERN C[C@@H](N[C@@H](C)C(=O)N(C)CC(=O)NC1CC1)c1ccccc1Br ZINC000173807318 532036029 /nfs/dbraw/zinc/03/60/29/532036029.db2.gz LBKXYQNLRLFOEC-NEPJUHHUSA-N 0 0 382.302 2.225 10 0 GEAERN CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H]2COc3ccccc32)c1 ZINC000121739134 532044969 /nfs/dbraw/zinc/04/49/69/532044969.db2.gz SCTKMIPYYRSLBH-AWEZNQCLSA-N 0 0 380.853 2.454 10 0 GEAERN Cc1nnc([C@H]2CN(C[C@H](O)COc3ccc(Cl)cc3Cl)CCO2)[nH]1 ZINC000174098919 532048609 /nfs/dbraw/zinc/04/86/09/532048609.db2.gz YTMBSXJWOCWYKB-SWLSCSKDSA-N 0 0 387.267 2.233 10 0 GEAERN COc1cc(Br)c(CN2CCO[C@@H](c3nnc(C)[nH]3)C2)cc1OC ZINC000174100078 532048890 /nfs/dbraw/zinc/04/88/90/532048890.db2.gz FHEGLZPAAKUABF-OAHLLOKOSA-N 0 0 397.273 2.466 10 0 GEAERN CC(C)c1ncc(Cl)c(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000122346475 532067375 /nfs/dbraw/zinc/06/73/75/532067375.db2.gz ORIJYNDTLNGDKO-SNVBAGLBSA-N 0 0 382.873 2.392 10 0 GEAERN CCc1nnc(CN(C)[C@H](C(=O)OC)c2cccc(Br)c2)n1C ZINC000122298445 532066147 /nfs/dbraw/zinc/06/61/47/532066147.db2.gz GQWVQOUDTWLFJB-HNNXBMFYSA-N 0 0 381.274 2.486 10 0 GEAERN C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000122610358 532076904 /nfs/dbraw/zinc/07/69/04/532076904.db2.gz COTQWNIFNOIJSB-DGCLKSJQSA-N 0 0 393.336 2.283 10 0 GEAERN CC[C@@H]1CN(S(=O)(=O)c2cc(C(C)=O)ccc2Cl)CCN1C[C@@H](C)O ZINC000122687521 532080125 /nfs/dbraw/zinc/08/01/25/532080125.db2.gz XPEXWLIGSQCEKC-IUODEOHRSA-N 0 0 388.917 2.008 10 0 GEAERN C[C@@H](NC(=O)C(=O)Nc1ccnc(C(=O)N(C)C)c1)c1ccc(Cl)s1 ZINC000123693213 532104852 /nfs/dbraw/zinc/10/48/52/532104852.db2.gz KZEDDVIIJANYHQ-SECBINFHSA-N 0 0 380.857 2.314 10 0 GEAERN C[C@H](NC(=O)c1ccc2ncc(I)n2c1)[C@H]1CCCO1 ZINC000175522675 532106351 /nfs/dbraw/zinc/10/63/51/532106351.db2.gz HZLFIXKXWGMOPY-GXSJLCMTSA-N 0 0 385.205 2.236 10 0 GEAERN CC(=O)N[C@@H]1CCCN(C(=O)c2c(F)cccc2I)C1 ZINC000123894091 532109421 /nfs/dbraw/zinc/10/94/21/532109421.db2.gz NZXFXKMIYSWXED-SNVBAGLBSA-N 0 0 390.196 2.171 10 0 GEAERN CN(C[C@@H](O)COCc1ccccc1)C(=O)c1cc(Br)cn1C ZINC000124417162 532121339 /nfs/dbraw/zinc/12/13/39/532121339.db2.gz YHORTKJDSJXMKM-OAHLLOKOSA-N 0 0 381.270 2.437 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc(C)c(Br)c1 ZINC000176019420 532122803 /nfs/dbraw/zinc/12/28/03/532122803.db2.gz VFHZRCUEKHIFIM-CYBMUJFWSA-N 0 0 392.257 2.247 10 0 GEAERN CN1CCO[C@@H](CNC(=O)CCc2cc(Cl)ccc2Br)C1 ZINC000176034253 532122953 /nfs/dbraw/zinc/12/29/53/532122953.db2.gz SYNCVJLKTIUQKT-ZDUSSCGKSA-N 0 0 375.694 2.482 10 0 GEAERN C[C@@H]1CN(C(=O)NCc2ccccc2Br)C[C@@H]1N1CCOCC1 ZINC000175728263 532112544 /nfs/dbraw/zinc/11/25/44/532112544.db2.gz VPGQGSCHHLDPSE-CJNGLKHVSA-N 0 0 382.302 2.311 10 0 GEAERN C[C@H]1CN(C(=O)NCc2cccc(Br)c2)C[C@H]1N1CCOCC1 ZINC000175728194 532113269 /nfs/dbraw/zinc/11/32/69/532113269.db2.gz JVVWAMTWNBWIIV-XJKSGUPXSA-N 0 0 382.302 2.311 10 0 GEAERN C[C@H](CNC(=O)N[C@@H]1CCc2ncnn2C1)Oc1ccccc1Br ZINC000175787731 532115241 /nfs/dbraw/zinc/11/52/41/532115241.db2.gz CQXIXFGXVMBEEH-VXGBXAGGSA-N 0 0 394.273 2.122 10 0 GEAERN C[C@@H]1CN(C(=O)NCCc2ccc(Br)cc2)C[C@@H]1N1CCOCC1 ZINC000175792167 532115371 /nfs/dbraw/zinc/11/53/71/532115371.db2.gz KPMYWCFJFLKMFB-PBHICJAKSA-N 0 0 396.329 2.354 10 0 GEAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2occc2Br)CC1 ZINC000176086063 532125250 /nfs/dbraw/zinc/12/52/50/532125250.db2.gz JHUCRBZVDHNEHK-UHFFFAOYSA-N 0 0 381.274 2.350 10 0 GEAERN Cc1c(I)cccc1C(=O)N[C@H]1CCCn2ncnc21 ZINC000124612348 532125357 /nfs/dbraw/zinc/12/53/57/532125357.db2.gz ZVBPQQUFTMYYOD-LBPRGKRZSA-N 0 0 382.205 2.456 10 0 GEAERN O=C(Nc1ccc(Br)cc1Cl)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176102704 532126935 /nfs/dbraw/zinc/12/69/35/532126935.db2.gz YDIMNSSPXFJKIO-NSHDSACASA-N 0 0 398.648 2.284 10 0 GEAERN CC[C@H](NC(=O)N[C@@H](C)c1cccc(Br)c1)C(=O)N1CCOCC1 ZINC000176392344 532135756 /nfs/dbraw/zinc/13/57/56/532135756.db2.gz FRTPDFVUTNUIFY-WFASDCNBSA-N 0 0 398.301 2.447 10 0 GEAERN C[C@H]1COC[C@H](C)N1C(=O)c1ccc2ncc(I)n2c1 ZINC000176850512 532152357 /nfs/dbraw/zinc/15/23/57/532152357.db2.gz UUECJPJNTCRVNF-UWVGGRQHSA-N 0 0 385.205 2.188 10 0 GEAERN CCn1ccnc1CS(=O)(=O)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000176910315 532155101 /nfs/dbraw/zinc/15/51/01/532155101.db2.gz DLZJIBMRQOGVEW-UHFFFAOYSA-N 0 0 375.372 2.475 10 0 GEAERN Cc1ccc(CN(C)C(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)s1 ZINC000125734250 532141720 /nfs/dbraw/zinc/14/17/20/532141720.db2.gz QXYKSAVRLPIDLP-LBPRGKRZSA-N 0 0 377.491 2.142 10 0 GEAERN CC(C)c1nnc(CN2C(=O)c3cc(Br)ccc3S2(=O)=O)n1C ZINC000176782531 532149849 /nfs/dbraw/zinc/14/98/49/532149849.db2.gz QXTQVQNSFXTVMY-UHFFFAOYSA-N 0 0 399.270 2.046 10 0 GEAERN C[C@H]1CN(Cc2cc3c(c(Br)c2)OCO3)C[C@@H]1N1CCOCC1 ZINC000177227058 532165607 /nfs/dbraw/zinc/16/56/07/532165607.db2.gz IXTUCCNOPOGERU-WFASDCNBSA-N 0 0 383.286 2.330 10 0 GEAERN Cc1nc(C)c(S(=O)(=O)N2CCN(c3nc4ccccc4o3)CC2)s1 ZINC000176932575 532155786 /nfs/dbraw/zinc/15/57/86/532155786.db2.gz SAKKCQUDVQDSHW-UHFFFAOYSA-N 0 0 378.479 2.412 10 0 GEAERN Cc1nsc(N2CCN(C[C@H](O)COCc3ccc(Cl)cc3)CC2)n1 ZINC000177838601 532184149 /nfs/dbraw/zinc/18/41/49/532184149.db2.gz WKEAZEGGCOIICO-INIZCTEOSA-N 0 0 382.917 2.200 10 0 GEAERN Cc1cc(N2CCC[C@H](NC(=O)c3occc3Br)C2=O)n(C)n1 ZINC000177510303 532173680 /nfs/dbraw/zinc/17/36/80/532173680.db2.gz KOGWLHKYKWVMSK-NSHDSACASA-N 0 0 381.230 2.009 10 0 GEAERN O=C(Cc1cccc(I)c1)N1CCC[C@H](n2cncn2)C1 ZINC000177528461 532174679 /nfs/dbraw/zinc/17/46/79/532174679.db2.gz DSSACTCOLAGAFT-AWEZNQCLSA-N 0 0 396.232 2.289 10 0 GEAERN CC(C)n1nnnc1C[S@](=O)CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000131370036 532196696 /nfs/dbraw/zinc/19/66/96/532196696.db2.gz WZJNEBBPCNXHPL-SGANQWHYSA-N 0 0 383.543 2.468 10 0 GEAERN Cc1[nH]c(=O)c(C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)cc1Br ZINC000131903611 532206513 /nfs/dbraw/zinc/20/65/13/532206513.db2.gz AWZUCBXEPJQODK-SNVBAGLBSA-N 0 0 394.273 2.318 10 0 GEAERN O=C(CNC(=O)c1cccc(Br)c1)N1CCC(c2cc[nH]n2)CC1 ZINC000131926655 532206879 /nfs/dbraw/zinc/20/68/79/532206879.db2.gz JYUPRUGHSGRKCG-UHFFFAOYSA-N 0 0 391.269 2.308 10 0 GEAERN CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)NCCc1nccs1 ZINC000178620964 532207119 /nfs/dbraw/zinc/20/71/19/532207119.db2.gz DFAZZYATHPARHQ-CQSZACIVSA-N 0 0 380.539 2.462 10 0 GEAERN CNC(=O)[C@H](NC(=O)c1cnn(-c2cccc(Br)c2)c1C)C(C)C ZINC000178703887 532209860 /nfs/dbraw/zinc/20/98/60/532209860.db2.gz IUPMEAOADNWALF-OAHLLOKOSA-N 0 0 393.285 2.444 10 0 GEAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000132105944 532209996 /nfs/dbraw/zinc/20/99/96/532209996.db2.gz ATOKSLIILBYUJF-ZYHUDNBSSA-N 0 0 395.308 2.301 10 0 GEAERN O=C(CCCc1cc(Cl)sc1Cl)NC[C@H](O)CN1CCOCC1 ZINC000132352857 532214146 /nfs/dbraw/zinc/21/41/46/532214146.db2.gz SBVGHWGUTZKVSE-LBPRGKRZSA-N 0 0 381.325 2.187 10 0 GEAERN CNC(=O)[C@H](NC(=O)Nc1cccc(I)c1)C(C)C ZINC000178900849 532216661 /nfs/dbraw/zinc/21/66/61/532216661.db2.gz CQVSHQDMXHVOAQ-LLVKDONJSA-N 0 0 375.210 2.183 10 0 GEAERN CC(=O)N[C@@H]1CCCN(C(=O)c2cc(I)ccc2C)C1 ZINC000132638269 532218451 /nfs/dbraw/zinc/21/84/51/532218451.db2.gz YOSBITMMACBKJX-CYBMUJFWSA-N 0 0 386.233 2.340 10 0 GEAERN CNC(=O)[C@H](NC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1)C(C)C ZINC000178424939 532202009 /nfs/dbraw/zinc/20/20/09/532202009.db2.gz DMNNCSULWRYYPB-LSDHHAIUSA-N 0 0 398.301 2.303 10 0 GEAERN O=C(NC[C@@H](O)CN1CCOCC1)c1ccc2cc(Br)ccc2c1 ZINC000132689761 532219975 /nfs/dbraw/zinc/21/99/75/532219975.db2.gz PZPAKTOMUNPKFI-QGZVFWFLSA-N 0 0 393.281 2.025 10 0 GEAERN CSc1cc(C(=O)NC[C@@H](O)CN2CCOCC2)c(Cl)cc1Cl ZINC000132666650 532220007 /nfs/dbraw/zinc/22/00/07/532220007.db2.gz LHHRATKJXZEWCH-SNVBAGLBSA-N 0 0 379.309 2.138 10 0 GEAERN NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000132802224 532222189 /nfs/dbraw/zinc/22/21/89/532222189.db2.gz ZQEWJPXJBWWFOS-CYBMUJFWSA-N 0 0 386.836 2.217 10 0 GEAERN COCCN(C(=O)N[C@H](C)c1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000179602338 532238221 /nfs/dbraw/zinc/23/82/21/532238221.db2.gz CXPSWRKBFRAYCW-DGCLKSJQSA-N 0 0 392.880 2.385 10 0 GEAERN O=C(CN1CCCS1(=O)=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180244943 532262417 /nfs/dbraw/zinc/26/24/17/532262417.db2.gz QUWPJGYEHRAFRZ-HNNXBMFYSA-N 0 0 376.400 2.308 10 0 GEAERN C[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1N1CCOCC1 ZINC000180249474 532262758 /nfs/dbraw/zinc/26/27/58/532262758.db2.gz IPTVCIFWYVWFTE-NHYWBVRUSA-N 0 0 386.279 2.111 10 0 GEAERN C[C@@H](NC(=O)N(C)Cc1ncc(Cl)n1C)c1ccc(S(C)(=O)=O)cc1 ZINC000180299446 532265711 /nfs/dbraw/zinc/26/57/11/532265711.db2.gz PNRKQACWIWOBAB-LLVKDONJSA-N 0 0 384.889 2.380 10 0 GEAERN CNC(=O)[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1Br)C(C)C ZINC000180856638 532283864 /nfs/dbraw/zinc/28/38/64/532283864.db2.gz HUKGOGTWCMADIY-GFCCVEGCSA-N 0 0 397.722 2.293 10 0 GEAERN COc1cc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)sc1Br ZINC000136546735 532285410 /nfs/dbraw/zinc/28/54/10/532285410.db2.gz BADLXMMGOTVSQY-QWRGUYRKSA-N 0 0 389.315 2.312 10 0 GEAERN O=S(=O)(c1sccc1Br)N1CCC[C@@H](Cn2cncn2)C1 ZINC000180977291 532287660 /nfs/dbraw/zinc/28/76/60/532287660.db2.gz ZOTAEJXNLCKYLR-JTQLQIEISA-N 0 0 391.316 2.203 10 0 GEAERN CCC1CCC(NS(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 ZINC000135433869 532273122 /nfs/dbraw/zinc/27/31/22/532273122.db2.gz HOFDFUFITILQSK-UHFFFAOYSA-N 0 0 378.491 2.444 10 0 GEAERN CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccc(Cl)s2)c1 ZINC000145491299 532297720 /nfs/dbraw/zinc/29/77/20/532297720.db2.gz MHOJDLGGQSYWPL-SECBINFHSA-N 0 0 394.927 2.349 10 0 GEAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000181441304 532298594 /nfs/dbraw/zinc/29/85/94/532298594.db2.gz UGJUQMZRLIRYBB-NSHDSACASA-N 0 0 392.253 2.272 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)NCCc2ccc(Br)cc2)CC1 ZINC000181781886 532306843 /nfs/dbraw/zinc/30/68/43/532306843.db2.gz CPCFHLNHSFOSEQ-INIZCTEOSA-N 0 0 384.318 2.090 10 0 GEAERN C[C@H]1CN(S(=O)(=O)c2cccc(I)c2)CCS1 ZINC000151155778 532307862 /nfs/dbraw/zinc/30/78/62/532307862.db2.gz OUWWXYLSYVXVPA-VIFPVBQESA-N 0 0 383.276 2.417 10 0 GEAERN CC[C@@]1(O)c2cc3n(c(=O)c2COC1=O)Cc1cc2cc(OC)ccc2nc1-3 ZINC000013382855 291114764 /nfs/dbraw/zinc/11/47/64/291114764.db2.gz KLFJSYOEEYWQMR-OAQYLSRUSA-N 0 0 378.384 2.088 10 0 biogenic,in-vitro GEAERN CCn1c(-c2cccs2)nnc1S(=O)(=O)Cc1nnc(C(C)C)n1C ZINC000183512552 532325668 /nfs/dbraw/zinc/32/56/68/532325668.db2.gz SATMHQIGYZWQAM-UHFFFAOYSA-N 0 0 380.499 2.252 10 0 GEAERN Cc1cc(Br)cc([C@@H]2NC(=O)[C@@H]3COCCN23)c1OC(F)F ZINC000182074725 532309013 /nfs/dbraw/zinc/30/90/13/532309013.db2.gz MMUPNKSVUYNRDI-CMPLNLGQSA-N 0 0 377.185 2.188 10 0 GEAERN CC(C)c1nnc(CS(=O)(=O)C[C@H](O)c2ccc(F)cc2Cl)n1C ZINC000185205044 532337162 /nfs/dbraw/zinc/33/71/62/532337162.db2.gz IEZYDIBWVSJDHO-ZDUSSCGKSA-N 0 0 375.853 2.379 10 0 GEAERN COCC(=O)NC1CN(C(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)C1 ZINC000185216721 532337198 /nfs/dbraw/zinc/33/71/98/532337198.db2.gz KVPNSWLXJBRYHF-SECBINFHSA-N 0 0 377.293 2.447 10 0 GEAERN CN(C)S(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2c2nccs2)cn1 ZINC000186135995 532340026 /nfs/dbraw/zinc/34/00/26/532340026.db2.gz CDDZOVDIASEOIE-ZDUSSCGKSA-N 0 0 380.495 2.156 10 0 GEAERN CSc1ccccc1S(=O)(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000187223354 532343507 /nfs/dbraw/zinc/34/35/07/532343507.db2.gz UZIPJIBHAWPZHX-UHFFFAOYSA-N 0 0 380.539 2.039 10 0 GEAERN O=C(CCc1cc(F)ccc1Br)N1CC[C@H](N2CCOCC2)C1 ZINC000184342656 532332306 /nfs/dbraw/zinc/33/23/06/532332306.db2.gz QOZZPYWDWTYLOA-HNNXBMFYSA-N 0 0 385.277 2.454 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)NCc2ccc(Br)s2)CC1 ZINC000184866146 532335323 /nfs/dbraw/zinc/33/53/23/532335323.db2.gz ZJKBDUDKRYLUGQ-NSHDSACASA-N 0 0 376.320 2.109 10 0 GEAERN Cc1ccc(CC(=O)N2CCO[C@H](Cn3cccn3)C2)cc1Br ZINC000187872985 532346047 /nfs/dbraw/zinc/34/60/47/532346047.db2.gz DPLNIBSABVVHQV-HNNXBMFYSA-N 0 0 378.270 2.424 10 0 GEAERN O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000187988971 532346224 /nfs/dbraw/zinc/34/62/24/532346224.db2.gz NVFHZRMCJMFYNI-UHFFFAOYSA-N 0 0 390.654 2.322 10 0 GEAERN CCN1CCC[C@@H](NC(=O)N(C)[C@@H]2CS(=O)(=O)c3ccc(Cl)cc32)C1 ZINC000188480499 532348457 /nfs/dbraw/zinc/34/84/57/532348457.db2.gz NITGXLAFIUDPKR-UKRRQHHQSA-N 0 0 385.917 2.294 10 0 GEAERN Cc1noc([C@H](C)N2CCN(C(=O)Nc3cccc(Br)n3)CC2)n1 ZINC000188603755 532348763 /nfs/dbraw/zinc/34/87/63/532348763.db2.gz OSRTUHINQBHGRA-JTQLQIEISA-N 0 0 395.261 2.446 10 0 GEAERN C[C@H]1C(=O)NCCCN1C(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000188840864 532349695 /nfs/dbraw/zinc/34/96/95/532349695.db2.gz SMOQNWBWIRQTBL-WDEREUQCSA-N 0 0 384.263 2.083 10 0 GEAERN CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2CO)cc1Br ZINC000188871679 532349824 /nfs/dbraw/zinc/34/98/24/532349824.db2.gz AWNYPDDFRHURAQ-BXUZGUMPSA-N 0 0 399.285 2.454 10 0 GEAERN COc1cc(Br)ccc1[C@H](C)NC(=O)NC[C@H]1CN(C)CCO1 ZINC000189366747 532351974 /nfs/dbraw/zinc/35/19/74/532351974.db2.gz GJTIYPSHUDGNSB-AAEUAGOBSA-N 0 0 386.290 2.149 10 0 GEAERN COc1cc(Br)ccc1[C@H](C)NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000189714177 532353352 /nfs/dbraw/zinc/35/33/52/532353352.db2.gz TVXKNKTUZBXUCG-CMPLNLGQSA-N 0 0 394.273 2.424 10 0 GEAERN CCN(C[C@@H](O)C(F)(F)F)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000190082213 532354866 /nfs/dbraw/zinc/35/48/66/532354866.db2.gz ROKQBVLHPVTOBF-ZWNOBZJWSA-N 0 0 382.404 2.106 10 0 GEAERN COc1cc(C)c(Br)cc1NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000190405696 532355885 /nfs/dbraw/zinc/35/58/85/532355885.db2.gz NYTFQTDMPLNRMB-SNVBAGLBSA-N 0 0 380.246 2.494 10 0 GEAERN CC(=O)NC1CN(C(=O)c2c(C)nn(-c3ccc(Br)cc3)c2C)C1 ZINC000190497112 532356435 /nfs/dbraw/zinc/35/64/35/532356435.db2.gz ZRIUQGGGDURTPN-UHFFFAOYSA-N 0 0 391.269 2.212 10 0 GEAERN COC(=O)[C@@]1(C)CCCN1C(=O)c1cc(I)ccc1O ZINC000190518587 532356544 /nfs/dbraw/zinc/35/65/44/532356544.db2.gz VGSJJKZQVKJGDB-CQSZACIVSA-N 0 0 389.189 2.165 10 0 GEAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)Cc2ccc(Cl)c(F)c2)n1 ZINC000190878588 532358535 /nfs/dbraw/zinc/35/85/35/532358535.db2.gz ZKMDDRJZLBUYEI-ZDUSSCGKSA-N 0 0 375.809 2.074 10 0 GEAERN Cc1noc([C@@H]2COCCN2C[C@H](O)c2ccc(F)c(Br)c2)n1 ZINC000187468717 532344620 /nfs/dbraw/zinc/34/46/20/532344620.db2.gz UNGRGPDYYZSRKL-KBPBESRZSA-N 0 0 386.221 2.387 10 0 GEAERN Cc1cnn(C[C@H]2CN(C(=O)c3nc(Br)ccc3C)CCO2)c1 ZINC000191581377 532361516 /nfs/dbraw/zinc/36/15/16/532361516.db2.gz FLHRXXZYFYWWAN-CYBMUJFWSA-N 0 0 379.258 2.199 10 0 GEAERN COC(=O)CN(Cc1nnnn1C(C)C)Cc1cccc(Br)c1 ZINC000191613345 532361614 /nfs/dbraw/zinc/36/16/14/532361614.db2.gz NMRMLUVUKFECOS-UHFFFAOYSA-N 0 0 382.262 2.192 10 0 GEAERN COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000192088562 532385408 /nfs/dbraw/zinc/38/54/08/532385408.db2.gz JZQRRIJEZVCGHI-SNVBAGLBSA-N 0 0 384.223 2.183 10 0 GEAERN C[C@@H](NC(=O)[C@H]1CCCN1c1nccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000192995772 532415166 /nfs/dbraw/zinc/41/51/66/532415166.db2.gz MEEONDRJCRBQOV-IUODEOHRSA-N 0 0 379.507 2.393 10 0 GEAERN Cc1cc(N2CCC[C@H](NC(=O)c3ccoc3Br)C2=O)n(C)n1 ZINC000193653370 532428832 /nfs/dbraw/zinc/42/88/32/532428832.db2.gz VVWDFWYWQTZHOQ-NSHDSACASA-N 0 0 381.230 2.009 10 0 GEAERN CCn1c(C)nnc1C[S@@](=O)Cc1cn2cc(Br)ccc2n1 ZINC000194268234 532445853 /nfs/dbraw/zinc/44/58/53/532445853.db2.gz YYEBOERWBWLHPB-QFIPXVFZSA-N 0 0 382.287 2.466 10 0 GEAERN Cn1cccc1C(=O)N[C@H]1CCN2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2C1 ZINC000003840351 291117158 /nfs/dbraw/zinc/11/71/58/291117158.db2.gz YFNVSQPTEPWTFP-BBRMVZONSA-N 0 0 386.839 2.408 10 0 GEAERN C[C@@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1ccc(Br)cc1Cl ZINC000282669529 532486085 /nfs/dbraw/zinc/48/60/85/532486085.db2.gz VYQDVCYOCUGBOE-OIBJUYFYSA-N 0 0 381.679 2.048 10 0 GEAERN Cc1cc(Cl)c(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)cc1Cl ZINC000246315608 532537743 /nfs/dbraw/zinc/53/77/43/532537743.db2.gz IUZUZEIESNBJOM-NEPJUHHUSA-N 0 0 388.295 2.154 10 0 GEAERN CCCC(=O)N[C@H]1CCCN([C@@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000245891919 532524687 /nfs/dbraw/zinc/52/46/87/532524687.db2.gz GLFBRKPACFBCIR-GOEBONIOSA-N 0 0 382.302 2.356 10 0 GEAERN C[C@@H](NC(=O)CN1CC[C@@H](N2CCOCC2)C1)c1ccc(Br)cc1 ZINC000246142976 532532426 /nfs/dbraw/zinc/53/24/26/532532426.db2.gz DWIQBSDJHLSGEH-RHSMWYFYSA-N 0 0 396.329 2.033 10 0 GEAERN C[C@H](C(=O)N(C)C)S(=O)(=O)N1C[C@@H](c2ccccc2Cl)OCC1(C)C ZINC000249038684 532559094 /nfs/dbraw/zinc/55/90/94/532559094.db2.gz TZYBVPXDFAYKDK-DOMZBBRYSA-N 0 0 388.917 2.298 10 0 GEAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(c2nnc(-c3ccccc3Cl)s2)CCO1 ZINC000263446130 532627124 /nfs/dbraw/zinc/62/71/24/532627124.db2.gz YSEWGRKLEPURNK-NSHDSACASA-N 0 0 382.873 2.080 10 0 GEAERN CCc1cc(=O)n2nc(N3CCCN(c4nc(C)cs4)CC3)sc2n1 ZINC000301085975 532739821 /nfs/dbraw/zinc/73/98/21/532739821.db2.gz JRECYUXXXYLWMQ-UHFFFAOYSA-N 0 0 376.511 2.195 10 0 GEAERN COC(=O)Cn1ncc2c1ncnc2NCCc1ccc(Br)o1 ZINC000301702692 532757985 /nfs/dbraw/zinc/75/79/85/532757985.db2.gz QOYLAWLRTMTRCB-UHFFFAOYSA-N 0 0 380.202 2.009 10 0 GEAERN COC(=O)c1ccc(CNc2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)o1 ZINC000301425731 532751373 /nfs/dbraw/zinc/75/13/73/532751373.db2.gz HFLLNFLDEHJRKO-UHFFFAOYSA-N 0 0 378.328 2.345 10 0 GEAERN CCS[C@H]1CC[C@@]1(O)CNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 ZINC000301491365 532751900 /nfs/dbraw/zinc/75/19/00/532751900.db2.gz NJLBWHCILIIHIU-QWHCGFSZSA-N 0 0 384.445 2.411 10 0 GEAERN CCS[C@@H]1CC[C@]1(O)CNc1ccc(S(N)(=O)=O)cc1C(F)(F)F ZINC000301479891 532752362 /nfs/dbraw/zinc/75/23/62/532752362.db2.gz DDFPSBGHWHMAOC-OLZOCXBDSA-N 0 0 384.445 2.411 10 0 GEAERN Cc1cc(S(=O)(=O)NCCNc2ccc(S(C)(=O)=O)cc2)c(C)s1 ZINC000302101757 532766012 /nfs/dbraw/zinc/76/60/12/532766012.db2.gz VJZKGPIVWRUNNK-UHFFFAOYSA-N 0 0 388.536 2.159 10 0 GEAERN COC(=O)[C@@H]1[C@@H](C(=O)OC)N(Cc2ccccc2)C(=O)N1Cc1ccccc1 ZINC000001653458 212251433 /nfs/dbraw/zinc/25/14/33/212251433.db2.gz BBTUUSONTSSVJB-ROUUACIJSA-N 0 0 382.416 2.208 10 0 GEAERN Nc1nc(-c2ccncc2)ncc1S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000001038480 212207976 /nfs/dbraw/zinc/20/79/76/212207976.db2.gz YZEOWNVHOWTHSI-UHFFFAOYSA-N 0 0 381.339 2.367 10 0 GEAERN Cn1nc(C(F)(F)F)c(CS(=O)(=O)C2=NOC(C)(C)C2)c1OC(F)F ZINC000035803352 212160553 /nfs/dbraw/zinc/16/05/53/212160553.db2.gz CASLETQIYIQFTQ-UHFFFAOYSA-N 0 0 391.318 2.468 10 0 GEAERN O=C1N[C@@H](CC[C@@H]2NC(=O)N(c3ccccc3)C2=O)C(=O)N1c1ccccc1 ZINC000003619273 212146312 /nfs/dbraw/zinc/14/63/12/212146312.db2.gz ARQRJSDVJPRWPO-HOTGVXAUSA-N 0 0 378.388 2.017 10 0 GEAERN CC(C)n1cc(C[C@H]2NC(=O)N(CCCOc3ccc(F)cc3)C2=O)nn1 ZINC000328609840 212084740 /nfs/dbraw/zinc/08/47/40/212084740.db2.gz FXVRANPFAUXDEG-MRXNPFEDSA-N 0 0 375.404 2.135 10 0 GEAERN O=C1O[C@@H]2[C@H]3[C@@H]([C@H]1C[C@H]2O)N(c1ccccc1)C(=S)N3Cc1cccs1 ZINC000008253668 221032797 /nfs/dbraw/zinc/03/27/97/221032797.db2.gz JKSGIMZOACMFFD-HHARLNAUSA-N 0 0 386.498 2.399 10 0 GEAERN CCCNC(=O)[C@H](C)NC(=O)CCn1c(=S)[nH]nc1-c1ccc(OC)cc1 ZINC000009315215 221076961 /nfs/dbraw/zinc/07/69/61/221076961.db2.gz 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ZINC000065239951 136161076 /nfs/dbraw/zinc/16/10/76/136161076.db2.gz CBCWUHMEUPTHRT-UHFFFAOYSA-N 0 0 382.399 2.199 10 0 GEAERN Cc1cc(Sc2nc(NC(C)C)nc(N3CCOCC3)n2)nc(Cl)n1 ZINC000016855395 136202156 /nfs/dbraw/zinc/20/21/56/136202156.db2.gz YUILHQPXMZVQTD-UHFFFAOYSA-N 0 0 381.893 2.432 10 0 GEAERN CN(C)c1nc(N2CCOCC2)ncc1NC(=O)Nc1cc(F)cc(F)c1 ZINC000224147545 136206441 /nfs/dbraw/zinc/20/64/41/136206441.db2.gz VPPAEWRCWXFLQO-UHFFFAOYSA-N 0 0 378.383 2.301 10 0 GEAERN CC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\c3ccc(C)o3)c(=O)n12 ZINC000022357472 221558970 /nfs/dbraw/zinc/55/89/70/221558970.db2.gz MYAULFUUOJKVDD-GUMDIEMWSA-N 0 0 394.452 2.176 10 0 GEAERN Cc1ncc(-c2cc(C(=O)N3CCN(C)C(=O)[C@H]3C)c3ccccc3n2)cn1 ZINC000023231452 221589266 /nfs/dbraw/zinc/58/92/66/221589266.db2.gz UNBODUYTYPJOLX-CYBMUJFWSA-N 0 0 375.432 2.303 10 0 GEAERN CCN(CC)C(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(=O)C2CC2)CC1 ZINC000036157501 221845016 /nfs/dbraw/zinc/84/50/16/221845016.db2.gz HNVIPXHJIFCGHE-IBGZPJMESA-N 0 0 385.508 2.302 10 0 GEAERN CC(=O)N1CCC([C@@H](NC(=O)c2cccs2)C(=O)N[C@H](C)C(C)C)CC1 ZINC000036209620 221847237 /nfs/dbraw/zinc/84/72/37/221847237.db2.gz RBPNBDNUVNMGCQ-CXAGYDPISA-N 0 0 379.526 2.266 10 0 GEAERN Cc1ccc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2c(F)cccc2Cl)o1 ZINC000055197697 222018471 /nfs/dbraw/zinc/01/84/71/222018471.db2.gz GRDYQEIXJCMWGA-KRWDZBQOSA-N 0 0 393.846 2.387 10 0 GEAERN CC(C)NC(=O)N1CCC(c2ccn3ncc(C(=O)N4CCOCC4)c3c2)CC1 ZINC000064612024 222076467 /nfs/dbraw/zinc/07/64/67/222076467.db2.gz YWGBMDINXJANHG-UHFFFAOYSA-N 0 0 399.495 2.104 10 0 GEAERN Cc1noc(-c2ccc(C)c(S(=O)(=O)CCC(=O)N3CCOCC3)c2)c1C ZINC000064867334 222085995 /nfs/dbraw/zinc/08/59/95/222085995.db2.gz WBXXQDNRPSVNTH-UHFFFAOYSA-N 0 0 392.477 2.289 10 0 GEAERN CC(C)CN1CCn2cc(S(=O)(=O)NCc3ccc(F)cc3)cc2C1=O ZINC000065254825 222117324 /nfs/dbraw/zinc/11/73/24/222117324.db2.gz REEIMRZSDFENIU-UHFFFAOYSA-N 0 0 379.457 2.218 10 0 GEAERN COc1ccccc1C(=O)N1CCc2nc(CNC(=O)C3CCC3)n(C)c2C1 ZINC000065284550 222120226 /nfs/dbraw/zinc/12/02/26/222120226.db2.gz VQNXJJUOEBSDCC-UHFFFAOYSA-N 0 0 382.464 2.044 10 0 GEAERN Cc1nn(C)c(N2CCOCC2)c1[C@@H]1CC(=O)Nc2c1cnn2CCC(C)C ZINC000065398621 222127722 /nfs/dbraw/zinc/12/77/22/222127722.db2.gz NYMNZJPONFJWGW-OAHLLOKOSA-N 0 0 386.500 2.282 10 0 GEAERN COc1ccc([C@@H](C)NS(=O)(=O)c2sc3c(c2C(=O)[O-])CC[NH2+]C3)cc1 ZINC000067954700 222169650 /nfs/dbraw/zinc/16/96/50/222169650.db2.gz UMZKUDYTUXQYBJ-SNVBAGLBSA-N 0 0 396.490 2.140 10 0 GEAERN CC(C)(C)OC(=O)NC[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000095087552 222330797 /nfs/dbraw/zinc/33/07/97/222330797.db2.gz HBTYPSYPKGJHOL-ZDUSSCGKSA-N 0 0 379.482 2.372 10 0 GEAERN CC(=O)N1CCc2c(nc(N(C)C)nc2N[C@H](C)c2nc3ccccc3[nH]2)C1 ZINC000077386922 222280172 /nfs/dbraw/zinc/28/01/72/222280172.db2.gz ATUKWBUOWVRPAB-GFCCVEGCSA-N 0 0 379.468 2.497 10 0 GEAERN CCCCC[C@H](O)/C=C/[C@@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NCCO ZINC000098087640 222453737 /nfs/dbraw/zinc/45/37/37/222453737.db2.gz XCVCLIRZZCGEMU-CBUDOHQXSA-N 0 0 397.556 2.067 10 0 GEAERN CC(C)(C)CN1CCNC(=O)[C@H]1CC(=O)NCc1cc(-c2ccccc2)on1 ZINC000012612863 518662844 /nfs/dbraw/zinc/66/28/44/518662844.db2.gz ZSSFPJRNUWRYNB-QGZVFWFLSA-N 0 0 384.480 2.194 10 0 GEAERN CCCOCCc1nnc(NC(=O)CCN2C(=O)c3ccccc3C2=O)s1 ZINC000095116346 528593414 /nfs/dbraw/zinc/59/34/14/528593414.db2.gz UDEGKKXVKGYAPK-UHFFFAOYSA-N 0 0 388.449 2.132 10 0 GEAERN CCc1cnc(C)nc1N1CCC(N2CCN(C(=O)c3ccc[nH]3)CC2)CC1 ZINC000096137477 536020533 /nfs/dbraw/zinc/02/05/33/536020533.db2.gz WKYJHSQSLMCZOP-UHFFFAOYSA-N 0 0 382.512 2.102 10 0 GEAERN COc1ccccc1CNC(=O)CN(C)S(=O)(=O)c1cccc2cccnc21 ZINC000005067592 570217935 /nfs/dbraw/zinc/21/79/35/570217935.db2.gz RPQCPUQGUWXFGK-UHFFFAOYSA-N 0 0 399.472 2.180 10 0 GEAERN CCOC[C@H](O)CN(Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)C1CC1 ZINC000036205089 570569021 /nfs/dbraw/zinc/56/90/21/570569021.db2.gz AXDLBALSFMGPKN-TZMCWYRMSA-N 0 0 391.537 2.471 10 0 GEAERN CC(C)[C@@H](O)CN1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc(F)cc2)C1 ZINC000169679872 570600961 /nfs/dbraw/zinc/60/09/61/570600961.db2.gz RXKRJBOTWBGXRP-UXHICEINSA-N 0 0 378.488 2.396 10 0 GEAERN COc1ccc(S(=O)(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1OC ZINC000275360790 570691027 /nfs/dbraw/zinc/69/10/27/570691027.db2.gz VOXFNNOSXKEDSA-ZFWWWQNUSA-N 0 0 383.491 2.162 10 0 GEAERN COCCn1c(=O)c2c(ncn2Cc2ccc(F)cc2)n(-c2ccccc2)c1=O ZINC000034692837 570693485 /nfs/dbraw/zinc/69/34/85/570693485.db2.gz TZLHIAHEHOWSFM-UHFFFAOYSA-N 0 0 394.406 2.183 10 0 GEAERN CCNC(=O)c1cn(-c2ccccc2)nc1[C@H]1CCCN([C@@H](C)C(=O)N(C)C)C1 ZINC000583623753 570801309 /nfs/dbraw/zinc/80/13/09/570801309.db2.gz WEMAOJNXVRCSDB-IRXDYDNUSA-N 0 0 397.523 2.278 10 0 GEAERN C[C@H](NC(=O)c1cccs1)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000054321184 642751502 /nfs/dbraw/zinc/75/15/02/642751502.db2.gz FBMDHPBOOGJESA-RYUDHWBXSA-N 0 0 380.491 2.147 10 0 GEAERN CC(=O)N[C@@H]1CCCN(C(=O)NCCOc2ccc(Br)cc2)C1 ZINC000068406099 642995482 /nfs/dbraw/zinc/99/54/82/642995482.db2.gz ZZRHQIZAKOBOLX-CQSZACIVSA-N 0 0 384.274 2.138 10 0 GEAERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000070690043 643051397 /nfs/dbraw/zinc/05/13/97/643051397.db2.gz IPAIQIPMKLONMD-GFCCVEGCSA-N 0 0 398.301 2.385 10 0 GEAERN COc1cc(I)c(Cl)cc1C(=O)NCC1CC(O)C1 ZINC000091424310 643065854 /nfs/dbraw/zinc/06/58/54/643065854.db2.gz HBYZIMMKIZQASA-UHFFFAOYSA-N 0 0 395.624 2.454 10 0 GEAERN CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1c[nH]c2nccc(Cl)c12 ZINC000093924144 643084094 /nfs/dbraw/zinc/08/40/94/643084094.db2.gz DMHPWNZIHJKRMQ-JTQLQIEISA-N 0 0 380.861 2.184 10 0 GEAERN CCCC(=O)N[C@@H]1CCCN(Cn2nnn(Cc3cccs3)c2=S)C1 ZINC000101538857 643107124 /nfs/dbraw/zinc/10/71/24/643107124.db2.gz FREWRCMJZDXGNZ-CYBMUJFWSA-N 0 0 380.543 2.257 10 0 GEAERN C[C@@H](NCC(=O)NC(=O)NCC(F)(F)F)c1ccccc1Br ZINC000102684051 643132803 /nfs/dbraw/zinc/13/28/03/643132803.db2.gz POVJDTVACBPHQM-MRVPVSSYSA-N 0 0 382.180 2.488 10 0 GEAERN COC[C@@H](C)C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000103431270 643164952 /nfs/dbraw/zinc/16/49/52/643164952.db2.gz ICBISQRQYAJQGD-LLVKDONJSA-N 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CVKKWYZKQUTRCZ-IRXDYDNUSA-N 0 0 380.286 2.388 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000106396208 643230002 /nfs/dbraw/zinc/23/00/02/643230002.db2.gz OHNGCPSBWAXOCS-BBWFWOEESA-N 0 0 381.314 2.468 10 0 GEAERN CNS(=O)(=O)c1ccc(CNC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)s1 ZINC000109082551 643289538 /nfs/dbraw/zinc/28/95/38/643289538.db2.gz MTYCMICTQBZDJN-RYUDHWBXSA-N 0 0 386.445 2.354 10 0 GEAERN COc1cc(Br)ccc1C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000111088410 643326284 /nfs/dbraw/zinc/32/62/84/643326284.db2.gz HLOVRBRCVLCAAS-ZDUSSCGKSA-N 0 0 380.242 2.195 10 0 GEAERN Cc1noc([C@@H](C)N2CCN(S(=O)(=O)c3ccc(C)c(Cl)c3)CC2)n1 ZINC000111344638 643335411 /nfs/dbraw/zinc/33/54/11/643335411.db2.gz ZSVYRTNAFZFBOI-GFCCVEGCSA-N 0 0 384.889 2.407 10 0 GEAERN CCc1csc([C@H]2CCCN(C(=O)c3csc(S(N)(=O)=O)c3)C2)n1 ZINC000113205558 643385634 /nfs/dbraw/zinc/38/56/34/643385634.db2.gz IXPAXMPEVHGOLV-JTQLQIEISA-N 0 0 385.536 2.434 10 0 GEAERN Cc1nc(CN2CCCN(C(=O)Cc3ccc(Br)s3)CC2)no1 ZINC000114333576 643414315 /nfs/dbraw/zinc/41/43/15/643414315.db2.gz ZIVYQZQZGLTTSZ-UHFFFAOYSA-N 0 0 399.314 2.479 10 0 GEAERN Cn1cc([C@H]2CCN(C(=O)c3sccc3S(=O)(=O)C(F)F)C2)cn1 ZINC000116122051 643452534 /nfs/dbraw/zinc/45/25/34/643452534.db2.gz GENYNBZMUXAZCG-VIFPVBQESA-N 0 0 375.422 2.108 10 0 GEAERN Cn1cc([C@@H]2CCN(CN3C(=O)C(=O)c4cc(Br)ccc43)C2)cn1 ZINC000116258920 643455891 /nfs/dbraw/zinc/45/58/91/643455891.db2.gz CXPNCCBNUYZJAI-LLVKDONJSA-N 0 0 389.253 2.159 10 0 GEAERN Cc1c(Br)cccc1NC(=O)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116587859 643465563 /nfs/dbraw/zinc/46/55/63/643465563.db2.gz RURGGFNSVYXHCY-GFCCVEGCSA-N 0 0 391.269 2.446 10 0 GEAERN Cn1cc([C@H]2CCN(C(=O)C(=O)Nc3ccc(Br)cc3F)C2)cn1 ZINC000116587184 643465798 /nfs/dbraw/zinc/46/57/98/643465798.db2.gz PLKKIULVLXRYKY-JTQLQIEISA-N 0 0 395.232 2.276 10 0 GEAERN Cc1nc(CN2CCCN(C(=O)NCC[S@@](=O)C(C)(C)C)CC2)cs1 ZINC000116966500 643479375 /nfs/dbraw/zinc/47/93/75/643479375.db2.gz SBEGVQXOKWWJOC-VWLOTQADSA-N 0 0 386.587 2.216 10 0 GEAERN COCCN1CCN(C(=O)c2csc(I)c2)C[C@H]1C ZINC000117296835 643486690 /nfs/dbraw/zinc/48/66/90/643486690.db2.gz YGBIPUUVTULDDE-SNVBAGLBSA-N 0 0 394.278 2.145 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)c2cnc(Cl)c(C)c2)C[C@@H]1CC ZINC000117365990 643488880 /nfs/dbraw/zinc/48/88/80/643488880.db2.gz FOSFVHZYHYOYJA-AWEZNQCLSA-N 0 0 375.922 2.165 10 0 GEAERN COCCN1CCN(C(=O)NCc2ccc(Br)c(F)c2)C[C@H]1C ZINC000117486626 643491480 /nfs/dbraw/zinc/49/14/80/643491480.db2.gz ZFAHCMLYNNUCRP-GFCCVEGCSA-N 0 0 388.281 2.450 10 0 GEAERN COCCN1CCN(C(=O)NCCNc2ncc(Cl)cc2Cl)C[C@@H]1C ZINC000117479236 643491674 /nfs/dbraw/zinc/49/16/74/643491674.db2.gz AFBIFOMYANAVRK-LBPRGKRZSA-N 0 0 390.315 2.162 10 0 GEAERN Cc1cnn(CCNC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)c1 ZINC000117818627 643500036 /nfs/dbraw/zinc/50/00/36/643500036.db2.gz OZZLSOJRWCZXKK-ZDUSSCGKSA-N 0 0 391.269 2.123 10 0 GEAERN CCn1cc(NC(=O)C(=O)N[C@@H](C)c2ccccc2Br)ccc1=O ZINC000119244966 643544957 /nfs/dbraw/zinc/54/49/57/643544957.db2.gz DEPVFAPWNHPBDJ-NSHDSACASA-N 0 0 392.253 2.447 10 0 GEAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cc(Br)cs1 ZINC000120128483 643593991 /nfs/dbraw/zinc/59/39/91/643593991.db2.gz QMDWVGJYGRIDGI-ZDUSSCGKSA-N 0 0 382.283 2.406 10 0 GEAERN Cc1cnn(C[C@H]2CN(C(=O)COc3ccccc3Br)CCO2)c1 ZINC000121873632 643643842 /nfs/dbraw/zinc/64/38/42/643643842.db2.gz BTSVAOKUFFIMGV-CQSZACIVSA-N 0 0 394.269 2.260 10 0 GEAERN CCCS(=O)(=O)CC(=O)N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000123426594 643669793 /nfs/dbraw/zinc/66/97/93/643669793.db2.gz PLTVNBLYBNAZHN-KBPBESRZSA-N 0 0 379.400 2.165 10 0 GEAERN COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2C)C[C@@H]1C ZINC000124986057 643696973 /nfs/dbraw/zinc/69/69/73/643696973.db2.gz IQIFABMFNKSXHH-CMPLNLGQSA-N 0 0 376.272 2.187 10 0 GEAERN CC(C)c1n[nH]c(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)c1Br ZINC000125095034 643701088 /nfs/dbraw/zinc/70/10/88/643701088.db2.gz GTKNBJYLMYEGGW-LLVKDONJSA-N 0 0 393.289 2.484 10 0 GEAERN C[C@H]1CN(C(=O)NCc2ccc(O)c(Br)c2)C[C@@H]1N1CCOCC1 ZINC000126150664 643722947 /nfs/dbraw/zinc/72/29/47/643722947.db2.gz ZZIXTVIDLAMJSQ-WFASDCNBSA-N 0 0 398.301 2.017 10 0 GEAERN C[C@H](NC(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1ccccc1Br ZINC000126725474 643744250 /nfs/dbraw/zinc/74/42/50/643744250.db2.gz QBOYSIRVSYOPJS-QWRGUYRKSA-N 0 0 375.288 2.339 10 0 GEAERN O=C(NCCc1nccs1)[C@@H]1CCC[C@@H]1C(=O)NCCc1nccs1 ZINC000127409094 643775516 /nfs/dbraw/zinc/77/55/16/643775516.db2.gz OPVNZVPHPJAMMO-BETUJISGSA-N 0 0 378.523 2.034 10 0 GEAERN CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000151275336 643934322 /nfs/dbraw/zinc/93/43/22/643934322.db2.gz KNRTVGVKOXMUNW-PXAZEXFGSA-N 0 0 386.901 2.015 10 0 GEAERN CCNS(=O)(=O)c1ccc(CNS(=O)(=O)/C=C/c2ccccc2)cc1 ZINC000153134059 643977792 /nfs/dbraw/zinc/97/77/92/643977792.db2.gz MRGLCNZZGIPOHS-OUKQBFOZSA-N 0 0 380.491 2.075 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)Cc3cc(Br)ccc3F)CCO2)[nH]1 ZINC000153224281 643981807 /nfs/dbraw/zinc/98/18/07/643981807.db2.gz GXKFMTVLOITZCX-CYBMUJFWSA-N 0 0 383.221 2.157 10 0 GEAERN O=C(N[C@H]1CCCn2ncnc21)c1cn(-c2ccc(Br)cc2)cn1 ZINC000155577585 644075872 /nfs/dbraw/zinc/07/58/72/644075872.db2.gz LNEVPPDHAZJWQX-ZDUSSCGKSA-N 0 0 387.241 2.491 10 0 GEAERN COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000156330470 644089182 /nfs/dbraw/zinc/08/91/82/644089182.db2.gz KFIJWIXDYCSJMM-AWEZNQCLSA-N 0 0 383.857 2.386 10 0 GEAERN O=C(Nc1ccc(Cl)c(Br)c1)C(=O)N[C@H]1CCCn2ncnc21 ZINC000156402694 644094471 /nfs/dbraw/zinc/09/44/71/644094471.db2.gz GJGPDMUEJXZRIY-NSHDSACASA-N 0 0 398.648 2.284 10 0 GEAERN O=C(Nc1ccc(Cl)cc1Br)C(=O)N[C@H]1CCCn2ncnc21 ZINC000156796407 644117954 /nfs/dbraw/zinc/11/79/54/644117954.db2.gz HDMZPENMHSEGGT-NSHDSACASA-N 0 0 398.648 2.284 10 0 GEAERN CCc1nc2n(n1)C[C@H](N[C@@H](C(=O)OC)c1cccc(Br)c1)CC2 ZINC000158928151 644168492 /nfs/dbraw/zinc/16/84/92/644168492.db2.gz XKWQRXBLASZVSF-CZUORRHYSA-N 0 0 393.285 2.422 10 0 GEAERN COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2F)C[C@@H]1C ZINC000161941505 644226039 /nfs/dbraw/zinc/22/60/39/644226039.db2.gz KXVMCQAUSBSEJP-WPRPVWTQSA-N 0 0 380.235 2.018 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)Cc2c(F)cccc2F)C[C@@H]1CC ZINC000162966390 644243662 /nfs/dbraw/zinc/24/36/62/644243662.db2.gz LIVLFPDDGLMROL-AWEZNQCLSA-N 0 0 376.469 2.227 10 0 GEAERN C[C@H](CNC(=O)N[C@@H](C)Cc1ccccc1Br)N1CCOCC1 ZINC000164358432 644263434 /nfs/dbraw/zinc/26/34/34/644263434.db2.gz IKDHTVHZPGSGDF-UONOGXRCSA-N 0 0 384.318 2.400 10 0 GEAERN Cc1noc([C@@H](C)N2CCN(C(=O)Nc3ccc(Br)nc3)CC2)n1 ZINC000166250394 644273699 /nfs/dbraw/zinc/27/36/99/644273699.db2.gz JYBTUAVUROPDCO-SNVBAGLBSA-N 0 0 395.261 2.446 10 0 GEAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc(Br)nc1 ZINC000166596467 644277309 /nfs/dbraw/zinc/27/73/09/644277309.db2.gz BCLBKWUQGRMEAN-JTQLQIEISA-N 0 0 381.234 2.239 10 0 GEAERN CCc1nnc([C@@H]2CN(C(=O)Nc3ccc(Br)nc3)CCO2)[nH]1 ZINC000166896321 644278656 /nfs/dbraw/zinc/27/86/56/644278656.db2.gz XMUTWQMMPJEAIT-JTQLQIEISA-N 0 0 381.234 2.130 10 0 GEAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(I)cc1Cl ZINC000170823486 644289981 /nfs/dbraw/zinc/28/99/81/644289981.db2.gz QMDYESWNFYUNBI-WKEGUHRASA-N 0 0 378.597 2.408 10 0 GEAERN C[C@H](OC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)c1cccs1 ZINC000171106945 644310485 /nfs/dbraw/zinc/31/04/85/644310485.db2.gz UWTNHEJZWOYSHA-QMMMGPOBSA-N 0 0 397.254 2.258 10 0 GEAERN COC(=O)[C@H]1C[C@@H]1C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000171191041 644315169 /nfs/dbraw/zinc/31/51/69/644315169.db2.gz VPPGEHBJDFJEEP-RYUDHWBXSA-N 0 0 383.242 2.033 10 0 GEAERN Cc1nc(C[C@H]2CCCN(S(=O)(=O)c3c(F)cc(F)cc3F)C2)no1 ZINC000171429098 644321792 /nfs/dbraw/zinc/32/17/92/644321792.db2.gz KBZIWJWYUNJDEZ-SNVBAGLBSA-N 0 0 375.372 2.439 10 0 GEAERN CCc1nnc(CS(=O)(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)n1C ZINC000180056109 644484887 /nfs/dbraw/zinc/48/48/87/644484887.db2.gz LWVOYAWEOCYLCQ-UHFFFAOYSA-N 0 0 388.280 2.447 10 0 GEAERN CC(=O)c1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2CO)ccc1Br ZINC000180452700 644503990 /nfs/dbraw/zinc/50/39/90/644503990.db2.gz DQLNGAMSHMDKNW-XHDPSFHLSA-N 0 0 390.299 2.481 10 0 GEAERN CC(C)c1nnc2n1C[C@@H](NS(=O)(=O)c1cnc(Cl)c(Cl)c1)CC2 ZINC000181723982 644945037 /nfs/dbraw/zinc/94/50/37/644945037.db2.gz LFCKCKKUBCPJPE-VIFPVBQESA-N 0 0 390.296 2.397 10 0 GEAERN C#C[C@@H](C)OC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000183632549 645000918 /nfs/dbraw/zinc/00/09/18/645000918.db2.gz XYTPENUTWKOZKN-CZUORRHYSA-N 0 0 375.471 2.429 10 0 GEAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(Cl)(Cl)Cl ZINC000184586079 645021967 /nfs/dbraw/zinc/02/19/67/645021967.db2.gz DKLRFENQPJUKLS-SSDOTTSWSA-N 0 0 385.656 2.027 10 0 GEAERN CCO[C@@H]1C[C@H](NS(=O)(=O)c2cc(F)c(F)cc2F)C12CCOCC2 ZINC000185158314 645037633 /nfs/dbraw/zinc/03/76/33/645037633.db2.gz NROIPAABNQGMMW-LSDHHAIUSA-N 0 0 379.400 2.356 10 0 GEAERN COCC(=O)NC1CN(C(=O)CCCOc2ccc(Cl)cc2Cl)C1 ZINC000185271959 645041934 /nfs/dbraw/zinc/04/19/34/645041934.db2.gz GVEUECWCGNAKHN-UHFFFAOYSA-N 0 0 375.252 2.126 10 0 GEAERN COC(=O)C[C@H](NC(=O)c1c[nH]c(=S)[nH]1)c1cccc(Br)c1 ZINC000187006253 645078214 /nfs/dbraw/zinc/07/82/14/645078214.db2.gz RRFHKNUIUDMNMS-JTQLQIEISA-N 0 0 384.255 2.495 10 0 GEAERN CCn1cc(CN2CCCN(C(=O)c3nc(Br)cs3)CC2)cn1 ZINC000187491424 645092188 /nfs/dbraw/zinc/09/21/88/645092188.db2.gz NUXGRFNXLBXOBO-UHFFFAOYSA-N 0 0 398.330 2.470 10 0 GEAERN CNC(=O)[C@H](NC(=O)/C=C/c1cc(Br)c(O)c(OC)c1)C(C)C ZINC000187658653 645097126 /nfs/dbraw/zinc/09/71/26/645097126.db2.gz HAXSASGQDUNZCZ-VBROQKIQSA-N 0 0 385.258 2.063 10 0 GEAERN COC(=O)[C@@]1(C)CCCN1C(=O)Cc1cccc(I)c1 ZINC000187651786 645097195 /nfs/dbraw/zinc/09/71/95/645097195.db2.gz OVXLUXDNGZMHLN-OAHLLOKOSA-N 0 0 387.217 2.388 10 0 GEAERN O=C(NC1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1)C1CC1 ZINC000187931656 645101011 /nfs/dbraw/zinc/10/10/11/645101011.db2.gz LBDLAMCVOWPIKP-UHFFFAOYSA-N 0 0 382.791 2.258 10 0 GEAERN O=C(c1cc(Br)c(F)cc1F)N1CCO[C@@H](Cn2cccn2)C1 ZINC000192098418 645193167 /nfs/dbraw/zinc/19/31/67/645193167.db2.gz YAMIBSXEEKXGNR-SNVBAGLBSA-N 0 0 386.196 2.465 10 0 GEAERN CNC(=O)[C@H](NC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl)C(C)C ZINC000192618008 645214519 /nfs/dbraw/zinc/21/45/19/645214519.db2.gz FDBRELYDTYILQF-CYBMUJFWSA-N 0 0 375.256 2.002 10 0 GEAERN Cc1cc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)ncc1Br ZINC000193576861 645286015 /nfs/dbraw/zinc/28/60/15/645286015.db2.gz NZDITSYNDDOHIU-PXAZEXFGSA-N 0 0 396.285 2.245 10 0 GEAERN CCN(CC)C(=O)C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000193765866 645296804 /nfs/dbraw/zinc/29/68/04/645296804.db2.gz RHOICJWBKYFDBQ-UHFFFAOYSA-N 0 0 384.274 2.093 10 0 GEAERN CC(C)C[C@@H](CN(C)C)NC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000193770099 645297446 /nfs/dbraw/zinc/29/74/46/645297446.db2.gz MTXOXBHYYAPOGN-HNNXBMFYSA-N 0 0 389.949 2.389 10 0 GEAERN O=C(Nc1cc(C(F)(F)F)ccc1Br)C(=O)N1CCC[C@@H]1CO ZINC000193770731 645297560 /nfs/dbraw/zinc/29/75/60/645297560.db2.gz AFPFJKLILYBWQM-SECBINFHSA-N 0 0 395.175 2.390 10 0 GEAERN O=C(Nc1cc(C(F)(F)F)ccc1Br)C(=O)N1CCC[C@H]1CO ZINC000193782553 645299011 /nfs/dbraw/zinc/29/90/11/645299011.db2.gz AFPFJKLILYBWQM-VIFPVBQESA-N 0 0 395.175 2.390 10 0 GEAERN CC(=O)NCCc1ccc(S(=O)(=O)N[C@H]2CCOc3ccccc32)s1 ZINC000193806854 645300633 /nfs/dbraw/zinc/30/06/33/645300633.db2.gz IAFCTDPAMMYMGH-HNNXBMFYSA-N 0 0 380.491 2.229 10 0 GEAERN CC[C@@H]1CN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)CCN1CCOC ZINC000194326511 645322197 /nfs/dbraw/zinc/32/21/97/645322197.db2.gz UUEHVUXDKOZSLH-WBVHZDCISA-N 0 0 397.313 2.322 10 0 GEAERN O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000194336791 645322557 /nfs/dbraw/zinc/32/25/57/645322557.db2.gz IMXFCKGQIPDHSC-WBMJQRKESA-N 0 0 391.269 2.283 10 0 GEAERN C[C@H](NC(=O)c1ccc(Br)c(S(C)(=O)=O)c1)[C@H]1CCCO1 ZINC000194628290 645338303 /nfs/dbraw/zinc/33/83/03/645338303.db2.gz SROYABCNGWNFHA-JOYOIKCWSA-N 0 0 376.272 2.150 10 0 GEAERN CCc1nnc(CSc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)n1C ZINC000194669630 645341497 /nfs/dbraw/zinc/34/14/97/645341497.db2.gz AXGOKDRAECLGST-UHFFFAOYSA-N 0 0 381.483 2.061 10 0 GEAERN C[C@@H]1CN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C[C@@H](C)O1 ZINC000194730649 645345770 /nfs/dbraw/zinc/34/57/70/645345770.db2.gz NYTNNLNCRJEHAO-NXEZZACHSA-N 0 0 376.272 2.102 10 0 GEAERN Cc1cc(Br)ccc1NC(=O)CN(C)Cc1nnnn1C(C)C ZINC000195023378 645355279 /nfs/dbraw/zinc/35/52/79/645355279.db2.gz FFIFLRGZCGOCBD-UHFFFAOYSA-N 0 0 381.278 2.395 10 0 GEAERN COc1c2c(sc1C(=O)N1CCN(S(=O)(=O)C(C)C)CC1)CCCC2 ZINC000223458861 645386600 /nfs/dbraw/zinc/38/66/00/645386600.db2.gz OOBAHJFHHIESSI-UHFFFAOYSA-N 0 0 386.539 2.132 10 0 GEAERN O=C(NCC[C@H](O)c1ccccc1)c1nn2c(c1Br)OCCC2 ZINC000223789112 645387549 /nfs/dbraw/zinc/38/75/49/645387549.db2.gz GQDRBRYISKTKNL-LBPRGKRZSA-N 0 0 380.242 2.282 10 0 GEAERN O=C(c1cc(I)ccc1O)N1CCC[C@H]1CCCO ZINC000236491901 645410357 /nfs/dbraw/zinc/41/03/57/645410357.db2.gz ZBIGNZYDSRKAIE-NSHDSACASA-N 0 0 375.206 2.374 10 0 GEAERN Cn1cc([C@H]2CCN([C@@H](C(N)=O)c3ccc(Br)cc3F)C2)cn1 ZINC000246709202 645489588 /nfs/dbraw/zinc/48/95/88/645489588.db2.gz LCMWKXZDEFHIIA-ZUZCIYMTSA-N 0 0 381.249 2.338 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@H]1C ZINC000246948426 645499045 /nfs/dbraw/zinc/49/90/45/645499045.db2.gz CPZYOOKIJNBRST-CYBMUJFWSA-N 0 0 380.432 2.437 10 0 GEAERN O[C@]12CCCC[C@@H]1CN(Cn1nc(Br)nc1Br)CC2 ZINC000247222712 645508041 /nfs/dbraw/zinc/50/80/41/645508041.db2.gz XVQKMFYOSYHFBI-SKDRFNHKSA-N 0 0 394.111 2.388 10 0 GEAERN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C[C@@H](O)COc1ccc(Br)cc1 ZINC000247743242 645517241 /nfs/dbraw/zinc/51/72/41/645517241.db2.gz PIDZDULLHJHZKA-BPLDGKMQSA-N 0 0 380.238 2.140 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)[C@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000247815866 645519819 /nfs/dbraw/zinc/51/98/19/645519819.db2.gz WFBHIAGMWGMFKE-ULQDDVLXSA-N 0 0 381.314 2.468 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)C[C@H]1C ZINC000248832987 645541480 /nfs/dbraw/zinc/54/14/80/645541480.db2.gz ISBWWQDKRXNCPR-CYBMUJFWSA-N 0 0 378.897 2.352 10 0 GEAERN Cc1noc([C@@H]2COCCN2C[C@@H](O)COc2ccc(Cl)cc2Cl)n1 ZINC000249372722 645553798 /nfs/dbraw/zinc/55/37/98/645553798.db2.gz XDIRKYWDDSQEEU-OCCSQVGLSA-N 0 0 388.251 2.498 10 0 GEAERN O=S(=O)(c1ccc(F)cc1Br)N1CCN2CCCC[C@H]2C1 ZINC000249773273 645560498 /nfs/dbraw/zinc/56/04/98/645560498.db2.gz UZKIYDDLZRIDST-LBPRGKRZSA-N 0 0 377.279 2.447 10 0 GEAERN C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)S(=O)(=O)/C=C\c1ccccc1 ZINC000255777935 645585904 /nfs/dbraw/zinc/58/59/04/645585904.db2.gz SJVYMRICIGIDPB-XMXAVACDSA-N 0 0 380.491 2.328 10 0 GEAERN C[C@H](c1ccc(Br)cc1)N1CCN(Cc2noc(CN)n2)CC1 ZINC000262291032 645624269 /nfs/dbraw/zinc/62/42/69/645624269.db2.gz VZROFEVPSCJRCP-GFCCVEGCSA-N 0 0 380.290 2.170 10 0 GEAERN C[N@H+](CC(=O)[O-])[C@@H]1CCCN(S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000262928284 645648106 /nfs/dbraw/zinc/64/81/06/645648106.db2.gz GAMVTOTZGVNYSK-GFCCVEGCSA-N 0 0 378.853 2.039 10 0 GEAERN CC[C@H](NC(=O)N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1)c1ccc(Cl)s1 ZINC000263221053 645657417 /nfs/dbraw/zinc/65/74/17/645657417.db2.gz KQJBDSCHDJSPSK-NEPJUHHUSA-N 0 0 389.905 2.279 10 0 GEAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(c2cnc3cc(Cl)c(Cl)cc3n2)CCO1 ZINC000263386416 645663199 /nfs/dbraw/zinc/66/31/99/645663199.db2.gz DWZUQBVBVWQTDE-JTQLQIEISA-N 0 0 385.251 2.158 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Cc2cc(F)ccc2Br)C1 ZINC000263466391 645666060 /nfs/dbraw/zinc/66/60/60/645666060.db2.gz WTFGSYCYLJZOBR-UHFFFAOYSA-N 0 0 387.249 2.184 10 0 GEAERN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1ccc(I)c(Cl)c1 ZINC000281736127 646793775 /nfs/dbraw/zinc/79/37/75/646793775.db2.gz HGHVBRKLVMEILY-CPCISQLKSA-N 0 0 392.624 2.342 10 0 GEAERN CN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@@H]1c1ncc[nH]1 ZINC000328634262 647311646 /nfs/dbraw/zinc/31/16/46/647311646.db2.gz TXMBJHAMAWPWMX-CYBMUJFWSA-N 0 0 375.281 2.394 10 0 GEAERN CS(=O)(=O)c1ccsc1NC(=O)[C@H](C[C@H]1COCCO1)C(F)(F)F ZINC000606445020 651553750 /nfs/dbraw/zinc/55/37/50/651553750.db2.gz IXMZZXSRBQHASF-IUCAKERBSA-N 0 0 387.401 2.074 10 0 GEAERN Cc1cccc(C(=O)N(C)C[C@@H]2CN(C)CCO2)c1I ZINC000601733384 653121670 /nfs/dbraw/zinc/12/16/70/653121670.db2.gz BSIYVWMLYUAWQT-LBPRGKRZSA-N 0 0 388.249 2.002 10 0 GEAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2ccc(Br)cc2)C1 ZINC000702851782 653320234 /nfs/dbraw/zinc/32/02/34/653320234.db2.gz PBMGDZLPSNROSP-JSGCOSHPSA-N 0 0 399.285 2.407 10 0 GEAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCN1CCC2(C1)OCCO2 ZINC000899052232 653997124 /nfs/dbraw/zinc/99/71/24/653997124.db2.gz AVPUPXUKRCKFRX-GFCCVEGCSA-N 0 0 389.279 2.326 10 0 GEAERN COCCN1CCN(C(=O)Nc2c(Cl)n(C)nc2C(F)(F)F)C[C@@H]1C ZINC000889195041 654128949 /nfs/dbraw/zinc/12/89/49/654128949.db2.gz QMEIUKKIQSMRRI-VIFPVBQESA-N 0 0 383.802 2.277 10 0 GEAERN O=C(c1csc(-c2ccc(Br)s2)n1)N1CCOC[C@@H]1CO ZINC000912421092 654753270 /nfs/dbraw/zinc/75/32/70/654753270.db2.gz OEEUHMITANBXDH-QMMMGPOBSA-N 0 0 389.296 2.467 10 0 GEAERN CCn1nccc1[C@H]1NC(=O)CC[C@H]1NC(=O)c1ccnc(Cl)c1Cl ZINC000912529574 654758320 /nfs/dbraw/zinc/75/83/20/654758320.db2.gz MFNVNZVVKRJHBV-YGRLFVJLSA-N 0 0 382.251 2.355 10 0 GEAERN O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1)NCc1ccccc1 ZINC000055042293 230936474 /nfs/dbraw/zinc/93/64/74/230936474.db2.gz FGKHFUJWIJNREF-GOSISDBHSA-N 0 0 389.858 2.486 10 0 GEAERN Nc1ccc(C(=O)N2CCC3(CCC(=O)N(CCc4ccccn4)C3)CC2)cn1 ZINC000091950678 230971775 /nfs/dbraw/zinc/97/17/75/230971775.db2.gz XBARSGAOQISXAH-UHFFFAOYSA-N 0 0 393.491 2.146 10 0 GEAERN CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@@H]1OC(=O)c1ccccc1 ZINC000256008804 222744350 /nfs/dbraw/zinc/74/43/50/222744350.db2.gz WHKUKOCUXSRSAR-RVNRYEFKSA-N 0 0 386.400 2.058 10 0 GEAERN CCc1csc([C@H]2CCCN(C(=O)c3coc(S(=O)(=O)NC)c3)C2)n1 ZINC000151784760 531521310 /nfs/dbraw/zinc/52/13/10/531521310.db2.gz FQZZNCKYBADPDG-NSHDSACASA-N 0 0 383.495 2.226 10 0 GEAERN CCOc1ccc2nc(N3CCC(C(=O)N[C@H]4CCOC4)CC3)nc(C)c2c1 ZINC000299762703 222786568 /nfs/dbraw/zinc/78/65/68/222786568.db2.gz WWHCANNXSIIMLA-INIZCTEOSA-N 0 0 384.480 2.458 10 0 GEAERN CC(C)[C@H](C)NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 ZINC000017054562 531571491 /nfs/dbraw/zinc/57/14/91/531571491.db2.gz WRQDPWBBQRBFFG-NSHDSACASA-N 0 0 377.304 2.278 10 0 GEAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)Cc1ccc(Br)o1 ZINC000152912057 531577863 /nfs/dbraw/zinc/57/78/63/531577863.db2.gz SDBNWZOVWZRCTC-NSHDSACASA-N 0 0 398.261 2.457 10 0 GEAERN COCCCS(=O)(=O)NCC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000152994416 531581414 /nfs/dbraw/zinc/58/14/14/531581414.db2.gz PCMUJJXIWKZRNV-SNVBAGLBSA-N 0 0 383.297 2.127 10 0 GEAERN C[C@@H](NC(=O)[C@H]1CCCN1S(C)(=O)=O)c1ccccc1Br ZINC000025320279 531612306 /nfs/dbraw/zinc/61/23/06/531612306.db2.gz JSUSHCIKYCNKEM-ZWNOBZJWSA-N 0 0 375.288 2.050 10 0 GEAERN C[C@H]1CC[C@@H](C(=O)NCCC(=O)N(C)Cc2ccccc2Br)O1 ZINC000153985381 531616065 /nfs/dbraw/zinc/61/60/65/531616065.db2.gz UVFYTVKEPUIMNI-WFASDCNBSA-N 0 0 383.286 2.481 10 0 GEAERN C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)[C@@H]1CCCO1 ZINC000027910143 531626992 /nfs/dbraw/zinc/62/69/92/531626992.db2.gz RLYBQKUAMAVGHC-HUBLWGQQSA-N 0 0 381.270 2.486 10 0 GEAERN CC(C)CC(=O)N[C@H](C(=O)Nc1cc(Br)c(=O)n(C)c1)C(C)C ZINC000154966008 531646224 /nfs/dbraw/zinc/64/62/24/531646224.db2.gz WVRBKHZCPVIVMG-AWEZNQCLSA-N 0 0 386.290 2.273 10 0 GEAERN C[C@@H](NC(=O)Cn1nc2ccccn2c1=O)c1cccc(Br)c1 ZINC000030464410 531636633 /nfs/dbraw/zinc/63/66/33/531636633.db2.gz PVNDNUPKVHBHOH-LLVKDONJSA-N 0 0 375.226 2.136 10 0 GEAERN CN(Cc1ccc(Br)o1)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000030536905 531638245 /nfs/dbraw/zinc/63/82/45/531638245.db2.gz UQYGCVYZMCUCEZ-NSHDSACASA-N 0 0 393.237 2.131 10 0 GEAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)Cc3ccc(F)c(Cl)c3)CCO2)c1 ZINC000155099596 531656315 /nfs/dbraw/zinc/65/63/15/531656315.db2.gz DUWZUKRTZCVJRF-CQSZACIVSA-N 0 0 387.864 2.215 10 0 GEAERN CC(C)OC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000036227698 531658493 /nfs/dbraw/zinc/65/84/93/531658493.db2.gz ZYGDLLQLXFICSV-UHFFFAOYSA-N 0 0 395.308 2.251 10 0 GEAERN C[C@@H](C(=O)NCC(F)(F)F)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000155167094 531661623 /nfs/dbraw/zinc/66/16/23/531661623.db2.gz DFQUGNOUTKCFLV-STQMWFEESA-N 0 0 379.448 2.120 10 0 GEAERN Cn1cc([C@H]2[C@@H](C(=O)Nc3cncc(Br)c3)CCC(=O)N2C)cn1 ZINC000155878740 531701827 /nfs/dbraw/zinc/70/18/27/531701827.db2.gz ROGHOXLCXXNENS-ZFWWWQNUSA-N 0 0 392.257 2.126 10 0 GEAERN CN(CCC(=O)OC(C)(C)C)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000156217646 531723136 /nfs/dbraw/zinc/72/31/36/531723136.db2.gz XFPMAWNNAQXZFQ-UHFFFAOYSA-N 0 0 388.262 2.343 10 0 GEAERN C[C@H](NC(=O)NCCC(=O)N1CCOCC1)c1ccccc1Br ZINC000047913857 531723617 /nfs/dbraw/zinc/72/36/17/531723617.db2.gz WGKGEKLMMWIFRC-LBPRGKRZSA-N 0 0 384.274 2.058 10 0 GEAERN Cn1cc(NC(=O)N2CCO[C@H](c3nccs3)C2)cc(Br)c1=O ZINC000156099679 531714906 /nfs/dbraw/zinc/71/49/06/531714906.db2.gz PRLCADHYPDKGAQ-NSHDSACASA-N 0 0 399.270 2.210 10 0 GEAERN C[C@H](NC(=O)Nc1cc(Br)c(=O)n(C)c1)C(=O)N1CCCC[C@@H]1C ZINC000156205205 531721120 /nfs/dbraw/zinc/72/11/20/531721120.db2.gz ZIAQCKHHUCERFG-QWRGUYRKSA-N 0 0 399.289 2.059 10 0 GEAERN CCn1cnnc1C1CCN([C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000157279085 531737867 /nfs/dbraw/zinc/73/78/67/531737867.db2.gz HEXYYKYRCJQKOC-HNNXBMFYSA-N 0 0 392.301 2.467 10 0 GEAERN C[C@@H](NC(=O)NCc1ccc(S(N)(=O)=O)s1)c1ccc(F)c(F)c1 ZINC000054391592 531777781 /nfs/dbraw/zinc/77/77/81/531777781.db2.gz XKJWTVQXNGECPO-MRVPVSSYSA-N 0 0 375.422 2.234 10 0 GEAERN C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c2ccccc21 ZINC000162318452 531842005 /nfs/dbraw/zinc/84/20/05/531842005.db2.gz ZJZFICPWBAHEKV-PXAZEXFGSA-N 0 0 380.491 2.251 10 0 GEAERN C[C@@H](NC(=O)C(=O)Nc1cnc(N(C)C)nc1)c1cccc(Br)c1 ZINC000163329454 531856936 /nfs/dbraw/zinc/85/69/36/531856936.db2.gz ILXIOQUGLSQWKO-SNVBAGLBSA-N 0 0 392.257 2.121 10 0 GEAERN C[C@](NC[C@H](O)COc1cccc(Br)c1)(C(N)=O)c1ccccc1 ZINC000170644526 531883008 /nfs/dbraw/zinc/88/30/08/531883008.db2.gz DVLDWNDJASZGQF-MAUKXSAKSA-N 0 0 393.281 2.179 10 0 GEAERN COC(=O)[C@@H]1C[C@H]1C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000170756753 531892329 /nfs/dbraw/zinc/89/23/29/531892329.db2.gz QLNWNWVXBJKOIB-CHWSQXEVSA-N 0 0 378.226 2.442 10 0 GEAERN COc1ccc(Cl)cc1CNC(=O)CN1CCO[C@@H](c2nccs2)C1 ZINC000171663275 531909620 /nfs/dbraw/zinc/90/96/20/531909620.db2.gz KUGPCOKVOQKXRH-OAHLLOKOSA-N 0 0 381.885 2.495 10 0 GEAERN CCOCCN1CCN(C(=O)c2cc3c(c(Br)c2)OCO3)C[C@@H]1C ZINC000172220948 531939607 /nfs/dbraw/zinc/93/96/07/531939607.db2.gz XODLCIHMBZOFCV-LBPRGKRZSA-N 0 0 399.285 2.361 10 0 GEAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)NCCc1ccc(Br)cc1 ZINC000172213575 531939023 /nfs/dbraw/zinc/93/90/23/531939023.db2.gz TWPUJYNEPMXXHK-MRXNPFEDSA-N 0 0 390.281 2.387 10 0 GEAERN CCCOc1c(Br)cc([C@@H]2NC(=O)[C@H]3COCCN32)cc1OC ZINC000093885224 531928056 /nfs/dbraw/zinc/92/80/56/531928056.db2.gz PZUTUJIIBHIZLZ-IUODEOHRSA-N 0 0 385.258 2.076 10 0 GEAERN Cc1ncc(CN2CCN(C(=O)Nc3nc4c(s3)COCC4)CC2)s1 ZINC000172255025 531943403 /nfs/dbraw/zinc/94/34/03/531943403.db2.gz SZUHOSMCNXRUFT-UHFFFAOYSA-N 0 0 379.511 2.330 10 0 GEAERN C[C@H](NC(=O)Cn1ncn2nccc2c1=O)c1c(Cl)ccc(F)c1Cl ZINC000112237916 531945701 /nfs/dbraw/zinc/94/57/01/531945701.db2.gz DVCZJJLSARMKSV-QMMMGPOBSA-N 0 0 384.198 2.214 10 0 GEAERN COCCN1CCN(C(=O)NCc2ccc(F)cc2Br)C[C@H]1C ZINC000172329863 531946035 /nfs/dbraw/zinc/94/60/35/531946035.db2.gz FWJUWBPGGAZWQT-GFCCVEGCSA-N 0 0 388.281 2.450 10 0 GEAERN COCCN1CCN(C(=O)NCc2sccc2Br)C[C@@H]1C ZINC000172331858 531946417 /nfs/dbraw/zinc/94/64/17/531946417.db2.gz XMUZNJXNKDDMFR-NSHDSACASA-N 0 0 376.320 2.373 10 0 GEAERN CSc1ncc(Cl)c(C(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)n1 ZINC000172348977 531948420 /nfs/dbraw/zinc/94/84/20/531948420.db2.gz CNDXNVFNNKYJDE-LLVKDONJSA-N 0 0 378.889 2.383 10 0 GEAERN O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC[C@@H](n2cncn2)C1 ZINC000114209418 531955832 /nfs/dbraw/zinc/95/58/32/531955832.db2.gz GHOHHEVRRFAEEK-LLVKDONJSA-N 0 0 376.360 2.203 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nnc(-c2ccsc2)s1 ZINC000120158155 531974844 /nfs/dbraw/zinc/97/48/44/531974844.db2.gz GOEANMMTAOSIBB-LLVKDONJSA-N 0 0 386.524 2.409 10 0 GEAERN COc1ccc(Br)c(C(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)c1 ZINC000173088953 531986569 /nfs/dbraw/zinc/98/65/69/531986569.db2.gz DHSYYYBOWFLEAT-CYBMUJFWSA-N 0 0 381.230 2.098 10 0 GEAERN C[C@H](NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)c1ccc(Cl)s1 ZINC000173419225 532008697 /nfs/dbraw/zinc/00/86/97/532008697.db2.gz QDLHHNHTTBJPLD-VIFPVBQESA-N 0 0 386.882 2.152 10 0 GEAERN C[C@H](COCc1ccccc1)NC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000173431785 532011801 /nfs/dbraw/zinc/01/18/01/532011801.db2.gz RJKOKOSRQVSLJH-GFCCVEGCSA-N 0 0 382.869 2.323 10 0 GEAERN COc1cc(S(=O)(=O)NC[C@H]2CCCC[C@H]2O)ccc1Br ZINC000121294507 532022064 /nfs/dbraw/zinc/02/20/64/532022064.db2.gz HEDSPVSRHONONF-ZWNOBZJWSA-N 0 0 378.288 2.287 10 0 GEAERN CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2O)cc1Cl ZINC000121357061 532025586 /nfs/dbraw/zinc/02/55/86/532025586.db2.gz WVPQKNKYTOKFFS-HZMBPMFUSA-N 0 0 378.853 2.267 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)Oc1ccc(Cl)cc1 ZINC000173665643 532026468 /nfs/dbraw/zinc/02/64/68/532026468.db2.gz AZIQROIYZHWZSF-CZUORRHYSA-N 0 0 388.917 2.428 10 0 GEAERN C[C@@H](Oc1cccc(Br)c1)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000173675668 532026708 /nfs/dbraw/zinc/02/67/08/532026708.db2.gz FVDORKMHISZILH-CJNGLKHVSA-N 0 0 394.269 2.341 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)Cc1cc(Br)ccc1OC)CC2 ZINC000173767820 532031846 /nfs/dbraw/zinc/03/18/46/532031846.db2.gz IJHHEZNZXPKCAP-ZDUSSCGKSA-N 0 0 393.285 2.285 10 0 GEAERN O=C(NCc1cc(F)cc(Br)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000173781922 532032038 /nfs/dbraw/zinc/03/20/38/532032038.db2.gz GWNKUGVBDYUKTR-HNNXBMFYSA-N 0 0 386.265 2.204 10 0 GEAERN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000121493151 532032414 /nfs/dbraw/zinc/03/24/14/532032414.db2.gz PAQRPQLQBKOYPC-WCQYABFASA-N 0 0 388.281 2.149 10 0 GEAERN C[C@@H](Cc1cccc(Br)c1)NC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173793399 532034271 /nfs/dbraw/zinc/03/42/71/532034271.db2.gz XDSURGFLXSITNN-YOEHRIQHSA-N 0 0 396.329 2.496 10 0 GEAERN C[C@@H](Cc1ccc(Br)cc1)NC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173788568 532033198 /nfs/dbraw/zinc/03/31/98/532033198.db2.gz UOSKOERVXOUQPN-WMLDXEAASA-N 0 0 396.329 2.496 10 0 GEAERN O=S(=O)(Cc1c(Cl)cccc1Cl)N1CC[C@H](N2CCOCC2)C1 ZINC000174001582 532045599 /nfs/dbraw/zinc/04/55/99/532045599.db2.gz BOQMJZARZDVWFH-LBPRGKRZSA-N 0 0 379.309 2.230 10 0 GEAERN Cc1nnc([C@H]2CN(Cc3nnc(-c4ccc(Br)o4)o3)CCO2)[nH]1 ZINC000174096775 532049037 /nfs/dbraw/zinc/04/90/37/532049037.db2.gz NVTXILSJELIVBO-SNVBAGLBSA-N 0 0 395.217 2.092 10 0 GEAERN Brc1ccc2ncc(CN3CCO[C@H](Cn4cccn4)C3)n2c1 ZINC000122162732 532059685 /nfs/dbraw/zinc/05/96/85/532059685.db2.gz LQPJZNMUZHXYTP-HNNXBMFYSA-N 0 0 376.258 2.194 10 0 GEAERN CCc1nnc([C@H]2CN(S(=O)(=O)c3cc(C)c(F)cc3Cl)CCO2)[nH]1 ZINC000122180230 532060769 /nfs/dbraw/zinc/06/07/69/532060769.db2.gz GFFTUXBGRNKXHY-GFCCVEGCSA-N 0 0 388.852 2.230 10 0 GEAERN CC[C@@H]1CN(C(=O)COc2ccccc2Br)CCN1CCOC ZINC000122260721 532062548 /nfs/dbraw/zinc/06/25/48/532062548.db2.gz FMTFDSZQMXQPDQ-CQSZACIVSA-N 0 0 385.302 2.397 10 0 GEAERN C[C@@H](O)CN1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C[C@@H]1C ZINC000122420933 532069645 /nfs/dbraw/zinc/06/96/45/532069645.db2.gz VUQDPEBEHSNGAA-NWDGAFQWSA-N 0 0 381.325 2.210 10 0 GEAERN Cn1nccc1C1CCN(C(=O)c2cncc(I)c2)CC1 ZINC000122791214 532082267 /nfs/dbraw/zinc/08/22/67/532082267.db2.gz GMUXLDURCSILCR-UHFFFAOYSA-N 0 0 396.232 2.440 10 0 GEAERN COCCCS(=O)(=O)NCCN1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000175266422 532096193 /nfs/dbraw/zinc/09/61/93/532096193.db2.gz JGUKPXGLSKYKTQ-OAHLLOKOSA-N 0 0 389.587 2.402 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)NCc3ccccc3Br)CCO2)[nH]1 ZINC000175462777 532103642 /nfs/dbraw/zinc/10/36/42/532103642.db2.gz SYGYCLMOHUATKS-ZDUSSCGKSA-N 0 0 380.246 2.159 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cc(Br)ccc1C ZINC000176013674 532123009 /nfs/dbraw/zinc/12/30/09/532123009.db2.gz BUEIEUXDCXFBFH-GFCCVEGCSA-N 0 0 392.257 2.247 10 0 GEAERN COC(=O)C[C@@H]1CN(C(=O)N[C@@H](C)c2cccc(Br)c2)CCO1 ZINC000175753759 532112705 /nfs/dbraw/zinc/11/27/05/532112705.db2.gz BCTGTSWBVZXASF-SMDDNHRTSA-N 0 0 385.258 2.484 10 0 GEAERN C[C@H](Cc1ccccc1Br)NC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000124067252 532113576 /nfs/dbraw/zinc/11/35/76/532113576.db2.gz BTNKQTHQHHPOBL-ZBFHGGJFSA-N 0 0 396.329 2.496 10 0 GEAERN CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc(F)c(I)c1 ZINC000125210345 532133683 /nfs/dbraw/zinc/13/36/83/532133683.db2.gz AJASHTGHTHDMLX-GFCCVEGCSA-N 0 0 390.196 2.123 10 0 GEAERN C[C@@H]1COC[C@H](C)N1C(=O)c1ccc2ncc(I)n2c1 ZINC000176850497 532152440 /nfs/dbraw/zinc/15/24/40/532152440.db2.gz UUECJPJNTCRVNF-AOOOYVTPSA-N 0 0 385.205 2.188 10 0 GEAERN CCn1ccnc1CS(=O)(=O)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000176908329 532155120 /nfs/dbraw/zinc/15/51/20/532155120.db2.gz ZSZVGLPCXNDAMK-UHFFFAOYSA-N 0 0 375.372 2.475 10 0 GEAERN Cc1ccc([C@H](CNC(=O)c2cc(N)nc(Cl)c2)N2CCOCC2)s1 ZINC000176567788 532141684 /nfs/dbraw/zinc/14/16/84/532141684.db2.gz WOBXVVKHNSIJBG-ZDUSSCGKSA-N 0 0 380.901 2.490 10 0 GEAERN Cc1ccc(NC(=O)CN2C[C@@H](C)[C@H](N3CCOCC3)C2)c(Br)c1 ZINC000177238248 532165204 /nfs/dbraw/zinc/16/52/04/532165204.db2.gz ZSAUYNPAUYLKEK-RHSMWYFYSA-N 0 0 396.329 2.349 10 0 GEAERN Cc1cc(Br)ccc1NC(=O)CN1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177258029 532166968 /nfs/dbraw/zinc/16/69/68/532166968.db2.gz AHTHBWSTHNVVFG-WMLDXEAASA-N 0 0 396.329 2.349 10 0 GEAERN C[C@@H]1CN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C[C@@H]1N1CCOCC1 ZINC000176995904 532157508 /nfs/dbraw/zinc/15/75/08/532157508.db2.gz ZHCIUBOZIOEHSN-WBMJQRKESA-N 0 0 393.336 2.476 10 0 GEAERN Cc1nc(CN2CCCN(S(=O)(=O)c3cc(C)ccc3Cl)CC2)no1 ZINC000127886397 532158126 /nfs/dbraw/zinc/15/81/26/532158126.db2.gz MWARLLQFHJJLEM-UHFFFAOYSA-N 0 0 384.889 2.236 10 0 GEAERN O=C(c1c[nH]c(=O)c(Br)c1)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000177220024 532164235 /nfs/dbraw/zinc/16/42/35/532164235.db2.gz ATBCCRSQESJPKY-YPMHNXCESA-N 0 0 381.226 2.459 10 0 GEAERN Cc1ccc(I)c(C(=O)N[C@@H]2CCCn3ncnc32)c1 ZINC000177606566 532176356 /nfs/dbraw/zinc/17/63/56/532176356.db2.gz TURBMDSERYCBPU-GFCCVEGCSA-N 0 0 382.205 2.456 10 0 GEAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000131882272 532205411 /nfs/dbraw/zinc/20/54/11/532205411.db2.gz MTOBBEDGAFTIAY-GXFFZTMASA-N 0 0 377.242 2.157 10 0 GEAERN O=C(C[C@@H]1CSCCS1)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000178662041 532209219 /nfs/dbraw/zinc/20/92/19/532209219.db2.gz SOVBOSYQSMGWNP-CQSZACIVSA-N 0 0 382.555 2.220 10 0 GEAERN CNC(=O)[C@H](NC(=O)c1ccc(I)c(Cl)c1)C(C)C ZINC000178717403 532210956 /nfs/dbraw/zinc/21/09/56/532210956.db2.gz OSFLPIWZJBIMCV-LLVKDONJSA-N 0 0 394.640 2.445 10 0 GEAERN Cn1cc(CN2CCCN(S(=O)(=O)c3c(F)cccc3Cl)CC2)cn1 ZINC000132346552 532214103 /nfs/dbraw/zinc/21/41/03/532214103.db2.gz ICTYXZCLXWTTSI-UHFFFAOYSA-N 0 0 386.880 2.109 10 0 GEAERN C[C@H](NC(=O)C(=O)Nc1ccc(CCS(C)(=O)=O)cc1)c1cccs1 ZINC000178922547 532217585 /nfs/dbraw/zinc/21/75/85/532217585.db2.gz OEPDKTFKHACIQV-LBPRGKRZSA-N 0 0 380.491 2.151 10 0 GEAERN CNC(=O)[C@H](NC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1)C(C)C ZINC000178417977 532201184 /nfs/dbraw/zinc/20/11/84/532201184.db2.gz PQRXPCAIGKOPRA-UKRRQHHQSA-N 0 0 397.317 2.098 10 0 GEAERN C[C@@H](NS(=O)(=O)c1c[nH]c2nccc(Cl)c12)c1nnc2n1CCCC2 ZINC000179384423 532229540 /nfs/dbraw/zinc/22/95/40/532229540.db2.gz FTPGHMAHGRSQPK-SECBINFHSA-N 0 0 380.861 2.184 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(Br)cc1C)CC2 ZINC000133337114 532232430 /nfs/dbraw/zinc/23/24/30/532232430.db2.gz MJFMNGGKFGVDAF-LBPRGKRZSA-N 0 0 399.314 2.205 10 0 GEAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl)C(C)C ZINC000179076932 532221751 /nfs/dbraw/zinc/22/17/51/532221751.db2.gz ICLJCSKBCYWUCT-LLVKDONJSA-N 0 0 379.766 2.184 10 0 GEAERN CS(=O)(=O)CCCC(=O)N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000179952249 532251928 /nfs/dbraw/zinc/25/19/28/532251928.db2.gz NCSATUYORGBSEY-KBPBESRZSA-N 0 0 379.400 2.165 10 0 GEAERN C[NH+](C)CCNC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000179568820 532236165 /nfs/dbraw/zinc/23/61/65/532236165.db2.gz GQTXPHNBCWKLFT-UHFFFAOYSA-N 0 0 388.295 2.229 10 0 GEAERN COCCN(C(=O)N[C@H](C)c1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 ZINC000179570789 532236852 /nfs/dbraw/zinc/23/68/52/532236852.db2.gz ZOBQOWOTYQNINP-MNOVXSKESA-N 0 0 380.919 2.308 10 0 GEAERN Cc1nc(S(=O)(=O)N2CC[C@@H](c3cnn(C)c3)C2)sc1Br ZINC000180077254 532256045 /nfs/dbraw/zinc/25/60/45/532256045.db2.gz QVIYAKJMMSAYAF-SECBINFHSA-N 0 0 391.316 2.126 10 0 GEAERN C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1N1CCOCC1 ZINC000180249454 532262903 /nfs/dbraw/zinc/26/29/03/532262903.db2.gz IPTVCIFWYVWFTE-ABAIWWIYSA-N 0 0 386.279 2.111 10 0 GEAERN O=C(c1cccnc1Br)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000135388922 532272414 /nfs/dbraw/zinc/27/24/14/532272414.db2.gz ZYFBEJLEXKDGOT-INIZCTEOSA-N 0 0 390.281 2.336 10 0 GEAERN CC(C)[C@H](NC(=O)NCCc1cc(Cl)ccc1Br)C(N)=O ZINC000135495265 532274544 /nfs/dbraw/zinc/27/45/44/532274544.db2.gz JQRZGGXMDGIMBA-LBPRGKRZSA-N 0 0 376.682 2.454 10 0 GEAERN Cc1ccc2c(c1)[C@H](NC(=O)NCc1ccc(S(N)(=O)=O)s1)[C@@H](C)C2 ZINC000180825532 532282991 /nfs/dbraw/zinc/28/29/91/532282991.db2.gz LSNATIMBUGARTG-MEDUHNTESA-N 0 0 379.507 2.437 10 0 GEAERN COC(=O)[C@H]1C[C@@H]1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000136850427 532287446 /nfs/dbraw/zinc/28/74/46/532287446.db2.gz YXCKYHHPVKYHPH-HOTGVXAUSA-N 0 0 395.297 2.339 10 0 GEAERN Cc1cc(S(=O)(=O)N2CCC[C@@H](Cn3cncn3)C2)ccc1Br ZINC000180980182 532287643 /nfs/dbraw/zinc/28/76/43/532287643.db2.gz DLAJEMARAFNPED-ZDUSSCGKSA-N 0 0 399.314 2.450 10 0 GEAERN CCC[C@H](CNC(=O)CN1C[C@H](O)C[C@@H]1CO)c1ccc(Cl)cc1Cl ZINC000185190435 532337146 /nfs/dbraw/zinc/33/71/46/532337146.db2.gz CMPUBZOZPBQYBM-BPLDGKMQSA-N 0 0 389.323 2.421 10 0 GEAERN COCC(=O)NC1CN(C(=O)c2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000185280226 532337449 /nfs/dbraw/zinc/33/74/49/532337449.db2.gz NERBJCPGOHBFPN-UHFFFAOYSA-N 0 0 395.175 2.055 10 0 GEAERN COCC(=O)NC1CN(C(=O)CCCOc2cccc(Cl)c2Cl)C1 ZINC000185301502 532337498 /nfs/dbraw/zinc/33/74/98/532337498.db2.gz CRVYAKNOWAFRDI-UHFFFAOYSA-N 0 0 375.252 2.126 10 0 GEAERN COc1cc(Br)cc(S(=O)(=O)NC[C@H]2CCCC[C@H]2O)c1 ZINC000185838923 532338822 /nfs/dbraw/zinc/33/88/22/532338822.db2.gz VWDIQFJQRKJXKP-QMTHXVAHSA-N 0 0 378.288 2.287 10 0 GEAERN Cc1cc(NC(=O)C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cnc1Cl ZINC000186285593 532340451 /nfs/dbraw/zinc/34/04/51/532340451.db2.gz PTQBIRURBOAKLS-JSGCOSHPSA-N 0 0 379.869 2.278 10 0 GEAERN CCCOC[C@@H](Cc1cccc(Br)c1)NC(=O)[C@@H]1CNC(=O)C1 ZINC000186296744 532340498 /nfs/dbraw/zinc/34/04/98/532340498.db2.gz QTRCDQNWXBPXCX-DZGCQCFKSA-N 0 0 383.286 2.039 10 0 GEAERN CCCOC[C@H](Cc1cccc(Br)c1)NC(=O)[C@H]1CNC(=O)C1 ZINC000186296727 532340509 /nfs/dbraw/zinc/34/05/09/532340509.db2.gz QTRCDQNWXBPXCX-HIFRSBDPSA-N 0 0 383.286 2.039 10 0 GEAERN Cc1cc(Br)c2c(c1)CN(C(=O)NC[C@H]1CN(C)CCO1)CC2 ZINC000186566607 532341245 /nfs/dbraw/zinc/34/12/45/532341245.db2.gz PHBTZKANPOJRTH-AWEZNQCLSA-N 0 0 382.302 2.156 10 0 GEAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2cc(C)c(F)cc2Cl)n1 ZINC000183748391 532328736 /nfs/dbraw/zinc/32/87/36/532328736.db2.gz GJLWCWSWDZDATF-GFCCVEGCSA-N 0 0 375.809 2.241 10 0 GEAERN O=S(=O)(c1ccc(Br)cc1F)N1CCC[C@@H](n2cncn2)C1 ZINC000184647291 532334032 /nfs/dbraw/zinc/33/40/32/532334032.db2.gz NPPOQLPGJUTVJT-LLVKDONJSA-N 0 0 389.250 2.206 10 0 GEAERN COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000184642213 532334168 /nfs/dbraw/zinc/33/41/68/532334168.db2.gz HGQMBNSQCGGFRS-GWCFXTLKSA-N 0 0 385.258 2.388 10 0 GEAERN CC[C@@H](O)CN1CCN(C(=O)N[C@@H](C)Cc2cccc(Br)c2)CC1 ZINC000184962407 532336110 /nfs/dbraw/zinc/33/61/10/532336110.db2.gz SZZLOCCJRWPGNI-WMLDXEAASA-N 0 0 398.345 2.478 10 0 GEAERN Cc1cc(S(=O)(=O)N2CCN([C@@H](C)c3nc(C)no3)CC2)sc1Cl ZINC000187899047 532346049 /nfs/dbraw/zinc/34/60/49/532346049.db2.gz ULZYFZGKJSHPDL-JTQLQIEISA-N 0 0 390.918 2.469 10 0 GEAERN C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C[C@@H]1N1CCOCC1 ZINC000188089284 532346596 /nfs/dbraw/zinc/34/65/96/532346596.db2.gz WYCZSMOTXZIQSS-PWSUYJOCSA-N 0 0 397.299 2.474 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc(Br)c(C)nc1OC)CC2 ZINC000188163886 532347004 /nfs/dbraw/zinc/34/70/04/532347004.db2.gz MMVMWVSDMFASCF-SNVBAGLBSA-N 0 0 394.273 2.060 10 0 GEAERN COC(=O)[C@@]1(C)CCCN1S(=O)(=O)c1ccc(Br)cc1F ZINC000188196962 532347250 /nfs/dbraw/zinc/34/72/50/532347250.db2.gz UVSWUVCNMXXNCI-CYBMUJFWSA-N 0 0 380.235 2.304 10 0 GEAERN Cc1noc([C@H]2COCCN2Cc2cc(Br)c3c(c2)OCCO3)n1 ZINC000188480310 532348425 /nfs/dbraw/zinc/34/84/25/532348425.db2.gz QKBJFNJNKNKXHV-CYBMUJFWSA-N 0 0 396.241 2.485 10 0 GEAERN Cc1noc([C@@H](C)N2CCN(C(=O)Nc3cccc(Br)n3)CC2)n1 ZINC000188603731 532348776 /nfs/dbraw/zinc/34/87/76/532348776.db2.gz OSRTUHINQBHGRA-SNVBAGLBSA-N 0 0 395.261 2.446 10 0 GEAERN COc1ccc(CNC(=O)N2CC(NC(=O)C3CCC3)C2)cc1Br ZINC000188835168 532349654 /nfs/dbraw/zinc/34/96/54/532349654.db2.gz QHBHYSHQARNDKY-UHFFFAOYSA-N 0 0 396.285 2.268 10 0 GEAERN Cc1csc(C(=O)N2CCC[C@@H]2C(=O)N(C)C)c1I ZINC000188815216 532349676 /nfs/dbraw/zinc/34/96/76/532349676.db2.gz XFNCZDICGRDCAF-SECBINFHSA-N 0 0 392.262 2.354 10 0 GEAERN C[C@H]1C(=O)NCCCN1C(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000188840903 532349862 /nfs/dbraw/zinc/34/98/62/532349862.db2.gz SMOQNWBWIRQTBL-QWRGUYRKSA-N 0 0 384.263 2.083 10 0 GEAERN Cc1noc([C@@H](C)N2CCN(C(=O)c3nc(Br)cs3)CC2)n1 ZINC000188860251 532349866 /nfs/dbraw/zinc/34/98/66/532349866.db2.gz FULNNIYMIVCTAM-MRVPVSSYSA-N 0 0 386.275 2.116 10 0 GEAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc(I)cc1Cl ZINC000188949377 532350325 /nfs/dbraw/zinc/35/03/25/532350325.db2.gz BLBZPOSWJYGDBX-MRVPVSSYSA-N 0 0 392.624 2.295 10 0 GEAERN CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC000189190173 532351335 /nfs/dbraw/zinc/35/13/35/532351335.db2.gz AKNDHSQHAHQKNU-SMDDNHRTSA-N 0 0 389.836 2.462 10 0 GEAERN CCn1cc([C@@H]2CN(S(=O)(=O)c3cc(OC)ccc3Cl)CCO2)cn1 ZINC000189227671 532351356 /nfs/dbraw/zinc/35/13/56/532351356.db2.gz CSPHGMNNZHMCFH-HNNXBMFYSA-N 0 0 385.873 2.327 10 0 GEAERN Cc1ccc(-n2nc(Br)cc2C(=O)N2CCCNC(=O)[C@@H]2C)cc1 ZINC000189238042 532351586 /nfs/dbraw/zinc/35/15/86/532351586.db2.gz ULWPTBPCBFPDHJ-LBPRGKRZSA-N 0 0 391.269 2.294 10 0 GEAERN CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cc(Cl)c(C)cc2Cl)CC1 ZINC000189469120 532352388 /nfs/dbraw/zinc/35/23/88/532352388.db2.gz KVXYARLCIMZAPD-GFCCVEGCSA-N 0 0 388.295 2.155 10 0 GEAERN Cc1cnn(CCNS(=O)(=O)c2cc(Br)c(F)cc2C)c1 ZINC000189979531 532354419 /nfs/dbraw/zinc/35/44/19/532354419.db2.gz ZIDAALDTVYRSIU-UHFFFAOYSA-N 0 0 376.251 2.380 10 0 GEAERN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)o1 ZINC000190454895 532356096 /nfs/dbraw/zinc/35/60/96/532356096.db2.gz KCQBCBUNZROMFC-JTQLQIEISA-N 0 0 384.841 2.461 10 0 GEAERN O=C(Nc1cc(Cl)c(F)c(Cl)c1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000190556670 532356844 /nfs/dbraw/zinc/35/68/44/532356844.db2.gz PLEWUDKLLDLRPO-LLVKDONJSA-N 0 0 390.242 2.004 10 0 GEAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000190676607 532357461 /nfs/dbraw/zinc/35/74/61/532357461.db2.gz HFOQMYPVUMDMGZ-QMMMGPOBSA-N 0 0 377.750 2.034 10 0 GEAERN O=C(Nc1ccc(Br)cc1F)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000190743226 532357721 /nfs/dbraw/zinc/35/77/21/532357721.db2.gz KNQLGFRALPQGPV-GFCCVEGCSA-N 0 0 395.232 2.414 10 0 GEAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000191213889 532359947 /nfs/dbraw/zinc/35/99/47/532359947.db2.gz YTXCYYMTPVLRIF-UFBFGSQYSA-N 0 0 391.212 2.333 10 0 GEAERN CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@H]2CCCO[C@@H]2C)s1 ZINC000191265556 532360175 /nfs/dbraw/zinc/36/01/75/532360175.db2.gz UPKLJTZCRQLUGY-HIFRSBDPSA-N 0 0 388.555 2.252 10 0 GEAERN COC(=O)[C@@]1(C)CCCN1C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000187682363 532345176 /nfs/dbraw/zinc/34/51/76/532345176.db2.gz HJLYRNIBIQNOAW-QGZVFWFLSA-N 0 0 397.269 2.123 10 0 GEAERN CC(=O)NC1CN(C(=O)CSc2nccn2-c2cccc(Cl)c2C)C1 ZINC000191497980 532361116 /nfs/dbraw/zinc/36/11/16/532361116.db2.gz FHAJCQDHIFHAFT-UHFFFAOYSA-N 0 0 378.885 2.273 10 0 GEAERN O=C(CCOCC(F)(F)C(F)F)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000191729453 532364256 /nfs/dbraw/zinc/36/42/56/532364256.db2.gz LCOFDCDICBGLSX-LLVKDONJSA-N 0 0 383.363 2.328 10 0 GEAERN CCn1cc([C@H]2CN(C(=O)c3ccc(OC)c(Br)n3)CCO2)cn1 ZINC000191725230 532364909 /nfs/dbraw/zinc/36/49/09/532364909.db2.gz QNKFFCCEDNLJPG-CQSZACIVSA-N 0 0 395.257 2.283 10 0 GEAERN O=C(c1ncc(Br)cc1Br)N1C[C@@H](F)C[C@H]1CO ZINC000372501415 532394356 /nfs/dbraw/zinc/39/43/56/532394356.db2.gz FVCXZBUPRADBPW-YUMQZZPRSA-N 0 0 382.027 2.152 10 0 GEAERN C[C@H](NC(=O)[C@H]1CCCN1c1nccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000192995756 532415155 /nfs/dbraw/zinc/41/51/55/532415155.db2.gz MEEONDRJCRBQOV-SWLSCSKDSA-N 0 0 379.507 2.393 10 0 GEAERN Cc1noc([C@@H]2COCCN2C(=O)[C@@H]2Cc3cc(Br)ccc3O2)n1 ZINC000193641843 532427297 /nfs/dbraw/zinc/42/72/97/532427297.db2.gz UHRMSYIGDGICKI-JSGCOSHPSA-N 0 0 394.225 2.044 10 0 GEAERN C[C@@H](NC(=O)NCC(=O)NCC(F)(F)F)c1ccccc1Br ZINC000194271589 532445313 /nfs/dbraw/zinc/44/53/13/532445313.db2.gz KPYSBENZYHYOID-MRVPVSSYSA-N 0 0 382.180 2.488 10 0 GEAERN CCOC(=O)[C@H](NC(=O)CC(=O)NCC(F)(F)F)c1ccc(Cl)cc1 ZINC000194759806 532455912 /nfs/dbraw/zinc/45/59/12/532455912.db2.gz MPJDMXZQVKMSPD-CYBMUJFWSA-N 0 0 380.750 2.129 10 0 GEAERN O=C(N[C@@H]1CCCNC1=O)c1cc(Br)cc(Br)c1 ZINC000222883541 532485924 /nfs/dbraw/zinc/48/59/24/532485924.db2.gz ABJTWJRPFKLNJC-SNVBAGLBSA-N 0 0 376.048 2.220 10 0 GEAERN CC[S@](=O)[C@H]1CCC[C@H](NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)C1 ZINC000246552333 532540928 /nfs/dbraw/zinc/54/09/28/532540928.db2.gz GSMKADCHVGREBZ-BBXPGABMSA-N 0 0 389.583 2.381 10 0 GEAERN O=C([C@H]1CCc2n[nH]nc2C1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000375085713 532533722 /nfs/dbraw/zinc/53/37/22/532533722.db2.gz UMMXKSVJTUHCTR-BLLLJJGKSA-N 0 0 391.269 2.272 10 0 GEAERN CS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000248156806 532551059 /nfs/dbraw/zinc/55/10/59/532551059.db2.gz RLZVRGPHQPPZIH-UONOGXRCSA-N 0 0 378.416 2.090 10 0 GEAERN CC(=O)NC1CN(C(=O)c2scc(Br)c2Br)C1 ZINC000529130843 532594168 /nfs/dbraw/zinc/59/41/68/532594168.db2.gz PKLPGUJXXBEOQM-UHFFFAOYSA-N 0 0 382.077 2.234 10 0 GEAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(Cc2ccc(OC(F)F)c(Cl)c2)CCO1 ZINC000263474902 532625944 /nfs/dbraw/zinc/62/59/44/532625944.db2.gz FDQGTIVCLAOPEX-GFCCVEGCSA-N 0 0 378.803 2.159 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(Nc2ccc(I)cn2)C1 ZINC000263568520 532629318 /nfs/dbraw/zinc/62/93/18/532629318.db2.gz YNSHUKMBWGJXIB-UHFFFAOYSA-N 0 0 375.210 2.036 10 0 GEAERN COc1c(Cl)cc(Cl)cc1CN1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000263531461 532629707 /nfs/dbraw/zinc/62/97/07/532629707.db2.gz WSKLKCIVRJHMAI-ZDUSSCGKSA-N 0 0 377.268 2.219 10 0 GEAERN Cn1ncc(N2CCC(C(=O)N3CCCCCC3)CC2)c(Br)c1=O ZINC000301241534 532745495 /nfs/dbraw/zinc/74/54/95/532745495.db2.gz ODWYURJNVPNFHJ-UHFFFAOYSA-N 0 0 397.317 2.162 10 0 GEAERN C[C@@H](Nc1cnn(C)c(=O)c1Br)c1ccc(-n2cncn2)cc1 ZINC000301269710 532747280 /nfs/dbraw/zinc/74/72/80/532747280.db2.gz XOFOMWNRXHTSKT-SNVBAGLBSA-N 0 0 375.230 2.297 10 0 GEAERN Cc1cc(Br)cnc1NCCS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000301609196 532756783 /nfs/dbraw/zinc/75/67/83/532756783.db2.gz AVINPSQDXJUNOL-VXGBXAGGSA-N 0 0 392.319 2.003 10 0 GEAERN C[C@@H]1COC2(CCN(c3ccc(S(N)(=O)=O)c(C(F)(F)F)c3)CC2)O1 ZINC000301461467 532752459 /nfs/dbraw/zinc/75/24/59/532752459.db2.gz ZAUNJZXNZQZKQI-SNVBAGLBSA-N 0 0 380.388 2.085 10 0 GEAERN Cc1noc([C@@]2(O)CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)n1 ZINC000328612248 532794069 /nfs/dbraw/zinc/79/40/69/532794069.db2.gz ODNVEYOUKHXICC-CQSZACIVSA-N 0 0 392.264 2.108 10 0 GEAERN CN(C)c1ncnc2c1nc(Br)n2Cc1cccc(NC=O)c1 ZINC000005965256 212147934 /nfs/dbraw/zinc/14/79/34/212147934.db2.gz UBWFXCGBEINYPB-UHFFFAOYSA-N 0 0 375.230 2.271 10 0 GEAERN COc1ccc([C@H]2Oc3cc(OC)c(OC)c(O)c3C(=O)[C@@H]2OC)cc1O ZINC000001722158 212144051 /nfs/dbraw/zinc/14/40/51/212144051.db2.gz LVMHZZSYSNZUCT-MJGOQNOKSA-N 0 0 376.361 2.455 10 0 GEAERN COC(=O)[C@@H](CC(C)C)NC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000334162844 212107769 /nfs/dbraw/zinc/10/77/69/212107769.db2.gz ZXXQRCJJGXHPJI-MRXNPFEDSA-N 0 0 391.855 2.268 10 0 GEAERN CC1CCN(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000003060418 220601791 /nfs/dbraw/zinc/60/17/91/220601791.db2.gz KOGWKBXIWAUGPT-FUHWJXTLSA-N 0 0 385.574 2.370 10 0 GEAERN CN(C)c1ccc(C(=O)N2CC[C@H]3NC(=O)N(Cc4ccccc4)C(=O)[C@H]32)cc1 ZINC000003842086 220667116 /nfs/dbraw/zinc/66/71/16/220667116.db2.gz JSKSBXHRJMJXKR-MOPGFXCFSA-N 0 0 392.459 2.088 10 0 GEAERN O=C(CCN(CCc1ccccc1)C(=O)c1cnccn1)NCc1cccnc1 ZINC000004752886 220761718 /nfs/dbraw/zinc/76/17/18/220761718.db2.gz YQSVWWYVVZEYGR-UHFFFAOYSA-N 0 0 389.459 2.263 10 0 GEAERN CCc1nn(CC(=O)NCc2ccco2)c(=O)c2cc3c(cccc3OC)n21 ZINC000006749813 220957318 /nfs/dbraw/zinc/95/73/18/220957318.db2.gz HVHRUNGDXFIPCU-UHFFFAOYSA-N 0 0 380.404 2.130 10 0 GEAERN CSc1ccccc1N1C(=O)CN(C(=O)C2CCN(C(C)=O)CC2)C[C@H]1C ZINC000011870741 221133569 /nfs/dbraw/zinc/13/35/69/221133569.db2.gz BDGBRVHMZBPRRC-CQSZACIVSA-N 0 0 389.521 2.231 10 0 GEAERN Cc1nc(NC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)sc1C ZINC000012021489 221143388 /nfs/dbraw/zinc/14/33/88/221143388.db2.gz AVBNBYFAKDMHBS-VIFPVBQESA-N 0 0 379.463 2.325 10 0 GEAERN O[C@@H]1CN(Cc2nc(-c3ccc(F)cc3)cs2)CC[C@H]1N1CCOCC1 ZINC000012073256 221147320 /nfs/dbraw/zinc/14/73/20/221147320.db2.gz LBMRNNGIRXCTFI-QZTJIDSGSA-N 0 0 377.485 2.217 10 0 GEAERN Cc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NC1(c2ccccc2)CC1 ZINC000012203687 221168159 /nfs/dbraw/zinc/16/81/59/221168159.db2.gz AUYSVKHHBPPWNA-FQEVSTJZSA-N 0 0 377.488 2.491 10 0 GEAERN O=C(C[C@@H]1C(=O)NCCN1C1Cc2ccccc2C1)NCCC1=CCCCC1 ZINC000012576156 221208095 /nfs/dbraw/zinc/20/80/95/221208095.db2.gz BQHTWXOMDLDSMB-OAQYLSRUSA-N 0 0 381.520 2.351 10 0 GEAERN CC(C)c1nc(CNC(=O)C[C@H]2C(=O)NCCN2Cc2ccccc2)cs1 ZINC000012744157 221224080 /nfs/dbraw/zinc/22/40/80/221224080.db2.gz ZGYGMHILBMKOIU-KRWDZBQOSA-N 0 0 386.521 2.273 10 0 GEAERN CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCN4)CC2)cc1 ZINC000015823336 221346185 /nfs/dbraw/zinc/34/61/85/221346185.db2.gz SHXHVGPZAVJNKH-UHFFFAOYSA-N 0 0 385.489 2.368 10 0 GEAERN COC(=O)c1ccc(/C=c2\s/c(=C\C(=O)c3ccccc3C)n(C)c2=O)cc1 ZINC000016404399 221362216 /nfs/dbraw/zinc/36/22/16/221362216.db2.gz MZISROUBQGAQEN-YXZJEIOKSA-N 0 0 393.464 2.034 10 0 GEAERN C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@@H](O)c1ccc(OS(=O)(=O)[O-])cc1 ZINC000504300755 533661789 /nfs/dbraw/zinc/66/17/89/533661789.db2.gz NMAZAVFSVLQMGG-SCLBCKFNSA-N 0 0 381.450 2.218 10 0 GEAERN COc1cccc(C(=O)N2CCN=C2N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000065306418 136162971 /nfs/dbraw/zinc/16/29/71/136162971.db2.gz SNMWOFMNOLRBCC-UHFFFAOYSA-N 0 0 382.439 2.468 10 0 GEAERN Cc1cc(=O)n(CC(=O)NCc2ccc(F)cc2F)c(N2CCCCC2)n1 ZINC000065310906 136162973 /nfs/dbraw/zinc/16/29/73/136162973.db2.gz KEAFVXMUVKPEEN-UHFFFAOYSA-N 0 0 376.407 2.137 10 0 GEAERN O=C(/C=C\c1ccccc1Cl)N1CCN(c2ccc(-n3cncn3)nn2)CC1 ZINC000101322239 136189458 /nfs/dbraw/zinc/18/94/58/136189458.db2.gz CNCWNTCRSSVEJJ-YVMONPNESA-N 0 0 395.854 2.073 10 0 GEAERN CN(C)C(=O)c1ccc2c(c1)N(CC(=O)NCCC1=CCCCC1)C(=O)CO2 ZINC000035376960 221820649 /nfs/dbraw/zinc/82/06/49/221820649.db2.gz RFXAYKPMGMQLKF-UHFFFAOYSA-N 0 0 385.464 2.121 10 0 GEAERN C[C@H](NC(=O)c1nn(-c2ccccn2)c2c1CS(=O)(=O)CC2)c1ccccc1 ZINC000041070518 221936508 /nfs/dbraw/zinc/93/65/08/221936508.db2.gz QETKHSOEVCNKJF-AWEZNQCLSA-N 0 0 396.472 2.229 10 0 GEAERN CC(C)NC(=O)c1ccc2c(c1)nc(CN(C)C(=O)NC[C@@H]1CCCO1)n2C ZINC000065008612 222094590 /nfs/dbraw/zinc/09/45/90/222094590.db2.gz ORYSRLBPMBHDIY-HNNXBMFYSA-N 0 0 387.484 2.032 10 0 GEAERN C[C@@]1(C(=O)Nc2cccc(C(N)=O)c2N)CCCN1C(=O)OCc1ccccc1 ZINC000059045587 222055396 /nfs/dbraw/zinc/05/53/96/222055396.db2.gz OSKDRTVRZSBMEV-NRFANRHFSA-N 0 0 396.447 2.498 10 0 GEAERN O=C(N1CCC(c2cc3n(n2)CCCNC3=O)CC1)C1(c2ccccc2)CC1 ZINC000065225719 222112619 /nfs/dbraw/zinc/11/26/19/222112619.db2.gz KLGQXQCLVOHWKT-UHFFFAOYSA-N 0 0 378.476 2.454 10 0 GEAERN CC[C@@H](C(=O)NCCCOC)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064970983 222091049 /nfs/dbraw/zinc/09/10/49/222091049.db2.gz SEGYONGWZKIQDF-KRWDZBQOSA-N 0 0 397.479 2.303 10 0 GEAERN CCN1CCN(C(=O)CCC2CCN(c3cc(NC4CC4)ncn3)CC2)CC1 ZINC000065274146 222120662 /nfs/dbraw/zinc/12/06/62/222120662.db2.gz AMZWMDBENNSTQB-UHFFFAOYSA-N 0 0 386.544 2.212 10 0 GEAERN CCc1cnc(C)nc1N1CCC(n2nccc2NC(=O)[C@H]2CCOC2)CC1 ZINC000067935140 222168877 /nfs/dbraw/zinc/16/88/77/222168877.db2.gz PFQLNBCVKMPPOH-INIZCTEOSA-N 0 0 384.484 2.360 10 0 GEAERN CCN(CC)S(=O)(=O)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1 ZINC000095525490 222349431 /nfs/dbraw/zinc/34/94/31/222349431.db2.gz DTWPDZQKBJTFAR-QGZVFWFLSA-N 0 0 377.514 2.092 10 0 GEAERN O=C(OC[C@@H]1O[C@H](O)C(F)(F)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000109606171 222515079 /nfs/dbraw/zinc/51/50/79/222515079.db2.gz PRZDMMRKPZAYHW-DAYGRLMNSA-N 0 0 378.327 2.422 10 0 GEAERN O=S(=O)(c1c(Cl)nc2ccccn21)N1CC[C@H](Oc2cccnc2)C1 ZINC000132712692 222527243 /nfs/dbraw/zinc/52/72/43/222527243.db2.gz RITCMFYGWGXZLG-ZDUSSCGKSA-N 0 0 378.841 2.225 10 0 GEAERN O=C([O-])Cn1c2ccsc2c(=O)n(C2CC[NH+](Cc3ccccc3)CC2)c1=O ZINC000073661164 527641521 /nfs/dbraw/zinc/64/15/21/527641521.db2.gz XXLGVYYLGHRBIG-UHFFFAOYSA-N 0 0 399.472 2.146 10 0 GEAERN Cc1ccc(C(=O)NCCC(=O)N2CCCn3nc([C@@H](O)C4CC4)cc3C2)cc1 ZINC000223593693 570473533 /nfs/dbraw/zinc/47/35/33/570473533.db2.gz SYZBBLIAJAYORT-NRFANRHFSA-N 0 0 396.491 2.187 10 0 GEAERN Cc1ccc2[nH]c([C@H](NC(=O)C[C@@H]3C(=O)NCCN3C(C)C)C(C)C)nc2c1 ZINC000019641690 570536170 /nfs/dbraw/zinc/53/61/70/570536170.db2.gz BIXZSFOLKUYJHB-IEBWSBKVSA-N 0 0 385.512 2.284 10 0 GEAERN CCOC(=O)CNC(=O)Nc1cc2c(cc1Oc1ccccc1)n(C)c(=O)n2C ZINC000046009420 570650485 /nfs/dbraw/zinc/65/04/85/570650485.db2.gz KVRWKRNITKNTHE-UHFFFAOYSA-N 0 0 398.419 2.354 10 0 GEAERN COCCN1C(=O)C[C@@H](CNc2cc(C)nc(C3CC3)n2)[C@@H]1c1cnn(C)c1 ZINC000275317068 570690265 /nfs/dbraw/zinc/69/02/65/570690265.db2.gz OPSOQCJREUYTEV-HNAYVOBHSA-N 0 0 384.484 2.044 10 0 GEAERN O=C(NCc1ccc(OC(F)(F)F)cc1)[C@H]1CCCN(c2cn[nH]c(=O)c2)C1 ZINC000065313528 570795440 /nfs/dbraw/zinc/79/54/40/570795440.db2.gz GULMKJIKNSMKDY-ZDUSSCGKSA-N 0 0 396.369 2.201 10 0 GEAERN O=C(N[C@@H]1CC=CCC1)c1cnn2c1C[C@H](CNC(=O)c1cccnc1)CC2 ZINC000583622970 570801479 /nfs/dbraw/zinc/80/14/79/570801479.db2.gz OBXQTIRCIPEXSS-NVXWUHKLSA-N 0 0 379.464 2.109 10 0 GEAERN O=S(=O)(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)C1Cc2ccccc2C1 ZINC000583622879 570802410 /nfs/dbraw/zinc/80/24/10/570802410.db2.gz ACTWSMCRTQVURQ-WBVHZDCISA-N 0 0 389.477 2.254 10 0 GEAERN COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)cnc1Cl ZINC000041069710 642525649 /nfs/dbraw/zinc/52/56/49/642525649.db2.gz UPPUDKWYVVCHBT-VIFPVBQESA-N 0 0 397.678 2.214 10 0 GEAERN C[C@@H](NC(=O)C(=O)Nc1cccc(-n2cnnn2)c1)c1ccc(Cl)s1 ZINC000041758992 642532180 /nfs/dbraw/zinc/53/21/80/642532180.db2.gz RSHDDXFXVPXOHY-SECBINFHSA-N 0 0 376.829 2.193 10 0 GEAERN C[C@@H](NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1ccccc1Br ZINC000042162940 642544269 /nfs/dbraw/zinc/54/42/69/642544269.db2.gz SLMISSLOAQAGFY-SECBINFHSA-N 0 0 388.221 2.470 10 0 GEAERN CC(N[C@@H](C)c1ccccc1Br)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000054504188 642754657 /nfs/dbraw/zinc/75/46/57/642754657.db2.gz DJWLJEVSRDVVLU-VIFPVBQESA-N 0 0 380.242 2.424 10 0 GEAERN CS(=O)(=O)N1CCC(C(=O)Oc2ccc(F)cc2Br)CC1 ZINC000054800753 642759709 /nfs/dbraw/zinc/75/97/09/642759709.db2.gz XTOROSDKTQNHEU-UHFFFAOYSA-N 0 0 380.235 2.165 10 0 GEAERN Cc1nn(Cc2ccccc2Cl)c(Cl)c1[C@@H]1NC(=O)[C@H]2COCCN21 ZINC000093884842 643081436 /nfs/dbraw/zinc/08/14/36/643081436.db2.gz NTLUPYNNIKKLDI-CZUORRHYSA-N 0 0 381.263 2.376 10 0 GEAERN C[C@@H](NS(=O)(=O)Cc1ccc(Cl)nc1)c1ccc(S(C)(=O)=O)cc1 ZINC000101569680 643108071 /nfs/dbraw/zinc/10/80/71/643108071.db2.gz NARMIAAPFJAWDU-LLVKDONJSA-N 0 0 388.898 2.319 10 0 GEAERN CC(C)(C)OC[C@H](O)CN1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000101733176 643115414 /nfs/dbraw/zinc/11/54/14/643115414.db2.gz HXPMNIKIJANSER-MRXNPFEDSA-N 0 0 399.329 2.383 10 0 GEAERN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)S(=O)(=O)/C=C/c1ccccc1 ZINC000102934110 643148281 /nfs/dbraw/zinc/14/82/81/643148281.db2.gz SJVYMRICIGIDPB-GETOMWPZSA-N 0 0 380.491 2.328 10 0 GEAERN CCOc1ccc(Br)cc1CN(C(=O)[C@@H](C)NC(N)=O)C1CC1 ZINC000103447534 643166006 /nfs/dbraw/zinc/16/60/06/643166006.db2.gz VXOJRKOUXPQIAB-SNVBAGLBSA-N 0 0 384.274 2.396 10 0 GEAERN O=C(CN1CCCN(c2cccnn2)CC1)Nc1ccc(Br)cc1 ZINC000106071373 643219962 /nfs/dbraw/zinc/21/99/62/643219962.db2.gz HXKOOWISAQKVFP-UHFFFAOYSA-N 0 0 390.285 2.390 10 0 GEAERN O=C(CCN1CCO[C@H](Cn2cccn2)C1)Nc1ccccc1Br ZINC000106190215 643224707 /nfs/dbraw/zinc/22/47/07/643224707.db2.gz GECREJSIUIRKAV-AWEZNQCLSA-N 0 0 393.285 2.375 10 0 GEAERN Cc1cnn(C[C@@H]2CN(CC(=O)Nc3ccccc3Br)CCO2)c1 ZINC000106196633 643225619 /nfs/dbraw/zinc/22/56/19/643225619.db2.gz RXZRULGCKOZIGG-AWEZNQCLSA-N 0 0 393.285 2.294 10 0 GEAERN Cc1cnn(C[C@@H]2CN(CC(=O)N(C)Cc3ccc(Cl)s3)CCO2)c1 ZINC000106197251 643225697 /nfs/dbraw/zinc/22/56/97/643225697.db2.gz RGYBNRUEPBZDSJ-AWEZNQCLSA-N 0 0 382.917 2.266 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000106398061 643230271 /nfs/dbraw/zinc/23/02/71/643230271.db2.gz GRCHPLHKEKPDKL-INIZCTEOSA-N 0 0 381.314 2.396 10 0 GEAERN O=C(c1sccc1S(=O)(=O)C(F)F)N1CCO[C@H](c2nccs2)C1 ZINC000110878334 643322065 /nfs/dbraw/zinc/32/20/65/643322065.db2.gz AEHBLSKKGLIJNW-QMMMGPOBSA-N 0 0 394.446 2.415 10 0 GEAERN O=S(=O)(c1cnn(-c2ccccc2)c1)N1CCO[C@H](c2nccs2)C1 ZINC000111343326 643334858 /nfs/dbraw/zinc/33/48/58/643334858.db2.gz HABIYFCWRMHGBI-HNNXBMFYSA-N 0 0 376.463 2.091 10 0 GEAERN Cc1ncc(CN2CCN(S(=O)(=O)Cc3ccc(Cl)nc3)CC2)s1 ZINC000111346175 643335966 /nfs/dbraw/zinc/33/59/66/643335966.db2.gz AVMYSEVVPIBPGX-UHFFFAOYSA-N 0 0 386.930 2.148 10 0 GEAERN O=C(NCc1cc(F)ccc1Br)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111834785 643347574 /nfs/dbraw/zinc/34/75/74/643347574.db2.gz CPPRAALPQDNRTR-CQSZACIVSA-N 0 0 397.248 2.395 10 0 GEAERN Cc1cnn(C[C@@H]2CN(C(=O)Cc3ccc(Br)s3)CCO2)c1 ZINC000114343752 643414504 /nfs/dbraw/zinc/41/45/04/643414504.db2.gz CYSJRNWBYVHFJZ-LBPRGKRZSA-N 0 0 384.299 2.486 10 0 GEAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2cncc(Br)c2)CC1 ZINC000115390146 643437749 /nfs/dbraw/zinc/43/77/49/643437749.db2.gz YCCQSDLIBFJVIN-UHFFFAOYSA-N 0 0 392.301 2.152 10 0 GEAERN Cc1cnn(CCNC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)c1 ZINC000117818641 643500000 /nfs/dbraw/zinc/50/00/00/643500000.db2.gz XICUWDZKTOVERJ-CYBMUJFWSA-N 0 0 391.269 2.123 10 0 GEAERN COC(=O)[C@@H](O)C1CCN(C(=O)N[C@H](C)c2cccc(Br)c2)CC1 ZINC000120503620 643612893 /nfs/dbraw/zinc/61/28/93/643612893.db2.gz WPICTSNQXSZWIG-ABAIWWIYSA-N 0 0 399.285 2.466 10 0 GEAERN COC(=O)[C@@H]1CN(S(=O)(=O)c2cc(Br)sc2C)C[C@@H]1C ZINC000124977543 643696847 /nfs/dbraw/zinc/69/68/47/643696847.db2.gz XJOWFKZVRCGJSW-IONNQARKSA-N 0 0 382.301 2.249 10 0 GEAERN C[C@H]1CN([C@@H](CNC(=O)C(=O)Nc2ccsc2)c2cccs2)CCO1 ZINC000125839347 643713014 /nfs/dbraw/zinc/71/30/14/643713014.db2.gz LEVDMAKUJDHEOS-JSGCOSHPSA-N 0 0 379.507 2.326 10 0 GEAERN Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccsc2)N2CCOCC2)s1 ZINC000125837958 643713078 /nfs/dbraw/zinc/71/30/78/643713078.db2.gz YJDHSOLUXJZBTB-AWEZNQCLSA-N 0 0 379.507 2.246 10 0 GEAERN CCCc1csc(NC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)n1 ZINC000126692371 643742404 /nfs/dbraw/zinc/74/24/04/643742404.db2.gz KVBVUOHYRZKHMY-JTQLQIEISA-N 0 0 378.479 2.161 10 0 GEAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)NC[C@@H]2CCCS2)CC1 ZINC000127132240 643758736 /nfs/dbraw/zinc/75/87/36/643758736.db2.gz HHCTZWMGWJYBEJ-ZDUSSCGKSA-N 0 0 385.965 2.359 10 0 GEAERN Cc1cc(I)ccc1NC(=O)Cn1ccc([C@H](C)O)n1 ZINC000128932378 643814349 /nfs/dbraw/zinc/81/43/49/643814349.db2.gz TUCKKVCNBWCTGF-JTQLQIEISA-N 0 0 385.205 2.488 10 0 GEAERN O=C(OC[C@H]1CC(=O)N(C2CC2)C1)[C@H]1COc2ccc(Br)cc21 ZINC000133075358 643891649 /nfs/dbraw/zinc/89/16/49/643891649.db2.gz BQKROLAAWPABFI-HZMBPMFUSA-N 0 0 380.238 2.479 10 0 GEAERN C[C@H](NC(=O)c1ccnc2c(C(N)=O)cnn21)c1cccc(Br)c1 ZINC000154134935 644020128 /nfs/dbraw/zinc/02/01/28/644020128.db2.gz IHNBTDWFPKPJGE-VIFPVBQESA-N 0 0 388.225 2.082 10 0 GEAERN O=C(N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cc(Cl)ncc1Cl ZINC000156428344 644096264 /nfs/dbraw/zinc/09/62/64/644096264.db2.gz SYZGYNNAPMKJPB-JSGCOSHPSA-N 0 0 386.191 2.121 10 0 GEAERN O=C(Cc1c[nH]c2cccc(Br)c12)N1CC[C@@H](N2CCOCC2)C1 ZINC000156515936 644100294 /nfs/dbraw/zinc/10/02/94/644100294.db2.gz SPIJVNNOQAUHCB-CQSZACIVSA-N 0 0 392.297 2.406 10 0 GEAERN CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000156599840 644106052 /nfs/dbraw/zinc/10/60/52/644106052.db2.gz BJAGKCWXMSWGQN-DGCLKSJQSA-N 0 0 399.285 2.454 10 0 GEAERN CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000156599959 644106108 /nfs/dbraw/zinc/10/61/08/644106108.db2.gz BJAGKCWXMSWGQN-YPMHNXCESA-N 0 0 399.285 2.454 10 0 GEAERN COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2Cn2ccnc2)ccc1Cl ZINC000156848145 644121302 /nfs/dbraw/zinc/12/13/02/644121302.db2.gz ONUAEZKGCHTICR-LBPRGKRZSA-N 0 0 383.857 2.176 10 0 GEAERN COc1cc(NC(=O)C(=O)N[C@H](C)c2cccc(Br)c2)ncn1 ZINC000156910576 644123680 /nfs/dbraw/zinc/12/36/80/644123680.db2.gz MGUCZSFAKXMJJA-SECBINFHSA-N 0 0 379.214 2.064 10 0 GEAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000158515613 644147571 /nfs/dbraw/zinc/14/75/71/644147571.db2.gz DJCWWSYHEUNEJW-GXFFZTMASA-N 0 0 391.827 2.157 10 0 GEAERN COc1cc(C)c(Br)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1O ZINC000158533119 644148225 /nfs/dbraw/zinc/14/82/25/644148225.db2.gz IDKOHYJRRKLAHH-NEPJUHHUSA-N 0 0 378.288 2.348 10 0 GEAERN O=C(c1cc(Br)ccc1Br)N1CCO[C@@H](CO)C1 ZINC000158797190 644160352 /nfs/dbraw/zinc/16/03/52/644160352.db2.gz ZTAFDFXMSVYHSA-SECBINFHSA-N 0 0 379.048 2.045 10 0 GEAERN CCCC(=O)N[C@H]1CCCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000158844687 644162790 /nfs/dbraw/zinc/16/27/90/644162790.db2.gz FFWFPRUEMSSPAG-JTQLQIEISA-N 0 0 380.297 2.458 10 0 GEAERN Cc1ccc(I)c(C(=O)N2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000159335704 644187592 /nfs/dbraw/zinc/18/75/92/644187592.db2.gz MQONEHMFUXRWPB-CYBMUJFWSA-N 0 0 386.233 2.292 10 0 GEAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000162358930 644234699 /nfs/dbraw/zinc/23/46/99/644234699.db2.gz FVPNCFNDSGNIPG-ZANVPECISA-N 0 0 391.225 2.495 10 0 GEAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000166748393 644278043 /nfs/dbraw/zinc/27/80/43/644278043.db2.gz FMCJPDCNMNUOOJ-NSHDSACASA-N 0 0 377.750 2.034 10 0 GEAERN COC[C@H](C)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000171427082 644322002 /nfs/dbraw/zinc/32/20/02/644322002.db2.gz MOUTVZXWCBGEDB-NSHDSACASA-N 0 0 395.308 2.109 10 0 GEAERN C[C@H]1CN(C(=O)C(=O)Nc2ccc(I)cc2)CCS1 ZINC000171471654 644324548 /nfs/dbraw/zinc/32/45/48/644324548.db2.gz ZZUHRWWICAMTNI-VIFPVBQESA-N 0 0 390.246 2.194 10 0 GEAERN C[C@H]1CN(Cn2nc(N3CCOCC3)n(CC(F)(F)F)c2=S)CCS1 ZINC000171605314 644329766 /nfs/dbraw/zinc/32/97/66/644329766.db2.gz SGHUVTKSIUCGOL-NSHDSACASA-N 0 0 397.492 2.208 10 0 GEAERN Brc1cc2c(cc1CN1CC[C@@H](N3CCOCC3)C1)OCCO2 ZINC000172805808 644344848 /nfs/dbraw/zinc/34/48/48/644344848.db2.gz NUEOBAYESRZNED-CQSZACIVSA-N 0 0 383.286 2.127 10 0 GEAERN Cc1cc(NC(=O)CN2CC[C@H](N3CCOCC3)C2)ccc1Br ZINC000172806709 644344932 /nfs/dbraw/zinc/34/49/32/644344932.db2.gz WGHAHTNZFWOWFK-HNNXBMFYSA-N 0 0 382.302 2.103 10 0 GEAERN CCc1nnc([C@@H]2CN(C(=O)c3ccc(Br)c(F)c3)CCO2)[nH]1 ZINC000173094275 644351075 /nfs/dbraw/zinc/35/10/75/644351075.db2.gz KQNTZDAOIJPXQV-LBPRGKRZSA-N 0 0 383.221 2.482 10 0 GEAERN CCc1nnc([C@H]2CN(C(=O)c3cc(Br)cn3CC)CCO2)[nH]1 ZINC000173097149 644351920 /nfs/dbraw/zinc/35/19/20/644351920.db2.gz GFEWUHPWZGSXRM-GFCCVEGCSA-N 0 0 382.262 2.165 10 0 GEAERN C[C@@H](NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)c1ccc(F)cc1Cl ZINC000176653793 644402302 /nfs/dbraw/zinc/40/23/02/644402302.db2.gz CZOPCGVHEKBCDW-RFAUZJTJSA-N 0 0 383.832 2.386 10 0 GEAERN COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000177553828 644417270 /nfs/dbraw/zinc/41/72/70/644417270.db2.gz PHZFZWKTQAHKTQ-YPMHNXCESA-N 0 0 399.285 2.372 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cc(Cl)ccc1Cl)CC2 ZINC000177640240 644421464 /nfs/dbraw/zinc/42/14/64/644421464.db2.gz UWTRSTBDAWPRSN-JTQLQIEISA-N 0 0 382.251 2.217 10 0 GEAERN C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)c1cccc(Br)c1 ZINC000177651905 644422867 /nfs/dbraw/zinc/42/28/67/644422867.db2.gz WWHPXISBPFJTAU-PWSUYJOCSA-N 0 0 377.242 2.403 10 0 GEAERN CCn1ccnc1CS(=O)(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000178164903 644430749 /nfs/dbraw/zinc/43/07/49/644430749.db2.gz QWGHEQMICOGBBX-UHFFFAOYSA-N 0 0 378.422 2.014 10 0 GEAERN CC(=O)c1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2CO)ccc1Br ZINC000180452661 644503997 /nfs/dbraw/zinc/50/39/97/644503997.db2.gz DQLNGAMSHMDKNW-IAQYHMDHSA-N 0 0 390.299 2.481 10 0 GEAERN COc1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000181725399 644944926 /nfs/dbraw/zinc/94/49/26/644944926.db2.gz TVMSWLFMDFGFRD-LLVKDONJSA-N 0 0 384.889 2.357 10 0 GEAERN CN1CCO[C@@H](CNS(=O)(=O)c2ccc3cc(Br)ccc3c2)C1 ZINC000184275476 645015409 /nfs/dbraw/zinc/01/54/09/645015409.db2.gz GWHWHESINYCTHB-HNNXBMFYSA-N 0 0 399.310 2.211 10 0 GEAERN C[C@H](NC(=O)C(=O)Nc1cncnc1N(C)C)c1ccccc1Br ZINC000184427396 645017836 /nfs/dbraw/zinc/01/78/36/645017836.db2.gz PDNIUJGOCZHYPF-JTQLQIEISA-N 0 0 392.257 2.121 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(Br)cc1F ZINC000185098622 645035004 /nfs/dbraw/zinc/03/50/04/645035004.db2.gz OKHDNPSWFRMEIR-NSHDSACASA-N 0 0 389.250 2.302 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(Br)cc1F ZINC000185098637 645035171 /nfs/dbraw/zinc/03/51/71/645035171.db2.gz OKHDNPSWFRMEIR-LLVKDONJSA-N 0 0 389.250 2.302 10 0 GEAERN C[C@H](CCS(C)(=O)=O)OC(=O)[C@H]1COc2ccc(Br)cc21 ZINC000185794182 645053724 /nfs/dbraw/zinc/05/37/24/645053724.db2.gz CDFDQMPWHYEYQU-SKDRFNHKSA-N 0 0 377.256 2.292 10 0 GEAERN Cc1cc(Br)c2c(c1)CN(C(=O)N[C@@H]1CCc3ncnn3C1)CC2 ZINC000187189151 645084827 /nfs/dbraw/zinc/08/48/27/645084827.db2.gz TUQSTDZMBNNPFB-CYBMUJFWSA-N 0 0 390.285 2.432 10 0 GEAERN CC(C)C(=O)CNS(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC000192649640 645217812 /nfs/dbraw/zinc/21/78/12/645217812.db2.gz BLGWYMVGMQMMOT-UHFFFAOYSA-N 0 0 394.678 2.254 10 0 GEAERN CN(Cc1ccccc1Br)C(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000193061167 645236375 /nfs/dbraw/zinc/23/63/75/645236375.db2.gz AUHZDKRHZXEAMB-KBPBESRZSA-N 0 0 391.265 2.359 10 0 GEAERN Cc1nc(NC(=O)C(=O)N2CCC[C@H]2c2cnn(C)c2)ccc1Br ZINC000193192257 645249711 /nfs/dbraw/zinc/24/97/11/645249711.db2.gz WUIJCARPMCKDKP-ZDUSSCGKSA-N 0 0 392.257 2.188 10 0 GEAERN CCCc1csc(NC(=O)C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)n1 ZINC000193320027 645266848 /nfs/dbraw/zinc/26/68/48/645266848.db2.gz TWRRVGURXSHUIM-JSGCOSHPSA-N 0 0 379.507 2.330 10 0 GEAERN CCn1c(C)nnc1CSc1nnc(-c2cccs2)n1CCC(N)=O ZINC000194689505 645342614 /nfs/dbraw/zinc/34/26/14/645342614.db2.gz MWECLOKNKCZJQD-UHFFFAOYSA-N 0 0 377.499 2.094 10 0 GEAERN CCc1nnc(CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)n1C ZINC000194685358 645342692 /nfs/dbraw/zinc/34/26/92/645342692.db2.gz XJDZUBWNQYIJGT-INIZCTEOSA-N 0 0 392.257 2.107 10 0 GEAERN CC1(C)CCN(C[C@H](O)COCc2ccc(Cl)cc2)CCS1(=O)=O ZINC000194958659 645350965 /nfs/dbraw/zinc/35/09/65/645350965.db2.gz DNCBVROVLWZGPN-INIZCTEOSA-N 0 0 375.918 2.117 10 0 GEAERN Cc1csc([C@H]2CN(Cn3nc(N4CCOCC4)sc3=S)CCO2)n1 ZINC000195294052 645371102 /nfs/dbraw/zinc/37/11/02/645371102.db2.gz MNLXPONSCLWBIP-GFCCVEGCSA-N 0 0 399.567 2.307 10 0 GEAERN C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000245749390 645467727 /nfs/dbraw/zinc/46/77/27/645467727.db2.gz TWLFOLNBGKQABL-BFHKRMIJSA-N 0 0 385.291 2.489 10 0 GEAERN O=S(=O)(CCN1CCN2CCCC[C@H]2C1)c1cccc(Br)c1 ZINC000247032797 645501483 /nfs/dbraw/zinc/50/14/83/645501483.db2.gz MYQDWMOBGGLWGY-HNNXBMFYSA-N 0 0 387.343 2.393 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)C[C@H]1C ZINC000247043974 645502577 /nfs/dbraw/zinc/50/25/77/645502577.db2.gz KXRLJNJNLDGNIN-LLVKDONJSA-N 0 0 382.313 2.120 10 0 GEAERN Cc1nnc([C@@H]2CN(C[C@@H](O)COc3c(Cl)cccc3Cl)CCO2)[nH]1 ZINC000247537180 645512667 /nfs/dbraw/zinc/51/26/67/645512667.db2.gz OVTSARSUKDUHFD-RISCZKNCSA-N 0 0 387.267 2.233 10 0 GEAERN C[C@H](O)CN1CCN(C(=O)c2cc(Br)c(F)cc2F)C[C@H]1C ZINC000248844421 645541024 /nfs/dbraw/zinc/54/10/24/645541024.db2.gz RFEYTEUAPBAQQB-ZJUUUORDSA-N 0 0 377.229 2.254 10 0 GEAERN C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1cccs1 ZINC000249352938 645553110 /nfs/dbraw/zinc/55/31/10/645553110.db2.gz XGCPUKATCGFLTK-XQQFMLRXSA-N 0 0 381.523 2.312 10 0 GEAERN CC(=O)N[C@@H]1CCCN([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000249721343 645558899 /nfs/dbraw/zinc/55/88/99/645558899.db2.gz MNYJPKYBUPYARW-CXAGYDPISA-N 0 0 396.329 2.397 10 0 GEAERN COC(=O)[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2C)C[C@H]1C ZINC000250916881 645564071 /nfs/dbraw/zinc/56/40/71/645564071.db2.gz IQIFABMFNKSXHH-PWSUYJOCSA-N 0 0 376.272 2.187 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000252352945 645565459 /nfs/dbraw/zinc/56/54/59/645565459.db2.gz OHNGCPSBWAXOCS-ULQDDVLXSA-N 0 0 381.314 2.468 10 0 GEAERN CC(=O)N[C@H]1CCCN(S(=O)(=O)/C=C\c2cccc(Br)c2)C1 ZINC000254973513 645573924 /nfs/dbraw/zinc/57/39/24/645573924.db2.gz AHIAPZQICCYSTO-VIHMKRCTSA-N 0 0 387.299 2.350 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000262488579 645632911 /nfs/dbraw/zinc/63/29/11/645632911.db2.gz WCXJPPCMVRIRQP-UHFFFAOYSA-N 0 0 395.308 2.350 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@H](C)Oc2ccccc2Br)C1 ZINC000262813611 645645972 /nfs/dbraw/zinc/64/59/72/645645972.db2.gz ONSTUQFYPDUEDF-HIFPTAJRSA-N 0 0 399.285 2.270 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NCc2cc(F)c(Cl)cc2F)C1 ZINC000263354427 645661848 /nfs/dbraw/zinc/66/18/48/645661848.db2.gz IPHDHRCDIOBPAT-UHFFFAOYSA-N 0 0 375.803 2.355 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000263407010 645663890 /nfs/dbraw/zinc/66/38/90/645663890.db2.gz HZIXBGKJXMODMC-SSDMNJCBSA-N 0 0 375.252 2.081 10 0 GEAERN Cc1ccc(Cl)cc1S(=O)(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263457529 645665543 /nfs/dbraw/zinc/66/55/43/645665543.db2.gz CMBLAZQLKSDWNO-UHFFFAOYSA-N 0 0 386.901 2.254 10 0 GEAERN C[N@H+](CC(=O)[O-])C1CCN(Cc2cccc(I)c2)CC1 ZINC000263532714 645667810 /nfs/dbraw/zinc/66/78/10/645667810.db2.gz XMIGKXGMEMWDII-UHFFFAOYSA-N 0 0 388.249 2.272 10 0 GEAERN C[C@H]1NC(=O)CC[C@H]1NCc1ncc(Br)cc1Br ZINC000392855991 647894963 /nfs/dbraw/zinc/89/49/63/647894963.db2.gz BBCLRJWDGNQQKF-GMSGAONNSA-N 0 0 377.080 2.363 10 0 GEAERN Cc1cc(I)ccc1NC(=O)CN1C[C@H](O)CC[C@@H]1C ZINC000399467162 647901452 /nfs/dbraw/zinc/90/14/52/647901452.db2.gz LIIZBPUDBCOCLD-WCQYABFASA-N 0 0 388.249 2.383 10 0 GEAERN Cc1csc(S(=O)(=O)N(C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)c1 ZINC000568356674 651663222 /nfs/dbraw/zinc/66/32/22/651663222.db2.gz GEVBZVAXTYAROP-WMLDXEAASA-N 0 0 382.555 2.494 10 0 GEAERN CN1C[C@H](CNC(=O)c2cc(Br)sc2Br)CC1=O ZINC000619005708 652042128 /nfs/dbraw/zinc/04/21/28/652042128.db2.gz MVWWODNFDARCSH-LURJTMIESA-N 0 0 396.104 2.481 10 0 GEAERN CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1ncc(Br)c2ccsc21 ZINC000664273805 652525259 /nfs/dbraw/zinc/52/52/59/652525259.db2.gz USKSPQKJVAZSAL-UWVGGRQHSA-N 0 0 377.285 2.283 10 0 GEAERN OC[C@H](O)CSc1ncc(C(F)(F)F)cc1I ZINC000601124009 652955183 /nfs/dbraw/zinc/95/51/83/652955183.db2.gz BMLRNERULDZVJA-LURJTMIESA-N 0 0 379.141 2.150 10 0 GEAERN CCOC(=O)c1ncc(Br)c(N2CC[C@H](Oc3ccccn3)C2)n1 ZINC000892936765 654371244 /nfs/dbraw/zinc/37/12/44/654371244.db2.gz OQSGDKXYJRYNJV-NSHDSACASA-N 0 0 393.241 2.469 10 0 GEAERN O=C(CN1CC[C@H](n2cc(C3CC3)nn2)C1)Nc1ccc(Br)cn1 ZINC000931121629 654729905 /nfs/dbraw/zinc/72/99/05/654729905.db2.gz CWWBYXZDCKXULS-ZDUSSCGKSA-N 0 0 391.273 2.199 10 0 GEAERN Cc1n[nH]c(CCC(=O)N2CCn3nc([C@@H](O)c4ccccc4)cc3C2)c1C ZINC000223907021 222646960 /nfs/dbraw/zinc/64/69/60/222646960.db2.gz HVUAHSPUECNFTD-NRFANRHFSA-N 0 0 379.464 2.280 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)Cc1ccc(Br)c(F)c1)CC2 ZINC000151663848 531515418 /nfs/dbraw/zinc/51/54/18/531515418.db2.gz HLTGRWJNUWXDSD-NSHDSACASA-N 0 0 381.249 2.416 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCc1ccc(OC)cc1Cl ZINC000151413595 531500011 /nfs/dbraw/zinc/50/00/11/531500011.db2.gz VPPIYNMVTAQJKK-INIZCTEOSA-N 0 0 388.917 2.212 10 0 GEAERN CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H](Oc3cccnc3)C2)c1 ZINC000151505036 531506073 /nfs/dbraw/zinc/50/60/73/531506073.db2.gz PEGWWQSMDVCUFQ-ZDUSSCGKSA-N 0 0 380.853 2.432 10 0 GEAERN C[C@H](NC(=O)CCNC(=O)c1cccs1)c1ccc(S(C)(=O)=O)cc1 ZINC000016109450 531570216 /nfs/dbraw/zinc/57/02/16/531570216.db2.gz NVWLTCCKOSDEOP-LBPRGKRZSA-N 0 0 380.491 2.149 10 0 GEAERN Cc1noc([C@@H]2COCCN2C(=O)Cc2cc(F)ccc2Br)n1 ZINC000152803397 531571565 /nfs/dbraw/zinc/57/15/65/531571565.db2.gz QGCSFSAKSQORSN-ZDUSSCGKSA-N 0 0 384.205 2.422 10 0 GEAERN COCCn1nc(C(=O)N[C@H](C)c2ccccc2Br)ccc1=O ZINC000021914134 531589771 /nfs/dbraw/zinc/58/97/71/531589771.db2.gz QTEJEVIMHUFAPA-LLVKDONJSA-N 0 0 380.242 2.143 10 0 GEAERN O=C(NCCNC(=O)c1cccc(Br)c1)NC[C@H]1CCCC[C@H]1O ZINC000154401952 531625044 /nfs/dbraw/zinc/62/50/44/531625044.db2.gz BJUAUMVOWWUWDF-UKRRQHHQSA-N 0 0 398.301 2.029 10 0 GEAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)COc1ccc(Br)cc1 ZINC000154956965 531645859 /nfs/dbraw/zinc/64/58/59/531645859.db2.gz GHDOBGAGDNEKCE-CYBMUJFWSA-N 0 0 395.257 2.217 10 0 GEAERN Cn1cc([C@H]2CCCN2C(=O)CNC(=O)c2ccc(Br)cc2)cn1 ZINC000154822423 531635649 /nfs/dbraw/zinc/63/56/49/531635649.db2.gz CZAKVIMVIJKBTN-OAHLLOKOSA-N 0 0 391.269 2.276 10 0 GEAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)CNC(=O)c1ccc(Br)cc1 ZINC000155174332 531662466 /nfs/dbraw/zinc/66/24/66/531662466.db2.gz UDKLESHQXCXFPL-LLVKDONJSA-N 0 0 399.285 2.368 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)Cc2ccc(F)c(Cl)c2)C[C@@H]1C ZINC000155203952 531663424 /nfs/dbraw/zinc/66/34/24/531663424.db2.gz DOLCDJSUISDERN-ZDUSSCGKSA-N 0 0 378.897 2.352 10 0 GEAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000045320496 531690919 /nfs/dbraw/zinc/69/09/19/531690919.db2.gz YGRORNODVLFWQP-LLVKDONJSA-N 0 0 395.308 2.255 10 0 GEAERN CCOc1cc(Br)ccc1NC(=O)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000156284898 531727009 /nfs/dbraw/zinc/72/70/09/531727009.db2.gz VFMYRMOXMLJWEZ-BXUZGUMPSA-N 0 0 399.285 2.454 10 0 GEAERN Cc1nccn1C[C@H]1CCCN1C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000156281746 531727667 /nfs/dbraw/zinc/72/76/67/531727667.db2.gz UBFRNLFTOGJSQQ-CYBMUJFWSA-N 0 0 394.273 2.349 10 0 GEAERN C[C@H](Cc1ccc(Br)cc1)NC(=O)NC[C@H](C)N1CCOCC1 ZINC000049130824 531734467 /nfs/dbraw/zinc/73/44/67/531734467.db2.gz ALDAZBLRZAUBFQ-KGLIPLIRSA-N 0 0 384.318 2.400 10 0 GEAERN NS(=O)(=O)c1cccc(CNC(=O)N[C@H]2CCc3cc(Cl)ccc32)c1 ZINC000056940870 531815114 /nfs/dbraw/zinc/81/51/14/531815114.db2.gz NVVBDCGZCUTLIV-INIZCTEOSA-N 0 0 379.869 2.474 10 0 GEAERN COC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)cc1Br ZINC000162750818 531848833 /nfs/dbraw/zinc/84/88/33/531848833.db2.gz OERVPMTYGILGRV-LLVKDONJSA-N 0 0 389.633 2.205 10 0 GEAERN CCc1ccc([C@H](C)NS(=O)(=O)c2cccc(S(=O)(=O)NC)c2)cc1 ZINC000064572795 531868774 /nfs/dbraw/zinc/86/87/74/531868774.db2.gz QNKLRUBYODOUIU-ZDUSSCGKSA-N 0 0 382.507 2.197 10 0 GEAERN COC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1cccc(C)c1Br ZINC000163577348 531860304 /nfs/dbraw/zinc/86/03/04/531860304.db2.gz CJKDWVYIORKBOO-LBPRGKRZSA-N 0 0 383.242 2.250 10 0 GEAERN CN(C)c1ccc(Br)c(S(=O)(=O)NC[C@H]2CCCC[C@H]2O)c1 ZINC000163569534 531861248 /nfs/dbraw/zinc/86/12/48/531861248.db2.gz HJXVKYLFZWQZFM-BXUZGUMPSA-N 0 0 391.331 2.345 10 0 GEAERN COC(=O)[C@@H]1C[C@H]1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000170776202 531892364 /nfs/dbraw/zinc/89/23/64/531892364.db2.gz GXIYHDSPQGMKJT-HUUCEWRRSA-N 0 0 396.281 2.423 10 0 GEAERN COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000172076239 531932399 /nfs/dbraw/zinc/93/23/99/531932399.db2.gz YALFOCPWNYWAIK-NSHDSACASA-N 0 0 383.857 2.038 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc3sc(N(C)C)nc3s1)CC2 ZINC000172255059 531943388 /nfs/dbraw/zinc/94/33/88/531943388.db2.gz JKCGDCKORWFMDO-SECBINFHSA-N 0 0 376.511 2.323 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCc1ccc(Br)cn1 ZINC000112207789 531945775 /nfs/dbraw/zinc/94/57/75/531945775.db2.gz BGLMOKKTWYAZLV-CYBMUJFWSA-N 0 0 391.287 2.092 10 0 GEAERN CSc1ncc(Cl)c(C(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)n1 ZINC000172348982 531947874 /nfs/dbraw/zinc/94/78/74/531947874.db2.gz CNDXNVFNNKYJDE-NSHDSACASA-N 0 0 378.889 2.383 10 0 GEAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000114841209 531957914 /nfs/dbraw/zinc/95/79/14/531957914.db2.gz JCDCEVFPWUIIID-SVRRBLITSA-N 0 0 396.163 2.248 10 0 GEAERN O=C(N[C@@H]1CCc2ncnn2C1)N1CCc2c(Br)cccc2C1 ZINC000172605052 531961393 /nfs/dbraw/zinc/96/13/93/531961393.db2.gz WAHNUPIJICROTH-GFCCVEGCSA-N 0 0 376.258 2.123 10 0 GEAERN CC(=O)Nc1cc(F)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c(F)c1Cl ZINC000172953312 531975917 /nfs/dbraw/zinc/97/59/17/531975917.db2.gz WOZIWBGOBSRRDW-YUMQZZPRSA-N 0 0 382.816 2.375 10 0 GEAERN C[C@@H](NC(=O)c1c[nH]c(=O)c(Br)c1)c1ccc2c(c1)OCCO2 ZINC000172959033 531976211 /nfs/dbraw/zinc/97/62/11/531976211.db2.gz GCPOLHZASFAPQY-SECBINFHSA-N 0 0 379.210 2.400 10 0 GEAERN C[C@H](CNC(=O)N[C@@H](C)Cc1cccc(Br)c1)N1CCOCC1 ZINC000120840685 531997953 /nfs/dbraw/zinc/99/79/53/531997953.db2.gz ZZWBVAYPWYBHIL-UONOGXRCSA-N 0 0 384.318 2.400 10 0 GEAERN Cc1cc(Br)cc(Cl)c1NC(=O)C(=O)N1CCC[C@H]1CO ZINC000120906514 532002488 /nfs/dbraw/zinc/00/24/88/532002488.db2.gz WVGYHLXJLXTHCT-JTQLQIEISA-N 0 0 375.650 2.333 10 0 GEAERN Cc1noc([C@@H]2COCCN2C(=O)c2[nH]nc(C(C)C)c2Br)n1 ZINC000121005748 532007057 /nfs/dbraw/zinc/00/70/57/532007057.db2.gz VVMUGLVSANALMF-VIFPVBQESA-N 0 0 384.234 2.201 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)CSc3nc4ccccc4s3)CCO2)[nH]1 ZINC000173602516 532022719 /nfs/dbraw/zinc/02/27/19/532022719.db2.gz JVSLNWCUHPXNQQ-GFCCVEGCSA-N 0 0 375.479 2.415 10 0 GEAERN Cc1nnc([C@H]2CN(CC(=O)Nc3ccc(C)cc3Br)CCO2)[nH]1 ZINC000173715095 532027863 /nfs/dbraw/zinc/02/78/63/532027863.db2.gz AOCDGIKGNUOVOE-CQSZACIVSA-N 0 0 394.273 2.196 10 0 GEAERN Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173689155 532026249 /nfs/dbraw/zinc/02/62/49/532026249.db2.gz JGPWCBRKWIYCRF-CYBMUJFWSA-N 0 0 392.257 2.151 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN(C)c2ccc(Cl)cc21 ZINC000173677493 532026641 /nfs/dbraw/zinc/02/66/41/532026641.db2.gz XTXXZDYPMHJJSX-OAHLLOKOSA-N 0 0 385.917 2.327 10 0 GEAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3c(Cl)cccc3Cl)CCO2)[nH]1 ZINC000173734256 532029124 /nfs/dbraw/zinc/02/91/24/532029124.db2.gz JQBVSBZRUJXYFT-LLVKDONJSA-N 0 0 377.253 2.182 10 0 GEAERN C[C@@H](NC(=O)N1CCc2nn(C)c(=O)cc2C1)c1cccc(Br)c1 ZINC000173792242 532033733 /nfs/dbraw/zinc/03/37/33/532033733.db2.gz MLXWIMJSZYVFIH-LLVKDONJSA-N 0 0 391.269 2.372 10 0 GEAERN CC(C)c1n[nH]c(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1Br ZINC000173831166 532035787 /nfs/dbraw/zinc/03/57/87/532035787.db2.gz ZFUYMWXZGUAIBP-NWDGAFQWSA-N 0 0 385.306 2.088 10 0 GEAERN C[C@@H]1CN(C(=O)COc2ccc(Br)cc2)C[C@@H]1N1CCOCC1 ZINC000173824116 532035533 /nfs/dbraw/zinc/03/55/33/532035533.db2.gz IALOYTCAIZXBBK-CJNGLKHVSA-N 0 0 383.286 2.007 10 0 GEAERN Cc1nnc([C@H]2CN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CCO2)[nH]1 ZINC000173837959 532036842 /nfs/dbraw/zinc/03/68/42/532036842.db2.gz AEDMBLREKJQNQI-CYBMUJFWSA-N 0 0 391.280 2.323 10 0 GEAERN CCc1nnc([C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3Cl)CCO2)[nH]1 ZINC000173839300 532036863 /nfs/dbraw/zinc/03/68/63/532036863.db2.gz YIMWNAUUAOYHSD-NSHDSACASA-N 0 0 391.280 2.436 10 0 GEAERN Cc1nnc([C@@H]2CN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CCO2)[nH]1 ZINC000173837945 532037259 /nfs/dbraw/zinc/03/72/59/532037259.db2.gz AEDMBLREKJQNQI-ZDUSSCGKSA-N 0 0 391.280 2.323 10 0 GEAERN Brc1ccc(-c2noc(CN3CC[C@H](N4CCOCC4)C3)n2)s1 ZINC000173906609 532042262 /nfs/dbraw/zinc/04/22/62/532042262.db2.gz OSOPBWVKVRQESL-NSHDSACASA-N 0 0 399.314 2.467 10 0 GEAERN Brc1cccc(-c2noc(CN3CC[C@@H](N4CCOCC4)C3)n2)c1 ZINC000173905963 532042478 /nfs/dbraw/zinc/04/24/78/532042478.db2.gz PWUOJYPUDFLJQC-OAHLLOKOSA-N 0 0 393.285 2.406 10 0 GEAERN C[C@H](NC(=O)N1CCS(=O)(=O)[C@H](C)C1)c1ccccc1Br ZINC000121784831 532046609 /nfs/dbraw/zinc/04/66/09/532046609.db2.gz AYYMPZAMZLIRAO-MNOVXSKESA-N 0 0 375.288 2.339 10 0 GEAERN CCOCCN1CCN(C(=O)COc2ccccc2Br)C[C@H]1C ZINC000122251192 532063136 /nfs/dbraw/zinc/06/31/36/532063136.db2.gz IKYIAFMYUAMXFU-CQSZACIVSA-N 0 0 385.302 2.397 10 0 GEAERN CN(C(=O)c1cncc(Br)c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000122577579 532075187 /nfs/dbraw/zinc/07/51/87/532075187.db2.gz MYLOGKWLGAKCFN-CQSZACIVSA-N 0 0 376.258 2.375 10 0 GEAERN C[C@H](NC(=O)NCCNS(=O)(=O)c1cccnc1)c1cccc(Cl)c1 ZINC000122819476 532083741 /nfs/dbraw/zinc/08/37/41/532083741.db2.gz KFAVMZZKQHADEM-LBPRGKRZSA-N 0 0 382.873 2.074 10 0 GEAERN CCCCN(C)S(=O)(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000175213755 532092793 /nfs/dbraw/zinc/09/27/93/532092793.db2.gz PZNFFLNGGCSYGS-HNNXBMFYSA-N 0 0 375.560 2.030 10 0 GEAERN CC(C)OCCS(=O)(=O)NCC(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000175272111 532096658 /nfs/dbraw/zinc/09/66/58/532096658.db2.gz DQKVRQDAARBVRP-LLVKDONJSA-N 0 0 380.869 2.001 10 0 GEAERN CS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2c2nccs2)cc1 ZINC000175388022 532101957 /nfs/dbraw/zinc/10/19/57/532101957.db2.gz DPIFDKBISNWQCT-AWEZNQCLSA-N 0 0 386.520 2.463 10 0 GEAERN Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176105137 532126746 /nfs/dbraw/zinc/12/67/46/532126746.db2.gz MNANQUOMCWNOLC-LBPRGKRZSA-N 0 0 392.257 2.247 10 0 GEAERN O=C(CNC(=O)c1cccc(Br)c1)N1CCC[C@@H]1Cn1ccnc1 ZINC000176185030 532128597 /nfs/dbraw/zinc/12/85/97/532128597.db2.gz IFYVMNRRSNPJTD-OAHLLOKOSA-N 0 0 391.269 2.067 10 0 GEAERN NS(=O)(=O)c1cccc(CNC(=O)N2CCCC[C@H]2c2nccs2)c1 ZINC000176232001 532130578 /nfs/dbraw/zinc/13/05/78/532130578.db2.gz PLOANCUERWPQJR-AWEZNQCLSA-N 0 0 380.495 2.227 10 0 GEAERN C[C@H](CNC(=O)NC[C@H](O)c1c(Cl)cccc1Cl)N1CCOCC1 ZINC000125390226 532134808 /nfs/dbraw/zinc/13/48/08/532134808.db2.gz PNKAAZYZHWQHLT-RISCZKNCSA-N 0 0 376.284 2.047 10 0 GEAERN Cc1cnn(C[C@H]2CN(C(=O)Nc3cncc(Br)c3)CCO2)c1 ZINC000126743830 532150416 /nfs/dbraw/zinc/15/04/16/532150416.db2.gz ZAVNUSUREDQKPB-CQSZACIVSA-N 0 0 380.246 2.282 10 0 GEAERN CC(C)c1n[nH]c(C(=O)N2CCC[C@H](Cn3cncn3)C2)c1Br ZINC000126772466 532150746 /nfs/dbraw/zinc/15/07/46/532150746.db2.gz MXUMUUMQRADKLZ-NSHDSACASA-N 0 0 381.278 2.440 10 0 GEAERN CC(C)n1nnnc1C[S@](=O)CC(=O)Nc1ccccc1C(F)(F)F ZINC000176571142 532141344 /nfs/dbraw/zinc/14/13/44/532141344.db2.gz LEJZYMVZMYTTSH-VWLOTQADSA-N 0 0 375.376 2.160 10 0 GEAERN C[C@H]1CN(Cc2cc3c(cc2Br)OCCO3)C[C@@H]1N1CCOCC1 ZINC000177240603 532165186 /nfs/dbraw/zinc/16/51/86/532165186.db2.gz HBHIBYBSCFSIKU-BBRMVZONSA-N 0 0 397.313 2.373 10 0 GEAERN C[C@H]1CN(CC(=O)Nc2ccccc2Br)C[C@@H]1N1CCOCC1 ZINC000177274455 532167500 /nfs/dbraw/zinc/16/75/00/532167500.db2.gz VOBZBHATKGDGGO-BBRMVZONSA-N 0 0 382.302 2.040 10 0 GEAERN O=C(NCc1cc2c(c(Br)c1)OCO2)N[C@H]1CCCn2ncnc21 ZINC000177322098 532168467 /nfs/dbraw/zinc/16/84/67/532168467.db2.gz OJKZTNPHIKDFMR-NSHDSACASA-N 0 0 394.229 2.104 10 0 GEAERN O=C(NCCOc1cccc(Br)c1)N[C@@H]1CCCn2ncnc21 ZINC000177363471 532169865 /nfs/dbraw/zinc/16/98/65/532169865.db2.gz ZBSXKJJZBLABGO-CYBMUJFWSA-N 0 0 380.246 2.254 10 0 GEAERN Cc1cc(S(=O)(=O)N2CCC[C@H](n3cncn3)C2)sc1Br ZINC000176954802 532156888 /nfs/dbraw/zinc/15/68/88/532156888.db2.gz LUWAUJOEPJPTQV-JTQLQIEISA-N 0 0 391.316 2.436 10 0 GEAERN C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)C[C@@H]1N1CCOCC1 ZINC000176997036 532158563 /nfs/dbraw/zinc/15/85/63/532158563.db2.gz WLJBXNUDMQYFFP-RISCZKNCSA-N 0 0 379.309 2.335 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000177002869 532158705 /nfs/dbraw/zinc/15/87/05/532158705.db2.gz OPXNICLEUIASTF-LBPRGKRZSA-N 0 0 376.360 2.299 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(Br)ccc1C ZINC000177005864 532158837 /nfs/dbraw/zinc/15/88/37/532158837.db2.gz LPLZVYSURJPUJD-LBPRGKRZSA-N 0 0 385.287 2.471 10 0 GEAERN Cc1nsc(N2CCN(C[C@@H](O)COCc3ccc(Cl)cc3)CC2)n1 ZINC000177838613 532184488 /nfs/dbraw/zinc/18/44/88/532184488.db2.gz WKEAZEGGCOIICO-MRXNPFEDSA-N 0 0 382.917 2.200 10 0 GEAERN C[C@@H](NC(=O)Nc1ncn(CC(=O)N(C)C)n1)c1ccccc1Br ZINC000177470311 532172405 /nfs/dbraw/zinc/17/24/05/532172405.db2.gz CKLRHSVTZSYPRI-SNVBAGLBSA-N 0 0 395.261 2.012 10 0 GEAERN CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)CCN1C[C@@H](C)O ZINC000177615747 532177702 /nfs/dbraw/zinc/17/77/02/532177702.db2.gz QEJAAICHRMFDKJ-YPMHNXCESA-N 0 0 388.295 2.236 10 0 GEAERN Cn1cc(Br)cc(NC(=O)N2CCO[C@@H](c3nccs3)C2)c1=O ZINC000177981939 532188892 /nfs/dbraw/zinc/18/88/92/532188892.db2.gz RWWVHPLEQWNXBL-LLVKDONJSA-N 0 0 399.270 2.210 10 0 GEAERN CCc1nnc([C@@H]2CN(C(=O)NCc3cccc(Br)c3)CCO2)[nH]1 ZINC000178029115 532190879 /nfs/dbraw/zinc/19/08/79/532190879.db2.gz UIILVRJUWIOIAP-ZDUSSCGKSA-N 0 0 394.273 2.413 10 0 GEAERN CNC(=O)[C@H](NC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1)C(C)C ZINC000178455650 532202327 /nfs/dbraw/zinc/20/23/27/532202327.db2.gz PVNOINHEWKTSNF-HUUCEWRRSA-N 0 0 398.301 2.303 10 0 GEAERN COCCN1CCN(S(=O)(=O)c2ccc(Br)cc2C)C[C@H]1C ZINC000133342083 532232597 /nfs/dbraw/zinc/23/25/97/532232597.db2.gz BJTDZHWEVBFQKA-CYBMUJFWSA-N 0 0 391.331 2.099 10 0 GEAERN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2CCCC[C@H]2CO)cc1Cl ZINC000134036406 532249320 /nfs/dbraw/zinc/24/93/20/532249320.db2.gz NMAFOANXGBNWOY-GWCFXTLKSA-N 0 0 378.853 2.267 10 0 GEAERN Cn1c(CS(=O)(=O)c2nnc(NC3CCCCC3)s2)nnc1C1CC1 ZINC000179621218 532239028 /nfs/dbraw/zinc/23/90/28/532239028.db2.gz YBIQRUDXDXKEKO-UHFFFAOYSA-N 0 0 382.515 2.263 10 0 GEAERN CCn1c(C)nnc1CN(Cc1cccc(Br)c1)S(C)(=O)=O ZINC000180399322 532270627 /nfs/dbraw/zinc/27/06/27/532270627.db2.gz XGEIHTTWZSTHIS-UHFFFAOYSA-N 0 0 387.303 2.331 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc(OC)c(Br)s1)CC2 ZINC000134855139 532263808 /nfs/dbraw/zinc/26/38/08/532263808.db2.gz XOQNINDCCNFVKA-MRVPVSSYSA-N 0 0 385.287 2.418 10 0 GEAERN CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000180309601 532267225 /nfs/dbraw/zinc/26/72/25/532267225.db2.gz OEYZYFDYDYXKQM-CMPLNLGQSA-N 0 0 377.869 2.263 10 0 GEAERN Cn1cc([C@@H]2CCN(S(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)C2)cn1 ZINC000180306763 532267305 /nfs/dbraw/zinc/26/73/05/532267305.db2.gz UGTLUIYUWLJOER-SSDOTTSWSA-N 0 0 381.326 2.294 10 0 GEAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2cccnc2Br)ncn1 ZINC000136007064 532281476 /nfs/dbraw/zinc/28/14/76/532281476.db2.gz PXXHKFGRYMOJNR-LLVKDONJSA-N 0 0 391.273 2.075 10 0 GEAERN Cc1ccc2c(c1)[C@@H](NC(=O)NCc1ccc(S(N)(=O)=O)s1)[C@@H](C)C2 ZINC000180825549 532282869 /nfs/dbraw/zinc/28/28/69/532282869.db2.gz LSNATIMBUGARTG-ZBEGNZNMSA-N 0 0 379.507 2.437 10 0 GEAERN Cc1ccc(S(=O)(=O)N2CCC[C@H](Cn3cncn3)C2)c(Br)c1 ZINC000180981706 532287701 /nfs/dbraw/zinc/28/77/01/532287701.db2.gz YHVHKOGTCFSLQX-CYBMUJFWSA-N 0 0 399.314 2.450 10 0 GEAERN CCOCCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H]1C[C@@H]1C ZINC000181105473 532291860 /nfs/dbraw/zinc/29/18/60/532291860.db2.gz NDYHUXQJIDALDU-CMPLNLGQSA-N 0 0 385.258 2.328 10 0 GEAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@@H](C)c1ccccc1Br ZINC000181349966 532296485 /nfs/dbraw/zinc/29/64/85/532296485.db2.gz ATATVOUWNJGBPC-NSHDSACASA-N 0 0 392.253 2.272 10 0 GEAERN COCc1cc(NC(=O)C(=O)N[C@H](C)c2cccc(Br)c2)ncn1 ZINC000181441414 532298873 /nfs/dbraw/zinc/29/88/73/532298873.db2.gz SAKGKAGJTKTJJU-SNVBAGLBSA-N 0 0 393.241 2.201 10 0 GEAERN C[C@@H]1CN(S(=O)(=O)c2cccc(I)c2)C[C@@H](C)O1 ZINC000150989946 532306000 /nfs/dbraw/zinc/30/60/00/532306000.db2.gz WVVNXLUYRWYYPN-NXEZZACHSA-N 0 0 381.235 2.089 10 0 GEAERN Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000182954654 532320092 /nfs/dbraw/zinc/32/00/92/532320092.db2.gz ZUJNLAXGFJHJKX-NSHDSACASA-N 0 0 392.253 2.272 10 0 GEAERN COCC(=O)NC1CN(C(=O)CCc2cc(Cl)ccc2Br)C1 ZINC000185220980 532337155 /nfs/dbraw/zinc/33/71/55/532337155.db2.gz PCBNVRHDAAEOGF-UHFFFAOYSA-N 0 0 389.677 2.009 10 0 GEAERN COCC(=O)NC1CN(C(=O)c2oc3ccc(Br)cc3c2C)C1 ZINC000185300558 532337471 /nfs/dbraw/zinc/33/74/71/532337471.db2.gz FSWZRQMSIFXLGX-UHFFFAOYSA-N 0 0 381.226 2.091 10 0 GEAERN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@H]1c1ccco1 ZINC000187231032 532343695 /nfs/dbraw/zinc/34/36/95/532343695.db2.gz HHAUTOGJERDMLZ-ZDUSSCGKSA-N 0 0 384.479 2.056 10 0 GEAERN C[C@H](NC(=O)NCC1CN(S(C)(=O)=O)C1)c1c(Cl)ccc(F)c1Cl ZINC000186291311 532340394 /nfs/dbraw/zinc/34/03/94/532340394.db2.gz CUABNORBVUHEIS-QMMMGPOBSA-N 0 0 398.287 2.384 10 0 GEAERN Cc1noc([C@H]2COCCN2S(=O)(=O)Cc2ccc(F)c(Cl)c2)n1 ZINC000183743885 532328339 /nfs/dbraw/zinc/32/83/39/532328339.db2.gz UQXUUWUWIVILIU-CYBMUJFWSA-N 0 0 375.809 2.074 10 0 GEAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2cc(Cl)ccc2Cl)n1 ZINC000183744014 532328537 /nfs/dbraw/zinc/32/85/37/532328537.db2.gz VLGNXPHWWVOJRW-NSHDSACASA-N 0 0 378.237 2.447 10 0 GEAERN COc1ncncc1NC(=O)C(=O)N[C@H](C)c1ccccc1Br ZINC000184185685 532331077 /nfs/dbraw/zinc/33/10/77/532331077.db2.gz UIRZNGZNWPNNBT-SECBINFHSA-N 0 0 379.214 2.064 10 0 GEAERN Cc1csc([C@H]2CCCN(S(=O)(=O)c3cnn(CC(F)F)c3)C2)n1 ZINC000187224792 532343568 /nfs/dbraw/zinc/34/35/68/532343568.db2.gz XVXUMVUPJLEXGP-NSHDSACASA-N 0 0 376.454 2.481 10 0 GEAERN COc1cc(C)c(Br)cc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000184674084 532334419 /nfs/dbraw/zinc/33/44/19/532334419.db2.gz NXYAEKDHAXOUDJ-DGCLKSJQSA-N 0 0 399.285 2.372 10 0 GEAERN Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@H]1CCCn2ncnc21 ZINC000187222106 532343594 /nfs/dbraw/zinc/34/35/94/532343594.db2.gz DVMKXTKRKYHWJX-NSHDSACASA-N 0 0 396.220 2.078 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)NCc2cc(Br)cs2)CC1 ZINC000184871972 532335090 /nfs/dbraw/zinc/33/50/90/532335090.db2.gz ZNRDJCIAVFTWRA-LBPRGKRZSA-N 0 0 376.320 2.109 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)N[C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000184878167 532335447 /nfs/dbraw/zinc/33/54/47/532335447.db2.gz KCSGBJLHBJSGLU-YOEHRIQHSA-N 0 0 398.345 2.478 10 0 GEAERN CC[C@@H](O)CN1CCN(C(=O)N[C@H](C)Cc2cccc(Br)c2)CC1 ZINC000184962446 532336043 /nfs/dbraw/zinc/33/60/43/532336043.db2.gz SZZLOCCJRWPGNI-RHSMWYFYSA-N 0 0 398.345 2.478 10 0 GEAERN O=C(NCc1cc2cc(Br)ccc2[nH]1)N[C@H]1CCc2ncnn2C1 ZINC000184960879 532336281 /nfs/dbraw/zinc/33/62/81/532336281.db2.gz QKTLDPQRCWXCTG-LBPRGKRZSA-N 0 0 389.257 2.336 10 0 GEAERN Cc1c(Br)cccc1CC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000188423100 532348085 /nfs/dbraw/zinc/34/80/85/532348085.db2.gz NWEIUQMPXSIDKP-CXAGYDPISA-N 0 0 381.314 2.479 10 0 GEAERN CCOc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2CCCO2)cc1Br ZINC000188437368 532348127 /nfs/dbraw/zinc/34/81/27/532348127.db2.gz BQTCSCPKEPJZFG-GXFFZTMASA-N 0 0 385.258 2.470 10 0 GEAERN COCC(=O)NC1CN(C(=O)N[C@@H](C)c2c(Cl)ccc(F)c2Cl)C1 ZINC000188465892 532348234 /nfs/dbraw/zinc/34/82/34/532348234.db2.gz ACLOGEXGWPXBPD-QMMMGPOBSA-N 0 0 378.231 2.350 10 0 GEAERN CCN1CCC[C@H](NC(=O)N(C)[C@@H]2CS(=O)(=O)c3ccc(Cl)cc32)C1 ZINC000188480476 532348397 /nfs/dbraw/zinc/34/83/97/532348397.db2.gz NITGXLAFIUDPKR-DZGCQCFKSA-N 0 0 385.917 2.294 10 0 GEAERN Cc1nc(C(=O)N2CCCNC(=O)[C@@H]2C)nn1-c1c(Cl)cccc1Cl ZINC000188888751 532349928 /nfs/dbraw/zinc/34/99/28/532349928.db2.gz XMHNSLBMVRCELE-VIFPVBQESA-N 0 0 382.251 2.233 10 0 GEAERN CNS(=O)(=O)CCNC(=O)[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000188905315 532350178 /nfs/dbraw/zinc/35/01/78/532350178.db2.gz URMRLTNQWCKUCL-TZMCWYRMSA-N 0 0 395.308 2.127 10 0 GEAERN O=C(NC1CN(C(=O)c2cc3c(cc(Br)cc3F)[nH]2)C1)C1CC1 ZINC000189431181 532352211 /nfs/dbraw/zinc/35/22/11/532352211.db2.gz MHDYJEIUBYGNAJ-UHFFFAOYSA-N 0 0 380.217 2.420 10 0 GEAERN CC(=O)N[C@H]1CCCN(C(=O)c2scc(C)c2I)C1 ZINC000189908218 532354056 /nfs/dbraw/zinc/35/40/56/532354056.db2.gz WHGAMGIQCUFIQU-JTQLQIEISA-N 0 0 392.262 2.402 10 0 GEAERN CC(=O)NC1CN(C(=O)c2cc(Br)cc(Br)c2)C1 ZINC000190514874 532356459 /nfs/dbraw/zinc/35/64/59/532356459.db2.gz NKVNBGFITAJXLJ-UHFFFAOYSA-N 0 0 376.048 2.172 10 0 GEAERN CC(C)c1cc(Br)ccc1NC(=O)C(=O)N1CCCNC(=O)[C@@H]1C ZINC000190673783 532357314 /nfs/dbraw/zinc/35/73/14/532357314.db2.gz YLXMORSDXWBBMP-NSHDSACASA-N 0 0 396.285 2.248 10 0 GEAERN C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000190666465 532357353 /nfs/dbraw/zinc/35/73/53/532357353.db2.gz NZIGQSOXLJVKPX-SSDOTTSWSA-N 0 0 378.643 2.322 10 0 GEAERN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CCCNC(=O)[C@@H]1C ZINC000191493997 532361119 /nfs/dbraw/zinc/36/11/19/532361119.db2.gz XRRGWWVQMIDIPM-QWRGUYRKSA-N 0 0 386.265 2.439 10 0 GEAERN Cn1nc(Br)cc1C(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000192156233 532390561 /nfs/dbraw/zinc/39/05/61/532390561.db2.gz UMFFXYCXGYVHPL-NSHDSACASA-N 0 0 393.289 2.478 10 0 GEAERN CC[C@H](C)CS(=O)(=O)N1CCC(N(CC)CC(=O)OC(C)(C)C)CC1 ZINC000192215900 532394819 /nfs/dbraw/zinc/39/48/19/532394819.db2.gz ABAUGUZLSUMIMZ-HNNXBMFYSA-N 0 0 376.563 2.490 10 0 GEAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccc(F)cc1Br ZINC000193703308 532430378 /nfs/dbraw/zinc/43/03/78/532430378.db2.gz DNKKVYIYUAINRN-OAHLLOKOSA-N 0 0 394.244 2.484 10 0 GEAERN CNC(=O)Cn1cc(NC(=O)N[C@H](C)c2ccccc2Br)cn1 ZINC000194271531 532445635 /nfs/dbraw/zinc/44/56/35/532445635.db2.gz JBBBSVKUYXAWTG-SNVBAGLBSA-N 0 0 380.246 2.274 10 0 GEAERN CC[C@@H](NC(=O)C[S@](=O)Cc1nnnn1C(C)C)c1ccc(Cl)cc1 ZINC000194270369 532445504 /nfs/dbraw/zinc/44/55/04/532445504.db2.gz JFCGOWUKZAMTGQ-DLUDVSRJSA-N 0 0 383.905 2.424 10 0 GEAERN CCc1nnc(C[S@](=O)Cc2ccc(I)cc2)n1C ZINC000194306174 532447567 /nfs/dbraw/zinc/44/75/67/532447567.db2.gz SJGSQEIBJOWUSP-LJQANCHMSA-N 0 0 389.262 2.431 10 0 GEAERN O=C(Cc1c[nH]c2ccccc12)N1C[C@@H]2[C@H](C1)OCC(=O)N2Cc1ccccc1 ZINC000067897427 291117151 /nfs/dbraw/zinc/11/71/51/291117151.db2.gz OAQZGEKUTXXCNX-RTWAWAEBSA-N 0 0 389.455 2.349 10 0 GEAERN O=C(c1cc(CC2(NCc3ccc4c(c3)OCO4)COC2)no1)N1CCCCC1 ZINC000067898511 291117224 /nfs/dbraw/zinc/11/72/24/291117224.db2.gz IMJIADSUJZHKAU-UHFFFAOYSA-N 0 0 399.447 2.131 10 0 GEAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1sccc1Br ZINC000195089414 532467492 /nfs/dbraw/zinc/46/74/92/532467492.db2.gz DJFRXLNDNKWNLU-GFCCVEGCSA-N 0 0 382.283 2.406 10 0 GEAERN CCn1c(-c2ccc(O)c(Br)c2)nc2c1c(=O)[nH]c(=O)n2CC ZINC000195512010 532479773 /nfs/dbraw/zinc/47/97/73/532479773.db2.gz NJDCGGNKZOAJQN-UHFFFAOYSA-N 0 0 379.214 2.061 10 0 GEAERN C[C@@H]1NC(=O)CC[C@@H]1NS(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000282541913 532475644 /nfs/dbraw/zinc/47/56/44/532475644.db2.gz NEDFOPUVWSLBGC-CPCISQLKSA-N 0 0 381.679 2.048 10 0 GEAERN Cc1nnc([C@@H]2CN([C@H](C)C(=O)Nc3ccc(Br)cc3)CCO2)[nH]1 ZINC000246263223 532535476 /nfs/dbraw/zinc/53/54/76/532535476.db2.gz YWFFVHCMEQJKOU-YGRLFVJLSA-N 0 0 394.273 2.276 10 0 GEAERN C[C@@H]1CN(CC(=O)Nc2ccc(Br)cc2)C[C@H]1N1CCOCC1 ZINC000246508825 532540361 /nfs/dbraw/zinc/54/03/61/532540361.db2.gz QJIVMPALBSYHTA-CZUORRHYSA-N 0 0 382.302 2.040 10 0 GEAERN CC[S@](=O)[C@@H]1CCC[C@@H](NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)C1 ZINC000246552350 532540406 /nfs/dbraw/zinc/54/04/06/532540406.db2.gz GSMKADCHVGREBZ-RCOCEYTJSA-N 0 0 389.583 2.381 10 0 GEAERN C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)C[C@H]1N1CCOCC1 ZINC000246501459 532540500 /nfs/dbraw/zinc/54/05/00/532540500.db2.gz NEHYSRBCHHYDBM-BXUZGUMPSA-N 0 0 379.309 2.335 10 0 GEAERN NC(=O)[C@H](c1ccc(Br)cc1F)N1CCC[C@@H](Cn2cncn2)C1 ZINC000246649706 532542950 /nfs/dbraw/zinc/54/29/50/532542950.db2.gz INOXDAIREHOXIJ-ABAIWWIYSA-N 0 0 396.264 2.118 10 0 GEAERN C[C@H](O)CN1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC000246224724 532534015 /nfs/dbraw/zinc/53/40/15/532534015.db2.gz VUQDPEBEHSNGAA-NEPJUHHUSA-N 0 0 381.325 2.210 10 0 GEAERN C[C@@H]1CCCN(S(=O)(=O)NC[C@H](c2cccs2)N2CCO[C@@H](C)C2)C1 ZINC000248342950 532551855 /nfs/dbraw/zinc/55/18/55/532551855.db2.gz JWNZMOPKKQYKOL-OWCLPIDISA-N 0 0 387.571 2.076 10 0 GEAERN CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC000248888964 532557379 /nfs/dbraw/zinc/55/73/79/532557379.db2.gz RIJJSAKUFRFWAL-QWRGUYRKSA-N 0 0 390.864 2.425 10 0 GEAERN COCCN1CCN(C(=O)[C@H](C)Oc2ccccc2Br)C[C@H]1C ZINC000247255220 532546059 /nfs/dbraw/zinc/54/60/59/532546059.db2.gz YBKUBLVMRXPRIB-KGLIPLIRSA-N 0 0 385.302 2.396 10 0 GEAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(c2ccnc3cc(Br)ccc32)CCO1 ZINC000263396446 532624807 /nfs/dbraw/zinc/62/48/07/532624807.db2.gz HTDXZYBEETWXGK-ZDUSSCGKSA-N 0 0 394.269 2.219 10 0 GEAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(c2ccnc3ccc(Br)cc32)CCO1 ZINC000263397087 532625244 /nfs/dbraw/zinc/62/52/44/532625244.db2.gz HWSBKXGQWFUMDQ-ZDUSSCGKSA-N 0 0 394.269 2.219 10 0 GEAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(c2ccnc3ccc(Br)cc32)CCO1 ZINC000263397086 532625551 /nfs/dbraw/zinc/62/55/51/532625551.db2.gz HWSBKXGQWFUMDQ-CYBMUJFWSA-N 0 0 394.269 2.219 10 0 GEAERN Cc1cc(Br)c(CN2CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C2)s1 ZINC000263526903 532628072 /nfs/dbraw/zinc/62/80/72/532628072.db2.gz UKNVMDPKXHGNBP-NSHDSACASA-N 0 0 377.304 2.036 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC000263514744 532628347 /nfs/dbraw/zinc/62/83/47/532628347.db2.gz ZFBLQMDWAIYSJR-UHFFFAOYSA-N 0 0 399.271 2.348 10 0 GEAERN CO[C@H]1C[C@@H](CO)N(C(=O)c2cc(Br)cc(Br)c2)C1 ZINC000394033664 532710764 /nfs/dbraw/zinc/71/07/64/532710764.db2.gz RVIFWXAMOZLAKB-RYUDHWBXSA-N 0 0 393.075 2.433 10 0 GEAERN CCCc1nnc(N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)s1 ZINC000301684302 532757186 /nfs/dbraw/zinc/75/71/86/532757186.db2.gz UXVCUVTZYPQELG-UHFFFAOYSA-N 0 0 382.511 2.010 10 0 GEAERN CC(C)Cn1cnnc1[C@H]1CCCN1c1cnn(C)c(=O)c1Br ZINC000301334752 532748355 /nfs/dbraw/zinc/74/83/55/532748355.db2.gz BRKSCUXECOSHHZ-LLVKDONJSA-N 0 0 381.278 2.132 10 0 GEAERN COC(=O)c1sc(N2CCC[C@@H](C(=O)NCC(F)(F)F)C2)nc1Cl ZINC000301463030 532751839 /nfs/dbraw/zinc/75/18/39/532751839.db2.gz JYBOIYKOAVHDKU-SSDOTTSWSA-N 0 0 385.795 2.478 10 0 GEAERN CCS[C@@H]1CC[C@@]1(O)CNc1ccc(S(N)(=O)=O)cc1C(F)(F)F ZINC000301479890 532752344 /nfs/dbraw/zinc/75/23/44/532752344.db2.gz DDFPSBGHWHMAOC-CHWSQXEVSA-N 0 0 384.445 2.411 10 0 GEAERN Cc1csc2ncnc(N3C[C@@H](C(F)(F)F)[C@H](S(=O)(=O)N(C)C)C3)c12 ZINC000413299056 532809322 /nfs/dbraw/zinc/80/93/22/532809322.db2.gz TXMGZJSBEPIYGT-NXEZZACHSA-N 0 0 394.444 2.258 10 0 GEAERN Cc1ccc2c(c1)N(CC(=O)N1CCN(c3ccccc3)CC1)C(=O)[C@@H](C)O2 ZINC000001362214 212238300 /nfs/dbraw/zinc/23/83/00/212238300.db2.gz WJOGUSNYFGSJQY-QGZVFWFLSA-N 0 0 379.460 2.458 10 0 GEAERN O=c1/c(=C\c2cccc(F)c2)sc2nc(=O)c(Cc3ccccc3Cl)nn12 ZINC000033339605 212160439 /nfs/dbraw/zinc/16/04/39/212160439.db2.gz RZHIUHVUKRCHBM-CXUHLZMHSA-N 0 0 399.834 2.442 10 0 GEAERN COc1ccc(C[C@H]2COC(=O)[C@]2(O)Cc2ccc(O)c(OC)c2)cc1OC ZINC000003589244 220657686 /nfs/dbraw/zinc/65/76/86/220657686.db2.gz YFVZKLQNMNKWSB-BTYIYWSLSA-N 0 0 388.416 2.107 10 0 biogenic,in-vitro GEAERN CC(C)(C)n1nc2c(c1NC(=O)COc1ccc(F)cc1)CS(=O)(=O)C2 ZINC000005077911 220826901 /nfs/dbraw/zinc/82/69/01/220826901.db2.gz ZBBFGDHZRNKVQP-UHFFFAOYSA-N 0 0 381.429 2.223 10 0 GEAERN COCCn1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)N1CCCCCC1 ZINC000008582554 221044611 /nfs/dbraw/zinc/04/46/11/221044611.db2.gz AKRAWXRDCDFPFV-LJQANCHMSA-N 0 0 396.495 2.435 10 0 GEAERN Cc1ccc(NC(=O)CN2CCC3(CC2)N=C(c2ccccc2)C(=O)N3)cc1F ZINC000009526716 221084490 /nfs/dbraw/zinc/08/44/90/221084490.db2.gz XRUAOCCSECERLQ-UHFFFAOYSA-N 0 0 394.450 2.484 10 0 GEAERN CCOC(=O)CCNC(=O)N1CCc2ccc(NC(=O)c3ccncc3)cc2C1 ZINC000011842841 221132869 /nfs/dbraw/zinc/13/28/69/221132869.db2.gz CKGJFRCHAHLYHO-UHFFFAOYSA-N 0 0 396.447 2.355 10 0 GEAERN COCc1cc(CN(C)C(=O)[C@@H]2CCC(=O)N(CC3CCCCC3)C2)[nH]n1 ZINC000012301514 221177472 /nfs/dbraw/zinc/17/74/72/221177472.db2.gz HLTTYNOXRGDLPB-MRXNPFEDSA-N 0 0 376.501 2.333 10 0 GEAERN O=C(NCc1[nH]nc2c1CCC2)[C@@H]1CCC(=O)N(CCCc2ccccc2)C1 ZINC000012447557 221196664 /nfs/dbraw/zinc/19/66/64/221196664.db2.gz MYUPEQSJIQKAPA-QGZVFWFLSA-N 0 0 380.492 2.386 10 0 GEAERN C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@H](O)C=C1C[C@@H](OS(N)(=O)=O)CC[C@@]13C ZINC000013530391 221271928 /nfs/dbraw/zinc/27/19/28/221271928.db2.gz MNBRJVRSKWOGDJ-JIEICEMKSA-N 0 0 383.510 2.078 10 0 GEAERN CCOC(=O)c1nn(CCOC)c2c1CN(C(=O)c1cc3ccccc3[nH]1)CC2 ZINC000014539768 221312290 /nfs/dbraw/zinc/31/22/90/221312290.db2.gz QADQWJMLBUYKEI-UHFFFAOYSA-N 0 0 396.447 2.386 10 0 GEAERN COC(=O)[C@@H]1C[C@H](C(=O)NCc2nc(C)cs2)[C@H](c2ccccc2F)N1C ZINC000014955978 221320509 /nfs/dbraw/zinc/32/05/09/221320509.db2.gz YGJUFMVZYDNZAB-QRTARXTBSA-N 0 0 391.468 2.441 10 0 GEAERN O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CC(C(c2ccccc2)c2ccccc2)=NO1 ZINC000019113316 221397052 /nfs/dbraw/zinc/39/70/52/221397052.db2.gz QAFRVUMDZLYMEW-PKOBYXMFSA-N 0 0 398.484 2.267 10 0 GEAERN CCc1ccc(CNC(=O)[C@H]2CCc3nc(N4CCOCC4)ncc3C2)cc1 ZINC000096310477 136186314 /nfs/dbraw/zinc/18/63/14/136186314.db2.gz LCZFXCDEUHGOTL-SFHVURJKSA-N 0 0 380.492 2.297 10 0 GEAERN CCOCCCNC(=O)c1cc2n(n1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000021781576 221541956 /nfs/dbraw/zinc/54/19/56/221541956.db2.gz CEFMFWAYKMEITF-UHFFFAOYSA-N 0 0 388.443 2.225 10 0 GEAERN CCc1nnc2sc(SCC(=O)Nc3cc(C)ccc3C)nn2c1=O ZINC000028561857 221680068 /nfs/dbraw/zinc/68/00/68/221680068.db2.gz BQDWZEBHYHXDGA-UHFFFAOYSA-N 0 0 375.479 2.456 10 0 GEAERN CCNC(=O)N1C[C@H](C(=O)NC2CC2)C[C@@H](c2ccc(OC)c(OC)c2)C1 ZINC000034710632 221801476 /nfs/dbraw/zinc/80/14/76/221801476.db2.gz ULGZFTUTYPYVBO-HUUCEWRRSA-N 0 0 375.469 2.117 10 0 GEAERN COc1ccc(Cl)cc1S(=O)(=O)N1CCN(CC(=O)C(C)(C)C)CC1 ZINC000036227806 221848540 /nfs/dbraw/zinc/84/85/40/221848540.db2.gz FWSNTJUSDVRKID-UHFFFAOYSA-N 0 0 388.917 2.270 10 0 GEAERN CCCCS(=O)(=O)c1cc2c(cc1NC(=O)c1ccco1)n(C)c(=O)n2C ZINC000046146134 221972491 /nfs/dbraw/zinc/97/24/91/221972491.db2.gz KUUXTVJDRXNQIM-UHFFFAOYSA-N 0 0 391.449 2.296 10 0 GEAERN CC(=O)N1CCc2cc(N3C[C@@H](C(=O)N[C@H](C)c4cccnc4)CC3=O)ccc21 ZINC000065195297 222109170 /nfs/dbraw/zinc/10/91/70/222109170.db2.gz KQXWCSURFYPUIC-KDOFPFPSSA-N 0 0 392.459 2.221 10 0 GEAERN CCOC(=O)CC1=CC(=O)N(CC(=O)NCc2ccco2)c2ccccc2N1 ZINC000064869306 222086183 /nfs/dbraw/zinc/08/61/83/222086183.db2.gz AFMUSUDLYFBCBR-UHFFFAOYSA-N 0 0 383.404 2.192 10 0 GEAERN O=C(NCc1cccnc1)c1nc(-c2cn(-c3cccc(Cl)c3)nn2)no1 ZINC000065236940 222115209 /nfs/dbraw/zinc/11/52/09/222115209.db2.gz IUXBMFUIZWTZIT-UHFFFAOYSA-N 0 0 381.783 2.296 10 0 GEAERN CCN(CC)C(=O)N1CC[C@@]2(C1)CCCN(Cc1cnc(COC)nc1)C2 ZINC000067866815 222163226 /nfs/dbraw/zinc/16/32/26/222163226.db2.gz VMXNLGOHXLNOTB-FQEVSTJZSA-N 0 0 375.517 2.373 10 0 GEAERN CCc1ccc([C@]2(Cc3ccc(OC)c(OC)c3OC)NC(N)=NC2=O)cc1 ZINC000071974373 222201489 /nfs/dbraw/zinc/20/14/89/222201489.db2.gz PFGOYCXRTOMSJQ-NRFANRHFSA-N 0 0 383.448 2.157 10 0 GEAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)NCc2ccccc2Br)C1 ZINC000085348038 222324191 /nfs/dbraw/zinc/32/41/91/222324191.db2.gz ZFVJATAXXRKENM-OCCSQVGLSA-N 0 0 399.285 2.293 10 0 GEAERN COc1ccc(NC(=O)c2nnn3c2c(=O)[nH]c2cc(C)ccc23)c(OC)c1 ZINC000096400228 222420832 /nfs/dbraw/zinc/42/08/32/222420832.db2.gz XVBCAGYGWKXDGM-UHFFFAOYSA-N 0 0 379.376 2.149 10 0 GEAERN Cc1[nH]c(C)c(S(=O)(=O)NC[C@H]2CCCO2)c1-c1nnc(C2CCC2)o1 ZINC000096379706 222415914 /nfs/dbraw/zinc/41/59/14/222415914.db2.gz XVPYYAIGIYGHNV-CYBMUJFWSA-N 0 0 380.470 2.406 10 0 GEAERN COCc1cc(N2CC[NH+](CC(=O)[O-])CC2)nc(-c2cccc(Cl)c2)n1 ZINC000073685662 522928642 /nfs/dbraw/zinc/92/86/42/522928642.db2.gz UMJBQODIEIOYAC-UHFFFAOYSA-N 0 0 376.844 2.150 10 0 GEAERN O=C(NCCc1ccccc1)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 ZINC000020113401 570241402 /nfs/dbraw/zinc/24/14/02/570241402.db2.gz XMSJWPKHWOLGJU-JPAWQOSXSA-N 0 0 394.496 2.389 10 0 GEAERN COCCCN(Cc1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)C[C@@H](C)O ZINC000036161550 570556274 /nfs/dbraw/zinc/55/62/74/570556274.db2.gz COTMLPCXDIORPL-CHWSQXEVSA-N 0 0 379.526 2.329 10 0 GEAERN C[C@H]1Cc2cc(S(=O)(=O)N[C@H]3CCO[C@@H]3c3cnn(C)c3)cc(Cl)c2O1 ZINC000189199946 570747198 /nfs/dbraw/zinc/74/71/98/570747198.db2.gz ZBWAEXTXAYGTQS-GLZQIGESSA-N 0 0 397.884 2.205 10 0 GEAERN CCCNC(=O)[C@@H]1CCc2nc(N3CCN(C(=O)C(C)C)CC3)sc2C1 ZINC000065273586 570779502 /nfs/dbraw/zinc/77/95/02/570779502.db2.gz ZCGFUHMFOZYARL-CQSZACIVSA-N 0 0 378.542 2.079 10 0 GEAERN COc1ccc2c(c1)[C@]1(C[C@@H]1C(=O)N1CCN(C(=O)c3ccoc3)CC1)CCO2 ZINC000583616723 570801484 /nfs/dbraw/zinc/80/14/84/570801484.db2.gz ISJLIQKCSCNQAL-XMSQKQJNSA-N 0 0 396.443 2.313 10 0 GEAERN Cn1cc([C@H]2CN(S(=O)(=O)c3ccc(Cl)c4ncccc34)CCO2)cn1 ZINC000583623886 570801873 /nfs/dbraw/zinc/80/18/73/570801873.db2.gz FMWRBHYWDXUJNO-OAHLLOKOSA-N 0 0 392.868 2.384 10 0 GEAERN O=C(NC1CC1)[C@@H]1CN(C(=O)NCc2cccc(F)c2)CC12CCOCC2 ZINC000097096563 570892091 /nfs/dbraw/zinc/89/20/91/570892091.db2.gz UNNPHUSOFZFTJQ-KRWDZBQOSA-N 0 0 375.444 2.043 10 0 GEAERN COCCCN1CC2(CC1=O)CCN(C(=O)c1noc3c1CCCC3)CC2 ZINC000095355498 571052051 /nfs/dbraw/zinc/05/20/51/571052051.db2.gz KKNWVUKKBWWXPD-UHFFFAOYSA-N 0 0 375.469 2.045 10 0 GEAERN C[C@H](NC(=O)[C@H]1CCCCN1S(C)(=O)=O)c1ccccc1Br ZINC000025742607 642427107 /nfs/dbraw/zinc/42/71/07/642427107.db2.gz QOKIRIISHBGFHU-SMDDNHRTSA-N 0 0 389.315 2.440 10 0 GEAERN CCC[C@H]([NH2+]CC(=O)Nc1ccc(I)cc1C)C(=O)[O-] ZINC000036840174 642510994 /nfs/dbraw/zinc/51/09/94/642510994.db2.gz GMGPYQBDCCKZOW-LBPRGKRZSA-N 0 0 390.221 2.381 10 0 GEAERN NS(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000045614264 642592296 /nfs/dbraw/zinc/59/22/96/642592296.db2.gz VIEFJEGCHVDCGF-BDAKNGLRSA-N 0 0 385.433 2.316 10 0 GEAERN C[C@H](CNC(=O)N(C)Cc1csc(Br)c1)N1CCOCC1 ZINC000057483341 642813667 /nfs/dbraw/zinc/81/36/67/642813667.db2.gz WBGUNDLSJRHPGX-LLVKDONJSA-N 0 0 376.320 2.373 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc(-c2ccccn2)cs1 ZINC000070709223 643052026 /nfs/dbraw/zinc/05/20/26/643052026.db2.gz ZULNNSNHHTWZHY-CQSZACIVSA-N 0 0 380.495 2.348 10 0 GEAERN C[C@@H](C(=O)Nc1ccccc1Br)N1CCO[C@H](Cn2cccn2)C1 ZINC000106190811 643224874 /nfs/dbraw/zinc/22/48/74/643224874.db2.gz KDNKAFIOZMMXMY-KBPBESRZSA-N 0 0 393.285 2.374 10 0 GEAERN O[C@H](COc1c(Cl)cccc1Cl)CN1CCO[C@H](Cn2cccn2)C1 ZINC000106191453 643224992 /nfs/dbraw/zinc/22/49/92/643224992.db2.gz PSDCWUZWBAHPRE-KBPBESRZSA-N 0 0 386.279 2.331 10 0 GEAERN Cc1cnn(C[C@H]2CN(CC(=O)Nc3ccccc3Br)CCO2)c1 ZINC000106196634 643225655 /nfs/dbraw/zinc/22/56/55/643225655.db2.gz RXZRULGCKOZIGG-CQSZACIVSA-N 0 0 393.285 2.294 10 0 GEAERN C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000106193633 643225674 /nfs/dbraw/zinc/22/56/74/643225674.db2.gz HUMWEQLJASJVKA-CJNGLKHVSA-N 0 0 393.285 2.374 10 0 GEAERN Brc1cc2c(cc1CN1CCO[C@H](Cn3cccn3)C1)OCO2 ZINC000106192119 643225682 /nfs/dbraw/zinc/22/56/82/643225682.db2.gz AIUKWAZZPDFJCR-ZDUSSCGKSA-N 0 0 380.242 2.275 10 0 GEAERN O=C(c1cc(Br)ccc1O)N1CCCN(c2cccnn2)CC1 ZINC000109628527 643298250 /nfs/dbraw/zinc/29/82/50/643298250.db2.gz IFFKHZZKCSACTO-UHFFFAOYSA-N 0 0 377.242 2.297 10 0 GEAERN O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CCO[C@H](c2nccs2)C1 ZINC000110880645 643321932 /nfs/dbraw/zinc/32/19/32/643321932.db2.gz LASFUQGRWVFYEX-ZDUSSCGKSA-N 0 0 386.882 2.170 10 0 GEAERN O=C(c1ccc(I)cc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111089423 643326448 /nfs/dbraw/zinc/32/64/48/643326448.db2.gz CZYOETSFMUIDRM-CQSZACIVSA-N 0 0 397.216 2.029 10 0 GEAERN O=c1ccc2cc(S(=O)(=O)N3CCO[C@@H](c4nccs4)C3)ccc2o1 ZINC000111343540 643334945 /nfs/dbraw/zinc/33/49/45/643334945.db2.gz LVXGONBPCZLVSI-CQSZACIVSA-N 0 0 378.431 2.012 10 0 GEAERN Cc1noc([C@@H](C)N2CCN(S(=O)(=O)c3ccc(C)cc3Cl)CC2)n1 ZINC000111344604 643335447 /nfs/dbraw/zinc/33/54/47/643335447.db2.gz NPUITOHVTCBZFS-GFCCVEGCSA-N 0 0 384.889 2.407 10 0 GEAERN O=C(Nc1nnc(-c2ccsc2)s1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111734604 643346011 /nfs/dbraw/zinc/34/60/11/643346011.db2.gz PSLMYBZAXAVEMS-LBPRGKRZSA-N 0 0 376.467 2.396 10 0 GEAERN C[C@H](NC(=O)N(C)CC(=O)N1CCOCC1)c1cccc(Br)c1 ZINC000111815343 643347070 /nfs/dbraw/zinc/34/70/70/643347070.db2.gz MRKNHTZQBWUABF-LBPRGKRZSA-N 0 0 384.274 2.010 10 0 GEAERN O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1ccc(SC(F)(F)F)cc1 ZINC000113299037 643392493 /nfs/dbraw/zinc/39/24/93/643392493.db2.gz XNONPVSHSWEBCZ-SECBINFHSA-N 0 0 378.401 2.183 10 0 GEAERN C[C@@H](NC(=O)NCCN1C(=O)CNC1=O)c1c(Cl)ccc(F)c1Cl ZINC000113378720 643395367 /nfs/dbraw/zinc/39/53/67/643395367.db2.gz YJNFSIKGMXCUHU-SSDOTTSWSA-N 0 0 377.203 2.045 10 0 GEAERN O=C(c1cc(I)c[nH]1)N1CCC(Nc2cccnn2)CC1 ZINC000115372137 643437816 /nfs/dbraw/zinc/43/78/16/643437816.db2.gz BITZKXLMJWFBLD-UHFFFAOYSA-N 0 0 397.220 2.126 10 0 GEAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)Cc2sc(=S)[nH]c2C)CC1 ZINC000115390425 643437870 /nfs/dbraw/zinc/43/78/70/643437870.db2.gz DOJAUQWVCORONY-UHFFFAOYSA-N 0 0 379.555 2.351 10 0 GEAERN Cn1cc([C@H]2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)C2)cn1 ZINC000116370006 643461077 /nfs/dbraw/zinc/46/10/77/643461077.db2.gz YVOQFUGROWSUCA-NSHDSACASA-N 0 0 375.372 2.497 10 0 GEAERN Cn1cc([C@H]2CCN(C(=O)c3cc(I)ccc3O)C2)cn1 ZINC000116466483 643464226 /nfs/dbraw/zinc/46/42/26/643464226.db2.gz LJKLCEGJSKVTEI-JTQLQIEISA-N 0 0 397.216 2.360 10 0 GEAERN COCCN1CCN(C(=O)[C@@H](C)Oc2ccccc2Br)C[C@H]1C ZINC000117288463 643486798 /nfs/dbraw/zinc/48/67/98/643486798.db2.gz YBKUBLVMRXPRIB-ZIAGYGMSSA-N 0 0 385.302 2.396 10 0 GEAERN Cc1cnn(CCNC(=O)CSc2nncn2-c2cccc(Cl)c2)c1 ZINC000117813668 643499280 /nfs/dbraw/zinc/49/92/80/643499280.db2.gz RXQAZYQZVKQDKW-UHFFFAOYSA-N 0 0 376.873 2.334 10 0 GEAERN CN(C)C(=O)[C@H]1CCCN1C(=O)Nc1cccc(I)c1 ZINC000118791637 643522271 /nfs/dbraw/zinc/52/22/71/643522271.db2.gz AFHRRBWRNAQJLD-GFCCVEGCSA-N 0 0 387.221 2.376 10 0 GEAERN C[C@H](NC(=O)NC[C@H]1CCCN1S(C)(=O)=O)c1ccc(F)c(Cl)c1 ZINC000119085989 643533984 /nfs/dbraw/zinc/53/39/84/643533984.db2.gz RYELEJATOGGAGJ-CMPLNLGQSA-N 0 0 377.869 2.263 10 0 GEAERN O=C(NCCNS(=O)(=O)c1cccs1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000119861890 643575904 /nfs/dbraw/zinc/57/59/04/643575904.db2.gz YHNGVFHNPFMYSF-GHMZBOCLSA-N 0 0 399.460 2.447 10 0 GEAERN Cc1noc([C@@H](C)N2CCN(C(=O)Nc3cccnc3Br)CC2)n1 ZINC000119871231 643576526 /nfs/dbraw/zinc/57/65/26/643576526.db2.gz LZJVDUOALVBOGC-SNVBAGLBSA-N 0 0 395.261 2.446 10 0 GEAERN COC(=O)[C@H](O)C1CCN(C(=O)N[C@H](C)c2ccccc2Br)CC1 ZINC000120074060 643590389 /nfs/dbraw/zinc/59/03/89/643590389.db2.gz AADNFIGIBZXABA-IAQYHMDHSA-N 0 0 399.285 2.466 10 0 GEAERN Cc1ccc(I)cc1C(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000125205928 643703770 /nfs/dbraw/zinc/70/37/70/643703770.db2.gz CIORTRMMQDVHKT-CYBMUJFWSA-N 0 0 386.233 2.292 10 0 GEAERN CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000126028922 643718996 /nfs/dbraw/zinc/71/89/96/643718996.db2.gz GNSVVBVNPQGYSB-GXTWGEPZSA-N 0 0 396.264 2.393 10 0 GEAERN CCc1nc2n(n1)CCC[C@H]2N[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000126048768 643720048 /nfs/dbraw/zinc/72/00/48/643720048.db2.gz IKHUYMCELHJGKD-OCCSQVGLSA-N 0 0 378.274 2.254 10 0 GEAERN O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CCC(Cn2cccn2)CC1 ZINC000126560315 643735358 /nfs/dbraw/zinc/73/53/58/643735358.db2.gz VYHABQAZRDDEDM-UHFFFAOYSA-N 0 0 381.885 2.249 10 0 GEAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cncc(I)c1 ZINC000126589255 643736411 /nfs/dbraw/zinc/73/64/11/643736411.db2.gz RVUQWRFNWJZEBD-VIFPVBQESA-N 0 0 390.221 2.488 10 0 GEAERN Cc1ccc(Cl)c(S(=O)(=O)N2CCCN(Cc3cnn(C)c3)CC2)c1 ZINC000127497334 643778033 /nfs/dbraw/zinc/77/80/33/643778033.db2.gz ISQUPBSMBJCTFB-UHFFFAOYSA-N 0 0 382.917 2.279 10 0 GEAERN CSc1ccc(S(=O)(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000128399267 643801074 /nfs/dbraw/zinc/80/10/74/643801074.db2.gz QRLOIOLDYJQCJR-CQSZACIVSA-N 0 0 378.523 2.488 10 0 GEAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000130295691 643833661 /nfs/dbraw/zinc/83/36/61/643833661.db2.gz LSIOGZUIGRKAJG-NXEZZACHSA-N 0 0 376.272 2.102 10 0 GEAERN O=C(N[C@H]1CCCC[C@@H]1CO)C(=O)N1CCc2ccc(Br)cc21 ZINC000130642043 643845999 /nfs/dbraw/zinc/84/59/99/643845999.db2.gz BFEAFTWUNGTCDF-OCCSQVGLSA-N 0 0 381.270 2.006 10 0 GEAERN C[C@@H](OC(=O)c1cn(CC(=O)N(C)C)nn1)c1ccc(Br)cc1F ZINC000131093851 643863381 /nfs/dbraw/zinc/86/33/81/643863381.db2.gz LSWQZIBXCRTCAQ-SECBINFHSA-N 0 0 399.220 2.186 10 0 GEAERN Cc1noc([C@@H](C)N2CCN(Cn3nc(OC(C)C)sc3=S)CC2)n1 ZINC000152641943 643971188 /nfs/dbraw/zinc/97/11/88/643971188.db2.gz GCQGXWPMCRLXOR-LLVKDONJSA-N 0 0 384.531 2.489 10 0 GEAERN Cc1cnn([C@@H]2CCCN(Cn3nc(N4CCOCC4)sc3=S)C2)c1 ZINC000152913383 643975419 /nfs/dbraw/zinc/97/54/19/643975419.db2.gz BZDCLFANEGJRNG-CQSZACIVSA-N 0 0 380.543 2.310 10 0 GEAERN COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2Cn2ccnc2)ccc1Cl ZINC000156848000 644121341 /nfs/dbraw/zinc/12/13/41/644121341.db2.gz ONUAEZKGCHTICR-GFCCVEGCSA-N 0 0 383.857 2.176 10 0 GEAERN COc1ccc(Br)c(CC(=O)N2CCOC[C@H]2c2nc(C)no2)c1 ZINC000158934228 644169160 /nfs/dbraw/zinc/16/91/60/644169160.db2.gz MQLZNZHOKXYLOA-AWEZNQCLSA-N 0 0 396.241 2.292 10 0 GEAERN C[NH+](C)[C@H]1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)C1 ZINC000170865664 644293577 /nfs/dbraw/zinc/29/35/77/644293577.db2.gz ZDHKPMWMAWZVDA-HNNXBMFYSA-N 0 0 379.507 2.325 10 0 GEAERN C[C@H]1C[C@H]1NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000171062259 644305454 /nfs/dbraw/zinc/30/54/54/644305454.db2.gz SKKXFHMNUMDKQO-SWLSCSKDSA-N 0 0 380.491 2.477 10 0 GEAERN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(I)cc2)CCS1 ZINC000171471648 644324517 /nfs/dbraw/zinc/32/45/17/644324517.db2.gz ZZUHRWWICAMTNI-SECBINFHSA-N 0 0 390.246 2.194 10 0 GEAERN C[C@H]1CN(Cn2nc(-c3cccs3)n(CCC(N)=O)c2=S)CCS1 ZINC000171605766 644329823 /nfs/dbraw/zinc/32/98/23/644329823.db2.gz KPVFCTHDVQERNN-NSHDSACASA-N 0 0 383.568 2.413 10 0 GEAERN S=c1n(CCc2cccs2)cnn1CN1CC[C@@H](N2CCOCC2)C1 ZINC000172959467 644347601 /nfs/dbraw/zinc/34/76/01/644347601.db2.gz ABVXOUYGNQNICU-OAHLLOKOSA-N 0 0 379.555 2.082 10 0 GEAERN CS(=O)(=O)CCn1ccc(NC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000173961864 644365243 /nfs/dbraw/zinc/36/52/43/644365243.db2.gz AQZAXTYBGFXWDA-GHMZBOCLSA-N 0 0 382.408 2.170 10 0 GEAERN C[C@@H](NC(=O)NCCOCCS(C)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000174553194 644377028 /nfs/dbraw/zinc/37/70/28/644377028.db2.gz CEXRPJDLXXXTJC-SNVBAGLBSA-N 0 0 383.297 2.415 10 0 GEAERN C[C@@H](NC(=O)C(=O)Nc1c(F)cc(Br)cc1F)[C@@H]1CCCO1 ZINC000174654033 644379514 /nfs/dbraw/zinc/37/95/14/644379514.db2.gz OYMKPXBVWNUORS-HQJQHLMTSA-N 0 0 377.185 2.350 10 0 GEAERN C[C@@H](NC(=O)C(=O)Nc1c(F)cc(Br)cc1F)[C@H]1CCCO1 ZINC000174654056 644379600 /nfs/dbraw/zinc/37/96/00/644379600.db2.gz OYMKPXBVWNUORS-RDDDGLTNSA-N 0 0 377.185 2.350 10 0 GEAERN C[C@@H]1CN=C(N2CCN(C[C@H](O)COCc3ccc(Cl)cc3)CC2)S1 ZINC000175801304 644394342 /nfs/dbraw/zinc/39/43/42/644394342.db2.gz PEOSZQHDSSPTMW-PBHICJAKSA-N 0 0 383.945 2.326 10 0 GEAERN CC(=O)N1CCN(C(=O)CN2CCCCc3cc(Br)ccc32)CC1 ZINC000179465084 644461749 /nfs/dbraw/zinc/46/17/49/644461749.db2.gz PILRWASKVAMPTE-UHFFFAOYSA-N 0 0 394.313 2.283 10 0 GEAERN C[C@@H](C(=O)Nc1ccccc1Cl)S(=O)(=O)Cc1nnc(C2CC2)n1C ZINC000180067902 644486708 /nfs/dbraw/zinc/48/67/08/644486708.db2.gz PNEZUCFXLGWCSD-JTQLQIEISA-N 0 0 382.873 2.288 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)Nc3ccc(Br)nc3C)CCO2)[nH]1 ZINC000181299802 644530250 /nfs/dbraw/zinc/53/02/50/644530250.db2.gz JVTLNNRKFULWGV-NSHDSACASA-N 0 0 381.234 2.184 10 0 GEAERN CNC(=O)CCCC(=O)N[C@@H](CC(=O)OC)c1cccc(Br)c1 ZINC000183471498 644993898 /nfs/dbraw/zinc/99/38/98/644993898.db2.gz WTKZCWAVTFJYLK-ZDUSSCGKSA-N 0 0 385.258 2.086 10 0 GEAERN C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000185151090 645036972 /nfs/dbraw/zinc/03/69/72/645036972.db2.gz VJGIOYGGDNTLNP-NXEZZACHSA-N 0 0 376.837 2.035 10 0 GEAERN CCCCC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187620680 645095316 /nfs/dbraw/zinc/09/53/16/645095316.db2.gz PVJRCRWPZMTVIQ-HRCADAONSA-N 0 0 382.551 2.374 10 0 GEAERN Cc1cnn(C[C@H]2CN(S(=O)(=O)c3cc(C)c(Cl)s3)CCO2)c1 ZINC000187913840 645100070 /nfs/dbraw/zinc/10/00/70/645100070.db2.gz WTPAGRMMIWVCEJ-LBPRGKRZSA-N 0 0 375.903 2.305 10 0 GEAERN COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(C)c(Cl)s1 ZINC000188106334 645108003 /nfs/dbraw/zinc/10/80/03/645108003.db2.gz JSNHMMRUFUYTKM-VIFPVBQESA-N 0 0 376.891 2.261 10 0 GEAERN O=C(c1ncc(Br)s1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000188935514 645129507 /nfs/dbraw/zinc/12/95/07/645129507.db2.gz GLLRLLZHUIXDMF-CYBMUJFWSA-N 0 0 396.310 2.397 10 0 GEAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3ncc(Br)s3)CCO2)n1 ZINC000192419018 645203865 /nfs/dbraw/zinc/20/38/65/645203865.db2.gz SRCJYMWFVNMITK-NSHDSACASA-N 0 0 385.287 2.260 10 0 GEAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1Br ZINC000193224174 645252985 /nfs/dbraw/zinc/25/29/85/645252985.db2.gz KWJJHHNKMVRXSJ-OAHLLOKOSA-N 0 0 376.254 2.345 10 0 GEAERN C[C@@H](NC(=O)NCCCOCC(F)(F)F)c1ccc(S(C)(=O)=O)cc1 ZINC000193236985 645253924 /nfs/dbraw/zinc/25/39/24/645253924.db2.gz QKSMDPXACVZBDD-LLVKDONJSA-N 0 0 382.404 2.419 10 0 GEAERN CC[C@@H](CNC(=O)[C@H]1C[C@@H](O)CN1C(C)=O)Cc1cccc(Br)c1 ZINC000193304660 645264809 /nfs/dbraw/zinc/26/48/09/645264809.db2.gz OTTACWFJVOPCJY-KBRIMQKVSA-N 0 0 397.313 2.116 10 0 GEAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000193839553 645303896 /nfs/dbraw/zinc/30/38/96/645303896.db2.gz OKAGNPCMIJBHJI-OWCLPIDISA-N 0 0 399.260 2.233 10 0 GEAERN O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCC[C@@H](n2cncn2)C1 ZINC000194263697 645320399 /nfs/dbraw/zinc/32/03/99/645320399.db2.gz AETFAYJOPAZJGU-HIFRSBDPSA-N 0 0 377.242 2.208 10 0 GEAERN O=C([C@H]1Cc2cc(Br)ccc2O1)N1CCC[C@H](n2cncn2)C1 ZINC000194263653 645320569 /nfs/dbraw/zinc/32/05/69/645320569.db2.gz AETFAYJOPAZJGU-DZGCQCFKSA-N 0 0 377.242 2.208 10 0 GEAERN CC(C)c1nnc(CSc2ccc(S(=O)(=O)N3CCCC3)cn2)n1C ZINC000194680163 645342175 /nfs/dbraw/zinc/34/21/75/645342175.db2.gz DKLWOBKXMMTSPP-UHFFFAOYSA-N 0 0 381.527 2.410 10 0 GEAERN CS(=O)(=O)Cc1cccc(CNS(=O)(=O)c2c(F)cc(F)cc2F)c1 ZINC000195014405 645354777 /nfs/dbraw/zinc/35/47/77/645354777.db2.gz AXDHXLSYODXZGZ-UHFFFAOYSA-N 0 0 393.408 2.127 10 0 GEAERN CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000195354432 645374436 /nfs/dbraw/zinc/37/44/36/645374436.db2.gz DLLSATGJFOSRMI-LBPRGKRZSA-N 0 0 386.470 2.082 10 0 GEAERN COCCOc1cc(C(=O)NCC(=O)N(C)C)cc2oc(Br)cc21 ZINC000223646222 645386953 /nfs/dbraw/zinc/38/69/53/645386953.db2.gz WHIGQYXDRBBRSG-UHFFFAOYSA-N 0 0 399.241 2.039 10 0 GEAERN C[C@@H](Cn1cc(Cl)cn1)C(=O)N1CCn2c(nnc2C(F)(F)F)[C@@H]1C ZINC000223502243 645387193 /nfs/dbraw/zinc/38/71/93/645387193.db2.gz PAWDSYQXSVQLIA-IUCAKERBSA-N 0 0 376.770 2.386 10 0 GEAERN CCN1CCN(C(=O)c2cc3oc(Br)cc3n2CCOC)CC1 ZINC000223714770 645387699 /nfs/dbraw/zinc/38/76/99/645387699.db2.gz DXOIYIXUQLOBHS-UHFFFAOYSA-N 0 0 384.274 2.421 10 0 GEAERN CCN1CCO[C@H](CNC(=O)c2cccc(C)c2I)C1 ZINC000227203655 645392427 /nfs/dbraw/zinc/39/24/27/645392427.db2.gz LTTSESKVJMNBCC-GFCCVEGCSA-N 0 0 388.249 2.050 10 0 GEAERN COC(=O)[C@@H]1CCCCN1C(=O)c1ccc(I)c(O)c1 ZINC000230890300 645401266 /nfs/dbraw/zinc/40/12/66/645401266.db2.gz ASRSOHOOZJBOFH-NSHDSACASA-N 0 0 389.189 2.165 10 0 GEAERN O=C(N[C@@H]1CCCCC[C@H]1O)c1ccc(I)c(O)c1 ZINC000236543400 645411294 /nfs/dbraw/zinc/41/12/94/645411294.db2.gz RDDBUNSUOFJTPE-VXGBXAGGSA-N 0 0 375.206 2.420 10 0 GEAERN COCCN1CCN(C(=O)[C@H]2COc3ccc(Br)cc32)C[C@@H]1C ZINC000245622154 645462533 /nfs/dbraw/zinc/46/25/33/645462533.db2.gz FKBDUIAMQCSXOW-WFASDCNBSA-N 0 0 383.286 2.104 10 0 GEAERN CC(C)N1C[C@H](C)[C@H](NC(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C1 ZINC000246573480 645485158 /nfs/dbraw/zinc/48/51/58/645485158.db2.gz XRHCBMNOFNIGFF-WCQYABFASA-N 0 0 378.416 2.439 10 0 GEAERN COc1c(Br)c(C)sc1C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000247059491 645503317 /nfs/dbraw/zinc/50/33/17/645503317.db2.gz YXSZANYMDZPFRB-UWVGGRQHSA-N 0 0 391.331 2.355 10 0 GEAERN CC[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)CCN1C[C@H](C)O ZINC000247059142 645503334 /nfs/dbraw/zinc/50/33/34/645503334.db2.gz NXOMPFLNHPHKQF-WCQYABFASA-N 0 0 388.295 2.236 10 0 GEAERN CC[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)CCN1C[C@H](C)O ZINC000247057891 645503418 /nfs/dbraw/zinc/50/34/18/645503418.db2.gz NXOMPFLNHPHKQF-AAEUAGOBSA-N 0 0 388.295 2.236 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)c2ccc(Br)s2)C[C@H]1C ZINC000247097593 645504995 /nfs/dbraw/zinc/50/49/95/645504995.db2.gz MKAJUOUNNLMOGU-LLVKDONJSA-N 0 0 397.360 2.242 10 0 GEAERN COCCN1CCN([C@H](C)C(=O)Nc2ccccc2Br)C[C@H]1C ZINC000247778373 645518030 /nfs/dbraw/zinc/51/80/30/645518030.db2.gz RFMKOAGLQNDDDM-ZIAGYGMSSA-N 0 0 384.318 2.429 10 0 GEAERN COCC[N@@H+]1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000247774075 645518102 /nfs/dbraw/zinc/51/81/02/645518102.db2.gz QAMVBBDDBKDGNP-UKRRQHHQSA-N 0 0 377.312 2.386 10 0 GEAERN O[C@H](COc1c(Cl)cccc1Cl)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000247773090 645518158 /nfs/dbraw/zinc/51/81/58/645518158.db2.gz PSDCWUZWBAHPRE-UONOGXRCSA-N 0 0 386.279 2.331 10 0 GEAERN CCCN(C(=O)[C@H](C)SC[C@@H](O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000248005769 645522621 /nfs/dbraw/zinc/52/26/21/645522621.db2.gz PPKWWFCUWDWWNK-USXIJHARSA-N 0 0 385.551 2.267 10 0 GEAERN CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000248848743 645542001 /nfs/dbraw/zinc/54/20/01/645542001.db2.gz AAGUPIVNGKYGOU-QWRGUYRKSA-N 0 0 390.864 2.425 10 0 GEAERN Cc1csc([C@H]2CN([C@H](C)C(=O)Nc3sccc3C(N)=O)CCO2)n1 ZINC000249807289 645561347 /nfs/dbraw/zinc/56/13/47/645561347.db2.gz BOCVLCFOVWFMQM-ZYHUDNBSSA-N 0 0 380.495 2.012 10 0 GEAERN C[NH2+][C@@H](C)C[N-]S(=O)(=O)c1scc(Br)c1Br ZINC000261787810 645600106 /nfs/dbraw/zinc/60/01/06/645600106.db2.gz QORFCALEDDMVEK-YFKPBYRVSA-N 0 0 392.138 2.159 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)c2cc(C)sc2Br)C1 ZINC000262730344 645642251 /nfs/dbraw/zinc/64/22/51/645642251.db2.gz UJYOTPLVIVGZLP-UHFFFAOYSA-N 0 0 375.288 2.486 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)CCc2cc(Br)cs2)C1 ZINC000262741346 645643650 /nfs/dbraw/zinc/64/36/50/645643650.db2.gz WLIWWZSWWKTFMP-UHFFFAOYSA-N 0 0 389.315 2.497 10 0 GEAERN Cc1cc(S(=O)(=O)N2CCC[C@@H]([N@H+](C)CC(=O)[O-])CC2)c(Cl)cc1F ZINC000262953753 645648822 /nfs/dbraw/zinc/64/88/22/645648822.db2.gz JEUYCAFAKMNCRT-GFCCVEGCSA-N 0 0 392.880 2.347 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)N(C)Cc2ccc(Br)o2)C1 ZINC000263378614 645663166 /nfs/dbraw/zinc/66/31/66/645663166.db2.gz CLRJBGZBYOVFMM-UHFFFAOYSA-N 0 0 388.262 2.121 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(Nc2ncccc2I)C1 ZINC000263566341 645668627 /nfs/dbraw/zinc/66/86/27/645668627.db2.gz WOUJGFMKUFDYQK-UHFFFAOYSA-N 0 0 375.210 2.036 10 0 GEAERN O=S(=O)(NC[C@@H]1CCn2ccnc2C1)c1cc(F)ccc1Br ZINC000328631656 647311606 /nfs/dbraw/zinc/31/16/06/647311606.db2.gz RFFKSMLVNPNIFA-SNVBAGLBSA-N 0 0 388.262 2.326 10 0 GEAERN O=[S@](CCN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)c1cc(Cl)ccc1Cl ZINC000329174285 647319186 /nfs/dbraw/zinc/31/91/86/647319186.db2.gz LRJWQBDOIWURRP-BWGXNBIRSA-N 0 0 382.334 2.220 10 0 GEAERN CCN1CCO[C@@H](CNCc2c(Br)cncc2Br)C1 ZINC000394530489 647896705 /nfs/dbraw/zinc/89/67/05/647896705.db2.gz ODSODAVMVUEZAV-JTQLQIEISA-N 0 0 393.123 2.417 10 0 GEAERN Cc1cc(I)ccc1NC(=O)CN1C[C@H](C)C[C@@H](O)C1 ZINC000401969763 647905023 /nfs/dbraw/zinc/90/50/23/647905023.db2.gz YGHIVRVKESSWDI-ZWNOBZJWSA-N 0 0 388.249 2.241 10 0 GEAERN C[C@H](NC(=O)c1cnc(Br)c(Br)c1)c1cn(C)nn1 ZINC000720537656 651476407 /nfs/dbraw/zinc/47/64/07/651476407.db2.gz VKNDXMAIMZMQML-LURJTMIESA-N 0 0 389.051 2.226 10 0 GEAERN CS(=O)(=O)c1ccsc1NC(=O)[C@@H](C[C@@H]1COCCO1)C(F)(F)F ZINC000606445021 651553393 /nfs/dbraw/zinc/55/33/93/651553393.db2.gz IXMZZXSRBQHASF-RKDXNWHRSA-N 0 0 387.401 2.074 10 0 GEAERN CS(=O)(=O)c1ccsc1NC(=O)[C@H](C[C@@H]1COCCO1)C(F)(F)F ZINC000606445018 651553777 /nfs/dbraw/zinc/55/37/77/651553777.db2.gz IXMZZXSRBQHASF-BDAKNGLRSA-N 0 0 387.401 2.074 10 0 GEAERN CN1C[C@H](CNC(=O)c2scc(Br)c2Br)CC1=O ZINC000628107716 652451493 /nfs/dbraw/zinc/45/14/93/652451493.db2.gz OVVAQNPURPVPTF-LURJTMIESA-N 0 0 396.104 2.481 10 0 GEAERN O=C(N[C@H]1CCOC[C@H]1O)c1scc(Br)c1Br ZINC000629240283 652481940 /nfs/dbraw/zinc/48/19/40/652481940.db2.gz QEUQJRYCJNLDEM-NKWVEPMBSA-N 0 0 385.077 2.153 10 0 GEAERN Cn1c(Cl)c(Cl)cc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000702797993 653320207 /nfs/dbraw/zinc/32/02/07/653320207.db2.gz RHEIBWNJUCSXSB-CABZTGNLSA-N 0 0 392.283 2.290 10 0 GEAERN Cc1[nH]nc(I)c1C(=O)N1CCC(c2ccnn2C)CC1 ZINC000896490261 653881451 /nfs/dbraw/zinc/88/14/51/653881451.db2.gz UJSOQLHSCWDKPJ-UHFFFAOYSA-N 0 0 399.236 2.076 10 0 GEAERN NC(=O)[C@H](c1ccc(Br)cc1)N1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000931120608 654729903 /nfs/dbraw/zinc/72/99/03/654729903.db2.gz BLFBVEDJJJOLHW-ZBFHGGJFSA-N 0 0 390.285 2.391 10 0 GEAERN CCn1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)c1ccnc(Cl)c1Cl ZINC000912529573 654758333 /nfs/dbraw/zinc/75/83/33/654758333.db2.gz MFNVNZVVKRJHBV-QMTHXVAHSA-N 0 0 382.251 2.355 10 0 GEAERN C[C@H](CCc1ccc(OS(=O)(=O)[O-])cc1)[NH2+]C[C@@H](O)c1ccc(O)cc1 ZINC000504409493 231317795 /nfs/dbraw/zinc/31/77/95/231317795.db2.gz NNKCOTNDZHALRJ-FZKQIMNGSA-N 0 0 381.450 2.218 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCc1ccc(OC)cc1Cl ZINC000151413501 531500000 /nfs/dbraw/zinc/50/00/00/531500000.db2.gz VPPIYNMVTAQJKK-MRXNPFEDSA-N 0 0 388.917 2.212 10 0 GEAERN C[C@H](NC(=O)N(C)C1CCN(S(C)(=O)=O)CC1)c1ccc(F)c(F)c1 ZINC000151557924 531510386 /nfs/dbraw/zinc/51/03/86/531510386.db2.gz HURBNBBJZVPDON-NSHDSACASA-N 0 0 375.441 2.091 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)Cc1cc(Br)cn1C ZINC000152040499 531527528 /nfs/dbraw/zinc/52/75/28/531527528.db2.gz BNBPMUSHXJIAGT-ZDUSSCGKSA-N 0 0 381.278 2.364 10 0 GEAERN C[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1Br ZINC000025903680 531615555 /nfs/dbraw/zinc/61/55/55/531615555.db2.gz BPZKWCMXAFDNEZ-NEPJUHHUSA-N 0 0 389.315 2.298 10 0 GEAERN CCOc1cc(Br)ccc1NC(=O)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000155270463 531670414 /nfs/dbraw/zinc/67/04/14/531670414.db2.gz UIVRYJYDGFLKNK-ZWNOBZJWSA-N 0 0 385.258 2.470 10 0 GEAERN COc1cc(C(=O)N2CCOC[C@H]2c2nc(C)no2)sc1Br ZINC000155379735 531681132 /nfs/dbraw/zinc/68/11/32/531681132.db2.gz BAFRBMUYEZOHQP-QMMMGPOBSA-N 0 0 388.243 2.424 10 0 GEAERN CN(C(=O)c1ccncc1Br)[C@@H]1CCCN(c2cccnn2)C1 ZINC000155489722 531685747 /nfs/dbraw/zinc/68/57/47/531685747.db2.gz OHJPVUQHEZODIM-GFCCVEGCSA-N 0 0 376.258 2.375 10 0 GEAERN Cn1cc(NC(=O)N2CCC(Cn3cccn3)CC2)cc(Br)c1=O ZINC000156136743 531717744 /nfs/dbraw/zinc/71/77/44/531717744.db2.gz KVZVJQSQWYOFFO-UHFFFAOYSA-N 0 0 394.273 2.288 10 0 GEAERN C[C@@H](NC(=O)Nc1cc(Br)c(=O)n(C)c1)C(=O)N1CCCC[C@@H]1C ZINC000156204974 531720726 /nfs/dbraw/zinc/72/07/26/531720726.db2.gz ZIAQCKHHUCERFG-WDEREUQCSA-N 0 0 399.289 2.059 10 0 GEAERN O=C(Nc1ccc(Cl)cc1)C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000056442249 531813059 /nfs/dbraw/zinc/81/30/59/531813059.db2.gz ZRCWUZRZNGUMGV-AWEZNQCLSA-N 0 0 378.837 2.313 10 0 GEAERN NS(=O)(=O)c1cccc(CNC(=O)N[C@@H]2CCc3cc(Cl)ccc32)c1 ZINC000056940869 531815270 /nfs/dbraw/zinc/81/52/70/531815270.db2.gz NVVBDCGZCUTLIV-MRXNPFEDSA-N 0 0 379.869 2.474 10 0 GEAERN Cn1cc([C@@H]2CCCN2C(=O)c2cncc(I)c2)cn1 ZINC000163284596 531855052 /nfs/dbraw/zinc/85/50/52/531855052.db2.gz YUSDOVILMLQUSU-ZDUSSCGKSA-N 0 0 382.205 2.397 10 0 GEAERN O=C(NCCS(=O)(=O)NCC1CCC1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000069046496 531908427 /nfs/dbraw/zinc/90/84/27/531908427.db2.gz HXAMUAYVXZZPBD-STQMWFEESA-N 0 0 385.452 2.126 10 0 GEAERN Cc1nc(CN2CCCN(C(=O)c3ccc(Br)cc3O)CC2)no1 ZINC000171759164 531913756 /nfs/dbraw/zinc/91/37/56/531913756.db2.gz OFTIXDNENFZMTG-UHFFFAOYSA-N 0 0 395.257 2.194 10 0 GEAERN CCc1nc([C@H](C)NC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cs1 ZINC000171822147 531918242 /nfs/dbraw/zinc/91/82/42/531918242.db2.gz XGJFETQYXBOJDG-MNOVXSKESA-N 0 0 382.511 2.474 10 0 GEAERN Cc1nc(CN2CCCN(C(=O)c3cc(Br)ccc3O)CC2)no1 ZINC000171759415 531916292 /nfs/dbraw/zinc/91/62/92/531916292.db2.gz YCJCGDKNUGKBGT-UHFFFAOYSA-N 0 0 395.257 2.194 10 0 GEAERN Cc1c(CS(C)(=O)=O)cccc1NC(=O)C(=O)N[C@@H](C)c1cccs1 ZINC000172142295 531936672 /nfs/dbraw/zinc/93/66/72/531936672.db2.gz QCQPTPJZQXRIDS-LBPRGKRZSA-N 0 0 380.491 2.417 10 0 GEAERN CCOc1c(Br)cc(C(=O)N[C@@H]2CCc3ncnn3C2)cc1OC ZINC000112649491 531950228 /nfs/dbraw/zinc/95/02/28/531950228.db2.gz NYRYQTPHXIIBIA-LLVKDONJSA-N 0 0 395.257 2.193 10 0 GEAERN Cc1cc(Cl)c(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cc1Cl ZINC000119251915 531963657 /nfs/dbraw/zinc/96/36/57/531963657.db2.gz IUZUZEIESNBJOM-VXGBXAGGSA-N 0 0 388.295 2.154 10 0 GEAERN CCN(CC)S(=O)(=O)CC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000114167637 531956158 /nfs/dbraw/zinc/95/61/58/531956158.db2.gz SMCVKPOPNHNOCD-NSHDSACASA-N 0 0 377.304 2.298 10 0 GEAERN O=C(N[C@H]1CCCn2ncnc21)c1ccc(F)c(I)c1 ZINC000120243437 531979091 /nfs/dbraw/zinc/97/90/91/531979091.db2.gz KBQFNQXVJMRCBZ-NSHDSACASA-N 0 0 386.168 2.287 10 0 GEAERN COC(=O)C[C@@H](NC(=O)c1c[nH]c(=O)c(Br)c1)c1ccccc1 ZINC000172991759 531978516 /nfs/dbraw/zinc/97/85/16/531978516.db2.gz HHEAWUHYIWUSAP-CYBMUJFWSA-N 0 0 379.210 2.172 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)c3cc(Br)cnc3Cl)CCO2)[nH]1 ZINC000173088776 531985854 /nfs/dbraw/zinc/98/58/54/531985854.db2.gz OZOIWBWIPOSAJD-SNVBAGLBSA-N 0 0 386.637 2.138 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)c3cc(Br)cn3C(C)C)CCO2)[nH]1 ZINC000173086123 531986332 /nfs/dbraw/zinc/98/63/32/531986332.db2.gz MOJMCPYVSUROJK-CYBMUJFWSA-N 0 0 382.262 2.472 10 0 GEAERN O=Cc1ccc(OCC(=O)N2CCC[C@@H](n3cncn3)C2)c(Br)c1 ZINC000173075031 531986593 /nfs/dbraw/zinc/98/65/93/531986593.db2.gz KRWRBUBJYPVGQO-CYBMUJFWSA-N 0 0 393.241 2.096 10 0 GEAERN Cc1nc(-c2ccc(S(=O)(=O)N3CC[C@H](N4CCOCC4)C3)s2)cs1 ZINC000121008643 532007131 /nfs/dbraw/zinc/00/71/31/532007131.db2.gz SXMYWUNSURHSLZ-ZDUSSCGKSA-N 0 0 399.563 2.275 10 0 GEAERN CCc1nnc([C@@H]2CN(C(=O)Cc3ccc(Br)cc3)CCO2)[nH]1 ZINC000173582663 532020902 /nfs/dbraw/zinc/02/09/02/532020902.db2.gz WYPJAVRTLAUBEE-ZDUSSCGKSA-N 0 0 379.258 2.272 10 0 GEAERN Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)c(Br)c1 ZINC000173693886 532027766 /nfs/dbraw/zinc/02/77/66/532027766.db2.gz AQBXRUBKHSLCEB-GFCCVEGCSA-N 0 0 392.257 2.151 10 0 GEAERN C[C@H](Oc1cccc(Br)c1)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000173675656 532026011 /nfs/dbraw/zinc/02/60/11/532026011.db2.gz FVDORKMHISZILH-BBRMVZONSA-N 0 0 394.269 2.341 10 0 GEAERN CCc1nnc([C@H]2CN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CCO2)[nH]1 ZINC000173838623 532037462 /nfs/dbraw/zinc/03/74/62/532037462.db2.gz CJBIJSMLQDNDKP-GFCCVEGCSA-N 0 0 391.280 2.436 10 0 GEAERN COc1ccc(Br)c(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 ZINC000173818813 532035965 /nfs/dbraw/zinc/03/59/65/532035965.db2.gz LAIGYXTTZQTISF-WBMJQRKESA-N 0 0 383.286 2.250 10 0 GEAERN COCCN1CCN(C(=O)[C@@H](C)Oc2cccc(Br)c2)C[C@H]1C ZINC000173806197 532035988 /nfs/dbraw/zinc/03/59/88/532035988.db2.gz LZCOUQRWDRKWCM-ZIAGYGMSSA-N 0 0 385.302 2.396 10 0 GEAERN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ncc(C(N)=O)s1 ZINC000121583468 532036026 /nfs/dbraw/zinc/03/60/26/532036026.db2.gz ODXSOWLGIAWEFK-LBPRGKRZSA-N 0 0 380.857 2.289 10 0 GEAERN CNc1cc(N2CCC[C@@H]2CNS(=O)(=O)c2ccc(Cl)cc2)ncn1 ZINC000173899618 532040617 /nfs/dbraw/zinc/04/06/17/532040617.db2.gz BQALZCIJSHIBMH-CYBMUJFWSA-N 0 0 381.889 2.119 10 0 GEAERN O=C(NCCc1ccc(Br)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000173891088 532040786 /nfs/dbraw/zinc/04/07/86/532040786.db2.gz XRFYYYBCOLZGBL-INIZCTEOSA-N 0 0 382.302 2.108 10 0 GEAERN CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H]2COc3ccccc32)c1 ZINC000121738988 532044685 /nfs/dbraw/zinc/04/46/85/532044685.db2.gz SCTKMIPYYRSLBH-CQSZACIVSA-N 0 0 380.853 2.454 10 0 GEAERN CC(C)c1csc([C@H]2CCCN(C(=O)CCN3CCCS3(=O)=O)C2)n1 ZINC000173967537 532043601 /nfs/dbraw/zinc/04/36/01/532043601.db2.gz UYYGNYLCIDJZAA-AWEZNQCLSA-N 0 0 385.555 2.398 10 0 GEAERN C[C@@H]1CN(C(=O)c2cccnc2SC(F)(F)F)C[C@@H]1N1CCOCC1 ZINC000173972725 532043754 /nfs/dbraw/zinc/04/37/54/532043754.db2.gz AMQXEVLDZHJING-YPMHNXCESA-N 0 0 375.416 2.486 10 0 GEAERN C[C@@H](NS(=O)(=O)c1cnc(Cl)c(Cl)c1)c1nnc2n1CCCC2 ZINC000121712498 532044047 /nfs/dbraw/zinc/04/40/47/532044047.db2.gz UBAPPKMMTULNCH-MRVPVSSYSA-N 0 0 376.269 2.356 10 0 GEAERN C[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1nnc2n1CCCC2 ZINC000121777215 532046890 /nfs/dbraw/zinc/04/68/90/532046890.db2.gz DQXPHSLQKCMBIO-JTQLQIEISA-N 0 0 385.287 2.416 10 0 GEAERN Cc1nnc([C@@H]2CN(C[C@H](O)COc3ccc(Cl)cc3Cl)CCO2)[nH]1 ZINC000174098908 532049096 /nfs/dbraw/zinc/04/90/96/532049096.db2.gz YTMBSXJWOCWYKB-WFASDCNBSA-N 0 0 387.267 2.233 10 0 GEAERN CCc1nnc([C@@H]2CN(C(=O)c3ccc(Br)c(O)c3)CCO2)[nH]1 ZINC000122371466 532067619 /nfs/dbraw/zinc/06/76/19/532067619.db2.gz QEPGIHRDFDCMPD-LBPRGKRZSA-N 0 0 381.230 2.049 10 0 GEAERN CN(C(=O)c1cncc(Br)c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000122577739 532075019 /nfs/dbraw/zinc/07/50/19/532075019.db2.gz MYLOGKWLGAKCFN-AWEZNQCLSA-N 0 0 376.258 2.375 10 0 GEAERN CCN(C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000122553268 532074038 /nfs/dbraw/zinc/07/40/38/532074038.db2.gz FWYAAEACSZOGOK-KGLIPLIRSA-N 0 0 378.416 2.379 10 0 GEAERN C[C@H]1C[C@H]1NC(=O)C(=O)Nc1cc(F)c(F)cc1I ZINC000174830997 532080330 /nfs/dbraw/zinc/08/03/30/532080330.db2.gz LEJWRERKKOXSSO-SSDLBLMSSA-N 0 0 380.132 2.033 10 0 GEAERN O=C(c1cncc(I)c1)N1CCC(Cn2cccn2)CC1 ZINC000122806609 532084624 /nfs/dbraw/zinc/08/46/24/532084624.db2.gz GGYWZHPPGXTNGK-UHFFFAOYSA-N 0 0 396.232 2.435 10 0 GEAERN O=C(c1sccc1S(=O)(=O)C(F)F)N1CC[C@H](Oc2cccnc2)C1 ZINC000123107669 532092945 /nfs/dbraw/zinc/09/29/45/532092945.db2.gz SCFOJQRSDSQQQD-NSHDSACASA-N 0 0 388.417 2.433 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cc(Br)ccc1F ZINC000176017771 532122591 /nfs/dbraw/zinc/12/25/91/532122591.db2.gz HUCOXBDWHSPQAJ-LLVKDONJSA-N 0 0 396.220 2.078 10 0 GEAERN Cc1c(I)cccc1C(=O)N[C@@H]1CCCn2ncnc21 ZINC000124612105 532124900 /nfs/dbraw/zinc/12/49/00/532124900.db2.gz ZVBPQQUFTMYYOD-GFCCVEGCSA-N 0 0 382.205 2.456 10 0 GEAERN C[C@@H]1CN(C(=O)NCc2cc(Br)cs2)C[C@H]1N1CCOCC1 ZINC000175687880 532111991 /nfs/dbraw/zinc/11/19/91/532111991.db2.gz MYQWHNCMRUSENE-BXUZGUMPSA-N 0 0 388.331 2.373 10 0 GEAERN COC(=O)C[C@H]1CN(C(=O)N[C@H](C)c2cccc(Br)c2)CCO1 ZINC000175753821 532112521 /nfs/dbraw/zinc/11/25/21/532112521.db2.gz BCTGTSWBVZXASF-RISCZKNCSA-N 0 0 385.258 2.484 10 0 GEAERN C[C@@H](CNC(=O)N[C@@H]1CCc2ncnn2C1)Oc1ccccc1Br ZINC000175787710 532115406 /nfs/dbraw/zinc/11/54/06/532115406.db2.gz CQXIXFGXVMBEEH-NWDGAFQWSA-N 0 0 394.273 2.122 10 0 GEAERN CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1I ZINC000176494448 532139162 /nfs/dbraw/zinc/13/91/62/532139162.db2.gz KSRVLLJRQOWACB-NSHDSACASA-N 0 0 391.184 2.173 10 0 GEAERN Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176105122 532126901 /nfs/dbraw/zinc/12/69/01/532126901.db2.gz MNANQUOMCWNOLC-GFCCVEGCSA-N 0 0 392.257 2.247 10 0 GEAERN NS(=O)(=O)c1ccc(CNC(=O)N2CCCC[C@@H]2c2nccs2)s1 ZINC000176156310 532127814 /nfs/dbraw/zinc/12/78/14/532127814.db2.gz BAGJOIYPMXNMTC-LLVKDONJSA-N 0 0 386.524 2.289 10 0 GEAERN C[C@H](NC(=O)NC[C@](C)(O)c1ccsc1)c1ccc(S(C)(=O)=O)cc1 ZINC000124818314 532129644 /nfs/dbraw/zinc/12/96/44/532129644.db2.gz SQKVUVNCMJMFJB-SJCJKPOMSA-N 0 0 382.507 2.420 10 0 GEAERN NS(=O)(=O)c1cccc(CNC(=O)N2CCCC[C@@H]2c2nccs2)c1 ZINC000176231983 532130798 /nfs/dbraw/zinc/13/07/98/532130798.db2.gz PLOANCUERWPQJR-CQSZACIVSA-N 0 0 380.495 2.227 10 0 GEAERN C[NH+](C)C[C@H]1CN(C(=O)c2cc(Cl)cc(Br)c2[O-])CCO1 ZINC000176298214 532132966 /nfs/dbraw/zinc/13/29/66/532132966.db2.gz SSDLGRCQRLORBY-JTQLQIEISA-N 0 0 377.666 2.211 10 0 GEAERN CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)c1ccc(C(N)=O)s1 ZINC000176534142 532140078 /nfs/dbraw/zinc/14/00/78/532140078.db2.gz MVGXOALRILTYFS-GFCCVEGCSA-N 0 0 379.507 2.054 10 0 GEAERN CC(C)n1nnnc1C[S@@](=O)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000176566470 532142159 /nfs/dbraw/zinc/14/21/59/532142159.db2.gz ZNJCZWRPQVICKR-HSZRJFAPSA-N 0 0 376.269 2.448 10 0 GEAERN C[C@H]1CN([C@@H](CNC(=O)CSc2nncs2)c2cccs2)CCO1 ZINC000176594042 532142526 /nfs/dbraw/zinc/14/25/26/532142526.db2.gz RNGKEOWQBIZRJH-RYUDHWBXSA-N 0 0 384.552 2.270 10 0 GEAERN Cc1csc([C@@H]2CCCN(C(=O)c3ccc(CNS(C)(=O)=O)o3)C2)n1 ZINC000176674366 532145237 /nfs/dbraw/zinc/14/52/37/532145237.db2.gz PLDBEWJRDZCNSB-GFCCVEGCSA-N 0 0 383.495 2.114 10 0 GEAERN COc1cc(Cl)c(S(=O)(=O)N[C@H]2CCCn3ncnc32)cc1Cl ZINC000176747445 532148519 /nfs/dbraw/zinc/14/85/19/532148519.db2.gz QKCBOHLASVZTPB-JTQLQIEISA-N 0 0 377.253 2.407 10 0 GEAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1cccnc1Br ZINC000177355994 532169798 /nfs/dbraw/zinc/16/97/98/532169798.db2.gz MGNMTKOBJAEKTN-GFCCVEGCSA-N 0 0 381.251 2.493 10 0 GEAERN Cc1ccc(Br)c(S(=O)(=O)N2CCC[C@@H](n3cncn3)C2)c1 ZINC000127930481 532159586 /nfs/dbraw/zinc/15/95/86/532159586.db2.gz DCKDXVAJGMRZDF-GFCCVEGCSA-N 0 0 385.287 2.375 10 0 GEAERN COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C)cc2Br)C1 ZINC000177136067 532162126 /nfs/dbraw/zinc/16/21/26/532162126.db2.gz BXGHTAPWZOUTOJ-LLVKDONJSA-N 0 0 383.242 2.108 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccccc1I ZINC000177712920 532180502 /nfs/dbraw/zinc/18/05/02/532180502.db2.gz MTKKBUFFOFZGRH-LBPRGKRZSA-N 0 0 382.205 2.456 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(Br)cnc1N(C)C ZINC000177734043 532181526 /nfs/dbraw/zinc/18/15/26/532181526.db2.gz MHAKLSVKSNWMQC-LBPRGKRZSA-N 0 0 379.262 2.075 10 0 GEAERN O=C(N[C@@H]1CCCn2ncnc21)c1cc(Br)c2c(c1)OCCO2 ZINC000177592901 532176819 /nfs/dbraw/zinc/17/68/19/532176819.db2.gz QUEBYZWLCURJOI-LLVKDONJSA-N 0 0 379.214 2.077 10 0 GEAERN C[C@@H](CNC(=O)Cc1c[nH]c2cc(Br)ccc12)N1CCOCC1 ZINC000129399466 532177095 /nfs/dbraw/zinc/17/70/95/532177095.db2.gz RRCBWXHHEKUHFT-LBPRGKRZSA-N 0 0 380.286 2.310 10 0 GEAERN CC[C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)CCN1C[C@@H](C)O ZINC000177611662 532177429 /nfs/dbraw/zinc/17/74/29/532177429.db2.gz DZGZMOQLWFQPIQ-NEPJUHHUSA-N 0 0 388.295 2.236 10 0 GEAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000131311108 532196004 /nfs/dbraw/zinc/19/60/04/532196004.db2.gz RVNLLAGZZCIRQG-RKDXNWHRSA-N 0 0 394.262 2.241 10 0 GEAERN Cc1cc(NC(=O)[C@@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)sn1 ZINC000130223119 532190041 /nfs/dbraw/zinc/19/00/41/532190041.db2.gz GQWRZJXOCDURLE-AWEZNQCLSA-N 0 0 378.479 2.153 10 0 GEAERN CCS(=O)(=O)NCCCN1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000132050255 532208718 /nfs/dbraw/zinc/20/87/18/532208718.db2.gz JNMGLBLFJCAHQM-ZDUSSCGKSA-N 0 0 375.560 2.143 10 0 GEAERN C[C@H]1CN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)C[C@H](C)O1 ZINC000178422387 532201835 /nfs/dbraw/zinc/20/18/35/532201835.db2.gz ZPFBOERRZQXYRT-UWVGGRQHSA-N 0 0 385.233 2.113 10 0 GEAERN COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000179278552 532227570 /nfs/dbraw/zinc/22/75/70/532227570.db2.gz MOWZYSXFMXSHQO-NSHDSACASA-N 0 0 398.225 2.444 10 0 GEAERN O=C(NCCNS(=O)(=O)c1cccs1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000133170950 532228359 /nfs/dbraw/zinc/22/83/59/532228359.db2.gz PWAKNZVDKOINAH-RYUDHWBXSA-N 0 0 386.445 2.225 10 0 GEAERN CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(Br)cc1C)CC2 ZINC000133336889 532232488 /nfs/dbraw/zinc/23/24/88/532232488.db2.gz MJFMNGGKFGVDAF-GFCCVEGCSA-N 0 0 399.314 2.205 10 0 GEAERN O=C(c1cncc(I)c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000133381705 532233969 /nfs/dbraw/zinc/23/39/69/532233969.db2.gz RAMLKXMHJVAHDO-IUODEOHRSA-N 0 0 386.233 2.453 10 0 GEAERN C[C@H](N[C@@H](C)c1c(Cl)ccc(F)c1Cl)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000179538257 532234896 /nfs/dbraw/zinc/23/48/96/532234896.db2.gz LXFUXIBIDHXEJQ-LPEHRKFASA-N 0 0 397.299 2.475 10 0 GEAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)C ZINC000179081857 532221158 /nfs/dbraw/zinc/22/11/58/532221158.db2.gz GEPUCTNDIAAPIB-LLVKDONJSA-N 0 0 379.766 2.184 10 0 GEAERN CNC(=O)[C@H](NC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl)C(C)C ZINC000179080280 532221714 /nfs/dbraw/zinc/22/17/14/532221714.db2.gz NFANZICCWPNFEG-LLVKDONJSA-N 0 0 380.659 2.472 10 0 GEAERN Cc1cnn(C[C@H]2CN(C(=O)c3ccc(C)nc3Br)CCO2)c1 ZINC000133721899 532241454 /nfs/dbraw/zinc/24/14/54/532241454.db2.gz GOZBNPBHBSDYQO-CYBMUJFWSA-N 0 0 379.258 2.199 10 0 GEAERN C[C@H](NC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1)[C@@H]1CCCO1 ZINC000179816313 532245265 /nfs/dbraw/zinc/24/52/65/532245265.db2.gz KPKBXALKIOIEME-CPCISQLKSA-N 0 0 377.185 2.350 10 0 GEAERN O=C(NCCOc1c(Cl)cc(Br)cc1Cl)[C@H]1CNC(=O)C1 ZINC000179856277 532248120 /nfs/dbraw/zinc/24/81/20/532248120.db2.gz KFCRUHARRIBOGT-SSDOTTSWSA-N 0 0 396.068 2.387 10 0 GEAERN CC(=O)c1cc(S(=O)(=O)N[C@@H]2CCCn3ncnc32)ccc1Br ZINC000180394272 532270811 /nfs/dbraw/zinc/27/08/11/532270811.db2.gz OJHRJQNDUWDBOX-CYBMUJFWSA-N 0 0 399.270 2.057 10 0 GEAERN Cc1nnc([C@@H]2CN(Cc3cc(Br)c4c(c3)OCCO4)CCO2)[nH]1 ZINC000180108624 532257432 /nfs/dbraw/zinc/25/74/32/532257432.db2.gz XUJOGPVEVGJPGQ-AWEZNQCLSA-N 0 0 395.257 2.220 10 0 GEAERN CC(C)n1nnnc1C[S@](=O)Cc1ccc(I)cc1 ZINC000180490709 532272259 /nfs/dbraw/zinc/27/22/59/532272259.db2.gz INODOAPFFGNYEE-LJQANCHMSA-N 0 0 390.250 2.308 10 0 GEAERN O=C(NCCOc1ccc(Br)cc1C(F)(F)F)[C@H]1CNC(=O)C1 ZINC000135562258 532275590 /nfs/dbraw/zinc/27/55/90/532275590.db2.gz UVVIDCYJXOOJPI-MRVPVSSYSA-N 0 0 395.175 2.099 10 0 GEAERN C[C@@H](NC(N)=O)C(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC000135561802 532276181 /nfs/dbraw/zinc/27/61/81/532276181.db2.gz GIKXYLXLEAOJEB-SSDOTTSWSA-N 0 0 398.179 2.020 10 0 GEAERN CC(C)[C@H](C)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 ZINC000135800867 532280165 /nfs/dbraw/zinc/28/01/65/532280165.db2.gz PDTFLZKPJGMKBE-WFASDCNBSA-N 0 0 388.917 2.034 10 0 GEAERN COc1cc(C(=O)N2CCO[C@H](c3nnc(C)[nH]3)C2)sc1Br ZINC000136434795 532284427 /nfs/dbraw/zinc/28/44/27/532284427.db2.gz ULSVVDDFDDYBQM-VIFPVBQESA-N 0 0 387.259 2.159 10 0 GEAERN O=C(c1cc(Cl)sc1Cl)N1CCN(c2ccc3nncn3n2)CC1 ZINC000136414016 532284641 /nfs/dbraw/zinc/28/46/41/532284641.db2.gz GOVBTYIYZCLTAP-UHFFFAOYSA-N 0 0 383.264 2.455 10 0 GEAERN O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000180968139 532287709 /nfs/dbraw/zinc/28/77/09/532287709.db2.gz LBYZMQRJMUMOTR-JTQLQIEISA-N 0 0 376.269 2.081 10 0 GEAERN CCc1noc([C@@H](C)N2CCN(C(=O)c3cccc(Br)n3)CC2)n1 ZINC000180524551 532274217 /nfs/dbraw/zinc/27/42/17/532274217.db2.gz SRWGTLCUNKALIC-LLVKDONJSA-N 0 0 394.273 2.309 10 0 GEAERN COc1cc(C(=O)N[C@@H]2c3cc(C)ccc3C[C@@H]2C)sc1S(N)(=O)=O ZINC000181252792 532294446 /nfs/dbraw/zinc/29/44/46/532294446.db2.gz YYEMUXIGXAAYMD-BONVTDFDSA-N 0 0 380.491 2.376 10 0 GEAERN Cc1nc(Br)ccc1NC(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000181322297 532295633 /nfs/dbraw/zinc/29/56/33/532295633.db2.gz GZGPQQALKRGJNH-RISCZKNCSA-N 0 0 383.290 2.337 10 0 GEAERN CC(C)c1nnc(CN(C)[C@H](C(N)=O)c2cccc(Br)c2)n1C ZINC000181069651 532290055 /nfs/dbraw/zinc/29/00/55/532290055.db2.gz YHSSBHXSRQYXDV-AWEZNQCLSA-N 0 0 380.290 2.359 10 0 GEAERN C[C@@H](NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccc(F)c(Cl)c1 ZINC000183522054 532325745 /nfs/dbraw/zinc/32/57/45/532325745.db2.gz LQRYVKCQMNTAGB-WDEREUQCSA-N 0 0 377.869 2.215 10 0 GEAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3cccc(Br)n3)CCO2)n1 ZINC000182613303 532315397 /nfs/dbraw/zinc/31/53/97/532315397.db2.gz LKPKECOSXDHFFZ-CYBMUJFWSA-N 0 0 379.258 2.199 10 0 GEAERN CS(=O)(=O)NCCNC(=O)[C@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000183031584 532321158 /nfs/dbraw/zinc/32/11/58/532321158.db2.gz JBIYQNYMNYYPHN-JSGCOSHPSA-N 0 0 395.308 2.127 10 0 GEAERN COc1ccc(C(=O)N2CCC(Nc3cccnn3)CC2)nc1Br ZINC000183033935 532321302 /nfs/dbraw/zinc/32/13/02/532321302.db2.gz PMDNANUPWGFTLM-UHFFFAOYSA-N 0 0 392.257 2.359 10 0 GEAERN O=C(c1cc2c(cc1Br)NC(=O)CO2)N1CCN2CCCC[C@@H]2C1 ZINC000183303784 532323121 /nfs/dbraw/zinc/32/31/21/532323121.db2.gz QDYUKLUJAKXDOG-LLVKDONJSA-N 0 0 394.269 2.090 10 0 GEAERN COC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1cc(C)cc(Br)c1 ZINC000186619068 532341569 /nfs/dbraw/zinc/34/15/69/532341569.db2.gz DPAYVVYEGWTKSM-ZDUSSCGKSA-N 0 0 383.242 2.250 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CCN(CC(=O)N(C)Cc2ccc(Cl)s2)CC1 ZINC000186684966 532341642 /nfs/dbraw/zinc/34/16/42/532341642.db2.gz VUBJLUPABLIVBZ-UHFFFAOYSA-N 0 0 387.933 2.231 10 0 GEAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000183747762 532328635 /nfs/dbraw/zinc/32/86/35/532328635.db2.gz LMLUSMLJVCRRLE-LBPRGKRZSA-N 0 0 378.237 2.447 10 0 GEAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000183747311 532328822 /nfs/dbraw/zinc/32/88/22/532328822.db2.gz HUENRYNPNYOFPV-LLVKDONJSA-N 0 0 378.237 2.447 10 0 GEAERN O=S(=O)(c1ccc(Br)cc1F)N1CCC[C@H](n2cncn2)C1 ZINC000184647268 532334108 /nfs/dbraw/zinc/33/41/08/532334108.db2.gz NPPOQLPGJUTVJT-NSHDSACASA-N 0 0 389.250 2.206 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)NCc2ccc(Br)c(F)c2)CC1 ZINC000184982476 532336386 /nfs/dbraw/zinc/33/63/86/532336386.db2.gz CTWWQAKFWLDRPZ-ZDUSSCGKSA-N 0 0 388.281 2.186 10 0 GEAERN Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000187874695 532346013 /nfs/dbraw/zinc/34/60/13/532346013.db2.gz ZOUWIECIRURTQO-LLVKDONJSA-N 0 0 396.220 2.078 10 0 GEAERN Cc1cc(Br)cc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000188096667 532346614 /nfs/dbraw/zinc/34/66/14/532346614.db2.gz CCWLWEGNTMTUDD-LBPRGKRZSA-N 0 0 391.269 2.446 10 0 GEAERN C[C@H]1C(=O)NCCCN1C(=O)CNC(=O)c1sc2ccccc2c1Cl ZINC000188088720 532346637 /nfs/dbraw/zinc/34/66/37/532346637.db2.gz VUPRRKCOMIERCF-JTQLQIEISA-N 0 0 379.869 2.022 10 0 GEAERN C[C@H]1CN(C(=O)Cc2ccc(F)cc2Br)C[C@H]1N1CCOCC1 ZINC000188178781 532347139 /nfs/dbraw/zinc/34/71/39/532347139.db2.gz QKRSLPOYGBDYMR-BLLLJJGKSA-N 0 0 385.277 2.310 10 0 GEAERN C[C@H]1CN(C(=O)Cc2ccc(F)cc2Br)C[C@@H]1N1CCOCC1 ZINC000188178732 532347188 /nfs/dbraw/zinc/34/71/88/532347188.db2.gz QKRSLPOYGBDYMR-LRDDRELGSA-N 0 0 385.277 2.310 10 0 GEAERN CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000188870961 532349820 /nfs/dbraw/zinc/34/98/20/532349820.db2.gz VFFXMMUUGHCXCI-YOEHRIQHSA-N 0 0 380.491 2.103 10 0 GEAERN O=C(NC1CN(C(=O)NCCc2nc(C(F)(F)F)cs2)C1)C1CCC1 ZINC000188878752 532349917 /nfs/dbraw/zinc/34/99/17/532349917.db2.gz DCSBFCPVLNQTHX-UHFFFAOYSA-N 0 0 376.404 2.015 10 0 GEAERN CN(C(=O)c1nc(Br)cs1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000188876962 532349919 /nfs/dbraw/zinc/34/99/19/532349919.db2.gz CJSKDEFKADUEFM-SNVBAGLBSA-N 0 0 382.287 2.437 10 0 GEAERN O=S(=O)(c1c(Cl)nc2ccccn21)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188877948 532349976 /nfs/dbraw/zinc/34/99/76/532349976.db2.gz QASRDANUZXWDJR-STQMWFEESA-N 0 0 397.909 2.446 10 0 GEAERN C[C@@H]1C(=O)NCCCN1C(=O)c1cc(Cl)ccc1I ZINC000188907436 532350102 /nfs/dbraw/zinc/35/01/02/532350102.db2.gz ZCYPQKCMZGEBQL-MRVPVSSYSA-N 0 0 392.624 2.295 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2cc(Cl)c(C)cc2Cl)CC1 ZINC000189467932 532352297 /nfs/dbraw/zinc/35/22/97/532352297.db2.gz KVXYARLCIMZAPD-LBPRGKRZSA-N 0 0 388.295 2.155 10 0 GEAERN COCCN1CCN(S(=O)(=O)c2ccc(CC(F)(F)F)cc2)C[C@H]1C ZINC000189977618 532354321 /nfs/dbraw/zinc/35/43/21/532354321.db2.gz GJGARMMOOTUITP-CYBMUJFWSA-N 0 0 380.432 2.133 10 0 GEAERN O=C(Nc1cncc(Br)c1)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000190156849 532355007 /nfs/dbraw/zinc/35/50/07/532355007.db2.gz ITEWUVXQSWQNGZ-CYBMUJFWSA-N 0 0 378.230 2.260 10 0 GEAERN O=C(Nc1cccnc1Br)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000190153467 532355070 /nfs/dbraw/zinc/35/50/70/532355070.db2.gz FJEGHXOYSMHLBD-LBPRGKRZSA-N 0 0 378.230 2.260 10 0 GEAERN C[C@@H]1CN([C@@H](CNC(=O)NCCOCC(F)F)c2cccs2)CCO1 ZINC000190201171 532355152 /nfs/dbraw/zinc/35/51/52/532355152.db2.gz VOOQVJPHDGETDA-OLZOCXBDSA-N 0 0 377.457 2.091 10 0 GEAERN Cc1ccc([C@@H](CNC(=O)NCCOCC(F)F)N2CCOCC2)s1 ZINC000190201047 532355191 /nfs/dbraw/zinc/35/51/91/532355191.db2.gz NLCWVHFGBACVKW-CYBMUJFWSA-N 0 0 377.457 2.011 10 0 GEAERN COCCN(Cc1sccc1Br)C(=O)[C@H]1C[C@H]1C(=O)OC ZINC000190189016 532355224 /nfs/dbraw/zinc/35/52/24/532355224.db2.gz BNHJOQPSGHJIOT-VHSXEESVSA-N 0 0 376.272 2.295 10 0 GEAERN CN(CCCNC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1)CC(F)(F)F ZINC000190281752 532355426 /nfs/dbraw/zinc/35/54/26/532355426.db2.gz NIONEIXDQQRMBJ-KBPBESRZSA-N 0 0 379.448 2.350 10 0 GEAERN C[C@H]1CCN(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)CCS1(=O)=O ZINC000190584473 532356927 /nfs/dbraw/zinc/35/69/27/532356927.db2.gz LONJHCDXFKFVRM-GXTWGEPZSA-N 0 0 378.416 2.379 10 0 GEAERN COC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000190737461 532357771 /nfs/dbraw/zinc/35/77/71/532357771.db2.gz TXIUGWLXPZLKDU-GFCCVEGCSA-N 0 0 383.242 2.168 10 0 GEAERN CCn1cc([C@H]2CN(CC(=O)Nc3ccc(Br)cn3)CCO2)cn1 ZINC000190753279 532357794 /nfs/dbraw/zinc/35/77/94/532357794.db2.gz NQRNBYHQMZXJAZ-CQSZACIVSA-N 0 0 394.273 2.073 10 0 GEAERN O=C(Nc1cc(Br)c(F)cc1F)C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000190872800 532358501 /nfs/dbraw/zinc/35/85/01/532358501.db2.gz COSUUICGOBEZCV-PRHODGIISA-N 0 0 391.212 2.333 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cc(C)cc(Br)c1 ZINC000187442259 532344516 /nfs/dbraw/zinc/34/45/16/532344516.db2.gz HQJXCULFCPUIAH-ZDUSSCGKSA-N 0 0 385.287 2.471 10 0 GEAERN NC(=O)N[C@H](CC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1)c1cccs1 ZINC000187745804 532345404 /nfs/dbraw/zinc/34/54/04/532345404.db2.gz LUUSHLAACXNDCN-MELADBBJSA-N 0 0 379.507 2.144 10 0 GEAERN O=C(c1cc(Br)c(F)cc1F)N1CC[C@H](N2CCOCC2)C1 ZINC000192140657 532388461 /nfs/dbraw/zinc/38/84/61/532388461.db2.gz CRQGSPWOUDLSNF-JTQLQIEISA-N 0 0 375.213 2.274 10 0 GEAERN CCc1nnc(C[S@@](=O)Cc2cn(-c3ccc(F)c(Cl)c3)nn2)n1C ZINC000194310459 532446836 /nfs/dbraw/zinc/44/68/36/532446836.db2.gz IOZYFRZKLFPRPA-VWLOTQADSA-N 0 0 382.852 2.200 10 0 GEAERN C[C@H]1NC(=O)CC[C@@H]1NS(=O)(=O)c1c(Cl)cccc1Br ZINC000282288661 532453472 /nfs/dbraw/zinc/45/34/72/532453472.db2.gz KLMNCARNMOTCCP-XCBNKYQSSA-N 0 0 381.679 2.048 10 0 GEAERN CCc1ccc([C@@H](C)NS(=O)(=O)c2ccccc2S(=O)(=O)NC)cc1 ZINC000195050115 532465887 /nfs/dbraw/zinc/46/58/87/532465887.db2.gz ZPYNYYRXJAUNDZ-CYBMUJFWSA-N 0 0 382.507 2.197 10 0 GEAERN C[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C[C@H]1N1CCOCC1 ZINC000246642649 532541962 /nfs/dbraw/zinc/54/19/62/532541962.db2.gz ZQAQLDLHEICTNK-MLGOLLRUSA-N 0 0 393.336 2.476 10 0 GEAERN C[C@@H]1C[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1N1CCOCC1 ZINC000246634798 532542462 /nfs/dbraw/zinc/54/24/62/532542462.db2.gz ZROZOSRRTWGXJT-UKPHBRMFSA-N 0 0 389.323 2.386 10 0 GEAERN C[C@@H](C(=O)Nc1cccc(Br)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000246168480 532532061 /nfs/dbraw/zinc/53/20/61/532532061.db2.gz JCBXIPCYEAAIJH-XJKSGUPXSA-N 0 0 382.302 2.183 10 0 GEAERN C[C@H]1CN([C@H](CNS(=O)(=O)N2CCCCCC2)c2cccs2)CCO1 ZINC000248338633 532551454 /nfs/dbraw/zinc/55/14/54/532551454.db2.gz HWAJHKQAWVGKMD-JKSUJKDBSA-N 0 0 387.571 2.220 10 0 GEAERN CCN(CC1CC1)S(=O)(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000248639051 532553958 /nfs/dbraw/zinc/55/39/58/532553958.db2.gz LOUJKPFZZQBATE-GOEBONIOSA-N 0 0 387.571 2.076 10 0 GEAERN COCCN1CCN([C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@@H]1C ZINC000249260716 532562139 /nfs/dbraw/zinc/56/21/39/532562139.db2.gz ITWBQYYJVLOVQG-YOEHRIQHSA-N 0 0 396.329 2.207 10 0 GEAERN COCCN1CCN(S(=O)(=O)c2cc(Br)ccc2C)C[C@@H]1C ZINC000247263740 532546223 /nfs/dbraw/zinc/54/62/23/532546223.db2.gz YUZMUULTFXRRIE-ZDUSSCGKSA-N 0 0 391.331 2.099 10 0 GEAERN CO[C@@H]1C[C@@H](CO)N(C(=O)c2cc(Cl)ccc2I)C1 ZINC000284720526 532614134 /nfs/dbraw/zinc/61/41/34/532614134.db2.gz CIOLJDPCQZEETK-VHSXEESVSA-N 0 0 395.624 2.166 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)COc2cc(Cl)ccc2Cl)C1 ZINC000262715447 532598250 /nfs/dbraw/zinc/59/82/50/532598250.db2.gz NHTFPDQCJVOFQC-UHFFFAOYSA-N 0 0 375.252 2.426 10 0 GEAERN C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262899822 532607057 /nfs/dbraw/zinc/60/70/57/532607057.db2.gz HZVYMSWDHFVRLA-GXTWGEPZSA-N 0 0 386.901 2.064 10 0 GEAERN C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262950930 532607486 /nfs/dbraw/zinc/60/74/86/532607486.db2.gz JREWLLLJOXYGBI-YUSALJHKSA-N 0 0 376.400 2.216 10 0 GEAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)CCSc2ccc(Cl)cc2)CCO1 ZINC000262964227 532609934 /nfs/dbraw/zinc/60/99/34/532609934.db2.gz QQHIVCSWIQVMPS-CQSZACIVSA-N 0 0 386.901 2.066 10 0 GEAERN O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CC(F)(F)CN1 ZINC000263042974 532612663 /nfs/dbraw/zinc/61/26/63/532612663.db2.gz SZILJYLBDOINRB-RISCZKNCSA-N 0 0 388.256 2.389 10 0 GEAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(Cc2cc(Br)c(Cl)s2)CCO1 ZINC000263515074 532628313 /nfs/dbraw/zinc/62/83/13/532628313.db2.gz OKZQQBAMUFMFGH-SECBINFHSA-N 0 0 397.722 2.381 10 0 GEAERN Cc1cc(Br)c(CN2CCO[C@H](C[N@@H+](C)CC(=O)[O-])C2)s1 ZINC000263526902 532628888 /nfs/dbraw/zinc/62/88/88/532628888.db2.gz UKNVMDPKXHGNBP-LLVKDONJSA-N 0 0 377.304 2.036 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ncc(Br)s1 ZINC000635396533 532672745 /nfs/dbraw/zinc/67/27/45/532672745.db2.gz MVAVFMJQBPUHTH-MRVPVSSYSA-N 0 0 382.305 2.048 10 0 GEAERN COC(=O)c1sc(N2CCC[C@H](C(=O)NCC(F)(F)F)C2)nc1Cl ZINC000301463032 532752368 /nfs/dbraw/zinc/75/23/68/532752368.db2.gz JYBOIYKOAVHDKU-ZETCQYMHSA-N 0 0 385.795 2.478 10 0 GEAERN CCS[C@H]1CC[C@@]1(O)CNc1ccc(S(N)(=O)=O)cc1C(F)(F)F ZINC000301479892 532752534 /nfs/dbraw/zinc/75/25/34/532752534.db2.gz DDFPSBGHWHMAOC-QWHCGFSZSA-N 0 0 384.445 2.411 10 0 GEAERN CCS(=O)(=O)N1CC(CNc2nnc(Cc3ccc(Cl)cc3)s2)C1 ZINC000302601044 532771662 /nfs/dbraw/zinc/77/16/62/532771662.db2.gz YKJHPVHESULZIJ-UHFFFAOYSA-N 0 0 386.930 2.476 10 0 GEAERN CCn1c2nc(/C=C/c3ccc(OC)c(C)c3OC)n(C)c2c(=O)n(CC)c1=O ZINC000003803926 212146689 /nfs/dbraw/zinc/14/66/89/212146689.db2.gz JZBGORFEKBLOPF-ZRDIBKRKSA-N 0 0 398.463 2.433 10 0 GEAERN Cc1ccc(S(=O)(=O)N[C@@H]2Cc3ccc(C4=NNC(=O)CC4)cc3C2)cc1 ZINC000003783695 212145986 /nfs/dbraw/zinc/14/59/86/212145986.db2.gz HPHBEFJDQBZDEF-QGZVFWFLSA-N 0 0 383.473 2.055 10 0 GEAERN O=C(CN1C(=O)SC(=Cc2cccc(Cl)c2)C1=O)NCCc1c[nH]cn1 ZINC000033537085 212111626 /nfs/dbraw/zinc/11/16/26/212111626.db2.gz AOZWJWXCKKWKOQ-AUWJEWJLSA-N 0 0 390.852 2.458 10 0 GEAERN CC(C)[C@@H](NC(=O)CCN1C(=O)c2ccncc2C1=O)c1nc2ccccc2[nH]1 ZINC000334162648 212108032 /nfs/dbraw/zinc/10/80/32/212108032.db2.gz WCZUQYBEJXTOJJ-GOSISDBHSA-N 0 0 391.431 2.458 10 0 GEAERN CC[C@H](C)[C@@H](NC(=O)CSCc1nc2ccccc2c(=O)[nH]1)C(=O)OC ZINC000334162731 212107742 /nfs/dbraw/zinc/10/77/42/212107742.db2.gz YMJUXTLUDPHTIN-MEDUHNTESA-N 0 0 377.466 2.273 10 0 GEAERN COc1ccc(OC)c(S(=O)(=O)N(CC(=O)NC(C)C)Cc2ccco2)c1 ZINC000027914320 212109281 /nfs/dbraw/zinc/10/92/81/212109281.db2.gz MFZRJHIFRYGSRT-UHFFFAOYSA-N 0 0 396.465 2.012 10 0 GEAERN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N(C)C)c1ccc(F)cc1 ZINC000027914264 212109410 /nfs/dbraw/zinc/10/94/10/212109410.db2.gz NVTOYZWPHAEFEA-UHFFFAOYSA-N 0 0 380.441 2.426 10 0 GEAERN COc1ccc(Cl)cc1CN1C(=O)N[C@H](Cc2cn(C(C)C)nn2)C1=O ZINC000328614422 212085883 /nfs/dbraw/zinc/08/58/83/212085883.db2.gz WAPKESJKIUUJMJ-CQSZACIVSA-N 0 0 377.832 2.389 10 0 GEAERN Cn1cc([C@H]2CN(S(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)CCO2)cn1 ZINC000328614078 212085197 /nfs/dbraw/zinc/08/51/97/212085197.db2.gz VFTFAGCSUGUIPH-MRXNPFEDSA-N 0 0 390.465 2.062 10 0 GEAERN [NH3+][C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn([C@@H]4C[C@@H]4F)c3c2Cl)C1 ZINC000003808354 220664547 /nfs/dbraw/zinc/66/45/47/220664547.db2.gz RHXWDMANWNEVNN-VIRWGQHYSA-N 0 0 383.782 2.313 10 0 GEAERN O=C(CCN1N=C(c2ccccc2)CCC1=O)NC[C@@H]1COc2ccccc2O1 ZINC000004668220 220744274 /nfs/dbraw/zinc/74/42/74/220744274.db2.gz LVPMUNITUHFZIF-QGZVFWFLSA-N 0 0 393.443 2.359 10 0 GEAERN Cn1c(SCc2cccnc2)nnc1[C@@H]1CCCN(C(=O)[C@H]2CCCO2)C1 ZINC000004932490 220794243 /nfs/dbraw/zinc/79/42/43/220794243.db2.gz SDBUXHVCLZYRLJ-HZPDHXFCSA-N 0 0 387.509 2.387 10 0 GEAERN O=C(c1ccncc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000008423214 221040749 /nfs/dbraw/zinc/04/07/49/221040749.db2.gz VWWDABQOLBEZMP-UHFFFAOYSA-N 0 0 385.489 2.107 10 0 GEAERN O=C1O[C@@H]2[C@H]3[C@@H]([C@H]1C[C@H]2O)N(Cc1ccco1)C(=S)N3CC1CCCCC1 ZINC000008296102 221035490 /nfs/dbraw/zinc/03/54/90/221035490.db2.gz LQENPJVDACHHJQ-ZKXLYKBJSA-N 0 0 390.505 2.306 10 0 GEAERN CCn1ccnc1CN(C)C(=O)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000011820288 221129518 /nfs/dbraw/zinc/12/95/18/221129518.db2.gz CSMROKQWBAIJGB-QGZVFWFLSA-N 0 0 386.471 2.482 10 0 GEAERN C[C@@H]1CS(=O)(=O)N(c2ccc(Cl)c(C(=O)Nc3nccs3)c2)C1=O ZINC000012005261 221141991 /nfs/dbraw/zinc/14/19/91/221141991.db2.gz PRIYUKBMLAPEIJ-MRVPVSSYSA-N 0 0 385.854 2.361 10 0 GEAERN Cc1cccc2[nH]c(CN(C)C(=O)C[C@H]3C(=O)NCCN3CC(C)(C)C)nc21 ZINC000012299822 221176612 /nfs/dbraw/zinc/17/66/12/221176612.db2.gz BMRYVNLLTZGOCF-INIZCTEOSA-N 0 0 385.512 2.066 10 0 GEAERN O=C1CCCC(=O)N1c1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1 ZINC000012201876 221166631 /nfs/dbraw/zinc/16/66/31/221166631.db2.gz AZHGJNNOMVKERZ-UHFFFAOYSA-N 0 0 376.409 2.348 10 0 GEAERN Cc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)N1CCC(C)CC1 ZINC000012208488 221168366 /nfs/dbraw/zinc/16/83/66/221168366.db2.gz KYMFZDBLEFMAIL-UHFFFAOYSA-N 0 0 386.539 2.346 10 0 GEAERN COc1cccc(CN2C[C@H](C(=O)N(C)CCc3c(C)n[nH]c3C)CCC2=O)c1 ZINC000012578554 221209768 /nfs/dbraw/zinc/20/97/68/221209768.db2.gz RRLZPOJZGGDKRE-GOSISDBHSA-N 0 0 398.507 2.475 10 0 GEAERN CCOC(=O)CNC(=O)N1CCC[C@@H](C(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC000012583297 221210536 /nfs/dbraw/zinc/21/05/36/221210536.db2.gz RTILISPBYAOHCI-OAHLLOKOSA-N 0 0 376.453 2.479 10 0 GEAERN COc1ccc(NC(=O)c2cccc3c2O[C@H](C)[C@@H]3C)cc1S(N)(=O)=O ZINC000012741525 221223913 /nfs/dbraw/zinc/22/39/13/221223913.db2.gz ZPNMLPMVLITALY-WDEREUQCSA-N 0 0 376.434 2.479 10 0 GEAERN O=C(CNC(=O)c1cccc(CN2CCCC2=O)c1)Nc1ccc(F)c(F)c1 ZINC000014197564 221303665 /nfs/dbraw/zinc/30/36/65/221303665.db2.gz HGAIXATVIWNGNL-UHFFFAOYSA-N 0 0 387.386 2.456 10 0 GEAERN O=C(C[C@H]1C(=O)NCCN1CCc1ccccc1)N1CCc2sccc2C1 ZINC000015077909 221332596 /nfs/dbraw/zinc/33/25/96/221332596.db2.gz IHBNXAOUJMKHKL-SFHVURJKSA-N 0 0 383.517 2.066 10 0 GEAERN O=c1[nH][nH]c2cc(I)cc(I)c12 ZINC000014983270 221325035 /nfs/dbraw/zinc/32/50/35/221325035.db2.gz VNIFUHKQDVSEQQ-UHFFFAOYSA-N 0 0 385.930 2.478 10 0 GEAERN COCCn1cc(C(=O)NC(C)C)c(=O)c(C(=O)NC2CCCCCCC2)c1 ZINC000015000703 221326233 /nfs/dbraw/zinc/32/62/33/221326233.db2.gz LELMCWBWKGGTRE-UHFFFAOYSA-N 0 0 391.512 2.476 10 0 GEAERN O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CC(C(c2ccccc2)c2ccccc2)=NO1 ZINC000019113314 221396802 /nfs/dbraw/zinc/39/68/02/221396802.db2.gz QAFRVUMDZLYMEW-IEBWSBKVSA-N 0 0 398.484 2.267 10 0 GEAERN CN(C)C(=O)CN1C(=O)COc2ccc(C(=O)NCCC3=CCCCC3)cc21 ZINC000064956574 136158340 /nfs/dbraw/zinc/15/83/40/136158340.db2.gz UEKXINSBLWEDJX-UHFFFAOYSA-N 0 0 385.464 2.121 10 0 GEAERN O=C1N(CCN2CCN(c3cccc4c3NCC4)CC2)CCN1C1CCCC1 ZINC000089210355 136175557 /nfs/dbraw/zinc/17/55/57/136175557.db2.gz XRMIDKXFNQMACK-UHFFFAOYSA-N 0 0 383.540 2.457 10 0 GEAERN COc1ccc(C(=O)N2CC[C@H]3NC(=O)N(c4ccc(C)cc4)C(=O)[C@H]32)cc1 ZINC000004260674 136193792 /nfs/dbraw/zinc/19/37/92/136193792.db2.gz JHJHDJYTIWNTDK-MSOLQXFVSA-N 0 0 379.416 2.343 10 0 GEAERN Cc1ccc(Cn2cc(NC(=O)COc3ccc(-n4cnnn4)cc3)cn2)cc1 ZINC000028238544 221670929 /nfs/dbraw/zinc/67/09/29/221670929.db2.gz BKUHUKATOXMREN-UHFFFAOYSA-N 0 0 389.419 2.233 10 0 GEAERN CCOC(=O)c1cnc2cc(OS(=O)(=O)c3ccc(C)cc3)nn2c1C ZINC000036621772 221862971 /nfs/dbraw/zinc/86/29/71/221862971.db2.gz DEUYWBBHVAPGDV-UHFFFAOYSA-N 0 0 375.406 2.291 10 0 GEAERN CCOC(=O)[C@@H](C)n1cnc2c1c(=O)n(C(C)C)c(=O)n2-c1ccc(F)cc1 ZINC000037557665 221874834 /nfs/dbraw/zinc/87/48/34/221874834.db2.gz YFEXBBJJCDWWGF-GFCCVEGCSA-N 0 0 388.399 2.193 10 0 GEAERN Cc1cc(N(C(=O)CCCC(=O)NCC(=O)NC2CCCCC2)C2CC2)no1 ZINC000038804531 221885157 /nfs/dbraw/zinc/88/51/57/221885157.db2.gz LNJSBHMMLVKQLQ-UHFFFAOYSA-N 0 0 390.484 2.214 10 0 GEAERN CCCCNC(=O)Cn1c2ccsc2c(=O)n(-c2cc(F)cc(F)c2)c1=O ZINC000057428961 222031486 /nfs/dbraw/zinc/03/14/86/222031486.db2.gz FMPODURPIGGCKF-UHFFFAOYSA-N 0 0 393.415 2.408 10 0 GEAERN COc1ccc(C(=O)N[C@@H](c2nnc(N3CCOCC3)o2)c2ccccc2)cc1 ZINC000065209692 222111353 /nfs/dbraw/zinc/11/13/53/222111353.db2.gz OGTITSCSJYSGEG-GOSISDBHSA-N 0 0 394.431 2.434 10 0 GEAERN Cn1c(C(=O)NCCCN2CCCC2=O)cc2c1CCN(Cc1ccccc1)C2 ZINC000065210809 222111757 /nfs/dbraw/zinc/11/17/57/222111757.db2.gz PHFDJQORIUJOLX-UHFFFAOYSA-N 0 0 394.519 2.326 10 0 GEAERN Cc1cc2c(cc1S(=O)(=O)NCCc1ccc(Cl)cc1)n(C)c(=O)n2C ZINC000064775618 222081998 /nfs/dbraw/zinc/08/19/98/222081998.db2.gz OLAMZQJKLDSBTK-UHFFFAOYSA-N 0 0 393.896 2.360 10 0 GEAERN CCN(CC)c1cc(CCC(=O)N2CCCN(c3ncccn3)CC2)ccn1 ZINC000065270043 222119049 /nfs/dbraw/zinc/11/90/49/222119049.db2.gz AAAQHORCTDCXGN-UHFFFAOYSA-N 0 0 382.512 2.389 10 0 GEAERN CC(=O)Nc1nsc(N2CCC[C@@H](C(=O)NCc3ccc(F)cc3F)C2)n1 ZINC000065307712 222121706 /nfs/dbraw/zinc/12/17/06/222121706.db2.gz JHDOAKFZPJBCFG-GFCCVEGCSA-N 0 0 395.435 2.308 10 0 GEAERN COc1ccccc1OCCNC(=O)[C@H]1CCCN(c2nnc3ccccn32)C1 ZINC000065312238 222121806 /nfs/dbraw/zinc/12/18/06/222121806.db2.gz SJMWHIUXUKAIDP-INIZCTEOSA-N 0 0 395.463 2.150 10 0 GEAERN O=C(OC[C@@H]1O[C@@H](O)C(F)(F)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000065739742 222135129 /nfs/dbraw/zinc/13/51/29/222135129.db2.gz PRZDMMRKPZAYHW-RLFYNMQTSA-N 0 0 378.327 2.422 10 0 GEAERN CC[C@@]1(C(=O)[O-])C[C@H](C(=O)NCc2ccncn2)[C@H](c2ccc(OC)cc2)[N@@H+]1C ZINC000067514067 222148071 /nfs/dbraw/zinc/14/80/71/222148071.db2.gz YHXAJFWTPUMJID-WFXMLNOXSA-N 0 0 398.463 2.028 10 0 GEAERN CCc1cnc(N2CCC([C@]3(Cc4ccccc4)NC(=O)NC3=O)CC2)nc1 ZINC000067589001 222150688 /nfs/dbraw/zinc/15/06/88/222150688.db2.gz SUNLJMDQPYYIGJ-NRFANRHFSA-N 0 0 379.464 2.076 10 0 GEAERN Cc1oc(-c2ccno2)cc1S(=O)(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000071777119 222197298 /nfs/dbraw/zinc/19/72/98/222197298.db2.gz HIEKVEIFDZTJLZ-CYBMUJFWSA-N 0 0 379.438 2.019 10 0 GEAERN CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)C1=NS(=O)(=O)c2ccccc21 ZINC000095075327 222329173 /nfs/dbraw/zinc/32/91/73/222329173.db2.gz JUVNRIPHYIMGLQ-CYBMUJFWSA-N 0 0 379.482 2.467 10 0 GEAERN Cc1cnc(S(=O)(=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nc1Cl ZINC000095089657 222330368 /nfs/dbraw/zinc/33/03/68/222330368.db2.gz ZHQWTSLHVAVJRM-LLVKDONJSA-N 0 0 375.878 2.469 10 0 GEAERN CC(C)(C)OC(=O)NC[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000095087553 222330658 /nfs/dbraw/zinc/33/06/58/222330658.db2.gz HBTYPSYPKGJHOL-CYBMUJFWSA-N 0 0 379.482 2.372 10 0 GEAERN O=C(OC[C@H](O)CO)c1ccccc1Nc1cc[n+]([O-])c2cc(Cl)ccc12 ZINC000077293059 222277782 /nfs/dbraw/zinc/27/77/82/222277782.db2.gz QSIBSYLVSFILGA-CYBMUJFWSA-N 0 0 388.807 2.380 10 0 in-vitro GEAERN NC(=O)c1cn(S(=O)(=O)c2ccccc2)c2ncc(Br)cc12 ZINC000079033865 222302215 /nfs/dbraw/zinc/30/22/15/222302215.db2.gz MHOZKTNQWYKTGD-UHFFFAOYSA-N 0 0 380.223 2.135 10 0 GEAERN CCc1cnc(N2CC[C@@H]3CN(Cc4ccccc4)S(=O)(=O)[C@@H]3CC2)nc1 ZINC000096263667 222406204 /nfs/dbraw/zinc/40/62/04/222406204.db2.gz KIOPPGMQAHNGNJ-RTBURBONSA-N 0 0 386.521 2.470 10 0 GEAERN CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc3c(c2)OCCO3)C2(C1)CCCCC2 ZINC000096309570 222411340 /nfs/dbraw/zinc/41/13/40/222411340.db2.gz CAHMIPUXVRGFJO-OAHLLOKOSA-N 0 0 394.493 2.238 10 0 GEAERN CCC(=O)N1CCC([C@H](NC(=O)c2ccccc2F)C(=O)N[C@@H](C)CC)CC1 ZINC000036208440 517527888 /nfs/dbraw/zinc/52/78/88/517527888.db2.gz LVGOJDYOYGDQNJ-LIRRHRJNSA-N 0 0 391.487 2.487 10 0 GEAERN CC(C)(C)C(=O)NCC1CCN(c2ncnc3cc(C(N)=O)sc32)CC1 ZINC000095589781 534475696 /nfs/dbraw/zinc/47/56/96/534475696.db2.gz PFDJAZISMIJOOW-UHFFFAOYSA-N 0 0 375.498 2.169 10 0 GEAERN C[C@]1(C(=O)NCc2ccc(F)cc2)CCCN(C(=O)NC[C@H]2CCCO2)C1 ZINC000035526851 525210420 /nfs/dbraw/zinc/21/04/20/525210420.db2.gz GXAGWAJYYJDVOH-XLIONFOSSA-N 0 0 377.460 2.433 10 0 GEAERN C[C@]1(C(=O)NCc2ccc(F)cc2)CCCN(C(=O)NC[C@@H]2CCCO2)C1 ZINC000035526849 525210633 /nfs/dbraw/zinc/21/06/33/525210633.db2.gz GXAGWAJYYJDVOH-PXNSSMCTSA-N 0 0 377.460 2.433 10 0 GEAERN C[C@]1(c2ccccc2)CC(=O)N(c2ccc(S(N)(=O)=O)cc2Cl)C1=O ZINC000003627217 538791302 /nfs/dbraw/zinc/79/13/02/538791302.db2.gz YNXQAWDXDLRSCX-QGZVFWFLSA-N 0 0 378.837 2.209 10 0 GEAERN Cc1ccn2c(c1)ncc(C(=O)N1CCC[C@H]1c1ccc(C(N)=O)s1)c2=O ZINC000023505762 570364037 /nfs/dbraw/zinc/36/40/37/570364037.db2.gz FNQAJSWRXRKTMG-ZDUSSCGKSA-N 0 0 382.445 2.141 10 0 GEAERN CC(C)COC[C@@H](O)CN(CCN1CCOCC1)Cc1ccc(F)cc1F ZINC000036104014 570673145 /nfs/dbraw/zinc/67/31/45/570673145.db2.gz NDWMGSBEKNGMKA-IBGZPJMESA-N 0 0 386.483 2.133 10 0 GEAERN O=C(CN1CCN(Cc2ccccc2Cl)S1(=O)=O)NC1CCCCC1 ZINC000033045318 570696129 /nfs/dbraw/zinc/69/61/29/570696129.db2.gz ZWSSOMGKUOPOAH-UHFFFAOYSA-N 0 0 385.917 2.151 10 0 GEAERN CCc1noc2ncc(S(=O)(=O)N3C[C@@H](c4ccsc4)[C@H](CO)C3)cc12 ZINC000188877087 570732271 /nfs/dbraw/zinc/73/22/71/570732271.db2.gz BXBYBMXHTJWBPX-WFASDCNBSA-N 0 0 393.490 2.243 10 0 GEAERN COc1ccc2c(c1)[C@]1(C[C@@H]1C(=O)N1CCC[C@H]1CN1CCOCC1)CCO2 ZINC000583619838 570800463 /nfs/dbraw/zinc/80/04/63/570800463.db2.gz ORLHBYHEKMUMRO-DKZVUGQWSA-N 0 0 386.492 2.059 10 0 GEAERN Cc1cc(-n2cncn2)ccc1C(=O)N1CCCC[C@@H]1c1nnc(CN(C)C)o1 ZINC000583622110 570802212 /nfs/dbraw/zinc/80/22/12/570802212.db2.gz PBDWVQPWFVCIQP-QGZVFWFLSA-N 0 0 395.467 2.388 10 0 GEAERN Cc1cc(C(=O)N2CCCC[C@@H]2c2nnc(CN(C)C)o2)ccc1-n1cncn1 ZINC000583621980 570802502 /nfs/dbraw/zinc/80/25/02/570802502.db2.gz QTLJPCUVALZCIJ-QGZVFWFLSA-N 0 0 395.467 2.388 10 0 GEAERN CC(C)C[C@H]1NC(=O)[C@H]2CN(Cc3nc(-c4ccccc4)cs3)CCN2C1=O ZINC000014742612 570858223 /nfs/dbraw/zinc/85/82/23/570858223.db2.gz OJHPDDQPMURILD-SJLPKXTDSA-N 0 0 398.532 2.367 10 0 GEAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1cncc(Br)c1 ZINC000011007136 642365511 /nfs/dbraw/zinc/36/55/11/642365511.db2.gz XWCSMZPURGQOPR-CYBMUJFWSA-N 0 0 381.251 2.493 10 0 GEAERN C[C@@H](NS(=O)(=O)c1ccc(F)cc1F)c1ccc(S(C)(=O)=O)cc1 ZINC000015358930 642380444 /nfs/dbraw/zinc/38/04/44/642380444.db2.gz KSJKRLCCGAWALO-SNVBAGLBSA-N 0 0 375.418 2.408 10 0 GEAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1ccccc1Cl ZINC000017117115 642393458 /nfs/dbraw/zinc/39/34/58/642393458.db2.gz QAFFQDDKUYOBKC-NSHDSACASA-N 0 0 377.853 2.083 10 0 GEAERN CCS(=O)(=O)N1CCC(NC(=O)N[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000026311225 642431745 /nfs/dbraw/zinc/43/17/45/642431745.db2.gz MAEUOXGVMMDUFB-NSHDSACASA-N 0 0 375.441 2.139 10 0 GEAERN CCS(=O)(=O)N1CCC(NC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000029733381 642467990 /nfs/dbraw/zinc/46/79/90/642467990.db2.gz IKPNGCRMFCDHGW-AAEUAGOBSA-N 0 0 385.452 2.221 10 0 GEAERN O=S(=O)(c1cc(Br)cnc1Cl)N1CCN2CCCC[C@@H]2C1 ZINC000041066545 642525561 /nfs/dbraw/zinc/52/55/61/642525561.db2.gz OEMUGYLDVQJAMM-LLVKDONJSA-N 0 0 394.722 2.356 10 0 GEAERN CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@@H](C)c2cccs2)c1 ZINC000043545001 642561386 /nfs/dbraw/zinc/56/13/86/642561386.db2.gz SYJGAEIAIAMDFU-LBPRGKRZSA-N 0 0 380.491 2.497 10 0 GEAERN CC(N[C@H](C)c1ccccc1Br)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000054504190 642754500 /nfs/dbraw/zinc/75/45/00/642754500.db2.gz DJWLJEVSRDVVLU-SECBINFHSA-N 0 0 380.242 2.424 10 0 GEAERN C[C@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)c1ccc(F)c(Cl)c1 ZINC000057022163 642800367 /nfs/dbraw/zinc/80/03/67/642800367.db2.gz CBWULOAJRGAEHY-VIFPVBQESA-N 0 0 392.861 2.166 10 0 GEAERN C[C@H]1C[C@H]1NC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000069935892 643045272 /nfs/dbraw/zinc/04/52/72/643045272.db2.gz VIYFGIPDDGAXPC-SWLSCSKDSA-N 0 0 396.285 2.090 10 0 GEAERN NC(=O)c1c(F)cc(Br)cc1N1CCN(C(=O)c2ccoc2)CC1 ZINC000092829698 643073630 /nfs/dbraw/zinc/07/36/30/643073630.db2.gz PSXBDTJMTPMGBJ-UHFFFAOYSA-N 0 0 396.216 2.243 10 0 GEAERN Cc1nn(-c2ccc(Br)cc2)c(C)c1[C@@H]1NC(=O)[C@@H]2COCCN12 ZINC000093884284 643081375 /nfs/dbraw/zinc/08/13/75/643081375.db2.gz QTXHJEKMNMXCQC-GOEBONIOSA-N 0 0 391.269 2.081 10 0 GEAERN CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H](C)C(C)C ZINC000097663622 643097695 /nfs/dbraw/zinc/09/76/95/643097695.db2.gz AJYSDYBAJJXGOG-GXTWGEPZSA-N 0 0 376.519 2.386 10 0 GEAERN COCc1c(Br)cccc1NC(=O)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000102084013 643122352 /nfs/dbraw/zinc/12/23/52/643122352.db2.gz RUYMDJUYSFELCS-GHMZBOCLSA-N 0 0 385.258 2.170 10 0 GEAERN CN1CCO[C@@H](CNC(=O)NCC(C)(C)c2cccc(Br)c2)C1 ZINC000104795108 643194817 /nfs/dbraw/zinc/19/48/17/643194817.db2.gz ROAXBSUMSNPZJM-HNNXBMFYSA-N 0 0 384.318 2.357 10 0 GEAERN Brc1cc2c(cc1CN1CCO[C@H](Cn3cccn3)C1)OCCO2 ZINC000106193190 643225634 /nfs/dbraw/zinc/22/56/34/643225634.db2.gz ADCGQKWJEZHJCJ-AWEZNQCLSA-N 0 0 394.269 2.318 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)CCc2ccc(OC)c(Br)c2)CC1 ZINC000106397394 643230303 /nfs/dbraw/zinc/23/03/03/643230303.db2.gz LXWHHESAHPGBGL-HNNXBMFYSA-N 0 0 399.329 2.305 10 0 GEAERN CC(C)[C@H](NC(=O)CCOc1ccc(Cl)cc1Br)C(N)=O ZINC000107186849 643251114 /nfs/dbraw/zinc/25/11/14/643251114.db2.gz XDZSBTBHVUVNHM-ZDUSSCGKSA-N 0 0 377.666 2.498 10 0 GEAERN C[C@H](NC(=O)NCCS(=O)(=O)NCC1CCC1)c1ccc(F)c(F)c1 ZINC000109354076 643293412 /nfs/dbraw/zinc/29/34/12/643293412.db2.gz FMPHCZQNENGTQS-NSHDSACASA-N 0 0 375.441 2.045 10 0 GEAERN CC[C@@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CCN1C[C@@H](C)O ZINC000110559905 643313869 /nfs/dbraw/zinc/31/38/69/643313869.db2.gz RJZLWPMRXJBRTR-CHWSQXEVSA-N 0 0 380.432 2.262 10 0 GEAERN CC(C)C(=O)Nc1nc(CC(=O)N2CCO[C@H](c3nccs3)C2)cs1 ZINC000110881498 643322038 /nfs/dbraw/zinc/32/20/38/643322038.db2.gz YLBGBJJLWYBRFH-LBPRGKRZSA-N 0 0 380.495 2.337 10 0 GEAERN CC(C)C(=O)Nc1nc(CC(=O)N2CCO[C@@H](c3nccs3)C2)cs1 ZINC000110881501 643322074 /nfs/dbraw/zinc/32/20/74/643322074.db2.gz YLBGBJJLWYBRFH-GFCCVEGCSA-N 0 0 380.495 2.337 10 0 GEAERN CC(=O)NCc1ccc(C(=O)N2CCN(Cc3cnc(C)s3)CC2)s1 ZINC000110941792 643323184 /nfs/dbraw/zinc/32/31/84/643323184.db2.gz KYFBSNXCFBIUMJ-UHFFFAOYSA-N 0 0 378.523 2.107 10 0 GEAERN COc1cc(Br)ccc1C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111088412 643326318 /nfs/dbraw/zinc/32/63/18/643326318.db2.gz HLOVRBRCVLCAAS-CYBMUJFWSA-N 0 0 380.242 2.195 10 0 GEAERN O=C(c1ccc(I)cc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000111089420 643326338 /nfs/dbraw/zinc/32/63/38/643326338.db2.gz CZYOETSFMUIDRM-AWEZNQCLSA-N 0 0 397.216 2.029 10 0 GEAERN Cc1ccc(N2CCCN(C(=O)c3cc(Br)cn3C)CC2)nn1 ZINC000112559446 643365790 /nfs/dbraw/zinc/36/57/90/643365790.db2.gz DIYCEWOEKKCHPI-UHFFFAOYSA-N 0 0 378.274 2.239 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccccc1Br)CC2 ZINC000114947734 643428487 /nfs/dbraw/zinc/42/84/87/643428487.db2.gz BPOGVESLBGSYMZ-LBPRGKRZSA-N 0 0 378.274 2.417 10 0 GEAERN CC[C@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CCN1CCOC ZINC000117372389 643490877 /nfs/dbraw/zinc/49/08/77/643490877.db2.gz HTEZTPIVULUCEB-ZDUSSCGKSA-N 0 0 380.432 2.437 10 0 GEAERN Cc1noc([C@H](C)N2CCN(C(=O)Nc3cccnc3Br)CC2)n1 ZINC000119871417 643576652 /nfs/dbraw/zinc/57/66/52/643576652.db2.gz LZJVDUOALVBOGC-JTQLQIEISA-N 0 0 395.261 2.446 10 0 GEAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1cc(Br)cs1 ZINC000120128643 643593872 /nfs/dbraw/zinc/59/38/72/643593872.db2.gz QMDWVGJYGRIDGI-CYBMUJFWSA-N 0 0 382.283 2.406 10 0 GEAERN C[C@@H]1CN(Cn2nc(-c3cccs3)n(C3CC3)c2=S)C[C@H](C(N)=O)O1 ZINC000120265334 643596465 /nfs/dbraw/zinc/59/64/65/643596465.db2.gz VFBKQPSFPQNACS-ZYHUDNBSSA-N 0 0 379.511 2.010 10 0 GEAERN COC(=O)[C@H](O)C1CCN(C(=O)N[C@@H](C)c2cccc(Br)c2)CC1 ZINC000120503783 643612826 /nfs/dbraw/zinc/61/28/26/643612826.db2.gz WPICTSNQXSZWIG-XHDPSFHLSA-N 0 0 399.285 2.466 10 0 GEAERN CC(C)n1nnnc1CSc1nnc(-c2ccc(Br)cc2)n1N ZINC000121740569 643639520 /nfs/dbraw/zinc/63/95/20/643639520.db2.gz OGELVGYQLZSHPL-UHFFFAOYSA-N 0 0 395.290 2.281 10 0 GEAERN Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c(Cl)cc1F ZINC000123446167 643670909 /nfs/dbraw/zinc/67/09/09/643670909.db2.gz ZIYRXQQJYJNZHO-IUODEOHRSA-N 0 0 376.881 2.129 10 0 GEAERN CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000126049030 643720133 /nfs/dbraw/zinc/72/01/33/643720133.db2.gz IKHUYMCELHJGKD-GXTWGEPZSA-N 0 0 378.274 2.254 10 0 GEAERN CNS(=O)(=O)c1ccc(CNC(=O)N[C@H](C)c2ccc(F)c(F)c2)s1 ZINC000127045525 643756956 /nfs/dbraw/zinc/75/69/56/643756956.db2.gz HQNHLHAHGIODIQ-SECBINFHSA-N 0 0 389.449 2.495 10 0 GEAERN O=C(COc1ccc(Br)cc1F)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127834707 643787387 /nfs/dbraw/zinc/78/73/87/643787387.db2.gz CUFGIVIAADDVNN-GFCCVEGCSA-N 0 0 397.248 2.497 10 0 GEAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cncc(I)c1 ZINC000128045555 643791410 /nfs/dbraw/zinc/79/14/10/643791410.db2.gz DSBJWUAWWDDCHY-NSHDSACASA-N 0 0 397.220 2.105 10 0 GEAERN COc1cc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2CO)ccc1Br ZINC000130578153 643844378 /nfs/dbraw/zinc/84/43/78/643844378.db2.gz UPGZMVFAVFCVKM-MFKMUULPSA-N 0 0 385.258 2.064 10 0 GEAERN CC[C@H]1CN(S(=O)(=O)c2cc(C(C)=O)ccc2Cl)CCN1CCOC ZINC000132058930 643879911 /nfs/dbraw/zinc/87/99/11/643879911.db2.gz BRRAMKPYMIDKCK-HNNXBMFYSA-N 0 0 388.917 2.274 10 0 GEAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3cccnc3Br)CCO2)n1 ZINC000135471160 643914745 /nfs/dbraw/zinc/91/47/45/643914745.db2.gz VQSLPFRCFNSUTJ-CYBMUJFWSA-N 0 0 379.258 2.199 10 0 GEAERN CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCCC[C@H]2O)c1 ZINC000151939265 643962176 /nfs/dbraw/zinc/96/21/76/643962176.db2.gz OBTWBXIMRWVOLI-LSDHHAIUSA-N 0 0 388.917 2.450 10 0 GEAERN CCc1nnc([C@@H]2CN(C(=O)Cc3cc(Br)ccc3F)CCO2)[nH]1 ZINC000153226730 643981675 /nfs/dbraw/zinc/98/16/75/643981675.db2.gz RSMGUIIWAKMLQA-ZDUSSCGKSA-N 0 0 397.248 2.411 10 0 GEAERN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N[C@H](C(N)=O)C(C)C ZINC000153501375 643990060 /nfs/dbraw/zinc/99/00/60/643990060.db2.gz WUCIKTWYHUJOFX-AWEZNQCLSA-N 0 0 379.258 2.183 10 0 GEAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000154486925 644045599 /nfs/dbraw/zinc/04/55/99/644045599.db2.gz ZBZBXFAORJPNAN-SECBINFHSA-N 0 0 380.235 2.162 10 0 GEAERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(OC)ccc1Br ZINC000155101280 644063481 /nfs/dbraw/zinc/06/34/81/644063481.db2.gz BSAROHXVLFMYHR-ZDUSSCGKSA-N 0 0 395.257 2.461 10 0 GEAERN Cc1cnn(CCNC(=O)C(=O)Nc2ccc(Cl)c(Br)c2)c1 ZINC000155606711 644078406 /nfs/dbraw/zinc/07/84/06/644078406.db2.gz PRHZMWGNRZHNMY-UHFFFAOYSA-N 0 0 385.649 2.362 10 0 GEAERN O=C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cc(Cl)ncc1Cl ZINC000156428472 644096360 /nfs/dbraw/zinc/09/63/60/644096360.db2.gz SYZGYNNAPMKJPB-GXTWGEPZSA-N 0 0 386.191 2.121 10 0 GEAERN COC(=O)c1cc(S(=O)(=O)N2CCC(c3cc[nH]n3)CC2)ccc1Cl ZINC000156838088 644120552 /nfs/dbraw/zinc/12/05/52/644120552.db2.gz YQSZWOMSKJYCOQ-UHFFFAOYSA-N 0 0 383.857 2.418 10 0 GEAERN COc1ccc(Br)c(CC(=O)N2CCOC[C@@H]2c2nc(C)no2)c1 ZINC000158934372 644168961 /nfs/dbraw/zinc/16/89/61/644168961.db2.gz MQLZNZHOKXYLOA-CQSZACIVSA-N 0 0 396.241 2.292 10 0 GEAERN CCC[C@H](NC(=O)c1nc2ncc(Br)cn2n1)C(=O)OC(C)(C)C ZINC000161557641 644212554 /nfs/dbraw/zinc/21/25/54/644212554.db2.gz NBOAIVZMRGOVNE-JTQLQIEISA-N 0 0 398.261 2.127 10 0 GEAERN CCC[C@@H](NC(=O)c1nc2ncc(Br)cn2n1)C(=O)OC(C)(C)C ZINC000161557755 644212576 /nfs/dbraw/zinc/21/25/76/644212576.db2.gz NBOAIVZMRGOVNE-SNVBAGLBSA-N 0 0 398.261 2.127 10 0 GEAERN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCOC[C@@H]1CO ZINC000168472131 644280964 /nfs/dbraw/zinc/28/09/64/644280964.db2.gz LSACJYJSTZMRAG-KOLCDFICSA-N 0 0 378.650 2.090 10 0 GEAERN CCN1CCC[C@H](NC(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 ZINC000170893589 644295760 /nfs/dbraw/zinc/29/57/60/644295760.db2.gz UQCYSROWDPVWCJ-NSHDSACASA-N 0 0 389.315 2.067 10 0 GEAERN COc1cccc(S(=O)(=O)CCN2CCO[C@H](c3nc(C)cs3)C2)c1 ZINC000171037393 644303034 /nfs/dbraw/zinc/30/30/34/644303034.db2.gz LBUWWLLDUUUGLL-INIZCTEOSA-N 0 0 382.507 2.307 10 0 GEAERN Cc1csc([C@H]2CN(c3ncnc4c3c(Br)nn4C)CCO2)n1 ZINC000171131934 644313594 /nfs/dbraw/zinc/31/35/94/644313594.db2.gz SUQNRNJDUMPTAT-SECBINFHSA-N 0 0 395.286 2.469 10 0 GEAERN COC(=O)[C@H]1C[C@@H]1C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000171194310 644315941 /nfs/dbraw/zinc/31/59/41/644315941.db2.gz FEFAEVCEIPYWEV-STQMWFEESA-N 0 0 378.226 2.442 10 0 GEAERN C[C@H](NC(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1)c1cccs1 ZINC000171336842 644319237 /nfs/dbraw/zinc/31/92/37/644319237.db2.gz YZWMBJVIOGAIAG-QMMMGPOBSA-N 0 0 388.417 2.246 10 0 GEAERN C[C@@H]1CN(C(=O)CN2C(=O)COc3cc(Br)ccc32)CCS1 ZINC000171570468 644327886 /nfs/dbraw/zinc/32/78/86/644327886.db2.gz OARNBSZVSHLXNV-SNVBAGLBSA-N 0 0 385.283 2.138 10 0 GEAERN S=c1n(-c2cccc(Cl)c2)cnn1CN1CC[C@H](N2CCOCC2)C1 ZINC000172959795 644347725 /nfs/dbraw/zinc/34/77/25/644347725.db2.gz JBVLXFOKGFWWPB-INIZCTEOSA-N 0 0 379.917 2.421 10 0 GEAERN CCc1nnc([C@H]2CN(C(=O)c3ccc(Br)cc3OC)CCO2)[nH]1 ZINC000173097132 644351816 /nfs/dbraw/zinc/35/18/16/644351816.db2.gz FZXMUYMNRKLMFI-CYBMUJFWSA-N 0 0 395.257 2.352 10 0 GEAERN O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000177652108 644422895 /nfs/dbraw/zinc/42/28/95/644422895.db2.gz WZLVUVGJONGBNI-LBPRGKRZSA-N 0 0 383.235 2.056 10 0 GEAERN CNC(=O)[C@H](NC(=O)c1c(C)c2cc(Br)ccc2oc1=O)C(C)C ZINC000178846144 644442806 /nfs/dbraw/zinc/44/28/06/644442806.db2.gz ZKBUVHDYGYKLBR-CQSZACIVSA-N 0 0 395.253 2.364 10 0 GEAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cnn2cc(Br)cnc12 ZINC000179714091 644470064 /nfs/dbraw/zinc/47/00/64/644470064.db2.gz OEQKAUHAIUJKOF-SECBINFHSA-N 0 0 383.246 2.294 10 0 GEAERN O=C(Nc1cc(F)c(Br)c(F)c1)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000180114037 644489159 /nfs/dbraw/zinc/48/91/59/644489159.db2.gz ZNIAMBNXIBXWJE-PELKAZGASA-N 0 0 391.212 2.333 10 0 GEAERN CCN1CCC[C@@H](NS(=O)(=O)c2ccc(Br)c(C(C)=O)c2)C1 ZINC000180203634 644494291 /nfs/dbraw/zinc/49/42/91/644494291.db2.gz OAAXJEMJZHWJFZ-GFCCVEGCSA-N 0 0 389.315 2.414 10 0 GEAERN CC(C)c1nnc2n1C[C@H](NS(=O)(=O)c1ccccc1Br)CC2 ZINC000181733941 644945431 /nfs/dbraw/zinc/94/54/31/644945431.db2.gz SNCMZBPJDPPPPX-LLVKDONJSA-N 0 0 399.314 2.457 10 0 GEAERN COc1cc(/C=C/C(=O)N2CCC[C@@H](NC(C)=O)C2)cc(Br)c1O ZINC000183429457 644993124 /nfs/dbraw/zinc/99/31/24/644993124.db2.gz VJLZQUGWEOZZQT-URWSZGRFSA-N 0 0 397.269 2.304 10 0 GEAERN CNC(=O)[C@H](NC(=O)N1CCc2c(Br)ccc(F)c2C1)C(C)C ZINC000183771475 645002982 /nfs/dbraw/zinc/00/29/82/645002982.db2.gz JIKONOQIROTIQJ-CQSZACIVSA-N 0 0 386.265 2.427 10 0 GEAERN C[C@@H](NCC(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccc(F)cc1Cl ZINC000183792362 645004064 /nfs/dbraw/zinc/00/40/64/645004064.db2.gz NNXVJVZWPNYCOA-SNVBAGLBSA-N 0 0 385.848 2.416 10 0 GEAERN Cc1sc(NC(=O)CN2C[C@@H](O)C[C@@H]2CO)nc1-c1ccc(Cl)cc1 ZINC000185149536 645036354 /nfs/dbraw/zinc/03/63/54/645036354.db2.gz XPBJYHHUIQOLGE-KGLIPLIRSA-N 0 0 381.885 2.138 10 0 GEAERN O=C(NC1CN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)C1)C1CCC1 ZINC000186173908 645061842 /nfs/dbraw/zinc/06/18/42/645061842.db2.gz NUIHEKDKOKZLFO-UHFFFAOYSA-N 0 0 377.293 2.424 10 0 GEAERN CSc1ccccc1S(=O)(=O)N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000187194078 645085418 /nfs/dbraw/zinc/08/54/18/645085418.db2.gz ALZGVWMZWIUUSF-GFCCVEGCSA-N 0 0 382.511 2.167 10 0 GEAERN COC(=O)c1cccc(NC(=O)N[C@H]2CCCn3ncnc32)c1Br ZINC000192423517 645204931 /nfs/dbraw/zinc/20/49/31/645204931.db2.gz LASFXKDXBLFZJA-NSHDSACASA-N 0 0 394.229 2.484 10 0 GEAERN CNc1cc(N2CCC[C@@H]2CNC(=O)c2ncc(Br)s2)ncn1 ZINC000192429558 645205311 /nfs/dbraw/zinc/20/53/11/645205311.db2.gz KCFNRNNJPDOQDJ-SECBINFHSA-N 0 0 397.302 2.136 10 0 GEAERN COc1ccc(Br)cc1CNC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000194943729 645350168 /nfs/dbraw/zinc/35/01/68/645350168.db2.gz CBBOIDCKBPFJCT-CQSZACIVSA-N 0 0 384.274 2.268 10 0 GEAERN C[C@@H](NC(=O)COc1cccc(I)c1)[C@@H]1CCCO1 ZINC000195345362 645373495 /nfs/dbraw/zinc/37/34/95/645373495.db2.gz UMKOAQRGTQCUCJ-MFKMUULPSA-N 0 0 375.206 2.354 10 0 GEAERN CCCS(=O)(=O)N1CCN(C(=O)c2sc3c(c2OC)CCCC3)CC1 ZINC000223458940 645386545 /nfs/dbraw/zinc/38/65/45/645386545.db2.gz PELNDZRYMYPNSC-UHFFFAOYSA-N 0 0 386.539 2.133 10 0 GEAERN C[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)C[C@@H]1C ZINC000246607154 645487277 /nfs/dbraw/zinc/48/72/77/645487277.db2.gz BXCOILIZOBDVCX-WRFANHODSA-N 0 0 381.314 2.466 10 0 GEAERN C[C@H](NC(=O)NC[C@@H](O)COc1ccccc1Br)[C@@H]1CCCO1 ZINC000246950666 645499039 /nfs/dbraw/zinc/49/90/39/645499039.db2.gz NWIKDKFBSCJBKB-SCRDCRAPSA-N 0 0 387.274 2.056 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)c2cccc(Br)c2)C[C@H]1C ZINC000246971432 645499567 /nfs/dbraw/zinc/49/95/67/645499567.db2.gz DVBVCSDATDGQPD-CYBMUJFWSA-N 0 0 391.331 2.180 10 0 GEAERN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C[C@@H](O)COc1cccc(Br)c1 ZINC000248813649 645539625 /nfs/dbraw/zinc/53/96/25/645539625.db2.gz HYVZVPXKURUDAT-WNOSKKOXSA-N 0 0 398.297 2.462 10 0 GEAERN C[C@@H](NC(=O)[C@H](C)[NH2+][C@H](C)c1cccs1)c1ccc(S(N)(=O)=O)cc1 ZINC000249352935 645553176 /nfs/dbraw/zinc/55/31/76/645553176.db2.gz XGCPUKATCGFLTK-UPJWGTAASA-N 0 0 381.523 2.312 10 0 GEAERN CNC(=O)[C@H](NS(=O)(=O)/C=C\c1ccc(Br)cc1)C(C)C ZINC000254964897 645573831 /nfs/dbraw/zinc/57/38/31/645573831.db2.gz XILKIIWRDFSPTE-LJTDUEICSA-N 0 0 375.288 2.110 10 0 GEAERN CNS(=O)(=O)c1cccc([C@H](C)NS(=O)(=O)/C=C\c2ccccc2)c1 ZINC000255637435 645584018 /nfs/dbraw/zinc/58/40/18/645584018.db2.gz KKCCMUDTZVFIOH-NYHXXUGCSA-N 0 0 380.491 2.246 10 0 GEAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(c2cnc3cc(Cl)c(Cl)cc3n2)CCO1 ZINC000263386417 645663344 /nfs/dbraw/zinc/66/33/44/645663344.db2.gz DWZUQBVBVWQTDE-SNVBAGLBSA-N 0 0 385.251 2.158 10 0 GEAERN Cc1cc(Cl)ccc1S(=O)(=O)NC1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263494859 645666596 /nfs/dbraw/zinc/66/65/96/645666596.db2.gz QJKLBHIAFWJFIB-UHFFFAOYSA-N 0 0 386.901 2.254 10 0 GEAERN Cn1cc([C@@H]2CS(=O)(=O)CCN2Cc2cc(-c3cccs3)on2)cn1 ZINC000279298313 646588339 /nfs/dbraw/zinc/58/83/39/646588339.db2.gz QCZDXAIKRAFMAX-AWEZNQCLSA-N 0 0 378.479 2.108 10 0 GEAERN C[C@H]1NC(=O)CC[C@H]1NC(=O)c1ccc(I)c(Cl)c1 ZINC000281736136 646793629 /nfs/dbraw/zinc/79/36/29/646793629.db2.gz HGHVBRKLVMEILY-RDDDGLTNSA-N 0 0 392.624 2.342 10 0 GEAERN CCc1noc([C@@]2(O)CCN(S(=O)(=O)/C=C/c3ccccc3Cl)C2)n1 ZINC000328615483 647310947 /nfs/dbraw/zinc/31/09/47/647310947.db2.gz YPSKTKZOQLCQNP-OJXHRBAXSA-N 0 0 383.857 2.179 10 0 GEAERN O=S(=O)(NC[C@@H]1CCn2ccnc2C1)c1ccc(Br)s1 ZINC000328629750 647311587 /nfs/dbraw/zinc/31/15/87/647311587.db2.gz PDJOQYCRZSIYLQ-SECBINFHSA-N 0 0 376.301 2.248 10 0 GEAERN C[C@H]1NC(=O)CC[C@@H]1NCc1ncc(Br)cc1Br ZINC000392856566 647895201 /nfs/dbraw/zinc/89/52/01/647895201.db2.gz BBCLRJWDGNQQKF-XCBNKYQSSA-N 0 0 377.080 2.363 10 0 GEAERN CCN1CCO[C@H](CNCc2c(Br)cncc2Br)C1 ZINC000394530491 647896766 /nfs/dbraw/zinc/89/67/66/647896766.db2.gz ODSODAVMVUEZAV-SNVBAGLBSA-N 0 0 393.123 2.417 10 0 GEAERN O=C(c1ccc(I)c(O)c1)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398670892 647900002 /nfs/dbraw/zinc/90/00/02/647900002.db2.gz DVUOWHBGOJWJNV-SDDRHHMPSA-N 0 0 387.217 2.230 10 0 GEAERN O=C(c1ccc(I)c(O)c1)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398670899 647900220 /nfs/dbraw/zinc/90/02/20/647900220.db2.gz DVUOWHBGOJWJNV-SRVKXCTJSA-N 0 0 387.217 2.230 10 0 GEAERN COC(=O)[C@H]1CN(C(=O)c2cccc(F)c2I)C[C@H]1C ZINC000721715270 651477023 /nfs/dbraw/zinc/47/70/23/651477023.db2.gz WJYCMKCUXUHSFK-SCZZXKLOSA-N 0 0 391.180 2.311 10 0 GEAERN CN1C[C@H](CNC(=O)c2cc(Br)cc(Br)c2)CC1=O ZINC000619002679 652041873 /nfs/dbraw/zinc/04/18/73/652041873.db2.gz YODHXGIQCBDYBN-QMMMGPOBSA-N 0 0 390.075 2.420 10 0 GEAERN CN1C[C@@H](CNC(=O)c2scc(Br)c2Br)CC1=O ZINC000628107717 652451591 /nfs/dbraw/zinc/45/15/91/652451591.db2.gz OVVAQNPURPVPTF-ZCFIWIBFSA-N 0 0 396.104 2.481 10 0 GEAERN O=C(N[C@H]1CCOC[C@@H]1O)c1cc(Br)ccc1Br ZINC000629241633 652482243 /nfs/dbraw/zinc/48/22/43/652482243.db2.gz ZBBWBAWNBYEYPI-QWRGUYRKSA-N 0 0 379.048 2.091 10 0 GEAERN CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1ncc(Br)c2ccsc21 ZINC000664273808 652525241 /nfs/dbraw/zinc/52/52/41/652525241.db2.gz USKSPQKJVAZSAL-VHSXEESVSA-N 0 0 377.285 2.283 10 0 GEAERN C[C@H](CNS(=O)(=O)c1cnn2c1OCCC2)c1nc2ccccc2s1 ZINC000888077538 654065446 /nfs/dbraw/zinc/06/54/46/654065446.db2.gz HPRRSRQMMFPDTA-LLVKDONJSA-N 0 0 378.479 2.357 10 0 GEAERN Cc1cc(C)n(C2CN(C(=O)CNC(=O)c3cnc(Cl)c(Cl)c3)C2)n1 ZINC000900670316 654075558 /nfs/dbraw/zinc/07/55/58/654075558.db2.gz FYCGTVUASBTMEL-UHFFFAOYSA-N 0 0 382.251 2.015 10 0 GEAERN CN(C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)C1CCN(S(C)(=O)=O)CC1 ZINC000151940947 531523510 /nfs/dbraw/zinc/52/35/10/531523510.db2.gz QNVSWQHOQWZQAY-NWDGAFQWSA-N 0 0 385.452 2.173 10 0 GEAERN CS(=O)(=O)CCS(=O)(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000152631372 531562666 /nfs/dbraw/zinc/56/26/66/531562666.db2.gz MCFNSTBLQRSBHS-JOYOIKCWSA-N 0 0 386.322 2.061 10 0 GEAERN CC(C)[C@H](C)NC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000017056939 531573436 /nfs/dbraw/zinc/57/34/36/531573436.db2.gz NQRQTDXSTJZTDJ-NSHDSACASA-N 0 0 382.404 2.414 10 0 GEAERN O=C(c1ccncc1Br)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000152847241 531574919 /nfs/dbraw/zinc/57/49/19/531574919.db2.gz PIPHDFSQCNIZCN-KRWDZBQOSA-N 0 0 390.281 2.336 10 0 GEAERN NC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccc(Br)s1 ZINC000025903713 531615266 /nfs/dbraw/zinc/61/52/66/531615266.db2.gz XERNNONIHBDFNI-GFCCVEGCSA-N 0 0 382.283 2.406 10 0 GEAERN C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1cccc(Br)c1 ZINC000030465291 531636654 /nfs/dbraw/zinc/63/66/54/531636654.db2.gz NEUTUJUFMFRFAH-QGHHPUGFSA-N 0 0 394.269 2.347 10 0 GEAERN C[C@@H](NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)c1cccc(Br)c1 ZINC000030465337 531637746 /nfs/dbraw/zinc/63/77/46/531637746.db2.gz PATHUXDOUVDJDH-RISCZKNCSA-N 0 0 389.315 2.440 10 0 GEAERN O=C(CN1C(=O)NC2(CCCC2)C1=O)Oc1ccc(F)cc1Br ZINC000044672688 531685264 /nfs/dbraw/zinc/68/52/64/531685264.db2.gz RZBVMISOPJKQRG-UHFFFAOYSA-N 0 0 385.189 2.358 10 0 GEAERN C[C@@H]1CN(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C[C@@H](C)O1 ZINC000051118645 531741065 /nfs/dbraw/zinc/74/10/65/531741065.db2.gz RJWJHZXXMSKDBE-CHWSQXEVSA-N 0 0 387.311 2.146 10 0 GEAERN C[C@H]1CC[C@H](C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)O1 ZINC000157547549 531746452 /nfs/dbraw/zinc/74/64/52/531746452.db2.gz JZJQCTQXHXGZPQ-DZGCQCFKSA-N 0 0 386.539 2.149 10 0 GEAERN CCc1nccn1[C@H]1CCCN(S(=O)(=O)c2ccsc2C(=O)OC)C1 ZINC000157733642 531753541 /nfs/dbraw/zinc/75/35/41/531753541.db2.gz BGQNQSVEOMLLQH-LBPRGKRZSA-N 0 0 383.495 2.319 10 0 GEAERN CC(C)c1nc2n(n1)C[C@H](N[C@H](C(N)=O)c1cccc(Br)c1)CC2 ZINC000162115173 531836024 /nfs/dbraw/zinc/83/60/24/531836024.db2.gz WMWAAHWOKVAOQK-HIFRSBDPSA-N 0 0 392.301 2.295 10 0 GEAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000162737655 531849943 /nfs/dbraw/zinc/84/99/43/531849943.db2.gz UAZGIKOHHCCTPC-NSHDSACASA-N 0 0 378.734 2.461 10 0 GEAERN O=C(CNC(=O)c1ccc(Br)cc1)N[C@@H]1COc2ccccc21 ZINC000060482133 531843433 /nfs/dbraw/zinc/84/34/33/531843433.db2.gz BTKZVBSEGILJGL-CQSZACIVSA-N 0 0 375.222 2.429 10 0 GEAERN CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2cccc(Cl)c2)c1 ZINC000064572760 531868661 /nfs/dbraw/zinc/86/86/61/531868661.db2.gz QMNPHWQXAGULMO-NSHDSACASA-N 0 0 388.898 2.288 10 0 GEAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000063715213 531859701 /nfs/dbraw/zinc/85/97/01/531859701.db2.gz OJTDIRUQFPUORO-SECBINFHSA-N 0 0 395.209 2.206 10 0 GEAERN COC(=O)[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000163571187 531860950 /nfs/dbraw/zinc/86/09/50/531860950.db2.gz DHWLKJIGAZIQOU-GFCCVEGCSA-N 0 0 387.205 2.081 10 0 GEAERN O=C(CS[C@H]1CCS(=O)(=O)C1)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000168944410 531881711 /nfs/dbraw/zinc/88/17/11/531881711.db2.gz MHBWFEBWGRDDBN-QWHCGFSZSA-N 0 0 381.441 2.197 10 0 GEAERN COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000171395129 531906952 /nfs/dbraw/zinc/90/69/52/531906952.db2.gz NMSLMXCESYAZRN-TUKIKUTGSA-N 0 0 381.270 2.201 10 0 GEAERN C[C@@H](NC(=O)NCCS(=O)(=O)NCC1CCC1)c1ccc(Cl)s1 ZINC000069064904 531908776 /nfs/dbraw/zinc/90/87/76/531908776.db2.gz HKOPBZFVSFUCOS-SNVBAGLBSA-N 0 0 379.935 2.481 10 0 GEAERN CCc1nc([C@H](C)NC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cs1 ZINC000171822141 531917893 /nfs/dbraw/zinc/91/78/93/531917893.db2.gz XGJFETQYXBOJDG-QWRGUYRKSA-N 0 0 382.511 2.474 10 0 GEAERN CC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)CCO1 ZINC000172140560 531936257 /nfs/dbraw/zinc/93/62/57/531936257.db2.gz YSHNZWPSDRSGEO-ZWNOBZJWSA-N 0 0 375.252 2.124 10 0 GEAERN CC(=O)NC[C@H]1CN(C(=O)N[C@H](C)c2ccccc2Br)CCO1 ZINC000172267937 531942900 /nfs/dbraw/zinc/94/29/00/531942900.db2.gz OJVSPAQNLKKOJX-YPMHNXCESA-N 0 0 384.274 2.057 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cc3c(c(Br)c1)OCO3)CC2 ZINC000172258889 531943172 /nfs/dbraw/zinc/94/31/72/531943172.db2.gz NCMUVCNXRZQSFK-SNVBAGLBSA-N 0 0 393.241 2.077 10 0 GEAERN O=C(CCCOc1ccccc1Br)N[C@@H]1CCc2ncnn2C1 ZINC000112650909 531948835 /nfs/dbraw/zinc/94/88/35/531948835.db2.gz UIFUOFPBGPWBAK-GFCCVEGCSA-N 0 0 379.258 2.331 10 0 GEAERN CN(C)C(=O)[C@H]1CCCN1c1ncnc2ccc(I)cc21 ZINC000172380222 531949445 /nfs/dbraw/zinc/94/94/45/531949445.db2.gz ONYLHIHVFADWGD-CYBMUJFWSA-N 0 0 396.232 2.291 10 0 GEAERN Cc1c(Br)c2ccccc2n1CC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112654978 531949576 /nfs/dbraw/zinc/94/95/76/531949576.db2.gz KUFVKQUAGZAWGX-LBPRGKRZSA-N 0 0 388.269 2.435 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)Cc1ccc(F)c(Br)c1)CC2 ZINC000114865425 531957331 /nfs/dbraw/zinc/95/73/31/531957331.db2.gz KKPCMXMEOBPWDO-LLVKDONJSA-N 0 0 381.249 2.416 10 0 GEAERN CN1CCO[C@H](CNC(=O)c2cc(Br)sc2Br)C1 ZINC000116739785 531960887 /nfs/dbraw/zinc/96/08/87/531960887.db2.gz IPKOVSSXZJOWJI-SSDOTTSWSA-N 0 0 398.120 2.334 10 0 GEAERN C[C@](O)(CNC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21)c1cccs1 ZINC000172470704 531954194 /nfs/dbraw/zinc/95/41/94/531954194.db2.gz LIXQKMRSRAEDGZ-GUYCJALGSA-N 0 0 380.491 2.174 10 0 GEAERN C[C@@](O)(CNC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21)c1cccs1 ZINC000172470693 531955050 /nfs/dbraw/zinc/95/50/50/531955050.db2.gz LIXQKMRSRAEDGZ-CXAGYDPISA-N 0 0 380.491 2.174 10 0 GEAERN C[C@H](COCc1ccccc1)NC(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC000172976561 531976322 /nfs/dbraw/zinc/97/63/22/531976322.db2.gz HQFODUXBGJQQNR-KGLIPLIRSA-N 0 0 382.507 2.136 10 0 GEAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000173137207 531989557 /nfs/dbraw/zinc/98/95/57/531989557.db2.gz NHYVRUUISGQWPA-XDTLVQLUSA-N 0 0 383.242 2.084 10 0 GEAERN Cc1nc(-c2ccc(S(=O)(=O)N3CC[C@@H](N4CCOCC4)C3)s2)cs1 ZINC000121008817 532007726 /nfs/dbraw/zinc/00/77/26/532007726.db2.gz SXMYWUNSURHSLZ-CYBMUJFWSA-N 0 0 399.563 2.275 10 0 GEAERN C[C@H](NC(=O)N1CCc2nn(C)c(=O)cc2C1)c1ccccc1Br ZINC000173400525 532008811 /nfs/dbraw/zinc/00/88/11/532008811.db2.gz YODQFBJNRNKUEM-NSHDSACASA-N 0 0 391.269 2.372 10 0 GEAERN Cc1nnc([C@@H]2CN(CC(=O)Nc3ccc(Br)c(C)c3)CCO2)[nH]1 ZINC000173713828 532028163 /nfs/dbraw/zinc/02/81/63/532028163.db2.gz QUTZQVAOTOSPOH-AWEZNQCLSA-N 0 0 394.273 2.196 10 0 GEAERN COc1ccc(Br)cc1CC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000173807576 532034821 /nfs/dbraw/zinc/03/48/21/532034821.db2.gz QQKNXBAITRLKBD-CZUORRHYSA-N 0 0 397.313 2.179 10 0 GEAERN C[C@H](CNC(=O)NCc1cc(Cl)ccc1OC(F)F)N1CCOCC1 ZINC000173825291 532034989 /nfs/dbraw/zinc/03/49/89/532034989.db2.gz FLQIFQHXEGDLLH-LLVKDONJSA-N 0 0 377.819 2.461 10 0 GEAERN O=S(=O)(c1cc2c(cc1Cl)OCCO2)N1CCC[C@@H]1Cn1ccnc1 ZINC000173837083 532037205 /nfs/dbraw/zinc/03/72/05/532037205.db2.gz HJUOLJOGAJJRMN-GFCCVEGCSA-N 0 0 383.857 2.161 10 0 GEAERN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000174000255 532045166 /nfs/dbraw/zinc/04/51/66/532045166.db2.gz QZGDHPNMOCRAAO-CYBMUJFWSA-N 0 0 379.309 2.230 10 0 GEAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccccc1Br ZINC000121727661 532043780 /nfs/dbraw/zinc/04/37/80/532043780.db2.gz QSTDDQHTOLDKJU-GFCCVEGCSA-N 0 0 392.257 2.193 10 0 GEAERN Cc1nnc([C@@H]2CN(Cc3cc4c(cc3Br)OCO4)CCO2)[nH]1 ZINC000174099556 532049115 /nfs/dbraw/zinc/04/91/15/532049115.db2.gz YONGCVDKQZLRBH-AWEZNQCLSA-N 0 0 381.230 2.178 10 0 GEAERN Cc1nnc([C@H]2CN(Cc3cc4c(c(Br)c3)OCO4)CCO2)[nH]1 ZINC000174098761 532049403 /nfs/dbraw/zinc/04/94/03/532049403.db2.gz JYOVVBRNILPVHF-CYBMUJFWSA-N 0 0 381.230 2.178 10 0 GEAERN CCc1nnc(CN(C)[C@@H](C(=O)OC)c2cccc(Br)c2)n1C ZINC000122298698 532065666 /nfs/dbraw/zinc/06/56/66/532065666.db2.gz GQWVQOUDTWLFJB-OAHLLOKOSA-N 0 0 381.274 2.486 10 0 GEAERN NS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)cs1 ZINC000174874693 532080805 /nfs/dbraw/zinc/08/08/05/532080805.db2.gz MQJCLXJSRAIDTA-LSDHHAIUSA-N 0 0 380.491 2.124 10 0 GEAERN Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(Br)cc3)C2=O)n(C)n1 ZINC000174972972 532085496 /nfs/dbraw/zinc/08/54/96/532085496.db2.gz MHVSQMSKJCSGDD-CQSZACIVSA-N 0 0 391.269 2.416 10 0 GEAERN CC(C)OCCS(=O)(=O)NCC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000175272098 532096165 /nfs/dbraw/zinc/09/61/65/532096165.db2.gz DQKVRQDAARBVRP-NSHDSACASA-N 0 0 380.869 2.001 10 0 GEAERN C[C@H](NC(=O)C(=O)Nc1ccnc(C(=O)N(C)C)c1)c1ccc(Cl)s1 ZINC000123692983 532104899 /nfs/dbraw/zinc/10/48/99/532104899.db2.gz KZEDDVIIJANYHQ-VIFPVBQESA-N 0 0 380.857 2.314 10 0 GEAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)CNC(=O)c1cccc(Br)c1 ZINC000175863082 532116870 /nfs/dbraw/zinc/11/68/70/532116870.db2.gz PWUOOHJLUCJCJV-NSHDSACASA-N 0 0 399.285 2.368 10 0 GEAERN C[C@@H]1CN(C(=O)NCc2cccc(Br)c2)C[C@H]1N1CCOCC1 ZINC000175728178 532112612 /nfs/dbraw/zinc/11/26/12/532112612.db2.gz JVVWAMTWNBWIIV-CZUORRHYSA-N 0 0 382.302 2.311 10 0 GEAERN C[C@@H]1CN(C(=O)NCc2ccc(Br)cc2)C[C@H]1N1CCOCC1 ZINC000175767553 532114284 /nfs/dbraw/zinc/11/42/84/532114284.db2.gz AIFOYWPTDDUJSG-CZUORRHYSA-N 0 0 382.302 2.311 10 0 GEAERN O=C(NCCOc1ccc(Br)cc1)N[C@@H]1CCCn2ncnc21 ZINC000176461208 532139261 /nfs/dbraw/zinc/13/92/61/532139261.db2.gz IIHKYZHYOURAIG-CYBMUJFWSA-N 0 0 380.246 2.254 10 0 GEAERN C[C@@H](NC(=O)NC[C@](C)(O)c1ccsc1)c1ccc(S(C)(=O)=O)cc1 ZINC000124818550 532129577 /nfs/dbraw/zinc/12/95/77/532129577.db2.gz SQKVUVNCMJMFJB-PXAZEXFGSA-N 0 0 382.507 2.420 10 0 GEAERN CSc1ccc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)cc1Cl ZINC000176869703 532152761 /nfs/dbraw/zinc/15/27/61/532152761.db2.gz IPWOQIPASNXSLP-GFCCVEGCSA-N 0 0 379.873 2.456 10 0 GEAERN Cc1ccc([C@@H](CNC(=O)c2cc(C(N)=O)cs2)N2CCOCC2)s1 ZINC000176555337 532140893 /nfs/dbraw/zinc/14/08/93/532140893.db2.gz HSTVELJKYIYNPN-CYBMUJFWSA-N 0 0 379.507 2.020 10 0 GEAERN O=C(c1sccc1S(=O)(=O)C(F)F)N1CCC(Cn2cccn2)CC1 ZINC000125954773 532144190 /nfs/dbraw/zinc/14/41/90/532144190.db2.gz LRXROQLPECBBCX-UHFFFAOYSA-N 0 0 389.449 2.493 10 0 GEAERN Cn1cc([C@H]2CCN(C(=O)C(=O)Nc3cc(Br)ccc3F)C2)cn1 ZINC000126092729 532145069 /nfs/dbraw/zinc/14/50/69/532145069.db2.gz XANJTFVHUPBZEI-JTQLQIEISA-N 0 0 395.232 2.276 10 0 GEAERN C[C@H]1CN(C(=O)c2cccn3c(I)cnc23)C[C@H](C)O1 ZINC000176758867 532148461 /nfs/dbraw/zinc/14/84/61/532148461.db2.gz NPNKKQIZEXHOHZ-UWVGGRQHSA-N 0 0 385.205 2.188 10 0 GEAERN CCn1ccnc1CS(=O)(=O)c1nnc(Cc2cccs2)n1C1CC1 ZINC000177312751 532168701 /nfs/dbraw/zinc/16/87/01/532168701.db2.gz JLPPSDSLWHDRKW-UHFFFAOYSA-N 0 0 377.495 2.456 10 0 GEAERN CCc1nnc([C@H]2CN(C(=O)Nc3ccc(Br)c(C)n3)CCO2)[nH]1 ZINC000128796182 532168947 /nfs/dbraw/zinc/16/89/47/532168947.db2.gz RSMKTBHMKMEXJE-LLVKDONJSA-N 0 0 395.261 2.438 10 0 GEAERN C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1N1CCOCC1 ZINC000176990629 532157900 /nfs/dbraw/zinc/15/79/00/532157900.db2.gz JJFOIOIOJBNZBV-WFASDCNBSA-N 0 0 378.416 2.047 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000177002852 532158345 /nfs/dbraw/zinc/15/83/45/532158345.db2.gz PDGFEUYHQAHXKS-SNVBAGLBSA-N 0 0 376.360 2.299 10 0 GEAERN O=S(=O)(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)C[C@@H](O)CO ZINC000177671916 532178908 /nfs/dbraw/zinc/17/89/08/532178908.db2.gz HGNMEYQIQOSVNK-LBPRGKRZSA-N 0 0 381.397 2.097 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(I)c1 ZINC000177712952 532180788 /nfs/dbraw/zinc/18/07/88/532180788.db2.gz NSNVAIULEXDNOL-GFCCVEGCSA-N 0 0 382.205 2.456 10 0 GEAERN C[C@H](NC(=O)Nc1ncn(CC(=O)N(C)C)n1)c1cccc(Br)c1 ZINC000177468889 532172620 /nfs/dbraw/zinc/17/26/20/532172620.db2.gz WINYWPCNBUAKII-JTQLQIEISA-N 0 0 395.261 2.012 10 0 GEAERN C[C@H](NC(=O)Nc1ncn(CC(=O)N(C)C)n1)c1ccccc1Br ZINC000177470297 532172629 /nfs/dbraw/zinc/17/26/29/532172629.db2.gz CKLRHSVTZSYPRI-JTQLQIEISA-N 0 0 395.261 2.012 10 0 GEAERN O=C(Nc1ccc(Br)cc1)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000177520116 532174695 /nfs/dbraw/zinc/17/46/95/532174695.db2.gz RQGFTSUVOMSBQJ-GFCCVEGCSA-N 0 0 396.266 2.444 10 0 GEAERN O=C(Cc1cc2c(cc1Br)OCCO2)N[C@@H]1CCCn2ncnc21 ZINC000177574845 532176910 /nfs/dbraw/zinc/17/69/10/532176910.db2.gz JGCUZRSLXRENHB-GFCCVEGCSA-N 0 0 393.241 2.006 10 0 GEAERN O=C(Nc1ccc(Br)nc1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000178110534 532193883 /nfs/dbraw/zinc/19/38/83/532193883.db2.gz SNMSAXGHQULJEK-LBPRGKRZSA-N 0 0 376.210 2.423 10 0 GEAERN COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCc2c(Cl)cccc2C1 ZINC000131631782 532201118 /nfs/dbraw/zinc/20/11/18/532201118.db2.gz LIZOXEQUCPRKFD-UHFFFAOYSA-N 0 0 380.853 2.337 10 0 GEAERN Cn1nccc1C1CCN(C(=O)Nc2cc(Br)cn(C)c2=O)CC1 ZINC000177971111 532188530 /nfs/dbraw/zinc/18/85/30/532188530.db2.gz XFSDWPXQOYPPTF-UHFFFAOYSA-N 0 0 394.273 2.293 10 0 GEAERN CNC(=O)[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1Br)C(C)C ZINC000178713461 532210974 /nfs/dbraw/zinc/21/09/74/532210974.db2.gz UKLQBKXUQVPQGQ-NOZJJQNGSA-N 0 0 375.238 2.242 10 0 GEAERN O=C(Cc1cc(F)ccc1Br)N1CCO[C@@H](Cn2cccn2)C1 ZINC000132332908 532214097 /nfs/dbraw/zinc/21/40/97/532214097.db2.gz QZWBXLCMBQKURX-CQSZACIVSA-N 0 0 382.233 2.255 10 0 GEAERN CNC(=O)[C@H](NC(=O)Nc1ccc(I)cc1C)C(C)C ZINC000178897929 532216596 /nfs/dbraw/zinc/21/65/96/532216596.db2.gz XMJJEKYLCSKAJE-GFCCVEGCSA-N 0 0 389.237 2.492 10 0 GEAERN CNC(=O)[C@H](NC(=O)Nc1ccc(I)cc1)C(C)C ZINC000178898265 532216669 /nfs/dbraw/zinc/21/66/69/532216669.db2.gz BQJARONUZPMPQA-LLVKDONJSA-N 0 0 375.210 2.183 10 0 GEAERN CCC1CCC(NC(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)CC1 ZINC000179500975 532232237 /nfs/dbraw/zinc/23/22/37/532232237.db2.gz RPOUCVSZVLLDFC-UHFFFAOYSA-N 0 0 384.274 2.171 10 0 GEAERN O=C(c1cncc(I)c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000133382336 532233368 /nfs/dbraw/zinc/23/33/68/532233368.db2.gz RAMLKXMHJVAHDO-WFASDCNBSA-N 0 0 386.233 2.453 10 0 GEAERN C[C@H](NCCNS(=O)(=O)c1cnn(C)c1)c1c(Cl)ccc(F)c1Cl ZINC000179540203 532234759 /nfs/dbraw/zinc/23/47/59/532234759.db2.gz OMESCUDMKFRNGL-VIFPVBQESA-N 0 0 395.287 2.495 10 0 GEAERN CC(=O)N1CCN(C(=O)CN[C@@H](C)c2c(Cl)ccc(F)c2Cl)CC1 ZINC000179538063 532235248 /nfs/dbraw/zinc/23/52/48/532235248.db2.gz ARERUGFQFGAIBW-JTQLQIEISA-N 0 0 376.259 2.474 10 0 GEAERN CC(C)c1nnc2n1C[C@@H](N[C@H](C(N)=O)c1cccc(Br)c1)CC2 ZINC000179220591 532225780 /nfs/dbraw/zinc/22/57/80/532225780.db2.gz VMHBPIUEXJKNEE-ZFWWWQNUSA-N 0 0 392.301 2.295 10 0 GEAERN Cn1cc([C@H]2[C@H](C(=O)Nc3ccc(Br)nc3)CCC(=O)N2C)cn1 ZINC000134246130 532253075 /nfs/dbraw/zinc/25/30/75/532253075.db2.gz BPQFZILHZDIYAV-DOMZBBRYSA-N 0 0 392.257 2.126 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)Cc1cc(F)ccc1Br)CC2 ZINC000133578326 532238757 /nfs/dbraw/zinc/23/87/57/532238757.db2.gz DHSVHDRCIMLDQW-GFCCVEGCSA-N 0 0 381.249 2.416 10 0 GEAERN Cn1cnnc1[C@@H]1CCCN1C[C@H](O)COc1cccc(Br)c1 ZINC000179661802 532239795 /nfs/dbraw/zinc/23/97/95/532239795.db2.gz ZEWHTKFXIMZHPH-ZFWWWQNUSA-N 0 0 381.274 2.154 10 0 GEAERN O=C(c1cccnc1Br)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000135388903 532272085 /nfs/dbraw/zinc/27/20/85/532272085.db2.gz ZYFBEJLEXKDGOT-MRXNPFEDSA-N 0 0 390.281 2.336 10 0 GEAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000180074434 532256429 /nfs/dbraw/zinc/25/64/29/532256429.db2.gz AGMLBONQNOCOTA-UFBFGSQYSA-N 0 0 391.212 2.333 10 0 GEAERN Cc1nc(CN2CCCN(S(=O)(=O)c3cccc(C)c3Cl)CC2)no1 ZINC000180354430 532268776 /nfs/dbraw/zinc/26/87/76/532268776.db2.gz OWQXGXJISYWPDQ-UHFFFAOYSA-N 0 0 384.889 2.236 10 0 GEAERN C[C@H](NC(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)c1ccccc1Br ZINC000180719202 532278578 /nfs/dbraw/zinc/27/85/78/532278578.db2.gz BSGNKQGHHDFIDB-SLEUVZQESA-N 0 0 398.301 2.445 10 0 GEAERN C[C@H](NC(=O)NC[C@H](O)COc1ccccc1Br)[C@@H]1CCCO1 ZINC000136967843 532288732 /nfs/dbraw/zinc/28/87/32/532288732.db2.gz NWIKDKFBSCJBKB-OBJOEFQTSA-N 0 0 387.274 2.056 10 0 GEAERN CCc1nnc([C@@H]2CN(C(=O)NCc3ccccc3Br)CCO2)[nH]1 ZINC000137935161 532291386 /nfs/dbraw/zinc/29/13/86/532291386.db2.gz CRGZQGBFRQFUEP-ZDUSSCGKSA-N 0 0 394.273 2.413 10 0 GEAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(Br)cnc1N(C)C ZINC000151197748 532308304 /nfs/dbraw/zinc/30/83/04/532308304.db2.gz IMVLZGVHGIXESF-LBPRGKRZSA-N 0 0 393.289 2.329 10 0 GEAERN O=C(NCCOCc1ccc(Cl)cc1Cl)N[C@@H]1CCc2ncnn2C1 ZINC000181676071 532304632 /nfs/dbraw/zinc/30/46/32/532304632.db2.gz DHHILMHMEPXFHQ-CYBMUJFWSA-N 0 0 384.267 2.416 10 0 GEAERN CS(=O)(=O)CC1(CNC(=O)N[C@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000151149983 532307307 /nfs/dbraw/zinc/30/73/07/532307307.db2.gz XTGRKJVNVZZPHL-CYBMUJFWSA-N 0 0 378.416 2.284 10 0 GEAERN Cc1cc(Br)cc([C@H]2NC(=O)[C@H]3COCCN32)c1OC(F)F ZINC000182074706 532309051 /nfs/dbraw/zinc/30/90/51/532309051.db2.gz MMUPNKSVUYNRDI-PWSUYJOCSA-N 0 0 377.185 2.188 10 0 GEAERN Cc1cc(Cl)ccc1NC(=O)CS(=O)(=O)Cc1nnc(C(C)C)n1C ZINC000182395086 532312757 /nfs/dbraw/zinc/31/27/57/532312757.db2.gz TXPNXIVWYWGKTI-UHFFFAOYSA-N 0 0 384.889 2.454 10 0 GEAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1cccc(Br)n1 ZINC000182581159 532315134 /nfs/dbraw/zinc/31/51/34/532315134.db2.gz GGHOTVIDDCHHNJ-NSHDSACASA-N 0 0 381.251 2.493 10 0 GEAERN Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2c2cnn(C)c2)cnc1Br ZINC000182739423 532317016 /nfs/dbraw/zinc/31/70/16/532317016.db2.gz RIELCTSRBAECQC-CYBMUJFWSA-N 0 0 392.257 2.188 10 0 GEAERN C[C@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)c1ccc2ccccc2c1 ZINC000185462794 532337868 /nfs/dbraw/zinc/33/78/68/532337868.db2.gz GJYWFIUKKTYBSI-AWEZNQCLSA-N 0 0 384.523 2.102 10 0 GEAERN CCS(=O)(=O)c1c(Cl)cccc1CN1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000187090419 532343182 /nfs/dbraw/zinc/34/31/82/532343182.db2.gz KLYYKARUECRNSX-WMLDXEAASA-N 0 0 386.945 2.286 10 0 GEAERN COC(=O)C[C@H](NC(=O)c1cc(OC)no1)c1cccc(Br)c1 ZINC000183743659 532328405 /nfs/dbraw/zinc/32/84/05/532328405.db2.gz NXXMNZGHYOGFKC-NSHDSACASA-N 0 0 383.198 2.480 10 0 GEAERN COc1ncncc1NC(=O)C(=O)N[C@@H](C)c1ccccc1Br ZINC000184185665 532331010 /nfs/dbraw/zinc/33/10/10/532331010.db2.gz UIRZNGZNWPNNBT-VIFPVBQESA-N 0 0 379.214 2.064 10 0 GEAERN COc1ncncc1NC(=O)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000184211506 532331335 /nfs/dbraw/zinc/33/13/35/532331335.db2.gz WSZFXKWKRRDJHS-VIFPVBQESA-N 0 0 379.214 2.064 10 0 GEAERN COc1cc(C)c(Br)cc1NC(=O)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000184670119 532334330 /nfs/dbraw/zinc/33/43/30/532334330.db2.gz JYIVDYWEQGVIOG-FZMZJTMJSA-N 0 0 399.285 2.372 10 0 GEAERN Cc1nnc([C@@H]2CN(Cc3nc4cc(Br)ccc4[nH]3)CCO2)[nH]1 ZINC000184975679 532336404 /nfs/dbraw/zinc/33/64/04/532336404.db2.gz XFLORDFIUQKYAN-ZDUSSCGKSA-N 0 0 377.246 2.325 10 0 GEAERN Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CCCn3ncnc32)cc1Br ZINC000188126129 532346756 /nfs/dbraw/zinc/34/67/56/532346756.db2.gz PZTXWNUTSHPKGV-LBPRGKRZSA-N 0 0 392.257 2.247 10 0 GEAERN COC(=O)c1sccc1NC(=O)CN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188152783 532346839 /nfs/dbraw/zinc/34/68/39/532346839.db2.gz REHKSDWUTIXSDZ-STQMWFEESA-N 0 0 380.491 2.243 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)C2(c3ccccc3Br)CC2)CC1 ZINC000188661496 532349102 /nfs/dbraw/zinc/34/91/02/532349102.db2.gz VUJLPFMZQJTHLP-AWEZNQCLSA-N 0 0 381.314 2.396 10 0 GEAERN O=C(CCOc1cccc(Br)c1)N1CC(NC(=O)C2CCC2)C1 ZINC000188746570 532349349 /nfs/dbraw/zinc/34/93/49/532349349.db2.gz KGFOBNVGIWAHIL-UHFFFAOYSA-N 0 0 381.270 2.345 10 0 GEAERN O=C(NC1CN(C(=O)NCCOc2ccc(Br)cc2)C1)C1CCC1 ZINC000188830504 532349780 /nfs/dbraw/zinc/34/97/80/532349780.db2.gz MKJDBIGSPKYJNP-UHFFFAOYSA-N 0 0 396.285 2.138 10 0 GEAERN O=C(NC1CN(C(=O)NCCc2ccc(Br)cc2)C1)C1CCC1 ZINC000188857658 532349907 /nfs/dbraw/zinc/34/99/07/532349907.db2.gz WZCCDVDRYMNBEM-UHFFFAOYSA-N 0 0 380.286 2.302 10 0 GEAERN Cc1nc(C(=O)N2CCCNC(=O)[C@H]2C)nn1-c1c(Cl)cccc1Cl ZINC000188888767 532349944 /nfs/dbraw/zinc/34/99/44/532349944.db2.gz XMHNSLBMVRCELE-SECBINFHSA-N 0 0 382.251 2.233 10 0 GEAERN O=S(=O)(Cc1noc2ccccc21)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188874410 532349996 /nfs/dbraw/zinc/34/99/96/532349996.db2.gz MWTFUXBIMMIZCD-ZFWWWQNUSA-N 0 0 378.475 2.427 10 0 GEAERN O=S(=O)(c1c(Cl)nc2ccccn21)N1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188877924 532350028 /nfs/dbraw/zinc/35/00/28/532350028.db2.gz QASRDANUZXWDJR-OLZOCXBDSA-N 0 0 397.909 2.446 10 0 GEAERN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N1CCCNC(=O)[C@H]1C ZINC000188914330 532350253 /nfs/dbraw/zinc/35/02/53/532350253.db2.gz VWKULONMSARBGF-GFCCVEGCSA-N 0 0 391.269 2.294 10 0 GEAERN CO[C@H]1C[C@H](c2nc(C)no2)N(S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000189186972 532351275 /nfs/dbraw/zinc/35/12/75/532351275.db2.gz SRLQTXXJUORRIF-CMPLNLGQSA-N 0 0 375.809 2.321 10 0 GEAERN CCn1cc([C@@H]2CN(S(=O)(=O)c3cnc(Cl)c(Cl)c3)CCO2)cn1 ZINC000189221354 532351354 /nfs/dbraw/zinc/35/13/54/532351354.db2.gz RGXYORZJRSZSQB-ZDUSSCGKSA-N 0 0 391.280 2.367 10 0 GEAERN O=C(CCCOc1ccccc1Br)N1CC(NC(=O)C2CC2)C1 ZINC000189466419 532352307 /nfs/dbraw/zinc/35/23/07/532352307.db2.gz AZODMSDUGMLODP-UHFFFAOYSA-N 0 0 381.270 2.345 10 0 GEAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Br)c(F)cc2C)C1 ZINC000189938120 532354083 /nfs/dbraw/zinc/35/40/83/532354083.db2.gz RFXLRFPYLLUODF-SNVBAGLBSA-N 0 0 394.262 2.470 10 0 GEAERN O=C(Nc1ccc(Br)nc1)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000190156639 532355055 /nfs/dbraw/zinc/35/50/55/532355055.db2.gz PIYNSBGEPOIOOJ-LBPRGKRZSA-N 0 0 378.230 2.260 10 0 GEAERN O=C(Nc1cncc(Br)c1)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000190156865 532355075 /nfs/dbraw/zinc/35/50/75/532355075.db2.gz ITEWUVXQSWQNGZ-ZDUSSCGKSA-N 0 0 378.230 2.260 10 0 GEAERN COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C)c(Br)c(C)c2)C1 ZINC000190588823 532357014 /nfs/dbraw/zinc/35/70/14/532357014.db2.gz HASLVFRYIFZEIC-GFCCVEGCSA-N 0 0 397.269 2.416 10 0 GEAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000190675475 532357318 /nfs/dbraw/zinc/35/73/18/532357318.db2.gz WEPIJFCGHXBXFB-QMMMGPOBSA-N 0 0 377.750 2.034 10 0 GEAERN C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000190666700 532357398 /nfs/dbraw/zinc/35/73/98/532357398.db2.gz AHKWSIRBLDZTSJ-QMMMGPOBSA-N 0 0 377.750 2.034 10 0 GEAERN C[C@H]1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)C[C@H](C)O1 ZINC000190775840 532357893 /nfs/dbraw/zinc/35/78/93/532357893.db2.gz GQGZNNCCFHKJRX-YUMQZZPRSA-N 0 0 377.185 2.302 10 0 GEAERN COCCN1CCCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1=O ZINC000191256806 532360119 /nfs/dbraw/zinc/36/01/19/532360119.db2.gz LILYHNPTXPRBFJ-GFCCVEGCSA-N 0 0 389.279 2.468 10 0 GEAERN CC(=O)NC1CN(C(=O)Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000191490932 532361124 /nfs/dbraw/zinc/36/11/24/532361124.db2.gz FYELRJUTOXLGAF-UHFFFAOYSA-N 0 0 379.869 2.265 10 0 GEAERN O=C(CCOCC(F)(F)C(F)F)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000191729465 532365418 /nfs/dbraw/zinc/36/54/18/532365418.db2.gz LCOFDCDICBGLSX-NSHDSACASA-N 0 0 383.363 2.328 10 0 GEAERN CCCCOC[C@H](O)CN1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000193376736 532422735 /nfs/dbraw/zinc/42/27/35/532422735.db2.gz SLIRJLYWMJWVRE-QGZVFWFLSA-N 0 0 399.329 2.385 10 0 GEAERN CN1CCO[C@@H](CNC(=O)c2ccc(Cl)c(I)c2)C1 ZINC000194610100 532454132 /nfs/dbraw/zinc/45/41/32/532454132.db2.gz NACYSGPNXHOOSP-JTQLQIEISA-N 0 0 394.640 2.005 10 0 GEAERN O=C(CNC(=O)c1ccc(Br)s1)N[C@H]1COc2ccccc21 ZINC000195107505 532470230 /nfs/dbraw/zinc/47/02/30/532470230.db2.gz LJNKYKARZORPSK-JTQLQIEISA-N 0 0 381.251 2.490 10 0 GEAERN Cc1cc(C)c(NC(=O)CS(=O)(=O)Cc2nnnn2C(C)C)c(Cl)c1 ZINC000195428491 532476643 /nfs/dbraw/zinc/47/66/43/532476643.db2.gz HHDDCHZTKDISCW-UHFFFAOYSA-N 0 0 385.877 2.078 10 0 GEAERN CC(C)n1nnnc1CS(=O)(=O)Cc1noc(-c2ccc(Cl)cc2)n1 ZINC000195426413 532476923 /nfs/dbraw/zinc/47/69/23/532476923.db2.gz UBCHPWVPRGEYHU-UHFFFAOYSA-N 0 0 382.833 2.072 10 0 GEAERN O=C(c1ccc(Br)cc1Br)N1CCO[C@@H](CO)C1 ZINC000218833394 532483000 /nfs/dbraw/zinc/48/30/00/532483000.db2.gz NIBHYGLZJCZQKT-SECBINFHSA-N 0 0 379.048 2.045 10 0 GEAERN Cc1c(Cl)cccc1NC(=O)[C@@H](C)S(=O)(=O)Cc1nnnn1C(C)C ZINC000195427963 532476479 /nfs/dbraw/zinc/47/64/79/532476479.db2.gz DWHPJEQDUVICEX-LLVKDONJSA-N 0 0 385.877 2.158 10 0 GEAERN Cc1ccc(NC(=O)[C@H](C)N2CC[C@@H](N3CCOCC3)C2)c(Br)c1 ZINC000246265468 532537590 /nfs/dbraw/zinc/53/75/90/532537590.db2.gz ZCFZUSVQWCQPFA-LSDHHAIUSA-N 0 0 396.329 2.491 10 0 GEAERN Cc1cc(Br)ccc1NC(=O)CN1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246279603 532537766 /nfs/dbraw/zinc/53/77/66/532537766.db2.gz AHTHBWSTHNVVFG-YOEHRIQHSA-N 0 0 396.329 2.349 10 0 GEAERN CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000245934472 532527838 /nfs/dbraw/zinc/52/78/38/532527838.db2.gz KIWNODGXQWLZFQ-HUUCEWRRSA-N 0 0 386.901 2.374 10 0 GEAERN C[C@H](O)CN1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)C[C@H]1C ZINC000246896495 532545158 /nfs/dbraw/zinc/54/51/58/532545158.db2.gz XMBROXJEXDGSIF-KGLIPLIRSA-N 0 0 381.314 2.394 10 0 GEAERN C[C@H](O)CN1CCN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)C[C@H]1C ZINC000246087855 532531039 /nfs/dbraw/zinc/53/10/39/532531039.db2.gz JCDXVTODYXUHLO-NEPJUHHUSA-N 0 0 381.325 2.210 10 0 GEAERN C[C@@H]1CCCN(S(=O)(=O)NC[C@@H](c2cccs2)N2CCO[C@@H](C)C2)C1 ZINC000248342951 532551126 /nfs/dbraw/zinc/55/11/26/532551126.db2.gz JWNZMOPKKQYKOL-PMPSAXMXSA-N 0 0 387.571 2.076 10 0 GEAERN COCCN1CCN(S(=O)(=O)c2cc(C)cc(Br)c2)C[C@@H]1C ZINC000249059635 532559278 /nfs/dbraw/zinc/55/92/78/532559278.db2.gz GFBYGIKZIWONJY-ZDUSSCGKSA-N 0 0 391.331 2.099 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NCc2cccc(Br)c2)C1 ZINC000262896415 532606356 /nfs/dbraw/zinc/60/63/56/532606356.db2.gz CKTGIYYIYWORQQ-UHFFFAOYSA-N 0 0 384.274 2.186 10 0 GEAERN O=C([C@@H]1CC(F)(F)CN1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000263031763 532610649 /nfs/dbraw/zinc/61/06/49/532610649.db2.gz SAJOCNWGWRWHQL-STQMWFEESA-N 0 0 375.213 2.346 10 0 GEAERN C[C@@H](NC(=O)[C@H]1CC(F)(F)CN1)c1cc2c(cc1Br)OCCO2 ZINC000263079762 532613552 /nfs/dbraw/zinc/61/35/52/532613552.db2.gz XLNIEWXVMWZTKM-LDYMZIIASA-N 0 0 391.212 2.395 10 0 GEAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(c2nccc3cc(Br)ccc32)CCO1 ZINC000263432467 532625576 /nfs/dbraw/zinc/62/55/76/532625576.db2.gz UBLPNQAVIRZBBJ-CQSZACIVSA-N 0 0 394.269 2.219 10 0 GEAERN Cc1ccc(S(=O)(=O)NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)c(Cl)c1 ZINC000263470576 532626731 /nfs/dbraw/zinc/62/67/31/532626731.db2.gz HPFZEFHPZIQJMP-UHFFFAOYSA-N 0 0 386.901 2.254 10 0 GEAERN CC(C)(C)c1cn2nc(NC3CCN(S(=O)(=O)C4CC4)CC3)sc2n1 ZINC000301593254 532755050 /nfs/dbraw/zinc/75/50/50/532755050.db2.gz YZUKUISESOOKRP-UHFFFAOYSA-N 0 0 383.543 2.457 10 0 GEAERN COC(=O)[C@H]1[C@@H](C(=O)OC)N(Cc2ccccc2)C(=O)N1Cc1ccccc1 ZINC000001653457 212251832 /nfs/dbraw/zinc/25/18/32/212251832.db2.gz BBTUUSONTSSVJB-HDICACEKSA-N 0 0 382.416 2.208 10 0 GEAERN COC(=O)[C@H](CCSC)NC(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C ZINC000033807737 212159643 /nfs/dbraw/zinc/15/96/43/212159643.db2.gz OBRLTURJWRYAHR-NEPJUHHUSA-N 0 0 394.559 2.044 10 0 GEAERN COc1c2ccoc2c(OC)c(OCCN2CC[NH+](C)CC2)c1NC(C)=O ZINC000019367485 212148999 /nfs/dbraw/zinc/14/89/99/212148999.db2.gz JZCSTPTWOCVIDD-UHFFFAOYSA-N 0 0 377.441 2.035 10 0 GEAERN CC(C)(Br)C(=O)N1CCN(C(=O)C(C)(C)Br)CC1 ZINC000001672493 212144487 /nfs/dbraw/zinc/14/44/87/212144487.db2.gz PTMKFMDIRPWGMQ-UHFFFAOYSA-N 0 0 384.112 2.004 10 0 GEAERN Cc1c([C@H]2[C@H](CNc3ncc(C(N)=O)cc3Cl)CC(=O)N2C)cnn1C ZINC000328612515 212084189 /nfs/dbraw/zinc/08/41/89/212084189.db2.gz OXAZATKFNKKRCC-ZUZCIYMTSA-N 0 0 376.848 2.292 10 0 GEAERN CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC(c2ccccc2)=NO1 ZINC000006874542 220973107 /nfs/dbraw/zinc/97/31/07/220973107.db2.gz FGJMJVZPKRJJKY-UXHICEINSA-N 0 0 379.460 2.433 10 0 GEAERN Cc1ncc2c(c1CNC(=O)[C@@H]1CCCO1)CCN(C(=O)c1ccsc1)C2 ZINC000011996209 221141813 /nfs/dbraw/zinc/14/18/13/221141813.db2.gz YQZUXJODHHMFGF-SFHVURJKSA-N 0 0 385.489 2.445 10 0 GEAERN CC(C)(C)CN1CCNC(=O)[C@H]1CC(=O)N1CCc2c3ccccc3[nH]c2C1 ZINC000012075588 221148866 /nfs/dbraw/zinc/14/88/66/221148866.db2.gz XWWHTQKITPLDEL-LJQANCHMSA-N 0 0 382.508 2.289 10 0 GEAERN CCN(CC)C(=O)[C@@H]1CCCN1c1nc(C)c2ccc(S(C)(=O)=O)cc2n1 ZINC000012099928 221150207 /nfs/dbraw/zinc/15/02/07/221150207.db2.gz JKMPASHMLZJMKJ-KRWDZBQOSA-N 0 0 390.509 2.179 10 0 GEAERN COc1ccc(N2C(=O)CCCC2=O)cc1S(=O)(=O)N1CCC(C)CC1 ZINC000012202907 221166451 /nfs/dbraw/zinc/16/64/51/221166451.db2.gz DNRVLQGDGFQGME-UHFFFAOYSA-N 0 0 380.466 2.159 10 0 GEAERN O=C(NCc1ccccc1)c1nn(CCO)c2c1CN(Cc1ccccc1)CC2 ZINC000014541180 221312103 /nfs/dbraw/zinc/31/21/03/221312103.db2.gz JQEWTRGBVNBGEL-UHFFFAOYSA-N 0 0 390.487 2.364 10 0 GEAERN CSCCCNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc2ccccc21 ZINC000014958896 221320672 /nfs/dbraw/zinc/32/06/72/221320672.db2.gz YQGLNMWAEBZANS-IBGZPJMESA-N 0 0 385.533 2.400 10 0 GEAERN CC(=O)N1CCC[C@H]1C(=O)N1CCC(CO)(Cc2ccc(Cl)cc2)CC1 ZINC000015073910 221332005 /nfs/dbraw/zinc/33/20/05/221332005.db2.gz HXRGVRGWDSRCMU-SFHVURJKSA-N 0 0 378.900 2.495 10 0 GEAERN COc1ccccc1CC(=O)N1CCC[C@H](n2cc(C(=O)NCC(C)C)nn2)C1 ZINC000014988634 221324957 /nfs/dbraw/zinc/32/49/57/221324957.db2.gz HEHXZNPEVISZOU-KRWDZBQOSA-N 0 0 399.495 2.079 10 0 GEAERN COc1ccccc1CC(=O)N1CCC[C@@H](n2cc(C(=O)NCC(C)C)nn2)C1 ZINC000014988631 221325305 /nfs/dbraw/zinc/32/53/05/221325305.db2.gz HEHXZNPEVISZOU-QGZVFWFLSA-N 0 0 399.495 2.079 10 0 GEAERN CNC(=O)c1cn(CCc2ccccc2)cc(C(=O)NCc2cccs2)c1=O ZINC000014990551 221325510 /nfs/dbraw/zinc/32/55/10/221325510.db2.gz DNBJSMWBMZYWJI-UHFFFAOYSA-N 0 0 395.484 2.442 10 0 GEAERN O=C(COc1ccccc1)N1CCCC[C@H]1CCn1cc(C(=O)NC2CC2)nn1 ZINC000015003142 221326710 /nfs/dbraw/zinc/32/67/10/221326710.db2.gz SYRYTPYJOLUVKF-KRWDZBQOSA-N 0 0 397.479 2.021 10 0 GEAERN CC(=O)Nc1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccncc3)no2)cc1 ZINC000015674462 221339198 /nfs/dbraw/zinc/33/91/98/221339198.db2.gz KFEZYDYSJJVPII-MSOLQXFVSA-N 0 0 379.420 2.398 10 0 GEAERN Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCCC[C@@H]2c2ccccn2)o1 ZINC000020866388 221515761 /nfs/dbraw/zinc/51/57/61/221515761.db2.gz VNDXXRIMZLZGKP-UXHICEINSA-N 0 0 396.491 2.427 10 0 GEAERN CC(=O)Nc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(N2CCOCC2)c1 ZINC000065166145 136159767 /nfs/dbraw/zinc/15/97/67/136159767.db2.gz QHNKLCJPMVBSBA-UHFFFAOYSA-N 0 0 397.431 2.140 10 0 GEAERN Cc1ccc(NC(=O)Nc2cnn(-c3ncncc3N3CCOCC3)c2)cc1 ZINC000065283152 136162509 /nfs/dbraw/zinc/16/25/09/136162509.db2.gz XXUPXXAICZAGHB-UHFFFAOYSA-N 0 0 379.424 2.451 10 0 GEAERN O=C(NCc1ccc(F)cc1F)[C@H]1CCc2nc(N3CCOCC3)ncc2C1 ZINC000096310433 136186374 /nfs/dbraw/zinc/18/63/74/136186374.db2.gz OXSQTDLKLIOERL-ZDUSSCGKSA-N 0 0 388.418 2.013 10 0 GEAERN O=C(c1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1)c1ccc(Cl)cc1Cl ZINC000028000866 221665264 /nfs/dbraw/zinc/66/52/64/221665264.db2.gz CJXJJGDRQVUNSQ-SPUZQDLCSA-N 0 0 399.226 2.042 10 0 GEAERN CCCCNC(=O)c1cc2n(n1)CCN(Cc1cc(OC)cc(OC)c1)C2=O ZINC000034811339 221807121 /nfs/dbraw/zinc/80/71/21/221807121.db2.gz ANBNESIBMMQBEK-UHFFFAOYSA-N 0 0 386.452 2.086 10 0 GEAERN CCCn1c2nn(CC(=O)c3cccc(OC)c3)c(=O)n2c2ccccc2c1=O ZINC000035480023 221826340 /nfs/dbraw/zinc/82/63/40/221826340.db2.gz YMNCPBHCTWSKLT-UHFFFAOYSA-N 0 0 392.415 2.112 10 0 GEAERN Cc1ccc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2c(F)cccc2Cl)o1 ZINC000055197690 222018034 /nfs/dbraw/zinc/01/80/34/222018034.db2.gz GRDYQEIXJCMWGA-QGZVFWFLSA-N 0 0 393.846 2.387 10 0 GEAERN CCCN1CCN(S(=O)(=O)c2cc(-c3nnc(C4CCC4)o3)co2)CC1 ZINC000065246655 222113784 /nfs/dbraw/zinc/11/37/84/222113784.db2.gz CIVSZJSXBHOQPE-UHFFFAOYSA-N 0 0 380.470 2.313 10 0 GEAERN COC(=O)[C@@H]1C[C@@H](NC(=O)c2cccc(OC)c2)CN1Cc1cccc(F)c1 ZINC000059322691 222056673 /nfs/dbraw/zinc/05/66/73/222056673.db2.gz UUMAWLOVLRYPGQ-MJGOQNOKSA-N 0 0 386.423 2.380 10 0 GEAERN Cc1cc(N2CC[C@H](NS(=O)(=O)Cc3ccccc3F)C2=O)ccc1F ZINC000065229356 222112586 /nfs/dbraw/zinc/11/25/86/222112586.db2.gz UBDMOFVVYVIEAP-KRWDZBQOSA-N 0 0 380.416 2.498 10 0 GEAERN COc1ccc2c(c1)[C@@]1(CCN(S(=O)(=O)c3ccc(F)cc3F)C1)C(=O)N2 ZINC000065249016 222115702 /nfs/dbraw/zinc/11/57/02/222115702.db2.gz ZNPVHGMSXPHEAH-SFHVURJKSA-N 0 0 394.399 2.258 10 0 GEAERN CC(=O)N1CCc2cc(N3C[C@@H](C(=O)N[C@H](C)c4ccccn4)CC3=O)ccc21 ZINC000065307317 222121540 /nfs/dbraw/zinc/12/15/40/222121540.db2.gz BOTAQYPTSVDPPS-PBHICJAKSA-N 0 0 392.459 2.221 10 0 GEAERN Cc1ccccc1-c1c[nH]nc1C1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)CC1 ZINC000067688984 222155891 /nfs/dbraw/zinc/15/58/91/222155891.db2.gz PCUODCUNRMTPOX-CQSZACIVSA-N 0 0 390.509 2.029 10 0 GEAERN CCCc1nn(C)c2c1nc(-c1cc(NC(N)=S)ccc1OCC)[nH]c2=O ZINC000071973647 222201970 /nfs/dbraw/zinc/20/19/70/222201970.db2.gz SLZSIHNEAADBSF-UHFFFAOYSA-N 0 0 386.481 2.330 10 0 GEAERN CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1=NS(=O)(=O)c2ccccc21 ZINC000095075476 222328904 /nfs/dbraw/zinc/32/89/04/222328904.db2.gz BMMBWNLBGPXEIJ-ZDUSSCGKSA-N 0 0 379.482 2.324 10 0 GEAERN Cc1nc(Nc2cccc(C[NH+]3CCCC3)c2)nc(OCC(=O)[O-])c1CCO ZINC000073700249 222271091 /nfs/dbraw/zinc/27/10/91/222271091.db2.gz RBANXKSCRYVDCC-UHFFFAOYSA-N 0 0 386.452 2.123 10 0 GEAERN CN(C(=O)OC(C)(C)C)C1CCN(C(=O)[C@@H]2CO[C@H]3C=CC=C[C@@H]3O2)CC1 ZINC000079440300 222305788 /nfs/dbraw/zinc/30/57/88/222305788.db2.gz RDEARKJOFPQHRQ-ULQDDVLXSA-N 0 0 378.469 2.123 10 0 GEAERN CCc1ccccc1NC(=O)c1[nH]c(C)c(S(=O)(=O)N2CCOCC2)c1C ZINC000096320023 222411826 /nfs/dbraw/zinc/41/18/26/222411826.db2.gz GAIFHFFPXCBUNE-UHFFFAOYSA-N 0 0 391.493 2.467 10 0 GEAERN Cc1ccc(CN(Cc2ccncc2)C(=O)C2CCN(CC(N)=O)CC2)s1 ZINC000097574889 570247070 /nfs/dbraw/zinc/24/70/70/570247070.db2.gz BKFOVQRCZQRVRS-UHFFFAOYSA-N 0 0 386.521 2.178 10 0 GEAERN O=C(c1cccc(N2CCNC2=O)c1)N1CCc2[nH]cnc2[C@H]1c1ccccn1 ZINC000020999127 570287205 /nfs/dbraw/zinc/28/72/05/570287205.db2.gz XARUUADHECORMT-LJQANCHMSA-N 0 0 388.431 2.122 10 0 GEAERN O=C1CCc2cc(OCCCCc3nnnn3C3CCC(O)CC3)ccc2N1 ZINC000021981165 570300773 /nfs/dbraw/zinc/30/07/73/570300773.db2.gz KFXNZXLUGHLDBB-UHFFFAOYSA-N 0 0 385.468 2.436 10 0 in-vitro GEAERN O=C(NC[C@@H]1CCCO1)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)o1 ZINC000035423317 570354821 /nfs/dbraw/zinc/35/48/21/570354821.db2.gz UFGQTFPHPWZPGZ-AWEZNQCLSA-N 0 0 392.415 2.199 10 0 GEAERN Cc1cc(N(C)C)nc(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1 ZINC000224191584 570436547 /nfs/dbraw/zinc/43/65/47/570436547.db2.gz DFQPDJHJTZXSTD-UHFFFAOYSA-N 0 0 390.387 2.228 10 0 GEAERN COC(=O)[C@H](O)C1CCN(C(=O)c2nc(-c3ccccc3F)oc2C)CC1 ZINC000133862913 570468796 /nfs/dbraw/zinc/46/87/96/570468796.db2.gz OVNHSIHRSAREFL-MRXNPFEDSA-N 0 0 376.384 2.175 10 0 GEAERN CC(C)[NH+]1CCN([C@H]2C[C@@H](C(=O)[O-])CN(C(=O)OCc3ccccc3)C2)CC1 ZINC000536957764 570470684 /nfs/dbraw/zinc/47/06/84/570470684.db2.gz FJIZNOKRRQTMLC-MOPGFXCFSA-N 0 0 389.496 2.124 10 0 GEAERN COCCN(Cc1nc2sc(C)c(C)c2c(=O)[nH]1)C[C@H](O)COCC(C)C ZINC000036204432 570569140 /nfs/dbraw/zinc/56/91/40/570569140.db2.gz ZVWARKSYBLAPFU-HNNXBMFYSA-N 0 0 397.541 2.083 10 0 GEAERN CC[C@H](C(=O)NCc1cccnc1)n1c2ccc(C)cc2c(=O)n(CC)c1=O ZINC000096318365 570619298 /nfs/dbraw/zinc/61/92/98/570619298.db2.gz QQOZCUBVKOCQTC-QGZVFWFLSA-N 0 0 380.448 2.154 10 0 GEAERN Cn1nc(-c2nc(-c3ccc(F)cc3)no2)c2c1CCN(C(=O)[C@H]1CCCO1)C2 ZINC000096331465 570620239 /nfs/dbraw/zinc/62/02/39/570620239.db2.gz RGIPPMOCWCZUJM-MRXNPFEDSA-N 0 0 397.410 2.340 10 0 GEAERN C[C@@H](CNC(=O)[C@H]1CCCN(S(=O)(=O)N2CCCCC2)C1)c1ccccc1 ZINC000006894373 570693797 /nfs/dbraw/zinc/69/37/97/570693797.db2.gz CZGDNPZAUCEFNI-HKUYNNGSSA-N 0 0 393.553 2.349 10 0 GEAERN O=C(Cn1c(=O)oc2ccccc21)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 ZINC000244873611 570697909 /nfs/dbraw/zinc/69/79/09/570697909.db2.gz WSYXSOHCQZVXRY-MRUHUIDDSA-N 0 0 394.427 2.158 10 0 GEAERN CCn1cc([C@H]2CN(S(=O)(=O)Cc3cccc4cccnc43)CCO2)cn1 ZINC000189218857 570749309 /nfs/dbraw/zinc/74/93/09/570749309.db2.gz CAJWLZSBMQSNGZ-GOSISDBHSA-N 0 0 386.477 2.355 10 0 GEAERN CCc1noc2ncc(S(=O)(=O)N3C[C@H](CO)[C@@H](c4ccsc4)C3)cc12 ZINC000249196997 570763935 /nfs/dbraw/zinc/76/39/35/570763935.db2.gz BXBYBMXHTJWBPX-IUODEOHRSA-N 0 0 393.490 2.243 10 0 GEAERN COc1ccc2c(c1)[C@]1(C[C@@H]1C(=O)N1CCC[C@@H]1CN1CCOCC1)CCO2 ZINC000583619839 570800593 /nfs/dbraw/zinc/80/05/93/570800593.db2.gz ORLHBYHEKMUMRO-ZWDAVXSWSA-N 0 0 386.492 2.059 10 0 GEAERN C[C@H]1CCCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2cccnc2)CC3)C1 ZINC000583621094 570800941 /nfs/dbraw/zinc/80/09/41/570800941.db2.gz GBCDVSYCXRLUTK-HOTGVXAUSA-N 0 0 381.480 2.143 10 0 GEAERN C[C@@H](NC(=O)c1cnn2c1C[C@H](CNC(=O)c1cccnc1)CC2)C(C)(C)C ZINC000583621725 570801755 /nfs/dbraw/zinc/80/17/55/570801755.db2.gz CCZYMCSXESHHHF-HUUCEWRRSA-N 0 0 383.496 2.435 10 0 GEAERN CCOc1cc(N2CCO[C@@H](CN(Cc3cc(C)[nH]c3C)C(C)=O)C2)ncn1 ZINC000252537154 570991645 /nfs/dbraw/zinc/99/16/45/570991645.db2.gz KLOFNNUEZSVNLP-GOSISDBHSA-N 0 0 387.484 2.074 10 0 GEAERN CCOc1ccc(CNS(=O)(=O)c2ccc3[nH]c(=O)sc3c2)cc1OC ZINC000004875751 571004369 /nfs/dbraw/zinc/00/43/69/571004369.db2.gz WJSDYRPADZVTII-UHFFFAOYSA-N 0 0 394.474 2.475 10 0 GEAERN C[C@H](NC(=O)CNC1=NS(=O)(=O)c2ccccc21)c1ccc(Cl)cc1 ZINC000015768775 642383263 /nfs/dbraw/zinc/38/32/63/642383263.db2.gz XPENYRACOCJREE-NSHDSACASA-N 0 0 377.853 2.256 10 0 GEAERN C[C@@H]1CN(Cn2nc(-c3cccs3)n(CCC(N)=O)c2=S)C[C@@H](C)O1 ZINC000025469044 642422915 /nfs/dbraw/zinc/42/29/15/642422915.db2.gz KNPOBDGIKLJINR-VXGBXAGGSA-N 0 0 381.527 2.085 10 0 GEAERN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000041109408 642525932 /nfs/dbraw/zinc/52/59/32/642525932.db2.gz GPAPDCHYVFGQBY-HOTGVXAUSA-N 0 0 386.901 2.374 10 0 GEAERN C[C@@H]1CN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@@H](C)O1 ZINC000048167648 642645021 /nfs/dbraw/zinc/64/50/21/642645021.db2.gz ZOOJUDOFVOZIEB-JMSVASOKSA-N 0 0 381.270 2.438 10 0 GEAERN CNS(=O)(=O)c1ccc([C@H](C)NS(=O)(=O)/C=C\c2ccccc2)cc1 ZINC000053670716 642734864 /nfs/dbraw/zinc/73/48/64/642734864.db2.gz UDNKWAWGCWGJGF-DINCDJDBSA-N 0 0 380.491 2.246 10 0 GEAERN COC(=O)C[C@H](NC(=O)NCCn1ccnc1)c1cccc(Br)c1 ZINC000054819668 642761115 /nfs/dbraw/zinc/76/11/15/642761115.db2.gz BBHHMLHWTCBPGK-AWEZNQCLSA-N 0 0 395.257 2.249 10 0 GEAERN C[C@@H](NC(=O)CCNS(=O)(=O)c1cccnc1)c1ccc(F)c(Cl)c1 ZINC000055746133 642782127 /nfs/dbraw/zinc/78/21/27/642782127.db2.gz JDUYSSATKCFXIQ-LLVKDONJSA-N 0 0 385.848 2.420 10 0 GEAERN C[C@@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)c1ccc(F)c(Cl)c1 ZINC000057022164 642800394 /nfs/dbraw/zinc/80/03/94/642800394.db2.gz CBWULOAJRGAEHY-SECBINFHSA-N 0 0 392.861 2.166 10 0 GEAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2Br)C1 ZINC000066918832 642949971 /nfs/dbraw/zinc/94/99/71/642949971.db2.gz HBVJYRSZXQNMLG-LLVKDONJSA-N 0 0 376.272 2.331 10 0 GEAERN Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1[C@H]1NC(=O)[C@H]2COCCN21 ZINC000093884351 643081441 /nfs/dbraw/zinc/08/14/41/643081441.db2.gz SEIVQHZYWRWBHB-CJNGLKHVSA-N 0 0 381.263 2.376 10 0 GEAERN O=C1N[C@H](c2csc(-c3cccc(Br)c3)n2)N2CCOC[C@@H]12 ZINC000093884583 643081512 /nfs/dbraw/zinc/08/15/12/643081512.db2.gz XORHHMJAWTWVJP-STQMWFEESA-N 0 0 380.267 2.402 10 0 GEAERN CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1c[nH]c2nccc(Cl)c12 ZINC000093924145 643084010 /nfs/dbraw/zinc/08/40/10/643084010.db2.gz DMHPWNZIHJKRMQ-SNVBAGLBSA-N 0 0 380.861 2.184 10 0 GEAERN O=S(=O)(c1c[nH]c2nccc(Cl)c12)N1CC[C@H](Oc2cccnc2)C1 ZINC000093925473 643084467 /nfs/dbraw/zinc/08/44/67/643084467.db2.gz PWWCZRQRSHCZMW-LBPRGKRZSA-N 0 0 378.841 2.453 10 0 GEAERN Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H]1CCCC[C@H]1O ZINC000103298215 643161455 /nfs/dbraw/zinc/16/14/55/643161455.db2.gz HPSMPKOEJBSVMM-UONOGXRCSA-N 0 0 384.274 2.299 10 0 GEAERN C[C@@H](NC(=O)c1cc(S(C)(=O)=O)ccc1Br)[C@H]1CCCO1 ZINC000103374007 643163679 /nfs/dbraw/zinc/16/36/79/643163679.db2.gz RMUJXOGQGHMLTH-NOZJJQNGSA-N 0 0 376.272 2.150 10 0 GEAERN CC(C)[C@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 ZINC000103731275 643172469 /nfs/dbraw/zinc/17/24/69/643172469.db2.gz CIWNCSFUOIQILQ-JTQLQIEISA-N 0 0 377.304 2.474 10 0 GEAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC000104118055 643177803 /nfs/dbraw/zinc/17/78/03/643177803.db2.gz ACCPEEZTFMLCTG-SNVBAGLBSA-N 0 0 395.308 2.288 10 0 GEAERN Cc1nc(C[C@H]2CCCN(S(=O)(=O)c3cc(F)c(F)cc3F)C2)no1 ZINC000105620846 643212650 /nfs/dbraw/zinc/21/26/50/643212650.db2.gz WZPNYCRQZMULMF-SNVBAGLBSA-N 0 0 375.372 2.439 10 0 GEAERN CN(CC(=O)N(C)c1nccs1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106160613 643224185 /nfs/dbraw/zinc/22/41/85/643224185.db2.gz RNLXYSBDPZWVGH-AWEZNQCLSA-N 0 0 380.539 2.173 10 0 GEAERN CC(=O)N[C@@H]1CCCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)C1 ZINC000106623515 643236176 /nfs/dbraw/zinc/23/61/76/643236176.db2.gz NIRCMCRTCQBRBX-OAHLLOKOSA-N 0 0 391.269 2.376 10 0 GEAERN CC(=O)N[C@@H]1CCCN(C(=O)c2csc(I)c2)C1 ZINC000107454640 643255988 /nfs/dbraw/zinc/25/59/88/643255988.db2.gz APUTZBBBCJLULB-SNVBAGLBSA-N 0 0 378.235 2.093 10 0 GEAERN CNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)s1 ZINC000109082549 643289458 /nfs/dbraw/zinc/28/94/58/643289458.db2.gz MTYCMICTQBZDJN-NWDGAFQWSA-N 0 0 386.445 2.354 10 0 GEAERN CN(C[C@@H](c1cccs1)N1CCOCC1)c1ncc(C(N)=O)cc1Cl ZINC000109320631 643292934 /nfs/dbraw/zinc/29/29/34/643292934.db2.gz LDXAFVKDOLZTKC-AWEZNQCLSA-N 0 0 380.901 2.405 10 0 GEAERN CCOc1ccnc(N2CCN(C(=O)c3cc(Cl)c(Cl)n3C)CC2)n1 ZINC000109653319 643298934 /nfs/dbraw/zinc/29/89/34/643298934.db2.gz UEJJIZYSYOCIII-UHFFFAOYSA-N 0 0 384.267 2.483 10 0 GEAERN CCCCCS(=O)(=O)CC(=O)N1CCCN(Cc2csc(C)n2)CC1 ZINC000109652386 643299111 /nfs/dbraw/zinc/29/91/11/643299111.db2.gz SUOZRYJVMJQYHM-UHFFFAOYSA-N 0 0 387.571 2.091 10 0 GEAERN Cc1cnn([C@H]2CCCN(C(=O)CNC(=O)c3ccc(Br)o3)C2)c1 ZINC000109684180 643299812 /nfs/dbraw/zinc/29/98/12/643299812.db2.gz QGOQTKGRJQXNCB-LBPRGKRZSA-N 0 0 395.257 2.141 10 0 GEAERN O=C(c1ccccc1I)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111082310 643326162 /nfs/dbraw/zinc/32/61/62/643326162.db2.gz SRHRKEWCWYOSDC-GFCCVEGCSA-N 0 0 397.216 2.029 10 0 GEAERN O=S(=O)(c1c(Cl)nc2ccccn21)N1CCO[C@H](c2nccs2)C1 ZINC000111343684 643334745 /nfs/dbraw/zinc/33/47/45/643334745.db2.gz VDXGPUNGMXBVIS-JTQLQIEISA-N 0 0 384.870 2.206 10 0 GEAERN Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)c3ccc(F)c(Cl)c3)CCO2)n1 ZINC000111345550 643335567 /nfs/dbraw/zinc/33/55/67/643335567.db2.gz QMTVVFCCAREDJK-ZDUSSCGKSA-N 0 0 387.864 2.382 10 0 GEAERN O=C(NCc1ccccc1Br)N1CCO[C@H](Cn2cccn2)C1 ZINC000111844573 643348323 /nfs/dbraw/zinc/34/83/23/643348323.db2.gz VDDWNFANZVGRCR-AWEZNQCLSA-N 0 0 379.258 2.256 10 0 GEAERN CCc1csc([C@@H]2CCCN(C(=O)CNS(=O)(=O)c3cccs3)C2)n1 ZINC000113204132 643385098 /nfs/dbraw/zinc/38/50/98/643385098.db2.gz YWIFUGNRBBWELD-GFCCVEGCSA-N 0 0 399.563 2.452 10 0 GEAERN COCCN1CCN(C(=O)COc2ccc(Br)cc2F)C[C@H]1C ZINC000117294164 643486815 /nfs/dbraw/zinc/48/68/15/643486815.db2.gz AZXXINJMIFWWOP-GFCCVEGCSA-N 0 0 389.265 2.146 10 0 GEAERN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1nc(C(N)=O)cs1 ZINC000118636636 643516993 /nfs/dbraw/zinc/51/69/93/643516993.db2.gz QEFAQMCDVACOSO-GFCCVEGCSA-N 0 0 380.857 2.289 10 0 GEAERN C[C@H](NC(=O)c1ccc(Br)cc1O)c1ccc(S(N)(=O)=O)cc1 ZINC000120016757 643585463 /nfs/dbraw/zinc/58/54/63/643585463.db2.gz ZIRLBHHOLDQAEN-VIFPVBQESA-N 0 0 399.266 2.293 10 0 GEAERN Cc1cccc(Nc2nn(CN3C[C@@H](C)O[C@@H](C(N)=O)C3)c(=S)s2)c1 ZINC000120196929 643595158 /nfs/dbraw/zinc/59/51/58/643595158.db2.gz OCVKDSSNZNDQDF-DGCLKSJQSA-N 0 0 379.511 2.258 10 0 GEAERN C[C@@H](NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl)[C@H]1CCCO1 ZINC000122043477 643648947 /nfs/dbraw/zinc/64/89/47/643648947.db2.gz AJYJSGGOZRXEFY-ZWNOBZJWSA-N 0 0 395.308 2.346 10 0 GEAERN CNS(=O)(=O)c1ccc(C(=O)O[C@H](c2nc(C)cs2)C(F)(F)F)o1 ZINC000122118322 643650435 /nfs/dbraw/zinc/65/04/35/643650435.db2.gz CSPITWPJYRQIPT-SECBINFHSA-N 0 0 384.357 2.413 10 0 GEAERN O=C(c1ccc(I)cc1)N1CCC[C@H](Cn2cncn2)C1 ZINC000127056724 643757491 /nfs/dbraw/zinc/75/74/91/643757491.db2.gz IODGLQAECZFTAO-LBPRGKRZSA-N 0 0 396.232 2.435 10 0 GEAERN Cc1cc(I)cc(C(=O)N[C@@H]2CCc3ncnn3C2)c1C ZINC000128423652 643802944 /nfs/dbraw/zinc/80/29/44/643802944.db2.gz KRPUXIVKNQIETE-GFCCVEGCSA-N 0 0 396.232 2.244 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)Nc1ccc(Br)c(C)n1)CC2 ZINC000128579175 643805304 /nfs/dbraw/zinc/80/53/04/643805304.db2.gz UMNPCFWPQIFDKN-JTQLQIEISA-N 0 0 379.262 2.443 10 0 GEAERN COC(=O)[C@@H]1CN(C(=O)c2csc(I)c2)C[C@@H]1C ZINC000128959705 643815941 /nfs/dbraw/zinc/81/59/41/643815941.db2.gz BRQRPZBDHFAIEZ-IONNQARKSA-N 0 0 379.219 2.234 10 0 GEAERN O=C(C(=O)N1CCO[C@H](c2nccs2)C1)N1CCc2c1cccc2Cl ZINC000130779951 643850509 /nfs/dbraw/zinc/85/05/09/643850509.db2.gz JDIYARCHPJCGTP-AWEZNQCLSA-N 0 0 377.853 2.286 10 0 GEAERN CCN1CCC[C@@H](NS(=O)(=O)c2cccc(I)c2)C1 ZINC000151094845 643930167 /nfs/dbraw/zinc/93/01/67/643930167.db2.gz JMOFVLHLXHINKM-GFCCVEGCSA-N 0 0 394.278 2.054 10 0 GEAERN CCN1CCC[C@H](NS(=O)(=O)c2cccc(I)c2)C1 ZINC000151094779 643930352 /nfs/dbraw/zinc/93/03/52/643930352.db2.gz JMOFVLHLXHINKM-LBPRGKRZSA-N 0 0 394.278 2.054 10 0 GEAERN O=C(CCNC(=O)c1ccc(Br)cc1)NC[C@H]1CCCC[C@H]1O ZINC000155607528 644078501 /nfs/dbraw/zinc/07/85/01/644078501.db2.gz WFBAXXGLMOOYNC-UKRRQHHQSA-N 0 0 383.286 2.236 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cccc(C)c1Br ZINC000156554074 644103481 /nfs/dbraw/zinc/10/34/81/644103481.db2.gz GQFMGCXRHXHACQ-LLVKDONJSA-N 0 0 385.287 2.471 10 0 GEAERN CCn1cnnc1[C@H]1CCCN(C(=O)c2cc(Br)c(C)[nH]c2=O)C1 ZINC000163160364 644250623 /nfs/dbraw/zinc/25/06/23/644250623.db2.gz FRSGKSWHSZNJRF-NSHDSACASA-N 0 0 394.273 2.489 10 0 GEAERN CNS(=O)(=O)c1cc(C(=O)O[C@@H](c2nc(C)cs2)C(F)(F)F)co1 ZINC000166904299 644279194 /nfs/dbraw/zinc/27/91/94/644279194.db2.gz XDZOJEUCDAHIOC-VIFPVBQESA-N 0 0 384.357 2.413 10 0 GEAERN C[C@@H](OC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)c1cccs1 ZINC000171106952 644310480 /nfs/dbraw/zinc/31/04/80/644310480.db2.gz UWTNHEJZWOYSHA-MRVPVSSYSA-N 0 0 397.254 2.258 10 0 GEAERN C[C@@H]1CN(C(=O)NCCNC(=O)c2cccc(Br)c2)CCS1 ZINC000171437372 644322387 /nfs/dbraw/zinc/32/23/87/644322387.db2.gz YBUMINKOMNOMHN-LLVKDONJSA-N 0 0 386.315 2.326 10 0 GEAERN C[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)CCS1 ZINC000171582061 644328389 /nfs/dbraw/zinc/32/83/89/644328389.db2.gz IQQOTBLHBNMQDL-AWEZNQCLSA-N 0 0 382.551 2.198 10 0 GEAERN CC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)CCN1CCOC ZINC000172263956 644338242 /nfs/dbraw/zinc/33/82/42/644338242.db2.gz VFCBOKCHTUIEIV-LLVKDONJSA-N 0 0 382.313 2.120 10 0 GEAERN COc1cc(Br)ccc1C(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000173089533 644349783 /nfs/dbraw/zinc/34/97/83/644349783.db2.gz ZPYZOQIYAAMZAB-CYBMUJFWSA-N 0 0 381.230 2.098 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)CCOc3cccc(Br)c3)CCO2)[nH]1 ZINC000173090112 644350331 /nfs/dbraw/zinc/35/03/31/644350331.db2.gz URYHBZOULVUWNU-AWEZNQCLSA-N 0 0 395.257 2.245 10 0 GEAERN CCc1nnc([C@@H]2CN(C(=O)COc3ccc(Br)cc3)CCO2)[nH]1 ZINC000173094657 644350924 /nfs/dbraw/zinc/35/09/24/644350924.db2.gz DRIXCPHZTRLARA-ZDUSSCGKSA-N 0 0 395.257 2.109 10 0 GEAERN C[C@H](C(=O)OC(C)(C)C)N(C)Cn1nc(Br)nc1Br ZINC000175239030 644387595 /nfs/dbraw/zinc/38/75/95/644387595.db2.gz ONNMVHZHEUPKJA-SSDOTTSWSA-N 0 0 398.099 2.423 10 0 GEAERN C[C@@H](C(=O)OC(C)(C)C)N(C)Cn1nc(Br)nc1Br ZINC000175239015 644387799 /nfs/dbraw/zinc/38/77/99/644387799.db2.gz ONNMVHZHEUPKJA-ZETCQYMHSA-N 0 0 398.099 2.423 10 0 GEAERN C[C@@H](C(=O)N(C)c1ccc(Br)nc1)N1C(=O)c2ccccc2C1=O ZINC000175320718 644389348 /nfs/dbraw/zinc/38/93/48/644389348.db2.gz XQJMMWSFSOXYAJ-JTQLQIEISA-N 0 0 388.221 2.492 10 0 GEAERN O=C(/C=C/c1ccc(I)o1)N[C@H]1CCCn2ncnc21 ZINC000177571897 644419117 /nfs/dbraw/zinc/41/91/17/644419117.db2.gz NZPYTICYSYDSEV-RWCYGVJQSA-N 0 0 384.177 2.140 10 0 GEAERN C[C@@H](OC(=O)c1ccc(S(C)(=O)=O)c(Br)c1)[C@H]1CCOC1 ZINC000180021025 644484291 /nfs/dbraw/zinc/48/42/91/644484291.db2.gz XUQAODNDOPUPPI-KOLCDFICSA-N 0 0 377.256 2.434 10 0 GEAERN CC(=O)c1cc(S(=O)(=O)N[C@@H](C)[C@H]2CCCO2)ccc1Br ZINC000180169879 644492764 /nfs/dbraw/zinc/49/27/64/644492764.db2.gz BRKHCWGIIWLRAH-LKFCYVNXSA-N 0 0 376.272 2.498 10 0 GEAERN CC(C)CS(=O)(=O)N1CCC(NS(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000180244893 644497241 /nfs/dbraw/zinc/49/72/41/644497241.db2.gz UYLOJWUVDBNAOC-JLHYYAGUSA-N 0 0 386.539 2.027 10 0 GEAERN O=S(=O)(c1ccc(C(F)(F)F)nc1)N1CCO[C@H](c2nccs2)C1 ZINC000181992728 644954653 /nfs/dbraw/zinc/95/46/53/644954653.db2.gz FNOZVUITPZKFTB-JTQLQIEISA-N 0 0 379.385 2.319 10 0 GEAERN Cc1noc([C@@H](C)N2CCN(C(=O)c3cccc(Br)n3)CC2)n1 ZINC000182613237 644965845 /nfs/dbraw/zinc/96/58/45/644965845.db2.gz AKPZCVOLFDKYCF-SNVBAGLBSA-N 0 0 380.246 2.055 10 0 GEAERN CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000185153351 645036915 /nfs/dbraw/zinc/03/69/15/645036915.db2.gz AAGUPIVNGKYGOU-WDEREUQCSA-N 0 0 390.864 2.425 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CCN(C(=O)Cc2cccc(Br)c2)CC1 ZINC000186644782 645070217 /nfs/dbraw/zinc/07/02/17/645070217.db2.gz VOOHSJOKUSZAFO-UHFFFAOYSA-N 0 0 383.286 2.389 10 0 GEAERN COc1nc(C)c(Br)cc1C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000186742146 645073573 /nfs/dbraw/zinc/07/35/73/645073573.db2.gz ZFCDLUXNKZKWLI-GFCCVEGCSA-N 0 0 380.246 2.326 10 0 GEAERN C[C@H](NC(=O)c1c[nH]nc1-c1ccsc1)c1ccc(S(N)(=O)=O)cc1 ZINC000187190374 645084710 /nfs/dbraw/zinc/08/47/10/645084710.db2.gz DNIRIVHNPDVMQN-JTQLQIEISA-N 0 0 376.463 2.277 10 0 GEAERN COCCN1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C[C@@H]1C ZINC000187973858 645102268 /nfs/dbraw/zinc/10/22/68/645102268.db2.gz OEVAYNOXJLCVOP-JTQLQIEISA-N 0 0 385.288 2.474 10 0 GEAERN C[C@H](NC(=O)c1nc(Br)cs1)c1ccc(S(N)(=O)=O)cc1 ZINC000188741250 645123877 /nfs/dbraw/zinc/12/38/77/645123877.db2.gz LARPCLYQOIDUAI-ZETCQYMHSA-N 0 0 390.284 2.044 10 0 GEAERN CCn1cc([C@H]2CN(Cn3ncn(CC(F)(F)F)c3=S)CCO2)cn1 ZINC000189853480 645144425 /nfs/dbraw/zinc/14/44/25/645144425.db2.gz NATCDWKLDFWQGC-GFCCVEGCSA-N 0 0 376.408 2.224 10 0 GEAERN C[C@@H](NC(=O)NCCC(=O)N1CCOCC1)c1cccc(Br)c1 ZINC000192481386 645208860 /nfs/dbraw/zinc/20/88/60/645208860.db2.gz UOXVOMLBJKZHNE-GFCCVEGCSA-N 0 0 384.274 2.058 10 0 GEAERN Cc1c(Br)ccc(NC(=O)C(=O)N[C@@H]2CCCn3ncnc32)c1F ZINC000193131033 645244562 /nfs/dbraw/zinc/24/45/62/645244562.db2.gz LLZVOHIQBPFXEX-LLVKDONJSA-N 0 0 396.220 2.078 10 0 GEAERN Cc1nc(Cl)ccc1NC(=O)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000193320084 645266680 /nfs/dbraw/zinc/26/66/80/645266680.db2.gz FHKXFSZSZZHFTL-STQMWFEESA-N 0 0 379.869 2.278 10 0 GEAERN Cc1cnn([C@@H]2CCCN(C(=O)C(=O)Nc3ccc(Br)cn3)C2)c1 ZINC000193476020 645276992 /nfs/dbraw/zinc/27/69/92/645276992.db2.gz VHGIFOAQIKBCGT-CYBMUJFWSA-N 0 0 392.257 2.151 10 0 GEAERN O=C([C@@H]1Cc2cc(Br)ccc2O1)N1CCC[C@H](n2cncn2)C1 ZINC000194263668 645320482 /nfs/dbraw/zinc/32/04/82/645320482.db2.gz AETFAYJOPAZJGU-ZFWWWQNUSA-N 0 0 377.242 2.208 10 0 GEAERN Cn1c(=S)n(CN2CCCC[C@@H]2c2nccs2)nc1N1CCOCC1 ZINC000195301530 645371119 /nfs/dbraw/zinc/37/11/19/645371119.db2.gz GFBLUMIZGCPEGP-CYBMUJFWSA-N 0 0 380.543 2.429 10 0 GEAERN O=C(c1cc(Br)cc(Br)c1)N1CCO[C@@H](CO)C1 ZINC000222961702 645386457 /nfs/dbraw/zinc/38/64/57/645386457.db2.gz LZTAVTMHMMIIBD-LLVKDONJSA-N 0 0 379.048 2.045 10 0 GEAERN C[C@@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C[C@H]1N1CCOCC1 ZINC000246644987 645487922 /nfs/dbraw/zinc/48/79/22/645487922.db2.gz ZWSABOXKUPVKTD-IUODEOHRSA-N 0 0 378.416 2.137 10 0 GEAERN C[C@H](Oc1ccccc1Br)C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246942032 645499075 /nfs/dbraw/zinc/49/90/75/645499075.db2.gz KAGSRDSJHTUGCK-IJEWVQPXSA-N 0 0 397.313 2.396 10 0 GEAERN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)cc2Cl)CCN1C[C@H](C)O ZINC000247098192 645504491 /nfs/dbraw/zinc/50/44/91/645504491.db2.gz QEJAAICHRMFDKJ-WCQYABFASA-N 0 0 388.295 2.236 10 0 GEAERN C[C@H](C(=O)Nc1ccccc1Br)N1CCO[C@@H](Cn2cccn2)C1 ZINC000247594949 645514726 /nfs/dbraw/zinc/51/47/26/645514726.db2.gz KDNKAFIOZMMXMY-ZIAGYGMSSA-N 0 0 393.285 2.374 10 0 GEAERN COCC[N@@H+]1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@@H]1C ZINC000247774074 645518265 /nfs/dbraw/zinc/51/82/65/645518265.db2.gz QAMVBBDDBKDGNP-DZGCQCFKSA-N 0 0 377.312 2.386 10 0 GEAERN Cc1noc([C@H]2COCCN2C[C@@H](O)COc2ccc(Cl)cc2Cl)n1 ZINC000249372726 645553789 /nfs/dbraw/zinc/55/37/89/645553789.db2.gz XDIRKYWDDSQEEU-TZMCWYRMSA-N 0 0 388.251 2.498 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)[C@@H](C)Oc2cccc(Br)c2)C1 ZINC000262686452 645641332 /nfs/dbraw/zinc/64/13/32/645641332.db2.gz CQRLSJMDQLKSNX-LMWSTFAQSA-N 0 0 399.285 2.270 10 0 GEAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(Cc2cc(Cl)ccc2OC(F)F)CCO1 ZINC000262786912 645645223 /nfs/dbraw/zinc/64/52/23/645645223.db2.gz CRAUDEHNFGUJQU-ZDUSSCGKSA-N 0 0 378.803 2.159 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Cc2ccc(C)c(Br)c2)C1 ZINC000263430256 645664710 /nfs/dbraw/zinc/66/47/10/645664710.db2.gz NGEYHFHNERTJSH-UHFFFAOYSA-N 0 0 383.286 2.354 10 0 GEAERN O=C(N[C@H]1CCOC[C@H]1O)c1ccc(Br)cc1Br ZINC000629247286 652482709 /nfs/dbraw/zinc/48/27/09/652482709.db2.gz XDMMFYLBYIHQAU-WDEREUQCSA-N 0 0 379.048 2.091 10 0 GEAERN COc1ccc(CCC(=O)N2CC[C@@H](n3ccnn3)C2)cc1Br ZINC000585321652 652533072 /nfs/dbraw/zinc/53/30/72/652533072.db2.gz ZTZKTFMGOLPPAR-CYBMUJFWSA-N 0 0 379.258 2.455 10 0 GEAERN CN1C[C@@H](C[NH2+]Cc2cc(Br)c([O-])c(Br)c2)CC1=O ZINC000668617069 652653110 /nfs/dbraw/zinc/65/31/10/652653110.db2.gz VRVKQDOCYWIZCB-SECBINFHSA-N 0 0 392.091 2.485 10 0 GEAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cc(Cl)nc(Cl)c2)C1 ZINC000702796745 653320360 /nfs/dbraw/zinc/32/03/60/653320360.db2.gz OQGPHWNAQQAPHL-MNOVXSKESA-N 0 0 390.267 2.346 10 0 GEAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2ccccc2Br)C1 ZINC000702852559 653320764 /nfs/dbraw/zinc/32/07/64/653320764.db2.gz SOHJZESVTJEFFN-FZMZJTMJSA-N 0 0 399.285 2.407 10 0 GEAERN CCc1noc([C@]2(O)CCN(S(=O)(=O)/C=C\c3ccccc3Cl)C2)n1 ZINC000779875789 653613985 /nfs/dbraw/zinc/61/39/85/653613985.db2.gz YPSKTKZOQLCQNP-BJIFSAINSA-N 0 0 383.857 2.179 10 0 GEAERN NC(=O)[C@H](c1ccc(Br)cc1)N1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000931120605 654729893 /nfs/dbraw/zinc/72/98/93/654729893.db2.gz BLFBVEDJJJOLHW-HOCLYGCPSA-N 0 0 390.285 2.391 10 0 GEAERN Cc1c(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)sc2nc(C)nc(C)c12 ZINC000024685272 230913232 /nfs/dbraw/zinc/91/32/32/230913232.db2.gz GSAMXESXXYZASF-CYBMUJFWSA-N 0 0 396.538 2.160 10 0 GEAERN CCc1csc([C@@H]2CCCN(C(=O)c3cc(S(N)(=O)=O)c(C)o3)C2)n1 ZINC000151467988 531504844 /nfs/dbraw/zinc/50/48/44/531504844.db2.gz RHGDWHZSPSKSKN-LLVKDONJSA-N 0 0 383.495 2.274 10 0 GEAERN C[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)O1 ZINC000151498838 531506913 /nfs/dbraw/zinc/50/69/13/531506913.db2.gz PQEXAGKXCGFIEJ-WFASDCNBSA-N 0 0 381.270 2.301 10 0 GEAERN C[C@H]1CC[C@H](C(=O)NCCC(=O)N(C)Cc2ccccc2Br)O1 ZINC000153985201 531617637 /nfs/dbraw/zinc/61/76/37/531617637.db2.gz UVFYTVKEPUIMNI-SWLSCSKDSA-N 0 0 383.286 2.481 10 0 GEAERN Cc1noc([C@@H](C)N2CCN(C(=O)c3ccc(Br)c(O)c3)CC2)n1 ZINC000154745839 531630675 /nfs/dbraw/zinc/63/06/75/531630675.db2.gz HNPROCOGJNLRJY-SNVBAGLBSA-N 0 0 395.257 2.365 10 0 GEAERN Cc1noc([C@H](C)N2CCN(C(=O)c3ccc(Br)c(O)c3)CC2)n1 ZINC000154745951 531630904 /nfs/dbraw/zinc/63/09/04/531630904.db2.gz HNPROCOGJNLRJY-JTQLQIEISA-N 0 0 395.257 2.365 10 0 GEAERN O=C(Nc1ccc(Br)c(Cl)c1)C(=O)N[C@H]1CCCn2ncnc21 ZINC000154788126 531634121 /nfs/dbraw/zinc/63/41/21/531634121.db2.gz MHJPRQYXMHAAAX-NSHDSACASA-N 0 0 398.648 2.284 10 0 GEAERN C[C@H](NC(=O)[C@H]1CCCCN1S(C)(=O)=O)c1cccc(Br)c1 ZINC000030465348 531636619 /nfs/dbraw/zinc/63/66/19/531636619.db2.gz PATHUXDOUVDJDH-SMDDNHRTSA-N 0 0 389.315 2.440 10 0 GEAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000155153419 531660373 /nfs/dbraw/zinc/66/03/73/531660373.db2.gz BNNJPIZUKZQGAS-JTQLQIEISA-N 0 0 393.241 2.297 10 0 GEAERN CN(C)C[C@@H]1CN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)CCO1 ZINC000155282575 531671773 /nfs/dbraw/zinc/67/17/73/531671773.db2.gz VEADBQCBIMXMKD-CYBMUJFWSA-N 0 0 381.325 2.030 10 0 GEAERN C[C@H]1CN(C(=O)Cc2ccc(Br)c(F)c2)C[C@H]1N1CCOCC1 ZINC000157851240 531758006 /nfs/dbraw/zinc/75/80/06/531758006.db2.gz ZUBDSMIGDYJGOI-BLLLJJGKSA-N 0 0 385.277 2.310 10 0 GEAERN NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)s1 ZINC000056152924 531808392 /nfs/dbraw/zinc/80/83/92/531808392.db2.gz SIOHBOCVWDZWGU-ZBFHGGJFSA-N 0 0 380.491 2.180 10 0 GEAERN C[C@H](NC(=O)C(=O)Nc1cnc(N(C)C)nc1)c1cccc(Br)c1 ZINC000163329334 531857652 /nfs/dbraw/zinc/85/76/52/531857652.db2.gz ILXIOQUGLSQWKO-JTQLQIEISA-N 0 0 392.257 2.121 10 0 GEAERN Cc1cnn([C@@H]2CCCN(C(=O)C(=O)Nc3ccc(Br)nc3)C2)c1 ZINC000163485557 531858412 /nfs/dbraw/zinc/85/84/12/531858412.db2.gz PWKSUTMJNINLRF-CYBMUJFWSA-N 0 0 392.257 2.151 10 0 GEAERN O=C(CNS(=O)(=O)c1cccs1)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000168576516 531881688 /nfs/dbraw/zinc/88/16/88/531881688.db2.gz HSSUHJXMXUNUEY-GFCCVEGCSA-N 0 0 392.424 2.316 10 0 GEAERN CN(C)C(=O)[C@H]1CCCN1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000067376079 531882653 /nfs/dbraw/zinc/88/26/53/531882653.db2.gz MEWBEWKFARCGIH-CQSZACIVSA-N 0 0 393.285 2.476 10 0 GEAERN COC(=O)C[C@H](NC(=O)[C@H](C)n1cncn1)c1cccc(Br)c1 ZINC000171929806 531924712 /nfs/dbraw/zinc/92/47/12/531924712.db2.gz IFGCZAOUORXJLV-GWCFXTLKSA-N 0 0 381.230 2.022 10 0 GEAERN Brc1csc(CN2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000172014155 531930021 /nfs/dbraw/zinc/93/00/21/531930021.db2.gz ZWIJBUUZXYDVOY-UHFFFAOYSA-N 0 0 379.287 2.271 10 0 GEAERN COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000172076234 531932684 /nfs/dbraw/zinc/93/26/84/531932684.db2.gz YALFOCPWNYWAIK-LLVKDONJSA-N 0 0 383.857 2.038 10 0 GEAERN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000172071774 531933458 /nfs/dbraw/zinc/93/34/58/531933458.db2.gz NNMFETNHQVATJD-OAHLLOKOSA-N 0 0 384.479 2.056 10 0 GEAERN CC(=O)NC[C@@H]1CN(C(=O)N[C@H](C)c2cccc(Br)c2)CCO1 ZINC000172272483 531942752 /nfs/dbraw/zinc/94/27/52/531942752.db2.gz NKLSCWKLBLQWNT-IAQYHMDHSA-N 0 0 384.274 2.057 10 0 GEAERN Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3cccc4c3N=S=N4)CCO2)c1 ZINC000112093920 531944476 /nfs/dbraw/zinc/94/44/76/531944476.db2.gz YLOGFVCLRTUEMS-GFCCVEGCSA-N 0 0 379.467 2.008 10 0 GEAERN Cc1ccc(OCCC(=O)N[C@@H]2CCc3ncnn3C2)c(Br)c1 ZINC000112657562 531949391 /nfs/dbraw/zinc/94/93/91/531949391.db2.gz YRPYXTXOCJBVCV-GFCCVEGCSA-N 0 0 379.258 2.249 10 0 GEAERN O=C(CCCOc1ccccc1Br)N[C@H]1CCc2ncnn2C1 ZINC000112650913 531950338 /nfs/dbraw/zinc/95/03/38/531950338.db2.gz UIFUOFPBGPWBAK-LBPRGKRZSA-N 0 0 379.258 2.331 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)Cc1ccc(F)c(Br)c1)CC2 ZINC000114865427 531957463 /nfs/dbraw/zinc/95/74/63/531957463.db2.gz KKPCMXMEOBPWDO-NSHDSACASA-N 0 0 381.249 2.416 10 0 GEAERN O=C(N[C@H]1CCc2ncnn2C1)N1CCc2cccc(Br)c2C1 ZINC000172605422 531961374 /nfs/dbraw/zinc/96/13/74/531961374.db2.gz CAMWZFQCKQLWDM-LBPRGKRZSA-N 0 0 376.258 2.123 10 0 GEAERN C[C@@H](CNC(=O)N1CCc2cccc(Br)c2C1)N1CCOCC1 ZINC000172426802 531952779 /nfs/dbraw/zinc/95/27/79/531952779.db2.gz YIWLXICXDBFTSG-ZDUSSCGKSA-N 0 0 382.302 2.238 10 0 GEAERN C[C@@H](NC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1)c1cccs1 ZINC000172686429 531965302 /nfs/dbraw/zinc/96/53/02/531965302.db2.gz AWUJIILDTQJKRY-GFCCVEGCSA-N 0 0 380.491 2.101 10 0 GEAERN C[C@@H](Oc1cccc(Br)c1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172758683 531966845 /nfs/dbraw/zinc/96/68/45/531966845.db2.gz NABOJNQQUMNLPM-UKRRQHHQSA-N 0 0 383.286 2.150 10 0 GEAERN O=C(N[C@@H]1CCCn2ncnc21)c1ccc(F)c(I)c1 ZINC000120243291 531977853 /nfs/dbraw/zinc/97/78/53/531977853.db2.gz KBQFNQXVJMRCBZ-LLVKDONJSA-N 0 0 386.168 2.287 10 0 GEAERN Cc1nnc([C@H]2CN([C@@H](C)C(=O)Nc3cccc(Br)c3)CCO2)[nH]1 ZINC000173015236 531980648 /nfs/dbraw/zinc/98/06/48/531980648.db2.gz RDTBDRLSSGDGHL-IINYFYTJSA-N 0 0 394.273 2.276 10 0 GEAERN C[C@@H]1COC[C@@H](C)N1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000120858699 531998783 /nfs/dbraw/zinc/99/87/83/531998783.db2.gz ZKUBVNHMOXOLKY-CHWSQXEVSA-N 0 0 387.311 2.146 10 0 GEAERN CCc1nnc([C@H]2CN(C(=O)Cc3cccc(Br)c3)CCO2)[nH]1 ZINC000173569140 532021015 /nfs/dbraw/zinc/02/10/15/532021015.db2.gz AZPLDBKKXWQLLT-CYBMUJFWSA-N 0 0 379.258 2.272 10 0 GEAERN Cc1oc(C(=O)N[C@H](C)c2cccc(Br)c2)cc1S(N)(=O)=O ZINC000121337271 532023354 /nfs/dbraw/zinc/02/33/54/532023354.db2.gz MWNALKHCOKWQGB-MRVPVSSYSA-N 0 0 387.255 2.489 10 0 GEAERN CC(C)CCN(CCC(C)C)S(=O)(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173645942 532024834 /nfs/dbraw/zinc/02/48/34/532024834.db2.gz QYCYJCMDFAUEAJ-SFHVURJKSA-N 0 0 375.579 2.032 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCN(C)c2ccc(Cl)cc21 ZINC000173677511 532026394 /nfs/dbraw/zinc/02/63/94/532026394.db2.gz XTXXZDYPMHJJSX-HNNXBMFYSA-N 0 0 385.917 2.327 10 0 GEAERN COc1ccc(CNC(=O)N2CC[C@H](N3CCOCC3)C2)cc1Br ZINC000173799191 532033781 /nfs/dbraw/zinc/03/37/81/532033781.db2.gz HCXKAMGLWREHSH-AWEZNQCLSA-N 0 0 398.301 2.074 10 0 GEAERN CCc1nnc([C@H]2CN(S(=O)(=O)c3c(Cl)cccc3Cl)CCO2)[nH]1 ZINC000173839808 532037852 /nfs/dbraw/zinc/03/78/52/532037852.db2.gz FATXMAHGEWIAAI-LLVKDONJSA-N 0 0 391.280 2.436 10 0 GEAERN CNc1cc(N2CCC[C@H]2CNS(=O)(=O)c2cccc(Cl)c2)ncn1 ZINC000173899234 532040722 /nfs/dbraw/zinc/04/07/22/532040722.db2.gz GGWJPNNCEQOSBY-ZDUSSCGKSA-N 0 0 381.889 2.119 10 0 GEAERN C[C@@H](NS(=O)(=O)c1sccc1Br)c1nnc2n1CCCC2 ZINC000121736603 532044567 /nfs/dbraw/zinc/04/45/67/532044567.db2.gz MFUAFYNILSVFBL-MRVPVSSYSA-N 0 0 391.316 2.478 10 0 GEAERN O=C(CN1CC[C@@H](N2CCOCC2)C1)Nc1nc(-c2cccs2)cs1 ZINC000173989598 532045744 /nfs/dbraw/zinc/04/57/44/532045744.db2.gz HIQJRHPDEXNNLU-CYBMUJFWSA-N 0 0 378.523 2.217 10 0 GEAERN COc1cc(Br)c(CN2CCO[C@H](c3nnc(C)[nH]3)C2)cc1OC ZINC000174100065 532049378 /nfs/dbraw/zinc/04/93/78/532049378.db2.gz FHEGLZPAAKUABF-HNNXBMFYSA-N 0 0 397.273 2.466 10 0 GEAERN C[NH+](C)C[C@H]1CN(C(=O)c2cc(Br)cc(Cl)c2[O-])CCO1 ZINC000174339855 532061999 /nfs/dbraw/zinc/06/19/99/532061999.db2.gz QJWMSQRJJLQZGQ-JTQLQIEISA-N 0 0 377.666 2.211 10 0 GEAERN O=C([C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1)N1CCCO1 ZINC000122520495 532073036 /nfs/dbraw/zinc/07/30/36/532073036.db2.gz OCMILQKMICPHSJ-HNNXBMFYSA-N 0 0 378.475 2.028 10 0 GEAERN CCN(CC)C(=O)C(=O)Nc1cc(F)c(F)cc1I ZINC000174679709 532074052 /nfs/dbraw/zinc/07/40/52/532074052.db2.gz IHPDLECDORWNQR-UHFFFAOYSA-N 0 0 382.148 2.376 10 0 GEAERN O=C(Nc1cc(F)c(Br)cc1F)C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000123073707 532091672 /nfs/dbraw/zinc/09/16/72/532091672.db2.gz CSBCHBSPJDKNFV-QPUJVOFHSA-N 0 0 391.212 2.333 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)NCc3cccc(Br)c3)CCO2)[nH]1 ZINC000175462678 532104020 /nfs/dbraw/zinc/10/40/20/532104020.db2.gz FKQGXRSMZQRFCE-CYBMUJFWSA-N 0 0 380.246 2.159 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)NCc3ccc(Br)cc3)CCO2)[nH]1 ZINC000175514389 532106067 /nfs/dbraw/zinc/10/60/67/532106067.db2.gz GWOUZOHGUJGJMS-CYBMUJFWSA-N 0 0 380.246 2.159 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc(C)c(Br)cn1 ZINC000176076653 532124849 /nfs/dbraw/zinc/12/48/49/532124849.db2.gz IMYRWSCPGYJRNP-LBPRGKRZSA-N 0 0 390.303 2.295 10 0 GEAERN Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)o1 ZINC000124542766 532124232 /nfs/dbraw/zinc/12/42/32/532124232.db2.gz XCWRGBUJZUMATB-GFCCVEGCSA-N 0 0 384.479 2.068 10 0 GEAERN CC[C@H](NC(=O)N[C@H](C)c1ccccc1Br)C(=O)N1CCOCC1 ZINC000176349952 532135010 /nfs/dbraw/zinc/13/50/10/532135010.db2.gz SEMADGKAWDDXGI-DOMZBBRYSA-N 0 0 398.301 2.447 10 0 GEAERN O=C(NCCS(=O)(=O)NCC1CCC1)N1CCCC[C@@H]1c1nccs1 ZINC000176345741 532135406 /nfs/dbraw/zinc/13/54/06/532135406.db2.gz LFSGKBNKUJUTOB-CQSZACIVSA-N 0 0 386.543 2.099 10 0 GEAERN NS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCCc3cc(F)ccc32)s1 ZINC000125514130 532136897 /nfs/dbraw/zinc/13/68/97/532136897.db2.gz WCTAVGRAIUEMMY-CQSZACIVSA-N 0 0 383.470 2.411 10 0 GEAERN Cc1[nH]c(=O)c(C(=O)N2CCC[C@H](Cn3cncn3)C2)cc1Br ZINC000127422126 532153983 /nfs/dbraw/zinc/15/39/83/532153983.db2.gz RNDWQOWIBOSGQM-NSHDSACASA-N 0 0 380.246 2.002 10 0 GEAERN Cc1nc(CN2CCCN(S(=O)(=O)c3sc(C)nc3C)CC2)cs1 ZINC000176925374 532155681 /nfs/dbraw/zinc/15/56/81/532155681.db2.gz ZZELHNUOECQBQE-UHFFFAOYSA-N 0 0 386.568 2.421 10 0 GEAERN Cc1ccc([C@@H](CNC(=O)c2cc(N)nc(Cl)c2)N2CCOCC2)s1 ZINC000176567770 532141504 /nfs/dbraw/zinc/14/15/04/532141504.db2.gz WOBXVVKHNSIJBG-CYBMUJFWSA-N 0 0 380.901 2.490 10 0 GEAERN COc1ccc(Cl)cc1NC(=O)CC[S@@](=O)Cc1nnnn1C(C)C ZINC000176573523 532142023 /nfs/dbraw/zinc/14/20/23/532142023.db2.gz ZQFZUVOEGBXPLW-RUZDIDTESA-N 0 0 385.877 2.194 10 0 GEAERN O=C(NCc1ccc(O)c(Br)c1)N1CCC[C@@H](n2cncn2)C1 ZINC000126170212 532146235 /nfs/dbraw/zinc/14/62/35/532146235.db2.gz RJEUUKIKPKUGNT-GFCCVEGCSA-N 0 0 380.246 2.293 10 0 GEAERN O=C(c1cc(I)c[nH]1)N1CCC(Cn2cccn2)CC1 ZINC000126216656 532146383 /nfs/dbraw/zinc/14/63/83/532146383.db2.gz YUHDTAXLDOYUEC-UHFFFAOYSA-N 0 0 384.221 2.368 10 0 GEAERN O=S(=O)(/C=C/c1cccc(Br)c1)N[C@@H]1CCCn2ncnc21 ZINC000176743777 532148942 /nfs/dbraw/zinc/14/89/42/532148942.db2.gz QFAOCQYYIMRGRG-STMXVASLSA-N 0 0 383.271 2.466 10 0 GEAERN C[C@@H]1CN(Cc2cc3c(c(Br)c2)OCO3)C[C@@H]1N1CCOCC1 ZINC000177227036 532165701 /nfs/dbraw/zinc/16/57/01/532165701.db2.gz IXTUCCNOPOGERU-DOMZBBRYSA-N 0 0 383.286 2.330 10 0 GEAERN C[C@H]1CN(CC(=O)Nc2ccc(Br)cc2)C[C@@H]1N1CCOCC1 ZINC000177249757 532166632 /nfs/dbraw/zinc/16/66/32/532166632.db2.gz QJIVMPALBSYHTA-BBRMVZONSA-N 0 0 382.302 2.040 10 0 GEAERN Cc1cc(NC(=O)CN2C[C@H](C)[C@H](N3CCOCC3)C2)ccc1Br ZINC000177279974 532167634 /nfs/dbraw/zinc/16/76/34/532167634.db2.gz XZRWXLSCLOHVRS-WMLDXEAASA-N 0 0 396.329 2.349 10 0 GEAERN Cc1nc(NC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)ccc1Br ZINC000128789290 532168371 /nfs/dbraw/zinc/16/83/71/532168371.db2.gz QEZFVSARKQVHJM-FZMZJTMJSA-N 0 0 383.290 2.337 10 0 GEAERN COc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000176950822 532156576 /nfs/dbraw/zinc/15/65/76/532156576.db2.gz BHSVSJADAXGHLS-PWSUYJOCSA-N 0 0 385.258 2.388 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000177002883 532158611 /nfs/dbraw/zinc/15/86/11/532158611.db2.gz OPXNICLEUIASTF-GFCCVEGCSA-N 0 0 376.360 2.299 10 0 GEAERN COc1cc(Br)cc(C)c1NC(=O)C(=O)NCCn1cc(C)cn1 ZINC000177026840 532159648 /nfs/dbraw/zinc/15/96/48/532159648.db2.gz MQDFWSBCJQWBTN-UHFFFAOYSA-N 0 0 395.257 2.026 10 0 GEAERN CC[C@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CCN1C[C@@H](C)O ZINC000177612086 532177873 /nfs/dbraw/zinc/17/78/73/532177873.db2.gz DHRYTFXJQMYMGH-ABAIWWIYSA-N 0 0 388.295 2.236 10 0 GEAERN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCCn3nc(C)nc32)c1 ZINC000177725050 532180401 /nfs/dbraw/zinc/18/04/01/532180401.db2.gz FRRROBCPFYNKIX-AWEZNQCLSA-N 0 0 382.873 2.298 10 0 GEAERN C[C@@H](NC(=O)Nc1ncn(CC(=O)N(C)C)n1)c1cccc(Br)c1 ZINC000177468906 532172429 /nfs/dbraw/zinc/17/24/29/532172429.db2.gz WINYWPCNBUAKII-SNVBAGLBSA-N 0 0 395.261 2.012 10 0 GEAERN CCc1nnc([C@H]2CN(Cc3cnc4ccc(Br)cn34)CCO2)[nH]1 ZINC000129183845 532174161 /nfs/dbraw/zinc/17/41/61/532174161.db2.gz KYRSJNLNRYMRAO-CYBMUJFWSA-N 0 0 391.273 2.351 10 0 GEAERN O=C(Nc1cccc(Br)c1)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000177523054 532174851 /nfs/dbraw/zinc/17/48/51/532174851.db2.gz OTUTTXWHEADFGZ-LBPRGKRZSA-N 0 0 396.266 2.444 10 0 GEAERN COc1ccsc1S(=O)(=O)N1CCN(c2nc3ccccc3o2)CC1 ZINC000177629051 532177207 /nfs/dbraw/zinc/17/72/07/532177207.db2.gz MJPVTOMUUSZCHM-UHFFFAOYSA-N 0 0 379.463 2.409 10 0 GEAERN CC(C)n1nnnc1C[S@](=O)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000131372578 532196428 /nfs/dbraw/zinc/19/64/28/532196428.db2.gz NBSVYYOFGYSVTJ-UOXLDJKESA-N 0 0 383.905 2.376 10 0 GEAERN CC(C)n1nnnc1C[S@@](=O)CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000131369869 532197049 /nfs/dbraw/zinc/19/70/49/532197049.db2.gz WZJNEBBPCNXHPL-BZQUYTCOSA-N 0 0 383.543 2.468 10 0 GEAERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000178961508 532218934 /nfs/dbraw/zinc/21/89/34/532218934.db2.gz VEQKGOFXVOVUBW-CYBMUJFWSA-N 0 0 399.289 2.013 10 0 GEAERN CNC(=O)[C@H](NC(=O)c1cnn(-c2ccc(Br)cc2)c1C)C(C)C ZINC000178693364 532210139 /nfs/dbraw/zinc/21/01/39/532210139.db2.gz HWQAGHHOWKYKFC-OAHLLOKOSA-N 0 0 393.285 2.444 10 0 GEAERN CNC(=O)[C@H](NC(=O)c1ccc(Cl)c(I)c1)C(C)C ZINC000178713538 532210923 /nfs/dbraw/zinc/21/09/23/532210923.db2.gz OAAQHFMILWDWAO-LLVKDONJSA-N 0 0 394.640 2.445 10 0 GEAERN CNC(=O)[C@H](NC(=O)c1cc(F)c(F)cc1I)C(C)C ZINC000178724692 532211041 /nfs/dbraw/zinc/21/10/41/532211041.db2.gz ASGKSVQJRWNOSC-LLVKDONJSA-N 0 0 396.175 2.070 10 0 GEAERN Cc1noc([C@H](C)N2CCN(S(=O)(=O)c3c(F)cccc3Cl)CC2)n1 ZINC000131801197 532203959 /nfs/dbraw/zinc/20/39/59/532203959.db2.gz SZKXKRSHNNTHSL-JTQLQIEISA-N 0 0 388.852 2.238 10 0 GEAERN O=C(NCCNS(=O)(=O)c1cccs1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000133170476 532228315 /nfs/dbraw/zinc/22/83/15/532228315.db2.gz PWAKNZVDKOINAH-VXGBXAGGSA-N 0 0 386.445 2.225 10 0 GEAERN O=C(c1cncc(I)c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000133381918 532233458 /nfs/dbraw/zinc/23/34/58/532233458.db2.gz RAMLKXMHJVAHDO-DOMZBBRYSA-N 0 0 386.233 2.453 10 0 GEAERN Cn1cnnc1[C@H]1CCCN1C[C@H](O)COc1cccc(Br)c1 ZINC000179661816 532240219 /nfs/dbraw/zinc/24/02/19/532240219.db2.gz ZEWHTKFXIMZHPH-DZGCQCFKSA-N 0 0 381.274 2.154 10 0 GEAERN Cc1cc(S(C)(=O)=O)cc(C(=O)N2CCO[C@@H](c3nccs3)C2)c1C ZINC000133514877 532236601 /nfs/dbraw/zinc/23/66/01/532236601.db2.gz SSMBDTODCGTUFZ-OAHLLOKOSA-N 0 0 380.491 2.377 10 0 GEAERN O=C(c1c[nH]c(=O)c(Br)c1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000180073913 532255885 /nfs/dbraw/zinc/25/58/85/532255885.db2.gz SWXMQCUSRLCGDS-QMTHXVAHSA-N 0 0 399.191 2.364 10 0 GEAERN NC(=O)[C@@H]1COCCN1C(=O)CCCSc1ccc(Br)cc1 ZINC000180201553 532260445 /nfs/dbraw/zinc/26/04/45/532260445.db2.gz IGFCPRCEVPFZEN-ZDUSSCGKSA-N 0 0 387.299 2.034 10 0 GEAERN COCCN1CCN(C(=O)c2cc(OC)c(Br)s2)C[C@H]1C ZINC000135097629 532266584 /nfs/dbraw/zinc/26/65/84/532266584.db2.gz JHLKYDHXUOVSJN-SNVBAGLBSA-N 0 0 377.304 2.312 10 0 GEAERN COCCN1CCN(C(=O)c2cc(OC)c(Br)s2)C[C@@H]1C ZINC000135097646 532267157 /nfs/dbraw/zinc/26/71/57/532267157.db2.gz JHLKYDHXUOVSJN-JTQLQIEISA-N 0 0 377.304 2.312 10 0 GEAERN O=C(NC[C@@H]1CCCC[C@@H]1O)c1ccc(Br)cc1-n1cncn1 ZINC000135577521 532277061 /nfs/dbraw/zinc/27/70/61/532277061.db2.gz BQHKQYLHZJRAEL-NHYWBVRUSA-N 0 0 379.258 2.311 10 0 GEAERN COc1cc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)sc1Br ZINC000136546691 532285686 /nfs/dbraw/zinc/28/56/86/532285686.db2.gz BADLXMMGOTVSQY-MNOVXSKESA-N 0 0 389.315 2.312 10 0 GEAERN COc1ccc(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)nc1Br ZINC000180980963 532287621 /nfs/dbraw/zinc/28/76/21/532287621.db2.gz SSZPQIVPYHYMTC-JTQLQIEISA-N 0 0 394.273 2.312 10 0 GEAERN Cc1nc(Br)ccc1NC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000181322258 532295650 /nfs/dbraw/zinc/29/56/50/532295650.db2.gz GZGPQQALKRGJNH-BXUZGUMPSA-N 0 0 383.290 2.337 10 0 GEAERN CCc1nnc([C@@H]2CN(C(=O)Nc3ccc(Br)nc3C)CCO2)[nH]1 ZINC000181329089 532295831 /nfs/dbraw/zinc/29/58/31/532295831.db2.gz QSSFICANIMGJMJ-NSHDSACASA-N 0 0 395.261 2.438 10 0 GEAERN O=C(NCCOc1ncc(Cl)cc1Cl)N1CCC[C@@H](n2cncn2)C1 ZINC000150898774 532303603 /nfs/dbraw/zinc/30/36/03/532303603.db2.gz SAIRCLQZEBMNLF-GFCCVEGCSA-N 0 0 385.255 2.405 10 0 GEAERN C[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C[C@@H]1N1CCOCC1 ZINC000181704045 532305021 /nfs/dbraw/zinc/30/50/21/532305021.db2.gz QVSFAUAKXAIZCG-WBMJQRKESA-N 0 0 393.336 2.476 10 0 GEAERN C[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C[C@@H]1N1CCOCC1 ZINC000181704067 532305077 /nfs/dbraw/zinc/30/50/77/532305077.db2.gz QVSFAUAKXAIZCG-LRDDRELGSA-N 0 0 393.336 2.476 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)Cc3ccc(Br)cc3C)CCO2)[nH]1 ZINC000182219584 532310724 /nfs/dbraw/zinc/31/07/24/532310724.db2.gz WBJSTSAXIVUEIX-CQSZACIVSA-N 0 0 379.258 2.327 10 0 GEAERN CN(Cc1ncc(Cl)n1C)C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000182261410 532310988 /nfs/dbraw/zinc/31/09/88/532310988.db2.gz YIPLYEPMYAXOPH-GFCCVEGCSA-N 0 0 382.873 2.134 10 0 GEAERN Cc1cnc([C@H](C)CNC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)s1 ZINC000182802446 532317949 /nfs/dbraw/zinc/31/79/49/532317949.db2.gz KJMKLHLCYVMIOI-PWSUYJOCSA-N 0 0 382.511 2.263 10 0 GEAERN CS(=O)(=O)NCCNC(=O)[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000183031530 532321161 /nfs/dbraw/zinc/32/11/61/532321161.db2.gz JBIYQNYMNYYPHN-TZMCWYRMSA-N 0 0 395.308 2.127 10 0 GEAERN Cc1noc([C@H]2COCCN2Cc2nnc(-c3ccc(Br)o3)o2)n1 ZINC000185067678 532336712 /nfs/dbraw/zinc/33/67/12/532336712.db2.gz ZSZWQQLASPYAJB-SECBINFHSA-N 0 0 396.201 2.357 10 0 GEAERN CSc1ccccc1S(=O)(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000187249418 532343718 /nfs/dbraw/zinc/34/37/18/532343718.db2.gz LXUGERUBXDZIAW-AWEZNQCLSA-N 0 0 378.523 2.488 10 0 GEAERN CCS(=O)(=O)CCN[C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186167618 532339965 /nfs/dbraw/zinc/33/99/65/532339965.db2.gz FCHBQTBMWIGASK-OAHLLOKOSA-N 0 0 384.299 2.353 10 0 GEAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2cccc(Cl)c2Cl)n1 ZINC000186348003 532340595 /nfs/dbraw/zinc/34/05/95/532340595.db2.gz ZRLHNLQGLODVJR-SNVBAGLBSA-N 0 0 378.237 2.447 10 0 GEAERN Cc1noc([C@H]2COCCN2C(=O)c2cc3sc(N(C)C)nc3s2)n1 ZINC000186617278 532341506 /nfs/dbraw/zinc/34/15/06/532341506.db2.gz HFVARSKKEATCKT-SECBINFHSA-N 0 0 379.467 2.329 10 0 GEAERN Cc1noc([C@H]2COCCN2C(=O)c2n[nH]c3ccc(Br)cc32)n1 ZINC000186612789 532341508 /nfs/dbraw/zinc/34/15/08/532341508.db2.gz JNVQHQSBWYVPCO-GFCCVEGCSA-N 0 0 392.213 2.231 10 0 GEAERN Cc1noc([C@H]2COCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000183747782 532328825 /nfs/dbraw/zinc/32/88/25/532328825.db2.gz LMLUSMLJVCRRLE-GFCCVEGCSA-N 0 0 378.237 2.447 10 0 GEAERN CCCCN1CCOC[C@H]1C(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000184286247 532331646 /nfs/dbraw/zinc/33/16/46/532331646.db2.gz UXFOJFFAJHAIQB-HNNXBMFYSA-N 0 0 398.301 2.005 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nc2c(cccc2Cl)n1C ZINC000184415090 532332532 /nfs/dbraw/zinc/33/25/32/532332532.db2.gz UDWQYPQYDQZFAL-CYBMUJFWSA-N 0 0 384.889 2.369 10 0 GEAERN COc1cc(C)c(Br)cc1NC(=O)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000184670175 532334313 /nfs/dbraw/zinc/33/43/13/532334313.db2.gz JYIVDYWEQGVIOG-BXUZGUMPSA-N 0 0 399.285 2.372 10 0 GEAERN O=C(NCc1cc2cc(Br)ccc2[nH]1)N[C@@H]1CCc2ncnn2C1 ZINC000184960864 532336240 /nfs/dbraw/zinc/33/62/40/532336240.db2.gz QKTLDPQRCWXCTG-GFCCVEGCSA-N 0 0 389.257 2.336 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)Cc3ccc(F)cc3Br)CCO2)[nH]1 ZINC000188178393 532347208 /nfs/dbraw/zinc/34/72/08/532347208.db2.gz GWKDVLUFMNCUDC-CYBMUJFWSA-N 0 0 383.221 2.157 10 0 GEAERN COc1ccc(Br)cc1CNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000188832018 532349750 /nfs/dbraw/zinc/34/97/50/532349750.db2.gz LIHNGVHYLJHONL-UHFFFAOYSA-N 0 0 396.285 2.268 10 0 GEAERN CN(C(=O)c1nc(Br)cs1)[C@H]1CCCN(c2cccnn2)C1 ZINC000188876977 532349959 /nfs/dbraw/zinc/34/99/59/532349959.db2.gz CJSKDEFKADUEFM-JTQLQIEISA-N 0 0 382.287 2.437 10 0 GEAERN COCCN1CCN(C(=O)c2cc(Br)ncc2Cl)C[C@@H]1C ZINC000188875928 532350023 /nfs/dbraw/zinc/35/00/23/532350023.db2.gz PIQVKDOEJDFUPK-JTQLQIEISA-N 0 0 376.682 2.290 10 0 GEAERN C[C@@H]1C(=O)NCCCN1C(=O)c1ccc(Cl)c(I)c1 ZINC000188956632 532350399 /nfs/dbraw/zinc/35/03/99/532350399.db2.gz AISBIDXYDLZJKC-MRVPVSSYSA-N 0 0 392.624 2.295 10 0 GEAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000189013329 532350466 /nfs/dbraw/zinc/35/04/66/532350466.db2.gz QEOZUMFWYOVDBR-ZYHUDNBSSA-N 0 0 380.750 2.201 10 0 GEAERN Cc1nnc([C@@H]2CN(CCOc3cc(F)cc(Br)c3)CCO2)[nH]1 ZINC000189043603 532350662 /nfs/dbraw/zinc/35/06/62/532350662.db2.gz ICOFCXPZMOGNKF-AWEZNQCLSA-N 0 0 385.237 2.467 10 0 GEAERN Cc1ccc(S(=O)(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)c(Cl)n1 ZINC000189634478 532353082 /nfs/dbraw/zinc/35/30/82/532353082.db2.gz QGSGOFGNYCFPQK-ZDUSSCGKSA-N 0 0 381.889 2.123 10 0 GEAERN COC(=O)c1scc(C)c1S(=O)(=O)N1CCC(Cn2cccn2)CC1 ZINC000190106490 532354944 /nfs/dbraw/zinc/35/49/44/532354944.db2.gz RAEDRZUCNOQKQZ-UHFFFAOYSA-N 0 0 383.495 2.141 10 0 GEAERN O=C(Nc1cc(Br)c(F)cc1F)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000190872814 532358433 /nfs/dbraw/zinc/35/84/33/532358433.db2.gz COSUUICGOBEZCV-PELKAZGASA-N 0 0 391.212 2.333 10 0 GEAERN O=C(Nc1cc(Br)c(F)cc1F)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000190872845 532358472 /nfs/dbraw/zinc/35/84/72/532358472.db2.gz COSUUICGOBEZCV-UFBFGSQYSA-N 0 0 391.212 2.333 10 0 GEAERN COC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(I)cc2)C1 ZINC000190918347 532358660 /nfs/dbraw/zinc/35/86/60/532358660.db2.gz AWIBIUANDUJANS-GFCCVEGCSA-N 0 0 387.217 2.245 10 0 GEAERN Cc1ccc(Br)nc1C(=O)N1CCCN(c2cccnn2)CC1 ZINC000191239686 532360138 /nfs/dbraw/zinc/36/01/38/532360138.db2.gz WVWSQPWGHJZGIM-UHFFFAOYSA-N 0 0 376.258 2.295 10 0 GEAERN CC(C)(C)OC[C@H](O)C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191301507 532360417 /nfs/dbraw/zinc/36/04/17/532360417.db2.gz FFDFBGHAAXBPJC-LLVKDONJSA-N 0 0 382.452 2.245 10 0 GEAERN Cc1noc([C@@H](C)N2CCN(C(=O)c3nc(Br)ccc3C)CC2)n1 ZINC000191517847 532361318 /nfs/dbraw/zinc/36/13/18/532361318.db2.gz LEFBIVKTEDICDJ-LLVKDONJSA-N 0 0 394.273 2.363 10 0 GEAERN CCC[C@@H](C)CS(=O)(=O)N1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000192149852 532388969 /nfs/dbraw/zinc/38/89/69/532388969.db2.gz FPPFQNMPWCMFKJ-OAHLLOKOSA-N 0 0 376.563 2.490 10 0 GEAERN COc1cc(Br)ccc1C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000192144799 532389388 /nfs/dbraw/zinc/38/93/88/532389388.db2.gz VWSGWKGYEAXQKR-CYBMUJFWSA-N 0 0 399.285 2.469 10 0 GEAERN CC[S@](=O)c1ccccc1C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000192980224 532415783 /nfs/dbraw/zinc/41/57/83/532415783.db2.gz LQIRWKOAPQHZOD-MYYSRTQBSA-N 0 0 377.487 2.463 10 0 GEAERN Cc1c(C(=O)Nc2ccccc2)sc2[nH]c(CS(C)(=O)=O)nc(=O)c12 ZINC000193903757 532436270 /nfs/dbraw/zinc/43/62/70/532436270.db2.gz OZASPVWXGZITLH-UHFFFAOYSA-N 0 0 377.447 2.090 10 0 GEAERN Cn1c(C[S@@](=O)Cc2cn(-c3ccc(Cl)cc3)nn2)nnc1C1CC1 ZINC000194288322 532445994 /nfs/dbraw/zinc/44/59/94/532445994.db2.gz BHRAFYDIJVPJOM-VWLOTQADSA-N 0 0 376.873 2.376 10 0 GEAERN CN1CCO[C@@H](CNC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)C1 ZINC000194476840 532451330 /nfs/dbraw/zinc/45/13/30/532451330.db2.gz UNACRPMWXOWESR-INIZCTEOSA-N 0 0 379.913 2.377 10 0 GEAERN CN1CCO[C@H](CNC(=O)c2cc(Cl)ccc2I)C1 ZINC000194610115 532454388 /nfs/dbraw/zinc/45/43/88/532454388.db2.gz DKGWAFPORQPWGZ-SNVBAGLBSA-N 0 0 394.640 2.005 10 0 GEAERN CCc1nc(C2(NS(=O)(=O)c3cccc4nsnc43)CCCC2)no1 ZINC000194791368 532457914 /nfs/dbraw/zinc/45/79/14/532457914.db2.gz OEMWYAZLHZZXKN-UHFFFAOYSA-N 0 0 379.467 2.385 10 0 GEAERN CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2cc(F)ccc2Br)C1 ZINC000246626606 532541995 /nfs/dbraw/zinc/54/19/95/532541995.db2.gz SMANHJHJIGTGQL-QMTHXVAHSA-N 0 0 386.265 2.372 10 0 GEAERN O=C([C@@H]1CCc2n[nH]nc2C1)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000375085716 532532513 /nfs/dbraw/zinc/53/25/13/532532513.db2.gz UMMXKSVJTUHCTR-WBMJQRKESA-N 0 0 391.269 2.272 10 0 GEAERN C[C@@H]1CCCN(S(=O)(=O)N(C)C[C@H](c2cccs2)N2CCOCC2)C1 ZINC000248358880 532552115 /nfs/dbraw/zinc/55/21/15/532552115.db2.gz RHPFEJGYMYJWOK-HZPDHXFCSA-N 0 0 387.571 2.030 10 0 GEAERN C[C@H](NC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O)[C@H]1CCCO1 ZINC000249064511 532559057 /nfs/dbraw/zinc/55/90/57/532559057.db2.gz SWWIHAYNRVIDMO-PKFCDNJMSA-N 0 0 395.253 2.117 10 0 GEAERN CN1CCO[C@H](CNC(=O)c2scc(Br)c2Br)C1 ZINC000528317779 532562218 /nfs/dbraw/zinc/56/22/18/532562218.db2.gz VCZLNUMOLHBXHP-SSDOTTSWSA-N 0 0 398.120 2.334 10 0 GEAERN CO[C@@H]1C[C@@H](CO)N(C(=O)c2cc(Br)sc2Br)C1 ZINC000375508343 532562511 /nfs/dbraw/zinc/56/25/11/532562511.db2.gz MJBVSZMPQIRJSI-NKWVEPMBSA-N 0 0 399.104 2.495 10 0 GEAERN Cc1noc([C@@H]2COCCN2C[C@@H](O)COc2c(Cl)cccc2Cl)n1 ZINC000249291281 532562999 /nfs/dbraw/zinc/56/29/99/532562999.db2.gz KUSVSCQMPHAAHG-RISCZKNCSA-N 0 0 388.251 2.498 10 0 GEAERN CCn1cc(Br)cc1C(=O)N1CCC[C@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000262926385 532607718 /nfs/dbraw/zinc/60/77/18/532607718.db2.gz LOUDAEZPNFJJRI-ZDUSSCGKSA-N 0 0 386.290 2.282 10 0 GEAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(c2nccc3cc(Br)ccc32)CCO1 ZINC000263432466 532625512 /nfs/dbraw/zinc/62/55/12/532625512.db2.gz UBLPNQAVIRZBBJ-AWEZNQCLSA-N 0 0 394.269 2.219 10 0 GEAERN Cc1cc(I)ccc1NC(=O)CN1CCC[C@H](O)[C@@H]1C ZINC000384776527 532703147 /nfs/dbraw/zinc/70/31/47/532703147.db2.gz SSAHLDWOLNZFJL-FZMZJTMJSA-N 0 0 388.249 2.383 10 0 GEAERN CN(C)[C@H](CNc1ccccc1S(=O)(=O)C(F)(F)F)c1cnn(C)c1 ZINC000301263636 532747603 /nfs/dbraw/zinc/74/76/03/532747603.db2.gz DQKQOLPPCWBKRQ-CYBMUJFWSA-N 0 0 376.404 2.428 10 0 GEAERN COCc1cc(NCc2cn3cc(Br)ccc3n2)n2ncnc2n1 ZINC000301086843 532740161 /nfs/dbraw/zinc/74/01/61/532740161.db2.gz MGIGXDMNAPNZCJ-UHFFFAOYSA-N 0 0 388.229 2.293 10 0 GEAERN CO[C@H]1C[C@@H](CO)N(C(=O)c2ccc(I)c(Cl)c2)C1 ZINC000311561586 532777645 /nfs/dbraw/zinc/77/76/45/532777645.db2.gz SDHGUDYDNVMUDN-UWVGGRQHSA-N 0 0 395.624 2.166 10 0 GEAERN CO[C@H]1C[C@@H](CO)N(C(=O)c2ccc(Br)cc2Br)C1 ZINC000312017822 532778735 /nfs/dbraw/zinc/77/87/35/532778735.db2.gz XZCNICFLYIYKQW-UWVGGRQHSA-N 0 0 393.075 2.433 10 0 GEAERN CCc1cc(=O)n2nc(NCC3CCN(CC(F)(F)F)CC3)sc2n1 ZINC000302538283 532771711 /nfs/dbraw/zinc/77/17/11/532771711.db2.gz NCZZOIKZKZXMSB-UHFFFAOYSA-N 0 0 375.420 2.400 10 0 GEAERN CCn1c2nc(/C=C/c3cccc(OC)c3OC)n(C)c2c(=O)n(CC)c1=O ZINC000033984725 212159829 /nfs/dbraw/zinc/15/98/29/212159829.db2.gz HMFNHSWZSIBCBY-VAWYXSNFSA-N 0 0 384.436 2.124 10 0 GEAERN COC(=O)Nc1nc2cc(NC(=O)N3CCN(c4ccccn4)CC3)ccc2[nH]1 ZINC000005115555 212146921 /nfs/dbraw/zinc/14/69/21/212146921.db2.gz JEGRFXZWEUCCHQ-UHFFFAOYSA-N 0 0 395.423 2.490 10 0 GEAERN CCOC(=O)CN1c2cscc2S(=O)(=O)N(Cc2ccccc2)C1=O ZINC000006385651 212147966 /nfs/dbraw/zinc/14/79/66/212147966.db2.gz KGYHIYUDRCLOFZ-UHFFFAOYSA-N 0 0 380.447 2.442 10 0 GEAERN COc1ccc(Cl)cc1CN1C(=O)N[C@@H](Cc2cn(C(C)C)nn2)C1=O ZINC000328614421 212085720 /nfs/dbraw/zinc/08/57/20/212085720.db2.gz WAPKESJKIUUJMJ-AWEZNQCLSA-N 0 0 377.832 2.389 10 0 GEAERN C[C@]1(c2ccccc2)CC(=O)N(c2ccc(S(N)(=O)=O)c(Cl)c2)C1=O ZINC000003627318 220661596 /nfs/dbraw/zinc/66/15/96/220661596.db2.gz AVGKMNFNZFKPAO-QGZVFWFLSA-N 0 0 378.837 2.209 10 0 GEAERN CNC(=O)CSc1nnc2n1c1ccccc1c(=O)n2Cc1ccc(C)cc1 ZINC000006831019 220968835 /nfs/dbraw/zinc/96/88/35/220968835.db2.gz DLELKFAUSHOMRB-UHFFFAOYSA-N 0 0 393.472 2.239 10 0 GEAERN CCOC(=O)[C@@H]1[C@H](c2ccccc2)N(C)C(=S)N(C)[C@]1(O)C(F)(F)F ZINC000009114642 221070612 /nfs/dbraw/zinc/07/06/12/221070612.db2.gz UNXHPVKAEYFOQT-SLEUVZQESA-N 0 0 376.400 2.320 10 0 GEAERN O=C(NCc1ccccc1)C1CCN(c2nnc(N3CCCC3=O)s2)CC1 ZINC000009287515 221076928 /nfs/dbraw/zinc/07/69/28/221076928.db2.gz GRSVKTKDPQYVDC-UHFFFAOYSA-N 0 0 385.493 2.198 10 0 GEAERN Cc1c(CC(=O)N2CCc3n[nH]cc3C2)c2c(n1C[C@H]1CCCO1)CCCC2=O ZINC000011819941 221129192 /nfs/dbraw/zinc/12/91/92/221129192.db2.gz SIVOSWVDMJJSRB-MRXNPFEDSA-N 0 0 396.491 2.345 10 0 GEAERN O=C(CCN1CCCC1=O)N1CCC[C@](CO)(Cc2ccc(F)cc2F)C1 ZINC000011874429 221134405 /nfs/dbraw/zinc/13/44/05/221134405.db2.gz JICNAOGNUOROOJ-FQEVSTJZSA-N 0 0 380.435 2.121 10 0 GEAERN COc1ccc(C(=O)NC[C@H]2Cc3cc(-c4cnccn4)ccc3O2)c(OC)n1 ZINC000011970695 221140560 /nfs/dbraw/zinc/14/05/60/221140560.db2.gz YMVIWCPLQLTAAS-OAHLLOKOSA-N 0 0 392.415 2.289 10 0 GEAERN CC1(C)CS(=O)(=O)N(c2ccc(C(=O)NCc3cccs3)cc2)C1=O ZINC000012023066 221143296 /nfs/dbraw/zinc/14/32/96/221143296.db2.gz KYVSJZOHQZKUJW-UHFFFAOYSA-N 0 0 378.475 2.381 10 0 GEAERN Cc1cc(NC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2Cl)no1 ZINC000012025550 221144047 /nfs/dbraw/zinc/14/40/47/221144047.db2.gz GMIZGFMXOVASSR-MRVPVSSYSA-N 0 0 383.813 2.201 10 0 GEAERN CC(=O)c1ccc(NC(=O)c2cccc(N3C(=O)[C@@H](C)CS3(=O)=O)c2)cc1 ZINC000012205796 221167593 /nfs/dbraw/zinc/16/75/93/221167593.db2.gz IGTPCVUEOLSSNC-LBPRGKRZSA-N 0 0 386.429 2.454 10 0 GEAERN Cc1cc(NC(=O)c2ccc(Cl)c(N3C(=O)CCS3(=O)=O)c2)ccn1 ZINC000012206267 221168088 /nfs/dbraw/zinc/16/80/88/221168088.db2.gz CZXDUEPBSWVWAF-UHFFFAOYSA-N 0 0 379.825 2.362 10 0 GEAERN COc1ccc(N2C(=O)CCCC2=O)cc1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000012203444 221168308 /nfs/dbraw/zinc/16/83/08/221168308.db2.gz YRUWXRWGJUPJDC-CYBMUJFWSA-N 0 0 380.466 2.159 10 0 GEAERN CC(C)Cn1nc(C(=O)NC2CCCC2)c2c1CCN(C(=O)c1ccnn1C)C2 ZINC000014747319 221315580 /nfs/dbraw/zinc/31/55/80/221315580.db2.gz XTXYOIIQRPGEKG-UHFFFAOYSA-N 0 0 398.511 2.144 10 0 GEAERN CC(=O)N1CCN(C(=O)Cc2csc(NC(=O)Nc3ccccc3)n2)CC1 ZINC000015880603 221350785 /nfs/dbraw/zinc/35/07/85/221350785.db2.gz HTLLUEIGUWDILR-UHFFFAOYSA-N 0 0 387.465 2.020 10 0 GEAERN COC(=O)C1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@]12c1ccccc1NC2=O ZINC000016754127 221371335 /nfs/dbraw/zinc/37/13/35/221371335.db2.gz ZVWZYFQKCDGXSW-NRFANRHFSA-N 0 0 388.383 2.051 10 0 GEAERN CCc1nnc(N2CCN(C(=O)Cc3cccc(OC)c3)CC2)c2cccn21 ZINC000040455294 132405152 /nfs/dbraw/zinc/40/51/52/132405152.db2.gz NMZFSBVDAGJNLO-UHFFFAOYSA-N 0 0 379.464 2.192 10 0 GEAERN Cc1noc2nc(CCC(=O)Nc3ccc(F)cc3)nc(N3CCOCC3)c12 ZINC000065056461 136159001 /nfs/dbraw/zinc/15/90/01/136159001.db2.gz QVLGSQYVONYHIK-UHFFFAOYSA-N 0 0 385.399 2.473 10 0 GEAERN CCOC(=O)C1(NC(=O)OC(C)(C)C)CCN(c2ncnc3[nH]ccc32)CC1 ZINC000089223209 136175506 /nfs/dbraw/zinc/17/55/06/136175506.db2.gz ASNQOMMMFRYVAA-UHFFFAOYSA-N 0 0 389.456 2.385 10 0 GEAERN O=C(NCc1ccc(F)cc1F)[C@@H]1CCc2nc(N3CCOCC3)ncc2C1 ZINC000096310432 136186336 /nfs/dbraw/zinc/18/63/36/136186336.db2.gz OXSQTDLKLIOERL-CYBMUJFWSA-N 0 0 388.418 2.013 10 0 GEAERN Cc1sc(-c2ccno2)cc1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000096323616 136186592 /nfs/dbraw/zinc/18/65/92/136186592.db2.gz ODRVVOHICUEAOM-UHFFFAOYSA-N 0 0 391.478 2.012 10 0 GEAERN CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1nccc(N2CCOCC2)n1 ZINC000224170360 136206452 /nfs/dbraw/zinc/20/64/52/136206452.db2.gz MQJGORFQNWFBND-UHFFFAOYSA-N 0 0 390.871 2.440 10 0 GEAERN CCn1nc(C)c2c1nc(C)cc2C(=O)NCCn1cc(Br)cn1 ZINC000028243926 221671685 /nfs/dbraw/zinc/67/16/85/221671685.db2.gz PEVNGMJMXVEPCO-UHFFFAOYSA-N 0 0 391.273 2.457 10 0 GEAERN Cn1c(SCc2ccc(F)cc2)nnc(Nc2ccc(C(N)=O)cc2)c1=O ZINC000028538405 221680324 /nfs/dbraw/zinc/68/03/24/221680324.db2.gz WCSFOQLFEYQRPK-UHFFFAOYSA-N 0 0 385.424 2.449 10 0 GEAERN C[C@@H](NC(=O)c1nn(C)c2c1CS(=O)(=O)CC2)c1ccc(-n2cccc2)cc1 ZINC000041070432 221936944 /nfs/dbraw/zinc/93/69/44/221936944.db2.gz GPRXUEUBJIPPEZ-CQSZACIVSA-N 0 0 398.488 2.173 10 0 GEAERN COC(=O)[C@@H]1C[C@H](C(=O)NCCc2ccccn2)[C@H](c2ccccc2F)N1C ZINC000055575757 222022645 /nfs/dbraw/zinc/02/26/45/222022645.db2.gz MRPAPWHVMVWHBZ-WDSOQIARSA-N 0 0 385.439 2.114 10 0 GEAERN CC[C@H](C)NC(=O)CCC(=O)N1CCCN(c2nc3cccnc3s2)CC1 ZINC000065030700 222096150 /nfs/dbraw/zinc/09/61/50/222096150.db2.gz SHZQGKVGLBKLAQ-AWEZNQCLSA-N 0 0 389.525 2.425 10 0 GEAERN CC[C@@H](C)NC(=O)CCC(=O)N1CCCN(c2nc3cccnc3s2)CC1 ZINC000065030699 222096707 /nfs/dbraw/zinc/09/67/07/222096707.db2.gz SHZQGKVGLBKLAQ-CQSZACIVSA-N 0 0 389.525 2.425 10 0 GEAERN CCN1CCN(Cc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)C(=O)C1=O ZINC000065130437 222102633 /nfs/dbraw/zinc/10/26/33/222102633.db2.gz QKTXGMSABKMQGX-INIZCTEOSA-N 0 0 379.460 2.368 10 0 GEAERN CC(C)N1CCN(Cc2ccc(C(=O)NCc3ccccc3F)cc2)C(=O)C1=O ZINC000065129842 222102659 /nfs/dbraw/zinc/10/26/59/222102659.db2.gz XGBKTRKELOCHIH-UHFFFAOYSA-N 0 0 397.450 2.335 10 0 GEAERN CCn1nccc1C(=O)N1CCN(c2nc(CN3CCCCC3)cs2)CC1 ZINC000065200497 222110186 /nfs/dbraw/zinc/11/01/86/222110186.db2.gz YKMCQJSWVWGHHV-UHFFFAOYSA-N 0 0 388.541 2.308 10 0 GEAERN CC(=O)N1CCN(Cc2nc(-c3ccc(N4CCCCCC4)nc3)no2)CC1 ZINC000065216241 222111880 /nfs/dbraw/zinc/11/18/80/222111880.db2.gz CGCKWPOHGKFTCB-UHFFFAOYSA-N 0 0 384.484 2.176 10 0 GEAERN CC(C)CCn1c2nn(C)c(=O)n2c2cc(C(=O)NC3CCCC3)ccc2c1=O ZINC000064587939 222074839 /nfs/dbraw/zinc/07/48/39/222074839.db2.gz OSJCCXNKRQLWDH-UHFFFAOYSA-N 0 0 397.479 2.066 10 0 GEAERN CN1CCN(C(=O)CCNc2c(-c3ccc(F)cc3)nc3cnccn32)CC1 ZINC000064758648 222081129 /nfs/dbraw/zinc/08/11/29/222081129.db2.gz KRBMISGLFJABLR-UHFFFAOYSA-N 0 0 382.443 2.111 10 0 GEAERN O=C(CN1CCN(Cc2ccc(F)cc2)C(=O)C1=O)Nc1cccc(Cl)c1 ZINC000064888510 222086964 /nfs/dbraw/zinc/08/69/64/222086964.db2.gz LBZNYVITDYGGRQ-UHFFFAOYSA-N 0 0 389.814 2.289 10 0 GEAERN CC[C@H](C(=O)NCCCOC)n1nc(C)c2nn(-c3ccccc3)c(C)c2c1=O ZINC000064970986 222090217 /nfs/dbraw/zinc/09/02/17/222090217.db2.gz SEGYONGWZKIQDF-QGZVFWFLSA-N 0 0 397.479 2.303 10 0 GEAERN O=C(NCc1cccnc1)[C@H]1CN(S(=O)(=O)C2CC2)CC12CCCCC2 ZINC000065259619 222117669 /nfs/dbraw/zinc/11/76/69/222117669.db2.gz IZLIBNAGGLUELQ-QGZVFWFLSA-N 0 0 377.510 2.072 10 0 GEAERN Cc1oc(C(C)C)cc1C(=O)N1CCn2nc(C(=O)N3CCOCC3)cc2C1 ZINC000065497495 222131735 /nfs/dbraw/zinc/13/17/35/222131735.db2.gz KVMZSTKSGHJEPA-UHFFFAOYSA-N 0 0 386.452 2.036 10 0 GEAERN COc1ccc(CS(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cc1 ZINC000095076390 222328438 /nfs/dbraw/zinc/32/84/38/222328438.db2.gz XWBRRTSYUPRUOI-CQSZACIVSA-N 0 0 384.498 2.466 10 0 GEAERN CC(C)c1noc(C2CCN(C(=O)Cn3c(=O)cnc4ccccc43)CC2)n1 ZINC000095498568 222332903 /nfs/dbraw/zinc/33/29/03/222332903.db2.gz ACVGWRKSBPLSLS-UHFFFAOYSA-N 0 0 381.436 2.309 10 0 GEAERN c1ccc2c(c1)cccc2Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000073667388 222271515 /nfs/dbraw/zinc/27/15/15/222271515.db2.gz ZOKWBDKHKOXNIB-UHFFFAOYSA-N 0 0 392.463 2.442 10 0 GEAERN COc1ccc2c(c1)C[C@@H](C)N2NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000077300536 222277754 /nfs/dbraw/zinc/27/77/54/222277754.db2.gz PHHIYQIOHDPMDF-SNVBAGLBSA-N 0 0 395.868 2.092 10 0 in-vitro GEAERN Cc1ccc(S(=O)(=O)N[C@H](C)CN(CCCO)C(=O)OC(C)(C)C)cc1 ZINC000080299595 222307190 /nfs/dbraw/zinc/30/71/90/222307190.db2.gz COKHOFQISYMIEJ-OAHLLOKOSA-N 0 0 386.514 2.281 10 0 GEAERN O=C(c1ccncc1)N1CCCN(c2nnc3ccc(C(F)(F)F)cn32)CC1 ZINC000096102211 222380638 /nfs/dbraw/zinc/38/06/38/222380638.db2.gz DHYOZFRJLKTKMG-UHFFFAOYSA-N 0 0 390.369 2.496 10 0 GEAERN O=C(COc1ccccc1)N1C[C@@H](C(=O)NC2CCCC2)C2(C1)CCOCC2 ZINC000096310227 222412219 /nfs/dbraw/zinc/41/22/19/222412219.db2.gz SEDUHSVCGLSCCW-IBGZPJMESA-N 0 0 386.492 2.379 10 0 GEAERN CC(=O)c1ccc(OCC(=O)N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000098096485 222454727 /nfs/dbraw/zinc/45/47/27/222454727.db2.gz IVCBEGUKHKRFIK-KRWDZBQOSA-N 0 0 392.452 2.020 10 0 GEAERN CC(C)n1c(=O)[nH]c2c(nsc2C(=O)N2CCN(c3ccccc3)CC2)c1=O ZINC000096396689 535045653 /nfs/dbraw/zinc/04/56/53/535045653.db2.gz QHITXFJKCCFAHY-UHFFFAOYSA-N 0 0 399.476 2.102 10 0 GEAERN CCCCOc1nc2c([nH]c(=O)n2Cc2cccc(CC(=O)OC)c2)c(N)n1 ZINC000049055739 570262421 /nfs/dbraw/zinc/26/24/21/570262421.db2.gz MXILFZWMVNDOIZ-UHFFFAOYSA-N 0 0 385.424 2.057 10 0 GEAERN COCCNC(=O)[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2OC)on1 ZINC000036001421 570507285 /nfs/dbraw/zinc/50/72/85/570507285.db2.gz HYWKQSGWSCIREL-MRXNPFEDSA-N 0 0 387.436 2.108 10 0 GEAERN Cc1noc(C)c1S(=O)(=O)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 ZINC000244652033 570694374 /nfs/dbraw/zinc/69/43/74/570694374.db2.gz GYOQXXIHUAVACS-UXLLHSPISA-N 0 0 378.450 2.017 10 0 GEAERN Cc1noc([C@@H]2CC[C@H](CN(Cc3ncoc3C(C)C)S(C)(=O)=O)O2)n1 ZINC000583623243 570801398 /nfs/dbraw/zinc/80/13/98/570801398.db2.gz ZRHWCVUEZOGWTK-OCCSQVGLSA-N 0 0 384.458 2.171 10 0 GEAERN CCc1ccc(-c2nc(C[S@](=O)CC(=O)N3CCOCC3)c(C)o2)cc1 ZINC000004668487 570813179 /nfs/dbraw/zinc/81/31/79/570813179.db2.gz MQGRGTCCFWNCSS-AREMUKBSSA-N 0 0 376.478 2.320 10 0 GEAERN O=C(CCn1c(=O)[nH]c2ccsc2c1=O)NCCc1ccccc1Cl ZINC000004790521 570992272 /nfs/dbraw/zinc/99/22/72/570992272.db2.gz HXUCMYYQZATGKS-UHFFFAOYSA-N 0 0 377.853 2.154 10 0 GEAERN CC(C)c1csc(NC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)n1 ZINC000010639739 642361894 /nfs/dbraw/zinc/36/18/94/642361894.db2.gz KCXQTXBOMFRYQL-JTQLQIEISA-N 0 0 378.479 2.332 10 0 GEAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(Cl)cc1 ZINC000017324210 642394046 /nfs/dbraw/zinc/39/40/46/642394046.db2.gz UKJDLVLLMBSTHV-NSHDSACASA-N 0 0 377.853 2.083 10 0 GEAERN CCN(Cc1cccs1)C(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 ZINC000025760026 642427087 /nfs/dbraw/zinc/42/70/87/642427087.db2.gz HLWLICHVVBWNPO-LBPRGKRZSA-N 0 0 377.491 2.224 10 0 GEAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)[C@@H](C)c1cccs1 ZINC000033235360 642503797 /nfs/dbraw/zinc/50/37/97/642503797.db2.gz WJZDOJAFDROWOR-RYUDHWBXSA-N 0 0 377.491 2.395 10 0 GEAERN Cc1ccc([C@@H](C)NC(=O)c2cc(S(N)(=O)=O)ccc2Br)o1 ZINC000042038633 642539925 /nfs/dbraw/zinc/53/99/25/642539925.db2.gz VYQPDNAWYOQASR-SECBINFHSA-N 0 0 387.255 2.489 10 0 GEAERN C[C@@H](NC(=O)c1ccco1)C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000049946003 642672888 /nfs/dbraw/zinc/67/28/88/642672888.db2.gz TZRZAGIACGHSCO-SECBINFHSA-N 0 0 384.219 2.460 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCSCc1ccccc1F ZINC000052610244 642723119 /nfs/dbraw/zinc/72/31/19/642723119.db2.gz QENUQNGROVOCDA-INIZCTEOSA-N 0 0 388.530 2.379 10 0 GEAERN O=C(NCCO)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1Cl ZINC000055667585 642779114 /nfs/dbraw/zinc/77/91/14/642779114.db2.gz PWWWHPUZKNJBGR-DHZHZOJOSA-N 0 0 380.853 2.475 10 0 GEAERN CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1csc(S(N)(=O)=O)c1 ZINC000066760203 642938474 /nfs/dbraw/zinc/93/84/74/642938474.db2.gz HCWVIQBOWWKBDK-CQSZACIVSA-N 0 0 380.491 2.388 10 0 GEAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000066918781 642950152 /nfs/dbraw/zinc/95/01/52/642950152.db2.gz LKQVIZWGQSWDCM-MRVPVSSYSA-N 0 0 397.678 2.071 10 0 GEAERN C[C@H](CNC(=O)N[C@H]1CCc2c1cccc2Br)N1CCOCC1 ZINC000069767830 643040246 /nfs/dbraw/zinc/04/02/46/643040246.db2.gz AQRVGNXJSNHZTB-WBMJQRKESA-N 0 0 382.302 2.456 10 0 GEAERN Cc1nn(-c2ccc(Br)cc2)c(C)c1[C@@H]1NC(=O)[C@H]2COCCN21 ZINC000093884282 643081510 /nfs/dbraw/zinc/08/15/10/643081510.db2.gz QTXHJEKMNMXCQC-GDBMZVCRSA-N 0 0 391.269 2.081 10 0 GEAERN C[C@@H](NC(=O)NCCCNC(=O)c1cccc(Br)c1)[C@@H]1CCCO1 ZINC000101606655 643112485 /nfs/dbraw/zinc/11/24/85/643112485.db2.gz BRYPLSUXPNAQSZ-DOMZBBRYSA-N 0 0 398.301 2.436 10 0 GEAERN COC(=O)[C@H](C)CN(C1CC1)S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000102660660 643132094 /nfs/dbraw/zinc/13/20/94/643132094.db2.gz SGRXEWWYCKWKFF-LLVKDONJSA-N 0 0 392.880 2.429 10 0 GEAERN CN1CCO[C@@H](CNC(=O)NCC(C)(C)c2ccc(Br)cc2)C1 ZINC000104783615 643194124 /nfs/dbraw/zinc/19/41/24/643194124.db2.gz FTBADXFGCRSOQX-HNNXBMFYSA-N 0 0 384.318 2.357 10 0 GEAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c(C)c2)C1 ZINC000106013094 643217530 /nfs/dbraw/zinc/21/75/30/643217530.db2.gz KUGKXLAWWGFUSQ-LLVKDONJSA-N 0 0 376.272 2.331 10 0 GEAERN O=C(CN1CCO[C@H](Cn2cccn2)C1)Nc1ccc(Br)cc1F ZINC000106193290 643225671 /nfs/dbraw/zinc/22/56/71/643225671.db2.gz FCJTYAPSMLUVDH-ZDUSSCGKSA-N 0 0 397.248 2.124 10 0 GEAERN CC[C@@H](O)CN1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1 ZINC000106398063 643230024 /nfs/dbraw/zinc/23/00/24/643230024.db2.gz GRCHPLHKEKPDKL-MRXNPFEDSA-N 0 0 381.314 2.396 10 0 GEAERN COC(=O)[C@@H]1CCCN(C(=O)c2csc(I)c2)C1 ZINC000107473282 643256699 /nfs/dbraw/zinc/25/66/99/643256699.db2.gz DOCVJEJGXNLHEU-MRVPVSSYSA-N 0 0 379.219 2.378 10 0 GEAERN CCOc1cc(C)nc(N2CCN(C(=O)c3cc(Br)c[nH]3)CC2)n1 ZINC000109654769 643299130 /nfs/dbraw/zinc/29/91/30/643299130.db2.gz NSSMIHIZIRYFFB-UHFFFAOYSA-N 0 0 394.273 2.237 10 0 GEAERN O=C(c1ccccc1I)N1CCO[C@H](Cn2cccn2)C1 ZINC000111082308 643326388 /nfs/dbraw/zinc/32/63/88/643326388.db2.gz SRHRKEWCWYOSDC-LBPRGKRZSA-N 0 0 397.216 2.029 10 0 GEAERN Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)c3ccc(Cl)s3)CCO2)n1 ZINC000111345388 643335386 /nfs/dbraw/zinc/33/53/86/643335386.db2.gz GYTBARVDIKGKQR-GFCCVEGCSA-N 0 0 375.903 2.305 10 0 GEAERN Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)c3ccc(Cl)s3)CCO2)n1 ZINC000111345386 643335460 /nfs/dbraw/zinc/33/54/60/643335460.db2.gz GYTBARVDIKGKQR-LBPRGKRZSA-N 0 0 375.903 2.305 10 0 GEAERN Cc1noc([C@@H](C)N2CCN(S(=O)(=O)c3cc(Cl)ccc3C)CC2)n1 ZINC000111344485 643335495 /nfs/dbraw/zinc/33/54/95/643335495.db2.gz ZIBHHWJVRWVGJD-GFCCVEGCSA-N 0 0 384.889 2.407 10 0 GEAERN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111360614 643338093 /nfs/dbraw/zinc/33/80/93/643338093.db2.gz NOHMVBVIPNBLLC-ZDUSSCGKSA-N 0 0 390.292 2.421 10 0 GEAERN CCn1cc(CN2CCCN(C(=O)c3cc(Br)cn3C)CC2)cn1 ZINC000112729047 643372006 /nfs/dbraw/zinc/37/20/06/643372006.db2.gz UAESEGFPKFAPQX-UHFFFAOYSA-N 0 0 394.317 2.352 10 0 GEAERN Cn1cc([C@H]2CCN(C(=O)CCS(=O)(=O)c3ccc(Cl)cc3)C2)cn1 ZINC000116123587 643453061 /nfs/dbraw/zinc/45/30/61/643453061.db2.gz QHXFEQUTDAEYAP-ZDUSSCGKSA-N 0 0 381.885 2.253 10 0 GEAERN Cc1nc(CN2CCCN(S(=O)(=O)c3ccc(Cl)nc3)CC2)cs1 ZINC000116351668 643459657 /nfs/dbraw/zinc/45/96/57/643459657.db2.gz BNYQCINXTOXANQ-UHFFFAOYSA-N 0 0 386.930 2.397 10 0 GEAERN COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000116370580 643461038 /nfs/dbraw/zinc/46/10/38/643461038.db2.gz RDSOMVNDAIRIKC-LBPRGKRZSA-N 0 0 383.857 2.038 10 0 GEAERN Cn1cc([C@@H]2CCN(C(=O)c3cc(I)ccc3O)C2)cn1 ZINC000116466481 643464130 /nfs/dbraw/zinc/46/41/30/643464130.db2.gz LJKLCEGJSKVTEI-SNVBAGLBSA-N 0 0 397.216 2.360 10 0 GEAERN O=C(NCCCc1ccc(Br)cc1F)N[C@H]1CCc2ncnn2C1 ZINC000116570204 643464832 /nfs/dbraw/zinc/46/48/32/643464832.db2.gz APUCHGHDQCCEPU-ZDUSSCGKSA-N 0 0 396.264 2.427 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)c2c(F)cc(F)cc2F)C[C@H]1CC ZINC000116899358 643475785 /nfs/dbraw/zinc/47/57/85/643475785.db2.gz CMSGGBNQWRIKOT-CYBMUJFWSA-N 0 0 380.432 2.225 10 0 GEAERN COCCN1CCN(C(=O)c2ccc(I)cc2)C[C@H]1C ZINC000117285345 643485852 /nfs/dbraw/zinc/48/58/52/643485852.db2.gz XNLWFEXDTNWKNB-GFCCVEGCSA-N 0 0 388.249 2.084 10 0 GEAERN COCCN1CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)C[C@H]1C ZINC000117369577 643489486 /nfs/dbraw/zinc/48/94/86/643489486.db2.gz KHEOEHYSLUCPJU-LLVKDONJSA-N 0 0 397.324 2.343 10 0 GEAERN COC(=O)[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000119355551 643547523 /nfs/dbraw/zinc/54/75/23/643547523.db2.gz MHOGJSIVJGEQTB-SNVBAGLBSA-N 0 0 393.237 2.316 10 0 GEAERN CCCN(C)S(=O)(=O)N[C@@H](CC(=O)OC)c1cccc(Br)c1 ZINC000119987371 643584177 /nfs/dbraw/zinc/58/41/77/643584177.db2.gz JRLZXRYXPRZEDW-ZDUSSCGKSA-N 0 0 393.303 2.230 10 0 GEAERN C[C@H](CC(=O)c1cccc(Br)c1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000120286323 643598449 /nfs/dbraw/zinc/59/84/49/643598449.db2.gz WRVZOMIXCNYTSR-RISCZKNCSA-N 0 0 391.269 2.381 10 0 GEAERN Cn1c(CO)nn(CN2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)c1=S ZINC000120432568 643606767 /nfs/dbraw/zinc/60/67/67/643606767.db2.gz PHWOELLUQIMOST-LLVKDONJSA-N 0 0 383.543 2.228 10 0 GEAERN C[C@@H](NC(=O)N1CCS(=O)(=O)[C@@H](C)C1)c1ccccc1Br ZINC000121785283 643639579 /nfs/dbraw/zinc/63/95/79/643639579.db2.gz AYYMPZAMZLIRAO-WDEREUQCSA-N 0 0 375.288 2.339 10 0 GEAERN COCC(=O)N(C)CC(=O)O[C@H](C)c1ccc(I)cc1 ZINC000123205039 643665650 /nfs/dbraw/zinc/66/56/50/643665650.db2.gz RSPODTZKNAKAFT-SNVBAGLBSA-N 0 0 391.205 2.000 10 0 GEAERN C[C@H]1CN(C(=O)NCc2ccc(O)c(Br)c2)C[C@H]1N1CCOCC1 ZINC000126151034 643722960 /nfs/dbraw/zinc/72/29/60/643722960.db2.gz ZZIXTVIDLAMJSQ-SWLSCSKDSA-N 0 0 398.301 2.017 10 0 GEAERN Cc1cc(NC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)cnc1Cl ZINC000126211143 643724486 /nfs/dbraw/zinc/72/44/86/643724486.db2.gz DGODGAIIXNXPGG-SNVBAGLBSA-N 0 0 378.841 2.109 10 0 GEAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1[nH]nc(C(C)C)c1Br ZINC000127168597 643761513 /nfs/dbraw/zinc/76/15/13/643761513.db2.gz JCNFZBGMSTYJFS-SECBINFHSA-N 0 0 397.277 2.298 10 0 GEAERN CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000130646021 643846706 /nfs/dbraw/zinc/84/67/06/643846706.db2.gz LMVWIXCRFLACQG-AAEUAGOBSA-N 0 0 399.285 2.454 10 0 GEAERN CC[C@@]1(C)NC(=O)N(CC(=O)N[C@H](C)c2cccc(Br)c2)C1=O ZINC000130650162 643846871 /nfs/dbraw/zinc/84/68/71/643846871.db2.gz IMXXJZKTNFEZFA-QLJPJBMISA-N 0 0 382.258 2.347 10 0 GEAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000130988069 643858192 /nfs/dbraw/zinc/85/81/92/643858192.db2.gz CLCUQWHTHCFLRV-NXEZZACHSA-N 0 0 376.272 2.102 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)c2cc(C(C)=O)ccc2Cl)C[C@@H]1C ZINC000132057309 643879856 /nfs/dbraw/zinc/87/98/56/643879856.db2.gz KFWZLXPKIQRRIX-ZDUSSCGKSA-N 0 0 388.917 2.274 10 0 GEAERN Cc1nn(CN2CCN(Cc3c(C)nn(C)c3C)CC2)c(C)c1Br ZINC000152668333 643971324 /nfs/dbraw/zinc/97/13/24/643971324.db2.gz QOLMEDDAQTZSBP-UHFFFAOYSA-N 0 0 395.349 2.388 10 0 GEAERN COC(=O)C[C@H](NC(=O)c1cc[nH]c(=O)c1)c1cccc(Br)c1 ZINC000153219665 643981046 /nfs/dbraw/zinc/98/10/46/643981046.db2.gz FLNZQTCORHUHQX-ZDUSSCGKSA-N 0 0 379.210 2.172 10 0 GEAERN CCn1ccnc1Cn1c(=O)c(Br)cn(Cc2ccccc2)c1=O ZINC000153502419 643989898 /nfs/dbraw/zinc/98/98/98/643989898.db2.gz PBYLVUCQRACUJV-UHFFFAOYSA-N 0 0 389.253 2.086 10 0 GEAERN O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cc(Cl)ncc1Cl ZINC000156428234 644096257 /nfs/dbraw/zinc/09/62/57/644096257.db2.gz SYZGYNNAPMKJPB-TZMCWYRMSA-N 0 0 386.191 2.121 10 0 GEAERN CC(C)[C@@H](O)CC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000156551703 644102662 /nfs/dbraw/zinc/10/26/62/644102662.db2.gz LNIWYTUVNXPDPW-OCCSQVGLSA-N 0 0 398.301 2.428 10 0 GEAERN Nc1ncc(Cl)cc1S(=O)(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000158440701 644144896 /nfs/dbraw/zinc/14/48/96/644144896.db2.gz YOKYYERYSPGSEE-MFKMUULPSA-N 0 0 389.811 2.092 10 0 GEAERN CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000158489062 644146866 /nfs/dbraw/zinc/14/68/66/644146866.db2.gz GXUASOZXYZFDAK-FZMZJTMJSA-N 0 0 399.285 2.454 10 0 GEAERN CCc1nc2n(n1)C[C@H](N[C@H](C(=O)OC)c1cccc(Br)c1)CC2 ZINC000158927945 644168381 /nfs/dbraw/zinc/16/83/81/644168381.db2.gz XKWQRXBLASZVSF-CJNGLKHVSA-N 0 0 393.285 2.422 10 0 GEAERN Cc1ccc(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c(Br)n1 ZINC000159096238 644175718 /nfs/dbraw/zinc/17/57/18/644175718.db2.gz BKXDPBXZEDOOJN-SNVBAGLBSA-N 0 0 398.282 2.291 10 0 GEAERN Cc1cc(Cl)c(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)cc1Cl ZINC000164454818 644264272 /nfs/dbraw/zinc/26/42/72/644264272.db2.gz QJMXIPRPHUGUST-LBPRGKRZSA-N 0 0 386.279 2.173 10 0 GEAERN CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000166747742 644277891 /nfs/dbraw/zinc/27/78/91/644277891.db2.gz BNANYIZFVCTABZ-NSHDSACASA-N 0 0 378.643 2.322 10 0 GEAERN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N1CCOC[C@H]1CO ZINC000168472283 644281126 /nfs/dbraw/zinc/28/11/26/644281126.db2.gz LSACJYJSTZMRAG-MWLCHTKSSA-N 0 0 378.650 2.090 10 0 GEAERN Cn1nc(Br)c2c1ncnc2N1CCO[C@@H](c2nccs2)C1 ZINC000171131988 644313529 /nfs/dbraw/zinc/31/35/29/644313529.db2.gz UCAWYGLIADQUSE-MRVPVSSYSA-N 0 0 381.259 2.160 10 0 GEAERN COC(=O)[C@@H]1C[C@H]1C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000171194317 644315889 /nfs/dbraw/zinc/31/58/89/644315889.db2.gz FEFAEVCEIPYWEV-CHWSQXEVSA-N 0 0 378.226 2.442 10 0 GEAERN C[C@H]1CN(C(=O)C(=O)Nc2cccc(I)c2)CCS1 ZINC000171471435 644324482 /nfs/dbraw/zinc/32/44/82/644324482.db2.gz LVAUUXKWJAFNLA-VIFPVBQESA-N 0 0 390.246 2.194 10 0 GEAERN CC[C@H]1CN(S(=O)(=O)c2ccc(Cl)nc2Cl)CCN1CCOC ZINC000172263961 644337951 /nfs/dbraw/zinc/33/79/51/644337951.db2.gz VFCBOKCHTUIEIV-NSHDSACASA-N 0 0 382.313 2.120 10 0 GEAERN CCc1nnc([C@H]2CN(C(=O)Cc3ccc(F)c(Br)c3)CCO2)[nH]1 ZINC000173095225 644350898 /nfs/dbraw/zinc/35/08/98/644350898.db2.gz JMFJSKLMIKRHFI-CYBMUJFWSA-N 0 0 397.248 2.411 10 0 GEAERN CCc1nnc([C@@H]2CN(C(=O)c3cc(Br)ccc3O)CCO2)[nH]1 ZINC000174644699 644378606 /nfs/dbraw/zinc/37/86/06/644378606.db2.gz KIRCTMRHXYWGEG-LBPRGKRZSA-N 0 0 381.230 2.049 10 0 GEAERN C[C@@H]1CN(C(=O)c2ccc3ncc(I)n3c2)C[C@@H](C)O1 ZINC000175672697 644392964 /nfs/dbraw/zinc/39/29/64/644392964.db2.gz AXYPUUQWARHQLS-NXEZZACHSA-N 0 0 385.205 2.188 10 0 GEAERN C[C@@H](NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)c1ccc(F)c(Cl)c1 ZINC000175792749 644394031 /nfs/dbraw/zinc/39/40/31/644394031.db2.gz LIIWAAOCOITDEJ-PSLIRLAXSA-N 0 0 383.832 2.386 10 0 GEAERN C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)c1ccccc1Br ZINC000177595402 644419849 /nfs/dbraw/zinc/41/98/49/644419849.db2.gz DSHVSAVGMHLAAT-MNOVXSKESA-N 0 0 377.242 2.403 10 0 GEAERN O=C(Nc1cc(Cl)cc(Cl)c1)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000177650743 644422000 /nfs/dbraw/zinc/42/20/00/644422000.db2.gz FFUVWSALMSJBRC-AWEZNQCLSA-N 0 0 383.235 2.056 10 0 GEAERN O=C(N[C@@H]1CCCC[C@H]1CO)c1cccn2c(I)cnc12 ZINC000179240116 644454359 /nfs/dbraw/zinc/45/43/59/644454359.db2.gz UVCJEOQUXJAPJE-CMPLNLGQSA-N 0 0 399.232 2.220 10 0 GEAERN C[C@H](NC(=O)C[C@@H](O)c1ccc(Cl)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000179609423 644465649 /nfs/dbraw/zinc/46/56/49/644465649.db2.gz PAFDVVQSKXYCJO-MEDUHNTESA-N 0 0 382.869 2.288 10 0 GEAERN C[C@H](OC(=O)c1ccc(S(C)(=O)=O)c(Br)c1)[C@@H]1CCOC1 ZINC000180020977 644483155 /nfs/dbraw/zinc/48/31/55/644483155.db2.gz XUQAODNDOPUPPI-GXSJLCMTSA-N 0 0 377.256 2.434 10 0 GEAERN Cc1nc(S(=O)(=O)N2CCC[C@@H]2c2cnn(C)c2)sc1Br ZINC000180065199 644486319 /nfs/dbraw/zinc/48/63/19/644486319.db2.gz NWYKKDMGZCSVJZ-SNVBAGLBSA-N 0 0 391.316 2.473 10 0 GEAERN C[C@H](C(=O)Nc1cccc(Cl)c1)S(=O)(=O)Cc1nnc(C2CC2)n1C ZINC000180068053 644486807 /nfs/dbraw/zinc/48/68/07/644486807.db2.gz IGEDEGBVMMMAED-SNVBAGLBSA-N 0 0 382.873 2.288 10 0 GEAERN COC(=O)[C@@H](NC(=O)c1ccc(OC)c(Br)n1)c1ccccc1 ZINC000180973624 644519614 /nfs/dbraw/zinc/51/96/14/644519614.db2.gz HKEAUGMVOFCWPL-ZDUSSCGKSA-N 0 0 379.210 2.497 10 0 GEAERN C[C@H](C(=O)N(C)c1cccc(Br)n1)N1C(=O)c2ccccc2C1=O ZINC000184427953 645017826 /nfs/dbraw/zinc/01/78/26/645017826.db2.gz MXQWOECHFXYQHF-SNVBAGLBSA-N 0 0 388.221 2.492 10 0 GEAERN C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC(Cl)(Cl)Cl ZINC000184624320 645023100 /nfs/dbraw/zinc/02/31/00/645023100.db2.gz GVBOYASDKVKPLJ-SSDOTTSWSA-N 0 0 378.636 2.406 10 0 GEAERN C[C@@H](OC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21)C(Cl)(Cl)Cl ZINC000184646306 645023640 /nfs/dbraw/zinc/02/36/40/645023640.db2.gz SEUHSCXQWFDEAK-JGVFFNPUSA-N 0 0 399.683 2.416 10 0 GEAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCCCCC(F)(F)F ZINC000184948588 645029100 /nfs/dbraw/zinc/02/91/00/645029100.db2.gz ZZLQSIKDSMBYJD-SNVBAGLBSA-N 0 0 378.372 2.389 10 0 GEAERN NC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCO[C@@H]2c2ccc(Cl)cc2Cl)CCO1 ZINC000185158137 645037543 /nfs/dbraw/zinc/03/75/43/645037543.db2.gz XCLCLRSBPWGJOI-VHDGCEQUSA-N 0 0 387.263 2.174 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000192115187 645194829 /nfs/dbraw/zinc/19/48/29/645194829.db2.gz GCBMWVKCTRQTEM-JTQLQIEISA-N 0 0 377.229 2.256 10 0 GEAERN C[C@H]1COC[C@H](C)N1C(=O)COc1cccc(I)c1 ZINC000192592195 645213104 /nfs/dbraw/zinc/21/31/04/645213104.db2.gz VRJTYPGGTUVEOO-QWRGUYRKSA-N 0 0 375.206 2.306 10 0 GEAERN C[C@@H]1COC[C@@H](C)N1C(=O)COc1cccc(I)c1 ZINC000192592213 645213218 /nfs/dbraw/zinc/21/32/18/645213218.db2.gz VRJTYPGGTUVEOO-GHMZBOCLSA-N 0 0 375.206 2.306 10 0 GEAERN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000193623428 645291007 /nfs/dbraw/zinc/29/10/07/645291007.db2.gz YPJGJWAGTXXXRF-RHSMWYFYSA-N 0 0 382.913 2.405 10 0 GEAERN C[C@@H](OC(=O)C1CCN(S(N)(=O)=O)CC1)c1ccccc1C(F)(F)F ZINC000193675643 645291542 /nfs/dbraw/zinc/29/15/42/645291542.db2.gz KMHFVRDVRNSVIH-SNVBAGLBSA-N 0 0 380.388 2.225 10 0 GEAERN Cc1nn(CN2CCCC[C@@H]2c2nccs2)c(=S)n1CC(=O)N(C)C ZINC000195300916 645370935 /nfs/dbraw/zinc/37/09/35/645370935.db2.gz BUZIKHVOMQSJDX-CYBMUJFWSA-N 0 0 380.543 2.452 10 0 GEAERN COC(=O)Cc1csc(NC(=O)CN2CCCC[C@H]2c2nccs2)n1 ZINC000195360144 645374398 /nfs/dbraw/zinc/37/43/98/645374398.db2.gz GHXUFKYQNBYOHA-LBPRGKRZSA-N 0 0 380.495 2.481 10 0 GEAERN Cc1csc([C@H]2CN([C@@H](C)C(=O)Nc3sccc3C(N)=O)CCO2)n1 ZINC000195389447 645375511 /nfs/dbraw/zinc/37/55/11/645375511.db2.gz BOCVLCFOVWFMQM-CMPLNLGQSA-N 0 0 380.495 2.012 10 0 GEAERN COC(=O)[C@H]1CN(C(=O)c2cccc(C)c2I)C[C@H]1C ZINC000228300357 645395773 /nfs/dbraw/zinc/39/57/73/645395773.db2.gz DQPJXUYILGQCJW-PWSUYJOCSA-N 0 0 387.217 2.481 10 0 GEAERN Cc1nc(S(=O)(=O)N2CCN3CCCC[C@H]3C2)sc1Br ZINC000245549835 645460853 /nfs/dbraw/zinc/46/08/53/645460853.db2.gz ZVSZIVLQWHQKEO-JTQLQIEISA-N 0 0 380.333 2.073 10 0 GEAERN CC(=O)c1cc(S(=O)(=O)N2CCN3CCC[C@H]3C2)ccc1Br ZINC000245858722 645470672 /nfs/dbraw/zinc/47/06/72/645470672.db2.gz ODCOEXZUQYGEKH-LBPRGKRZSA-N 0 0 387.299 2.120 10 0 GEAERN C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000246121948 645476714 /nfs/dbraw/zinc/47/67/14/645476714.db2.gz AYLDZVYRBRJBQT-XJKSGUPXSA-N 0 0 382.302 2.183 10 0 GEAERN C[C@@H]1COC[C@@H](C)N1C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000247068621 645503271 /nfs/dbraw/zinc/50/32/71/645503271.db2.gz SAHSFXFLGIRGGN-JMSVASOKSA-N 0 0 381.270 2.438 10 0 GEAERN C[C@H](Oc1cccc(Br)c1)C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000247153759 645506542 /nfs/dbraw/zinc/50/65/42/645506542.db2.gz QBDJUGZMIDZFAU-JKIFEVAISA-N 0 0 397.313 2.396 10 0 GEAERN COCCN1CCN(CC(=O)Nc2ccc(Br)c(C)c2)C[C@@H]1C ZINC000247769433 645517390 /nfs/dbraw/zinc/51/73/90/645517390.db2.gz OSHITNXOFFGQHO-AWEZNQCLSA-N 0 0 384.318 2.349 10 0 GEAERN CC[C@@H]1CN(C(=O)NCc2sccc2Br)CC[N@@H+]1C[C@H](C)O ZINC000248432185 645525882 /nfs/dbraw/zinc/52/58/82/645525882.db2.gz CAJHFAIFEJCQTO-NWDGAFQWSA-N 0 0 390.347 2.497 10 0 GEAERN C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)[C@@H]1CCCO[C@@H]1C ZINC000249040168 645545763 /nfs/dbraw/zinc/54/57/63/645545763.db2.gz ZASUQGAUBVAHEK-UHIISALHSA-N 0 0 385.258 2.179 10 0 GEAERN Nc1nnnn1N=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000249908470 645562947 /nfs/dbraw/zinc/56/29/47/645562947.db2.gz NMGPPLHHLJLCOR-UHFFFAOYSA-N 0 0 378.146 2.068 10 0 GEAERN COC(=O)c1cc(Cl)cc(Cl)c1N1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000262105601 645616873 /nfs/dbraw/zinc/61/68/73/645616873.db2.gz JQEHOFHUYFFCIS-LLVKDONJSA-N 0 0 391.251 2.002 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)Cc2csc(-c3cccs3)n2)C1 ZINC000262732929 645643067 /nfs/dbraw/zinc/64/30/67/645643067.db2.gz UYNTZMLKSYVNIB-UHFFFAOYSA-N 0 0 379.507 2.468 10 0 GEAERN C[N@@H+](CC(=O)[O-])C[C@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cc2F)CCO1 ZINC000263117193 645653607 /nfs/dbraw/zinc/65/36/07/645653607.db2.gz WJTACJIOROGKKC-VIFPVBQESA-N 0 0 394.230 2.382 10 0 GEAERN C[C@@H]1Cc2cc(S(=O)(=O)NC[C@@H]3CCn4ccnc4C3)cc(Cl)c2O1 ZINC000328616779 647310829 /nfs/dbraw/zinc/31/08/29/647310829.db2.gz CAEPIKTXKVIGHX-VXGBXAGGSA-N 0 0 381.885 2.401 10 0 GEAERN Cc1nc(N[C@@H](C)c2cccc(Br)c2)sc1S(N)(=O)=O ZINC000380344843 647887478 /nfs/dbraw/zinc/88/74/78/647887478.db2.gz ZGGNENOZWFYUIS-ZETCQYMHSA-N 0 0 376.301 3.035 10 0 GEAERN CS(=O)(=O)c1ccsc1NC(=O)[C@@H](C[C@H]1COCCO1)C(F)(F)F ZINC000606445019 651553482 /nfs/dbraw/zinc/55/34/82/651553482.db2.gz IXMZZXSRBQHASF-DTWKUNHWSA-N 0 0 387.401 2.074 10 0 GEAERN COC(=O)[C@@H]1CCCN(C(=O)c2cccc(F)c2I)C1 ZINC000611000653 651697190 /nfs/dbraw/zinc/69/71/90/651697190.db2.gz ZIQJGXCGMGSNLY-SECBINFHSA-N 0 0 391.180 2.456 10 0 GEAERN O[C@H]1COCC[C@@H]1Nc1ncc(C(F)(F)F)cc1I ZINC000601202456 653083072 /nfs/dbraw/zinc/08/30/72/653083072.db2.gz AKAGQMUSZOIHPH-IUCAKERBSA-N 0 0 388.127 2.267 10 0 GEAERN CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC000702849356 653320366 /nfs/dbraw/zinc/32/03/66/653320366.db2.gz BIZJKFAIDXAPNQ-KCJUWKMLSA-N 0 0 378.256 2.279 10 0 GEAERN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2nc(Cl)ccc2Cl)C1 ZINC000705695858 653321623 /nfs/dbraw/zinc/32/16/23/653321623.db2.gz NJOULPBVQZUFLZ-GXSJLCMTSA-N 0 0 390.267 2.346 10 0 GEAERN Cc1nnc([C@@H]2CN(S(=O)(=O)Cc3cc(Cl)cc(Cl)c3)CCO2)[nH]1 ZINC000151575310 531510627 /nfs/dbraw/zinc/51/06/27/531510627.db2.gz JATBJVNQZPRIPN-ZDUSSCGKSA-N 0 0 391.280 2.323 10 0 GEAERN Cc1ccc(NC(=O)N2CCO[C@H](Cn3cccn3)C2)c(Br)n1 ZINC000151457316 531502165 /nfs/dbraw/zinc/50/21/65/531502165.db2.gz JINFCWCGDWZXKE-LBPRGKRZSA-N 0 0 380.246 2.282 10 0 GEAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)N(C)Cc1ccc(Br)o1 ZINC000152911941 531577308 /nfs/dbraw/zinc/57/73/08/531577308.db2.gz SDBNWZOVWZRCTC-LLVKDONJSA-N 0 0 398.261 2.457 10 0 GEAERN C[C@H](NC(=O)c1cccc(C[S@](C)=O)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000025994641 531615632 /nfs/dbraw/zinc/61/56/32/531615632.db2.gz OGZDYZDVVGJXFP-RKNYENMMSA-N 0 0 379.503 2.460 10 0 GEAERN Cc1cc(S(=O)(=O)NCCNc2ccccc2S(C)(=O)=O)c(C)s1 ZINC000154387482 531623264 /nfs/dbraw/zinc/62/32/64/531623264.db2.gz YJWFVLOKDWAZKH-UHFFFAOYSA-N 0 0 388.536 2.159 10 0 GEAERN C[C@H](C(=O)NCC(F)(F)F)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000155167196 531661974 /nfs/dbraw/zinc/66/19/74/531661974.db2.gz DFQUGNOUTKCFLV-OLZOCXBDSA-N 0 0 379.448 2.120 10 0 GEAERN CCn1cnnc1C1CCN([C@@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000155414209 531683354 /nfs/dbraw/zinc/68/33/54/531683354.db2.gz UWGPZCUSAZDMNZ-OAHLLOKOSA-N 0 0 392.301 2.467 10 0 GEAERN C[C@@H](NC(=O)CN(C)c1ncnc2nc[nH]c21)c1ccccc1Br ZINC000045978473 531696770 /nfs/dbraw/zinc/69/67/70/531696770.db2.gz AWCUAHKNZPAPKC-SNVBAGLBSA-N 0 0 389.257 2.429 10 0 GEAERN COC(=O)[C@@H]1C[C@@H]1C(=O)NCCCOc1ncc(C(F)(F)F)cc1Cl ZINC000155755242 531698479 /nfs/dbraw/zinc/69/84/79/531698479.db2.gz XLRLFSNOPRMQEZ-VHSXEESVSA-N 0 0 380.750 2.448 10 0 GEAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCC1(C(N)=O)CCOCC1 ZINC000047931260 531724450 /nfs/dbraw/zinc/72/44/50/531724450.db2.gz RRUNHLGEUXYREH-SNVBAGLBSA-N 0 0 375.252 2.159 10 0 GEAERN CCn1cc(C2CCN(S(=O)(=O)c3ccsc3C(=O)OC)CC2)cn1 ZINC000157802301 531754981 /nfs/dbraw/zinc/75/49/81/531754981.db2.gz KYCSVYWIYYMYJG-UHFFFAOYSA-N 0 0 383.495 2.319 10 0 GEAERN CN1CCO[C@@H](CNC(=O)NCCc2cc(Cl)ccc2Br)C1 ZINC000158107292 531767314 /nfs/dbraw/zinc/76/73/14/531767314.db2.gz YGDBUYJNBJXJJA-ZDUSSCGKSA-N 0 0 390.709 2.275 10 0 GEAERN CC(C)c1nc2n(n1)C[C@@H](NS(=O)(=O)c1cnc(Cl)c(Cl)c1)CC2 ZINC000159352026 531779917 /nfs/dbraw/zinc/77/99/17/531779917.db2.gz ASFAOYCWYPJMAF-VIFPVBQESA-N 0 0 390.296 2.397 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ncc(C)cc1Br ZINC000162858486 531851742 /nfs/dbraw/zinc/85/17/42/531851742.db2.gz IFJHUHGMLZMMKR-GFCCVEGCSA-N 0 0 390.303 2.295 10 0 GEAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000162726817 531847631 /nfs/dbraw/zinc/84/76/31/531847631.db2.gz FTFYLAZKPRUQTL-NSHDSACASA-N 0 0 378.734 2.461 10 0 GEAERN Cc1cnn([C@H]2CCCN(C(=O)C(=O)Nc3ccc(Br)nc3)C2)c1 ZINC000163485664 531859572 /nfs/dbraw/zinc/85/95/72/531859572.db2.gz PWKSUTMJNINLRF-ZDUSSCGKSA-N 0 0 392.257 2.151 10 0 GEAERN CN1CCO[C@H](CNC(=O)Nc2cnn(-c3ccccc3Br)c2)C1 ZINC000165035120 531871691 /nfs/dbraw/zinc/87/16/91/531871691.db2.gz BXYPHILBOZGCNL-CYBMUJFWSA-N 0 0 394.273 2.087 10 0 GEAERN O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000168944219 531881145 /nfs/dbraw/zinc/88/11/45/531881145.db2.gz MHBWFEBWGRDDBN-CHWSQXEVSA-N 0 0 381.441 2.197 10 0 GEAERN CSc1ncc(Cl)c(C(=O)N2CCCN(c3ccc(C)nn3)CC2)n1 ZINC000171811419 531919283 /nfs/dbraw/zinc/91/92/83/531919283.db2.gz GONJZALMNPAMFI-UHFFFAOYSA-N 0 0 378.889 2.303 10 0 GEAERN C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000114841212 531956915 /nfs/dbraw/zinc/95/69/15/531956915.db2.gz JCDCEVFPWUIIID-XPUUQOCRSA-N 0 0 396.163 2.248 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)COc1ccc(Br)cc1F)CC2 ZINC000114870560 531957599 /nfs/dbraw/zinc/95/75/99/531957599.db2.gz DAZDDDAJXBOPNA-LLVKDONJSA-N 0 0 397.248 2.252 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cccc(I)c1)CC2 ZINC000114869250 531958046 /nfs/dbraw/zinc/95/80/46/531958046.db2.gz ZYNLSCXAWUDEIA-GFCCVEGCSA-N 0 0 396.232 2.190 10 0 GEAERN O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113894169 531952948 /nfs/dbraw/zinc/95/29/48/531952948.db2.gz YBYOLMGZTOJXDG-LLVKDONJSA-N 0 0 388.902 2.157 10 0 GEAERN O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC[C@H](n2cncn2)C1 ZINC000114209415 531956476 /nfs/dbraw/zinc/95/64/76/531956476.db2.gz GHOHHEVRRFAEEK-NSHDSACASA-N 0 0 376.360 2.203 10 0 GEAERN O=C(c1[nH]c2ccccc2c1Br)N1CC[C@@H](N2CCOCC2)C1 ZINC000172767352 531966719 /nfs/dbraw/zinc/96/67/19/531966719.db2.gz SCYCADDYTIZJJR-GFCCVEGCSA-N 0 0 378.270 2.477 10 0 GEAERN C[C@H](COCc1ccccc1)NC(=O)c1nc2ncc(Br)cn2n1 ZINC000172974029 531976618 /nfs/dbraw/zinc/97/66/18/531976618.db2.gz NPGGCVWLQYCLBJ-LLVKDONJSA-N 0 0 390.241 2.222 10 0 GEAERN C[C@H](COCc1ccccc1)NC(=O)c1sccc1S(=O)(=O)N(C)C ZINC000172968994 531977053 /nfs/dbraw/zinc/97/70/53/531977053.db2.gz QZLGTYMXOCMSDP-CYBMUJFWSA-N 0 0 382.507 2.334 10 0 GEAERN COC(=O)[C@@H](c1cccc(Br)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000120881293 532000600 /nfs/dbraw/zinc/00/06/00/532000600.db2.gz MKWBIQZHTCOYGA-JKSUJKDBSA-N 0 0 394.269 2.261 10 0 GEAERN Cc1noc([C@H]2COCCN2C(=O)COc2ccccc2Br)n1 ZINC000121017484 532008204 /nfs/dbraw/zinc/00/82/04/532008204.db2.gz VRMXFBCZBUUOOZ-GFCCVEGCSA-N 0 0 382.214 2.119 10 0 GEAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(Br)cn2C)ncn1 ZINC000173414806 532009430 /nfs/dbraw/zinc/00/94/30/532009430.db2.gz XBPYBYSGRCSDPK-LBPRGKRZSA-N 0 0 393.289 2.018 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)Cc3csc(-c4cccs4)n3)CCO2)[nH]1 ZINC000173535221 532016091 /nfs/dbraw/zinc/01/60/91/532016091.db2.gz BNRFQBFSXUAEKO-LBPRGKRZSA-N 0 0 375.479 2.441 10 0 GEAERN O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)C(=O)N1CCC[C@@H]1CO ZINC000121186565 532016435 /nfs/dbraw/zinc/01/64/35/532016435.db2.gz BEXRDWISXAQWRM-SNVBAGLBSA-N 0 0 380.750 2.203 10 0 GEAERN Cn1cc([C@H]2CCN([C@H](C(N)=O)c3ccc(Br)cc3F)C2)cn1 ZINC000121195742 532018145 /nfs/dbraw/zinc/01/81/45/532018145.db2.gz LCMWKXZDEFHIIA-BONVTDFDSA-N 0 0 381.249 2.338 10 0 GEAERN O=S(=O)(c1c(Cl)cccc1C(F)(F)F)N1CC[C@@H](N2CCOCC2)C1 ZINC000173645805 532024580 /nfs/dbraw/zinc/02/45/80/532024580.db2.gz XTYIOVLQZNSGJV-LLVKDONJSA-N 0 0 398.834 2.454 10 0 GEAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3Cl)CCO2)[nH]1 ZINC000173735970 532029275 /nfs/dbraw/zinc/02/92/75/532029275.db2.gz BYJDLVJKDJJZCD-NSHDSACASA-N 0 0 377.253 2.182 10 0 GEAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CCO2)[nH]1 ZINC000173733557 532029663 /nfs/dbraw/zinc/02/96/63/532029663.db2.gz NFLKYEXPZDLSTB-GFCCVEGCSA-N 0 0 377.253 2.182 10 0 GEAERN COc1cc(Br)ccc1C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000173845333 532037910 /nfs/dbraw/zinc/03/79/10/532037910.db2.gz ABLHHSITXDCFEE-SWLSCSKDSA-N 0 0 383.286 2.250 10 0 GEAERN Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)cc1C(F)(F)F ZINC000174001329 532045033 /nfs/dbraw/zinc/04/50/33/532045033.db2.gz DDEYTOKBNSIVKZ-ZDUSSCGKSA-N 0 0 378.416 2.109 10 0 GEAERN CC(C)c1csc([C@@H]2CCCN(C(=O)[C@H]3CCCN3S(C)(=O)=O)C2)n1 ZINC000173961332 532043998 /nfs/dbraw/zinc/04/39/98/532043998.db2.gz FFBRCQDITJYRJW-UKRRQHHQSA-N 0 0 385.555 2.397 10 0 GEAERN CCc1nnc([C@@H]2CN(Cc3cc4c(c(Br)c3)OCO4)CCO2)[nH]1 ZINC000174100563 532048298 /nfs/dbraw/zinc/04/82/98/532048298.db2.gz NUGSOYQGSXXKRX-ZDUSSCGKSA-N 0 0 395.257 2.432 10 0 GEAERN Cc1nnc([C@@H]2CN(Cc3nnc(-c4ccc(Br)o4)o3)CCO2)[nH]1 ZINC000174096760 532048761 /nfs/dbraw/zinc/04/87/61/532048761.db2.gz NVTXILSJELIVBO-JTQLQIEISA-N 0 0 395.217 2.092 10 0 GEAERN Cc1nnc([C@@H]2CN(Cc3cc4c(cc3Br)OCCO4)CCO2)[nH]1 ZINC000174098227 532049020 /nfs/dbraw/zinc/04/90/20/532049020.db2.gz CJAUKOIPKDOVEQ-HNNXBMFYSA-N 0 0 395.257 2.220 10 0 GEAERN C[C@@H](O)CN1CCN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)C[C@H]1C ZINC000122342196 532067572 /nfs/dbraw/zinc/06/75/72/532067572.db2.gz JCDXVTODYXUHLO-VXGBXAGGSA-N 0 0 381.325 2.210 10 0 GEAERN Cc1cc(N2CCC[C@H](NC(=O)c3coc(Br)c3)C2=O)n(C)n1 ZINC000175009439 532086196 /nfs/dbraw/zinc/08/61/96/532086196.db2.gz OCXUZIHCMNISRN-NSHDSACASA-N 0 0 381.230 2.009 10 0 GEAERN C[C@@H]1CN(C(=O)COc2ccccc2Br)C[C@H]1N1CCOCC1 ZINC000123125364 532092704 /nfs/dbraw/zinc/09/27/04/532092704.db2.gz CQDUGCLYSBLXEB-UKRRQHHQSA-N 0 0 383.286 2.007 10 0 GEAERN COc1cc(S(=O)(=O)N2CCN3CCCC[C@@H]3C2)ccc1Br ZINC000175221716 532093830 /nfs/dbraw/zinc/09/38/30/532093830.db2.gz RKARCFCUZJUJRS-GFCCVEGCSA-N 0 0 389.315 2.317 10 0 GEAERN CCCCN(C)S(=O)(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000175224828 532094095 /nfs/dbraw/zinc/09/40/95/532094095.db2.gz FKGIOSYNMBQMDJ-CABCVRRESA-N 0 0 375.560 2.076 10 0 GEAERN O=C(Cc1c[nH]c2cc(Br)ccc12)N1CC[C@H](N2CCOCC2)C1 ZINC000123147573 532094210 /nfs/dbraw/zinc/09/42/10/532094210.db2.gz RFLROKJPKZPJOI-HNNXBMFYSA-N 0 0 392.297 2.406 10 0 GEAERN Cc1nnc([C@@H]2CN(C(=O)NCc3cc(F)ccc3Br)CCO2)[nH]1 ZINC000175428001 532103007 /nfs/dbraw/zinc/10/30/07/532103007.db2.gz CQPAPCYEPRFWBM-ZDUSSCGKSA-N 0 0 398.236 2.298 10 0 GEAERN Cc1cc(N2CCC[C@H](NC(=O)c3ccc(Cl)nc3Cl)C2=O)n(C)n1 ZINC000175421677 532103226 /nfs/dbraw/zinc/10/32/26/532103226.db2.gz GOEXCYUATPVPME-NSHDSACASA-N 0 0 382.251 2.356 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)NCc3cc(F)cc(Br)c3)CCO2)[nH]1 ZINC000175433051 532104161 /nfs/dbraw/zinc/10/41/61/532104161.db2.gz SCAZTMWCLUKAOB-CYBMUJFWSA-N 0 0 398.236 2.298 10 0 GEAERN CC(=O)N[C@@H]1CCCN(C(=O)c2cccc(I)c2C)C1 ZINC000123884161 532110093 /nfs/dbraw/zinc/11/00/93/532110093.db2.gz XUHLPBRMFJNWJV-GFCCVEGCSA-N 0 0 386.233 2.340 10 0 GEAERN Cc1ccccc1[C@H](C)NC(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000123492033 532099969 /nfs/dbraw/zinc/09/99/69/532099969.db2.gz UIAIGNKSLKIZPK-NSHDSACASA-N 0 0 392.253 2.272 10 0 GEAERN O=C(NCCNC(=O)c1cccc(Br)c1)N[C@H]1CCCC[C@H]1CO ZINC000176027980 532122981 /nfs/dbraw/zinc/12/29/81/532122981.db2.gz MACLORHRMOYSQT-ZFWWWQNUSA-N 0 0 398.301 2.029 10 0 GEAERN CN1CCO[C@H](CNC(=O)CCc2cc(Cl)ccc2Br)C1 ZINC000176034237 532123062 /nfs/dbraw/zinc/12/30/62/532123062.db2.gz SYNCVJLKTIUQKT-CYBMUJFWSA-N 0 0 375.694 2.482 10 0 GEAERN C[C@@H]1CN(C(=O)NCc2ccc(Br)cc2)C[C@@H]1N1CCOCC1 ZINC000175767518 532113845 /nfs/dbraw/zinc/11/38/45/532113845.db2.gz AIFOYWPTDDUJSG-CJNGLKHVSA-N 0 0 382.302 2.311 10 0 GEAERN O=C(Nc1ccc(Br)cc1Cl)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176102687 532126385 /nfs/dbraw/zinc/12/63/85/532126385.db2.gz YDIMNSSPXFJKIO-LLVKDONJSA-N 0 0 398.648 2.284 10 0 GEAERN C[C@H](CNC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl)N1CCOCC1 ZINC000125390745 532134782 /nfs/dbraw/zinc/13/47/82/532134782.db2.gz PNKAAZYZHWQHLT-BXUZGUMPSA-N 0 0 376.284 2.047 10 0 GEAERN C[C@H](NC(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000125492026 532136115 /nfs/dbraw/zinc/13/61/15/532136115.db2.gz OGWUYDIHWPMWQI-GWCFXTLKSA-N 0 0 375.288 2.339 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)COc1ccc(C=O)cc1Br ZINC000176546263 532140810 /nfs/dbraw/zinc/14/08/10/532140810.db2.gz QCJGJLNZBATPPE-CYBMUJFWSA-N 0 0 393.241 2.192 10 0 GEAERN CC(C)n1nnnc1C[S@@](=O)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000176573402 532141695 /nfs/dbraw/zinc/14/16/95/532141695.db2.gz OMVBZCGTRHARCF-HSZRJFAPSA-N 0 0 376.269 2.448 10 0 GEAERN C[C@@H]1CN([C@@H](CNC(=O)c2cc(C(N)=O)cs2)c2cccs2)CCO1 ZINC000176586982 532142815 /nfs/dbraw/zinc/14/28/15/532142815.db2.gz KQLWNGLVDSGKAF-YPMHNXCESA-N 0 0 379.507 2.100 10 0 GEAERN C[C@@H]1CN(Cc2ccc(I)cc2)C[C@@H]1N1CCOCC1 ZINC000177257331 532166845 /nfs/dbraw/zinc/16/68/45/532166845.db2.gz DQLUTVMWCKNJRM-CJNGLKHVSA-N 0 0 386.277 2.444 10 0 GEAERN CCc1nn(C)c(Cl)c1CN1CCN(C(=O)[C@@H]2CSCCS2)CC1 ZINC000177191974 532164930 /nfs/dbraw/zinc/16/49/30/532164930.db2.gz VDXSRIZEYCQQBV-AWEZNQCLSA-N 0 0 388.990 2.129 10 0 GEAERN Cc1nnc(CN2CCN(Cc3ccc(Br)c(F)c3)CC2)n1C ZINC000177713717 532180865 /nfs/dbraw/zinc/18/08/65/532180865.db2.gz UXFPKLDELYJXKI-UHFFFAOYSA-N 0 0 382.281 2.343 10 0 GEAERN CC(C)c1csc(CNC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000177734793 532181116 /nfs/dbraw/zinc/18/11/16/532181116.db2.gz ROTALMYTPFFWOL-LLVKDONJSA-N 0 0 382.511 2.474 10 0 GEAERN COCc1c(Br)cccc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000177547438 532175863 /nfs/dbraw/zinc/17/58/63/532175863.db2.gz FBHFZUVDRWIKTH-FZMZJTMJSA-N 0 0 399.285 2.201 10 0 GEAERN Cc1ncc(CN2CCN(C(=O)C(=O)Nc3ccccc3Cl)CC2)s1 ZINC000177600934 532176806 /nfs/dbraw/zinc/17/68/06/532176806.db2.gz TVKLXDAIVMQMMV-UHFFFAOYSA-N 0 0 378.885 2.388 10 0 GEAERN O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000177630943 532177824 /nfs/dbraw/zinc/17/78/24/532177824.db2.gz DUFKVILQIBOQSD-SSDOTTSWSA-N 0 0 388.642 2.308 10 0 GEAERN C[C@@H](NC(=O)C(=O)N1CCc2cc(Br)cc(F)c21)[C@H]1CCCO1 ZINC000178419982 532201060 /nfs/dbraw/zinc/20/10/60/532201060.db2.gz QAFOTRMKZYZIRL-NOZJJQNGSA-N 0 0 385.233 2.161 10 0 GEAERN Cn1cc([C@H]2CCCN2C(=O)Nc2cc(Br)cn(C)c2=O)cn1 ZINC000177974312 532188780 /nfs/dbraw/zinc/18/87/80/532188780.db2.gz HTTGPLAGMMUTGL-CYBMUJFWSA-N 0 0 380.246 2.250 10 0 GEAERN O=C(Nc1cccc(Cl)c1)C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000178533192 532204977 /nfs/dbraw/zinc/20/49/77/532204977.db2.gz ZMXNPMCEZMHZBQ-AWEZNQCLSA-N 0 0 378.837 2.313 10 0 GEAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(Br)c(C)[nH]c1=O ZINC000131871746 532205304 /nfs/dbraw/zinc/20/53/04/532205304.db2.gz PLUCVYRIRWPHFU-LLVKDONJSA-N 0 0 380.246 2.277 10 0 GEAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000131893424 532205922 /nfs/dbraw/zinc/20/59/22/532205922.db2.gz PTFANZUOMXXTDX-MFKMUULPSA-N 0 0 377.242 2.157 10 0 GEAERN CCS(=O)(=O)NCCCN1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000132050456 532208360 /nfs/dbraw/zinc/20/83/60/532208360.db2.gz JNMGLBLFJCAHQM-CYBMUJFWSA-N 0 0 375.560 2.143 10 0 GEAERN CNC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)C(C)C ZINC000178691406 532210090 /nfs/dbraw/zinc/21/00/90/532210090.db2.gz MWAPRFBEQLIHFW-ZUZCIYMTSA-N 0 0 386.279 2.233 10 0 GEAERN Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)c3c(F)cccc3Cl)CCO2)n1 ZINC000131803240 532204101 /nfs/dbraw/zinc/20/41/01/532204101.db2.gz MSYQGMHMQSFABN-ZDUSSCGKSA-N 0 0 387.864 2.382 10 0 GEAERN CNC(=O)[C@H](NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)C(C)C ZINC000179127570 532222574 /nfs/dbraw/zinc/22/25/74/532222574.db2.gz XBYDJRZVKNJFBH-BXUZGUMPSA-N 0 0 386.279 2.233 10 0 GEAERN C[C@@H](NC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1)[C@H]1CCCO1 ZINC000179816353 532245451 /nfs/dbraw/zinc/24/54/51/532245451.db2.gz KPKBXALKIOIEME-RDDDGLTNSA-N 0 0 377.185 2.350 10 0 GEAERN C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)C[C@@H](C)O1 ZINC000179819777 532246356 /nfs/dbraw/zinc/24/63/56/532246356.db2.gz LSKAPEHNFALYBM-HTQZYQBOSA-N 0 0 377.185 2.302 10 0 GEAERN CNC(=O)[C@@H]1CCCN1C(=O)Nc1cccc(F)c1I ZINC000133518317 532236420 /nfs/dbraw/zinc/23/64/20/532236420.db2.gz NSOIQUDABZQOAV-JTQLQIEISA-N 0 0 391.184 2.173 10 0 GEAERN Cc1cc(Cl)ccc1NC(=O)CS(=O)(=O)Cc1nnc(C2CC2)n1C ZINC000180072874 532255742 /nfs/dbraw/zinc/25/57/42/532255742.db2.gz JRVPIWGRMMMESF-UHFFFAOYSA-N 0 0 382.873 2.208 10 0 GEAERN C[C@@H](C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)Cc1nnc(C2CC2)n1C ZINC000180071740 532255960 /nfs/dbraw/zinc/25/59/60/532255960.db2.gz KZADNBSBCXGFSB-JTQLQIEISA-N 0 0 382.873 2.288 10 0 GEAERN NC(=O)[C@@H]1COCCN1C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000180202358 532260556 /nfs/dbraw/zinc/26/05/56/532260556.db2.gz NTCNDMVHCPUMRH-LBPRGKRZSA-N 0 0 386.260 2.443 10 0 GEAERN CCN1CCO[C@@H](CNS(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000134703082 532261698 /nfs/dbraw/zinc/26/16/98/532261698.db2.gz TXCUFICPZPKUMM-NSHDSACASA-N 0 0 397.722 2.102 10 0 GEAERN C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2Cl)C[C@H]1N1CCOCC1 ZINC000180252945 532263811 /nfs/dbraw/zinc/26/38/11/532263811.db2.gz VNWJTTRJGVWTRW-BXUZGUMPSA-N 0 0 386.279 2.111 10 0 GEAERN Cc1noc([C@@H](C)N2CCN(S(=O)(=O)c3cccc(C)c3Cl)CC2)n1 ZINC000180286337 532265349 /nfs/dbraw/zinc/26/53/49/532265349.db2.gz ZNMHGNSSTHLJCD-GFCCVEGCSA-N 0 0 384.889 2.407 10 0 GEAERN COCCN1CCN(C(=O)[C@@H]2COc3ccc(Br)cc32)C[C@H]1C ZINC000135097187 532266521 /nfs/dbraw/zinc/26/65/21/532266521.db2.gz FKBDUIAMQCSXOW-IUODEOHRSA-N 0 0 383.286 2.104 10 0 GEAERN COCCN1CCN(C(=O)[C@@H]2COc3ccc(Br)cc32)C[C@@H]1C ZINC000135097205 532267013 /nfs/dbraw/zinc/26/70/13/532267013.db2.gz FKBDUIAMQCSXOW-SWLSCSKDSA-N 0 0 383.286 2.104 10 0 GEAERN CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000180309655 532267073 /nfs/dbraw/zinc/26/70/73/532267073.db2.gz OEYZYFDYDYXKQM-PWSUYJOCSA-N 0 0 377.869 2.263 10 0 GEAERN C[C@H](NC(=O)c1sccc1S(=O)(=O)C(F)F)c1nnc2n1CCCC2 ZINC000135261391 532269189 /nfs/dbraw/zinc/26/91/89/532269189.db2.gz DBFKITODPVVMSH-QMMMGPOBSA-N 0 0 390.437 2.163 10 0 GEAERN O=S(=O)(c1sccc1Br)N1CCC[C@H](Cn2cncn2)C1 ZINC000180977266 532287556 /nfs/dbraw/zinc/28/75/56/532287556.db2.gz ZOTAEJXNLCKYLR-SNVBAGLBSA-N 0 0 391.316 2.203 10 0 GEAERN CCc1nnc([C@H]2CN(C(=O)NCc3ccc(Br)cc3)CCO2)[nH]1 ZINC000139155665 532293056 /nfs/dbraw/zinc/29/30/56/532293056.db2.gz RWTOGEXDFHWADX-CYBMUJFWSA-N 0 0 394.273 2.413 10 0 GEAERN Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@H](C)c1ccccc1Br ZINC000181349983 532296480 /nfs/dbraw/zinc/29/64/80/532296480.db2.gz ATATVOUWNJGBPC-LLVKDONJSA-N 0 0 392.253 2.272 10 0 GEAERN CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cc(Br)ccc2F)C1 ZINC000150772725 532301576 /nfs/dbraw/zinc/30/15/76/532301576.db2.gz DPKUVKKWHNUVNA-YGRLFVJLSA-N 0 0 386.265 2.372 10 0 GEAERN CC(C)[C@H](NC(=O)c1coc(-c2ccc(Br)cc2F)n1)C(N)=O ZINC000181646398 532304009 /nfs/dbraw/zinc/30/40/09/532304009.db2.gz NTUMQFROSLSCFC-LBPRGKRZSA-N 0 0 384.205 2.483 10 0 GEAERN O=C(CCNC(=O)c1ccc(Br)cc1)N[C@H]1CCCC[C@H]1CO ZINC000150995276 532305442 /nfs/dbraw/zinc/30/54/42/532305442.db2.gz ZHVOLKQKTOLLQL-ZFWWWQNUSA-N 0 0 383.286 2.236 10 0 GEAERN O=C(CCNC(=O)c1ccc(Br)cc1)N[C@@H]1CCCC[C@@H]1CO ZINC000150995104 532305481 /nfs/dbraw/zinc/30/54/81/532305481.db2.gz ZHVOLKQKTOLLQL-UKRRQHHQSA-N 0 0 383.286 2.236 10 0 GEAERN C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)nc1)c1nnc2n1CCCC2 ZINC000182133788 532309642 /nfs/dbraw/zinc/30/96/42/532309642.db2.gz PQACXNLIFKOMQV-SECBINFHSA-N 0 0 375.376 2.068 10 0 GEAERN C[C@@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)c1ccc2ccccc2c1 ZINC000185462808 532337879 /nfs/dbraw/zinc/33/78/79/532337879.db2.gz GJYWFIUKKTYBSI-CQSZACIVSA-N 0 0 384.523 2.102 10 0 GEAERN O=C(CCN1CC(NC(=O)C2CCC2)C1)Nc1cccc(Br)c1 ZINC000185933356 532339162 /nfs/dbraw/zinc/33/91/62/532339162.db2.gz MGUJPDWRNCPWTG-UHFFFAOYSA-N 0 0 380.286 2.378 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CCN(C(=O)c2cc(OC)ccc2Br)CC1 ZINC000186632900 532341459 /nfs/dbraw/zinc/34/14/59/532341459.db2.gz NZEZBZGCGUJPAI-UHFFFAOYSA-N 0 0 399.285 2.469 10 0 GEAERN CCS(=O)(=O)c1c(Cl)cccc1CN1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000187090440 532343135 /nfs/dbraw/zinc/34/31/35/532343135.db2.gz KLYYKARUECRNSX-RHSMWYFYSA-N 0 0 386.945 2.286 10 0 GEAERN C[C@@H](CNC(=O)NCc1cc2cc(Br)ccc2[nH]1)N1CCOCC1 ZINC000184385412 532332741 /nfs/dbraw/zinc/33/27/41/532332741.db2.gz NMCBMPDEUZJGIA-LBPRGKRZSA-N 0 0 395.301 2.450 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)Cc1ccc(F)cc1Br)CC2 ZINC000188164010 532347060 /nfs/dbraw/zinc/34/70/60/532347060.db2.gz CFZMSCYAUHOCBK-GFCCVEGCSA-N 0 0 381.249 2.416 10 0 GEAERN CCOc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCCO2)cc1Br ZINC000188437346 532348136 /nfs/dbraw/zinc/34/81/36/532348136.db2.gz BQTCSCPKEPJZFG-MFKMUULPSA-N 0 0 385.258 2.470 10 0 GEAERN CS(=O)(=O)c1cccc(NC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000188458019 532348244 /nfs/dbraw/zinc/34/82/44/532348244.db2.gz VLMFYCNDHXUMDL-BBRMVZONSA-N 0 0 380.491 2.391 10 0 GEAERN C[C@@H]1C(=O)NCCCN1C(=O)COc1ccc(Br)cc1Cl ZINC000188864515 532349892 /nfs/dbraw/zinc/34/98/92/532349892.db2.gz MKYNLMTXEDBHEI-SECBINFHSA-N 0 0 375.650 2.218 10 0 GEAERN Cc1[nH]c(=O)c(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)cc1Br ZINC000188900633 532350060 /nfs/dbraw/zinc/35/00/60/532350060.db2.gz LXDRNIIXXIKEES-JTQLQIEISA-N 0 0 394.273 2.318 10 0 GEAERN CCn1cc([C@@H]2CN(S(=O)(=O)c3ccc(Cl)nc3Cl)CCO2)cn1 ZINC000189222472 532351363 /nfs/dbraw/zinc/35/13/63/532351363.db2.gz ASZDVUDEMSYKIT-NSHDSACASA-N 0 0 391.280 2.367 10 0 GEAERN CCCN1CCCN(C[C@@H](O)COc2cccc(Br)c2)CC1=O ZINC000189399826 532352006 /nfs/dbraw/zinc/35/20/06/532352006.db2.gz YDZHGVHWBHXVBQ-OAHLLOKOSA-N 0 0 385.302 2.133 10 0 GEAERN CC[N@H+](C[C@H](O)COc1cccc(Br)c1)C[C@H](O)C(F)(F)F ZINC000189458700 532352261 /nfs/dbraw/zinc/35/22/61/532352261.db2.gz NVTNRESJXDYXES-AAEUAGOBSA-N 0 0 386.208 2.434 10 0 GEAERN CC[C@@H](O)CN1CCN(C(=O)NCc2cccc(C)c2Br)CC1 ZINC000190482809 532356225 /nfs/dbraw/zinc/35/62/25/532356225.db2.gz LLPOGUQTBSQFED-OAHLLOKOSA-N 0 0 384.318 2.356 10 0 GEAERN CN1CCO[C@H](CNC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)C1 ZINC000190546955 532356719 /nfs/dbraw/zinc/35/67/19/532356719.db2.gz AEASJIJKKVTTPA-ZIAGYGMSSA-N 0 0 387.311 2.202 10 0 GEAERN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCCn1cc(C)cn1 ZINC000190672569 532357413 /nfs/dbraw/zinc/35/74/13/532357413.db2.gz PDYDKHOETQXJDE-CYBMUJFWSA-N 0 0 387.889 2.237 10 0 GEAERN Cc1ccc(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1S(C)(=O)=O ZINC000187750031 532345426 /nfs/dbraw/zinc/34/54/26/532345426.db2.gz KZEYJLCUELNNIM-HOTGVXAUSA-N 0 0 379.503 2.308 10 0 GEAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2ccoc2Br)ncn1 ZINC000193647009 532427701 /nfs/dbraw/zinc/42/77/01/532427701.db2.gz MYSUXFYEWOOCKX-JTQLQIEISA-N 0 0 380.246 2.273 10 0 GEAERN COC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000193923458 532437454 /nfs/dbraw/zinc/43/74/54/532437454.db2.gz UGMPPYKVOPUBFA-CQSZACIVSA-N 0 0 395.253 2.040 10 0 GEAERN CCOc1c(Cl)cc(NC(=O)N2C[C@@H](O)[C@H](n3ccnn3)C2)cc1Cl ZINC000626505207 532437658 /nfs/dbraw/zinc/43/76/58/532437658.db2.gz RNSOAJWKCYXZQH-CHWSQXEVSA-N 0 0 386.239 2.433 10 0 GEAERN CCn1c(C)nnc1C[S@@](=O)Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000194310427 532446839 /nfs/dbraw/zinc/44/68/39/532446839.db2.gz NAPKGIXMANJVQJ-VWLOTQADSA-N 0 0 382.852 2.429 10 0 GEAERN CN1CCO[C@@H](CNC(=O)CCOc2ccc(Cl)cc2Br)C1 ZINC000194600859 532454955 /nfs/dbraw/zinc/45/49/55/532454955.db2.gz CVDNGXJFVVYILN-LBPRGKRZSA-N 0 0 391.693 2.318 10 0 GEAERN CNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000195049316 532464441 /nfs/dbraw/zinc/46/44/41/532464441.db2.gz NIRICRSTTUGRGU-NSHDSACASA-N 0 0 388.898 2.288 10 0 GEAERN Cc1ccc(Cl)cc1NC(=O)[C@H](C)S(=O)(=O)Cc1nnnn1C(C)C ZINC000195428073 532476816 /nfs/dbraw/zinc/47/68/16/532476816.db2.gz PINNGUZDZSHJKH-NSHDSACASA-N 0 0 385.877 2.158 10 0 GEAERN C[C@@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000282543110 532476270 /nfs/dbraw/zinc/47/62/70/532476270.db2.gz NEDFOPUVWSLBGC-WRWORJQWSA-N 0 0 381.679 2.048 10 0 GEAERN CC(C)n1nnnc1CS(=O)(=O)CC(=O)Nc1c(Cl)cccc1Cl ZINC000195428452 532476393 /nfs/dbraw/zinc/47/63/93/532476393.db2.gz BDPHDQZVPUMESM-UHFFFAOYSA-N 0 0 392.268 2.114 10 0 GEAERN C[C@H](C(=O)NCC(F)(F)F)N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000246241016 532535857 /nfs/dbraw/zinc/53/58/57/532535857.db2.gz DFQUGNOUTKCFLV-CHWSQXEVSA-N 0 0 379.448 2.120 10 0 GEAERN COCCN1CCN(S(=O)(=O)c2cc(C)c(Br)s2)C[C@@H]1C ZINC000246521383 532541416 /nfs/dbraw/zinc/54/14/16/532541416.db2.gz OQSCZGOOIBXUCL-NSHDSACASA-N 0 0 397.360 2.160 10 0 GEAERN CS(=O)(=O)Cc1nc(CN2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cs1 ZINC000246659100 532542410 /nfs/dbraw/zinc/54/24/10/532542410.db2.gz KPASFDZQPJWOPZ-WFASDCNBSA-N 0 0 388.461 2.274 10 0 GEAERN C[C@@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)C[C@H]1N1CCOCC1 ZINC000246627585 532543409 /nfs/dbraw/zinc/54/34/09/532543409.db2.gz YJXWZGSZWCQLKH-TZMCWYRMSA-N 0 0 378.416 2.047 10 0 GEAERN COC(=O)[C@H](c1cccc(Br)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000245921532 532527657 /nfs/dbraw/zinc/52/76/57/532527657.db2.gz NWIVMHOEWRJWMM-CVEARBPZSA-N 0 0 383.286 2.070 10 0 GEAERN Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(Cl)cc1F ZINC000246079239 532530944 /nfs/dbraw/zinc/53/09/44/532530944.db2.gz ZIYRXQQJYJNZHO-DOMZBBRYSA-N 0 0 376.881 2.129 10 0 GEAERN O=C([C@@H]1CCc2n[nH]nc2C1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000375085715 532533355 /nfs/dbraw/zinc/53/33/55/532533355.db2.gz UMMXKSVJTUHCTR-MLGOLLRUSA-N 0 0 391.269 2.272 10 0 GEAERN CCCCN(C)S(=O)(=O)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000248332649 532551924 /nfs/dbraw/zinc/55/19/24/532551924.db2.gz FKGIOSYNMBQMDJ-GJZGRUSLSA-N 0 0 375.560 2.076 10 0 GEAERN C[C@@H]1CN([C@H](CNS(=O)(=O)c2ccc(N)cc2)c2cccs2)CCO1 ZINC000248695489 532554496 /nfs/dbraw/zinc/55/44/96/532554496.db2.gz YQRGMWDVCPOBSW-CZUORRHYSA-N 0 0 381.523 2.071 10 0 GEAERN O=C([O-])C[N@H+](CC1CC1)C1CC(NS(=O)(=O)c2cc(F)cc(Cl)c2)C1 ZINC000263487206 532628495 /nfs/dbraw/zinc/62/84/95/532628495.db2.gz NBVFGIBWMCZMOP-UHFFFAOYSA-N 0 0 390.864 2.085 10 0 GEAERN O=C1[C@@H](NC2=NS(=O)(=O)c3ccccc32)CCN1c1cccc(Cl)c1 ZINC000301574242 532754655 /nfs/dbraw/zinc/75/46/55/532754655.db2.gz LVCWDZRHKUWQFL-AWEZNQCLSA-N 0 0 375.837 2.184 10 0 GEAERN O[C@@H](CNc1ccc2cc(Br)c(F)cc2n1)CN1CCOCC1 ZINC000301726260 532759485 /nfs/dbraw/zinc/75/94/85/532759485.db2.gz MSKMYVRGSCEVPW-LBPRGKRZSA-N 0 0 384.249 2.241 10 0 GEAERN CS(=O)(=O)C1(CNc2nnc(Cc3ccc(F)cc3)s2)CCOCC1 ZINC000302122734 532766769 /nfs/dbraw/zinc/76/67/69/532766769.db2.gz UZYHNCANYWJQDB-UHFFFAOYSA-N 0 0 385.486 2.274 10 0 GEAERN CCc1cc(=O)n2nc(N3CCN([C@@H](C)c4nccs4)CC3)sc2n1 ZINC000302182430 532768938 /nfs/dbraw/zinc/76/89/38/532768938.db2.gz FQLNXOFSOVTISO-NSHDSACASA-N 0 0 376.511 2.053 10 0 GEAERN COC(=O)C1=C(C)N=c2s/c(=C\c3ccoc3)c(=O)n2[C@H]1c1ccccc1 ZINC000000670434 212172312 /nfs/dbraw/zinc/17/23/12/212172312.db2.gz CUXHMKUDOJUELY-MJSCBBHESA-N 0 0 380.425 2.001 10 0 GEAERN C[C@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2ncccc12 ZINC000033922349 212160267 /nfs/dbraw/zinc/16/02/67/212160267.db2.gz CCGWWGUXCYXFJW-AWEZNQCLSA-N 0 0 376.416 2.119 10 0 GEAERN CCOc1c(N2CC[C@H]([NH3+])C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21 ZINC000005845124 212148075 /nfs/dbraw/zinc/14/80/75/212148075.db2.gz FXEJDXZADAOEFO-JTQLQIEISA-N 0 0 375.400 2.110 10 0 GEAERN CCOc1c(N2CC[C@@H]([NH3+])C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21 ZINC000005845139 212147380 /nfs/dbraw/zinc/14/73/80/212147380.db2.gz FXEJDXZADAOEFO-SNVBAGLBSA-N 0 0 375.400 2.110 10 0 GEAERN O=C(Nc1c(Cl)ncnc1Cl)C(=O)Nc1c(Cl)ncnc1Cl ZINC000003123953 212147117 /nfs/dbraw/zinc/14/71/17/212147117.db2.gz GMOLNYXIHDNOIM-UHFFFAOYSA-N 0 0 381.994 2.457 10 0 GEAERN Cn1c2c(nc1[C@H]1CCCN1C[C@@H]1CCCN(S(C)(=O)=O)C1)CCCC2 ZINC000328645156 212088766 /nfs/dbraw/zinc/08/87/66/212088766.db2.gz SAPPBQSDULPHDW-MAUKXSAKSA-N 0 0 380.558 2.107 10 0 GEAERN CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000368944730 532935634 /nfs/dbraw/zinc/93/56/34/532935634.db2.gz GPSUWFPOPVHXGP-GHMZBOCLSA-N 0 0 376.404 2.056 10 0 GEAERN CC[C@@H](C)NS(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2 ZINC000002456160 220535866 /nfs/dbraw/zinc/53/58/66/220535866.db2.gz MVAVNGUWAOAVPX-SECBINFHSA-N 0 0 375.288 2.435 10 0 GEAERN CC(C)CC(=O)C(=O)N1CCC([C@]2(CCc3ccccc3)NC(=O)NC2=O)CC1 ZINC000011788260 221125887 /nfs/dbraw/zinc/12/58/87/221125887.db2.gz IIZQLIMSHTWBOU-QFIPXVFZSA-N 0 0 399.491 2.051 10 0 GEAERN Cc1c([C@@H](C)NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cnn1-c1ccccn1 ZINC000011665431 221120409 /nfs/dbraw/zinc/12/04/09/221120409.db2.gz BEMTUTHKTNWVJL-GFCCVEGCSA-N 0 0 389.415 2.293 10 0 GEAERN COc1ccc(C(=O)NC[C@@H]2Cc3cc(-c4cnccn4)ccc3O2)c(OC)n1 ZINC000011970688 221141155 /nfs/dbraw/zinc/14/11/55/221141155.db2.gz YMVIWCPLQLTAAS-HNNXBMFYSA-N 0 0 392.415 2.289 10 0 GEAERN CC(C)N1CCNC(=O)[C@H]1CC(=O)NCc1cc(F)cc(C(F)(F)F)c1 ZINC000012315903 221181632 /nfs/dbraw/zinc/18/16/32/221181632.db2.gz LFVUTEJEDLWVCH-CQSZACIVSA-N 0 0 375.366 2.060 10 0 GEAERN O=C1CCCC(=O)N1c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000012201932 221166918 /nfs/dbraw/zinc/16/69/18/221166918.db2.gz KXHMLZHTEKFTEH-UHFFFAOYSA-N 0 0 384.457 2.477 10 0 GEAERN CS(=O)(=O)N1CCC(C(=O)N[C@H](Cc2ccsc2)c2cccnc2)CC1 ZINC000012228478 221170173 /nfs/dbraw/zinc/17/01/73/221170173.db2.gz BCWJCNGHNAYEAE-QGZVFWFLSA-N 0 0 393.534 2.215 10 0 GEAERN CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCC2CCCCC2)cc1 ZINC000012717837 221221116 /nfs/dbraw/zinc/22/11/16/221221116.db2.gz SOISUMXDJAENLF-HXUWFJFHSA-N 0 0 387.524 2.472 10 0 GEAERN CC(C)c1nc(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccccc2)cs1 ZINC000012744160 221223402 /nfs/dbraw/zinc/22/34/02/221223402.db2.gz ZGYGMHILBMKOIU-QGZVFWFLSA-N 0 0 386.521 2.273 10 0 GEAERN COc1ccccc1NC(=O)[C@H]1[C@H]2C=C[C@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2 ZINC000013131504 221261769 /nfs/dbraw/zinc/26/17/69/221261769.db2.gz OFLPRFFLCKYSPO-VQQMMKBISA-N 0 0 391.427 2.011 10 0 GEAERN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)NC1N=NC(=S)S1 ZINC000013796982 221289604 /nfs/dbraw/zinc/28/96/04/221289604.db2.gz RIKBZUAXWWQCJZ-LBPRGKRZSA-N 0 0 377.495 2.182 10 0 GEAERN O=C(C[C@@H]1C(=O)NCCN1CCc1ccccc1)N1CCc2sccc2C1 ZINC000015077911 221332171 /nfs/dbraw/zinc/33/21/71/221332171.db2.gz IHBNXAOUJMKHKL-GOSISDBHSA-N 0 0 383.517 2.066 10 0 GEAERN Cc1cccc2cc(CN(C[C@@H]3CCCO3)C(=O)CCC(N)=O)c(N(C)C)nc12 ZINC000014986423 221324661 /nfs/dbraw/zinc/32/46/61/221324661.db2.gz UQKGSKOPEZDRII-SFHVURJKSA-N 0 0 398.507 2.382 10 0 GEAERN O=C(COc1ccccc1)N1CCCC[C@@H]1CCn1cc(C(=O)NC2CC2)nn1 ZINC000015003138 221326320 /nfs/dbraw/zinc/32/63/20/221326320.db2.gz SYRYTPYJOLUVKF-QGZVFWFLSA-N 0 0 397.479 2.021 10 0 GEAERN Cc1nc(CC(=O)N2CCC[C@@H](CNS(=O)(=O)c3cccs3)C2)cs1 ZINC000015066629 221329531 /nfs/dbraw/zinc/32/95/31/221329531.db2.gz DHJCTGXWJSGTCP-ZDUSSCGKSA-N 0 0 399.563 2.273 10 0 GEAERN O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1CC(C(c2ccccc2)c2ccccc2)=NO1 ZINC000019113312 221395997 /nfs/dbraw/zinc/39/59/97/221395997.db2.gz QAFRVUMDZLYMEW-HKUYNNGSSA-N 0 0 398.484 2.267 10 0 GEAERN CCC(=O)N1CCc2sc(C(=O)N3CCN(c4ccccn4)CC3)cc2C1 ZINC000065201068 136160051 /nfs/dbraw/zinc/16/00/51/136160051.db2.gz NRYJXFJWCLSWEG-UHFFFAOYSA-N 0 0 384.505 2.400 10 0 GEAERN Cc1cc(C)c2c(n1)nc(C(=O)N(C)Cc1ccco1)nc2N1CCOCC1 ZINC000065232060 136160695 /nfs/dbraw/zinc/16/06/95/136160695.db2.gz QNPLWQUKKBWUBS-UHFFFAOYSA-N 0 0 381.436 2.343 10 0 GEAERN Cc1ccc([C@@H](C)NC(=O)Cn2ncc3c2ncnc3N2CCOCC2)cc1C ZINC000065295131 136162743 /nfs/dbraw/zinc/16/27/43/136162743.db2.gz NAUFMSVYNQYZQH-MRXNPFEDSA-N 0 0 394.479 2.157 10 0 GEAERN O=C(COc1ccc(Cl)cc1Cl)NCc1nccc(N2CCOCC2)n1 ZINC000224170288 136206420 /nfs/dbraw/zinc/20/64/20/136206420.db2.gz MGGRVQMCWCKANA-UHFFFAOYSA-N 0 0 397.262 2.315 10 0 GEAERN CCOc1ccc(S(=O)(=O)NCc2nccc(N3CCCCC3)n2)cc1 ZINC000224164860 136206466 /nfs/dbraw/zinc/20/64/66/136206466.db2.gz LNUYJGSUSPWCNN-UHFFFAOYSA-N 0 0 376.482 2.344 10 0 GEAERN Cc1cc(C)c(S(=O)(=O)NCc2cc(C)nc(N3CCOCC3)n2)c(C)c1 ZINC000224231450 136206522 /nfs/dbraw/zinc/20/65/22/136206522.db2.gz DSEVVCWPCYRUBJ-UHFFFAOYSA-N 0 0 390.509 2.025 10 0 GEAERN Cc1nn(C)c2c1ncnc2N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000028557329 221680207 /nfs/dbraw/zinc/68/02/07/221680207.db2.gz CWXQQBSQSYRCJW-UHFFFAOYSA-N 0 0 388.834 2.427 10 0 GEAERN C[C@@H]1CCc2nc3ncn(CC(=O)NCCc4ccccc4)c(=O)c3cc2C1 ZINC000033059633 221769109 /nfs/dbraw/zinc/76/91/09/221769109.db2.gz GMXPHQDQIOOXPY-OAHLLOKOSA-N 0 0 376.460 2.275 10 0 GEAERN C[C@@H](NC(=O)c1nn(-c2ccccn2)c2c1CS(=O)(=O)CC2)c1ccccc1 ZINC000041070520 221936489 /nfs/dbraw/zinc/93/64/89/221936489.db2.gz QETKHSOEVCNKJF-CQSZACIVSA-N 0 0 396.472 2.229 10 0 GEAERN CCCN1CCc2nc(NC(=O)CN3C(=O)c4ccccc4C3=O)sc2C1 ZINC000056928513 222026747 /nfs/dbraw/zinc/02/67/47/222026747.db2.gz JKOOGKRNYLWROI-UHFFFAOYSA-N 0 0 384.461 2.146 10 0 GEAERN COC(=O)c1ccccc1N(CC(=O)c1cccc(OC)c1)S(C)(=O)=O ZINC000057486377 222033417 /nfs/dbraw/zinc/03/34/17/222033417.db2.gz FYMWBQHTJOZLMT-UHFFFAOYSA-N 0 0 377.418 2.131 10 0 GEAERN O=c1[nH]c(NCCN2CCN(c3n[nH]c4ccccc43)CC2)nc2ccccc21 ZINC000053297239 222009885 /nfs/dbraw/zinc/00/98/85/222009885.db2.gz DIQNAUFAGHULAU-UHFFFAOYSA-N 0 0 389.463 2.034 10 0 GEAERN CC(C)n1nc(-c2cccc(C(=O)NC3=NCCS3)c2)c2c1ncnc2N ZINC000064521265 222072666 /nfs/dbraw/zinc/07/26/66/222072666.db2.gz WGYPOAXANMFHMT-UHFFFAOYSA-N 0 0 381.465 2.489 10 0 GEAERN Cc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2CC(=O)N[C@@H](C)c1ccccn1 ZINC000065306814 222121613 /nfs/dbraw/zinc/12/16/13/222121613.db2.gz PQSSRCOWKPUOIN-KXBFYZLASA-N 0 0 392.459 2.219 10 0 GEAERN COC(=O)c1cc2n(n1)CCN(Cc1ccc3cc(NC(C)=O)ccc3n1)C2 ZINC000065397364 222128587 /nfs/dbraw/zinc/12/85/87/222128587.db2.gz QFNZNJGSQSPTJZ-UHFFFAOYSA-N 0 0 379.420 2.192 10 0 GEAERN Cc1cc(Cl)nc(S(=O)(=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 ZINC000095090493 222330803 /nfs/dbraw/zinc/33/08/03/222330803.db2.gz RPYJFNBHQXMKHH-LLVKDONJSA-N 0 0 375.878 2.469 10 0 GEAERN O=C(OC[C@@H](O)CO)c1ccccc1Nc1cc[n+]([O-])c2cc(Cl)ccc12 ZINC000077293061 222277996 /nfs/dbraw/zinc/27/79/96/222277996.db2.gz QSIBSYLVSFILGA-ZDUSSCGKSA-N 0 0 388.807 2.380 10 0 in-vitro GEAERN COc1ccc(C(=O)N2CCN3C(=O)N(Cc4ccccc4)C[C@H]3C2)cc1OC ZINC000096269063 222406124 /nfs/dbraw/zinc/40/61/24/222406124.db2.gz MCYQWYBXRCPCOA-GOSISDBHSA-N 0 0 395.459 2.466 10 0 GEAERN C[C@@]1(C(=O)NCc2ccc(F)cc2)CCCN(C(=O)NC[C@H]2CCCO2)C1 ZINC000035526852 525802218 /nfs/dbraw/zinc/80/22/18/525802218.db2.gz GXAGWAJYYJDVOH-YLJYHZDGSA-N 0 0 377.460 2.433 10 0 GEAERN CC1CCN(C(=O)C[C@H]2C(=O)NCCN2Cc2ccc(Cl)c(F)c2)CC1 ZINC000055090965 528220221 /nfs/dbraw/zinc/22/02/21/528220221.db2.gz OFJDDAHWOROSNY-KRWDZBQOSA-N 0 0 381.879 2.428 10 0 GEAERN COc1ccc(CN2CCOC[C@H](Oc3ccc(S(C)(=O)=O)cc3)C2)cc1 ZINC000096269037 560054354 /nfs/dbraw/zinc/05/43/54/560054354.db2.gz VBONOGUPJGPDLX-LJQANCHMSA-N 0 0 391.489 2.379 10 0 GEAERN CCCCC(=O)N1CCC(N2CCN(Cc3cccc(F)c3)C(=O)C2=O)CC1 ZINC000035376563 570346968 /nfs/dbraw/zinc/34/69/68/570346968.db2.gz NEDBBUMUPAMJIB-UHFFFAOYSA-N 0 0 389.471 2.178 10 0 GEAERN O=C(c1noc2c1CCCC2)N1CCn2nc([C@@H](O)c3ccccc3)cc2C1 ZINC000221261914 570392297 /nfs/dbraw/zinc/39/22/97/570392297.db2.gz BILJWSYBKXTIBX-FQEVSTJZSA-N 0 0 378.432 2.488 10 0 GEAERN Cc1cccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCC[C@H]2c2ccccn2)c1 ZINC000244828640 570433879 /nfs/dbraw/zinc/43/38/79/570433879.db2.gz UAAVIIWCMQNSKI-LEWJYISDSA-N 0 0 392.503 2.444 10 0 GEAERN CC(C)[NH+]1CCN([C@H]2C[C@H](C(=O)[O-])CN(C(=O)OCc3ccccc3)C2)CC1 ZINC000536957769 570470639 /nfs/dbraw/zinc/47/06/39/570470639.db2.gz FJIZNOKRRQTMLC-OALUTQOASA-N 0 0 389.496 2.124 10 0 GEAERN Cc1ccc(C(=O)NCCC(=O)N2CCCn3nc([C@H](O)C4CC4)cc3C2)cc1 ZINC000223593740 570473563 /nfs/dbraw/zinc/47/35/63/570473563.db2.gz SYZBBLIAJAYORT-OAQYLSRUSA-N 0 0 396.491 2.187 10 0 GEAERN CC(C)NC(=O)c1nn(-c2ccccc2)c(=O)n(Cc2ccccc2Cl)c1=O ZINC000036086180 570530984 /nfs/dbraw/zinc/53/09/84/570530984.db2.gz LBPDRLJUEVQZCH-UHFFFAOYSA-N 0 0 398.850 2.234 10 0 GEAERN COC[C@H](O)CN(Cc1ccccc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000036159656 570555492 /nfs/dbraw/zinc/55/54/92/570555492.db2.gz AMCRKMUXRIOAJW-OAHLLOKOSA-N 0 0 399.516 2.483 10 0 GEAERN Cn1c2ccc(S(=O)(=O)N3CC=C(c4ccccc4)CC3)cc2n(C)c1=O ZINC000032643037 570720825 /nfs/dbraw/zinc/72/08/25/570720825.db2.gz IQGZAQYYIHNTEC-UHFFFAOYSA-N 0 0 383.473 2.355 10 0 GEAERN Cn1c(=O)oc2cc(S(=O)(=O)CCC(=O)Nc3ccc(F)cc3)ccc21 ZINC000007003077 570737791 /nfs/dbraw/zinc/73/77/91/570737791.db2.gz UYZQMFWOTBHAHD-UHFFFAOYSA-N 0 0 378.381 2.073 10 0 GEAERN COc1ccc(-c2cc(N3CCN(C(=O)NC(C)C)CC3)ncn2)cc1OC ZINC000065007975 570783972 /nfs/dbraw/zinc/78/39/72/570783972.db2.gz OOTZWYQDYFEIHW-UHFFFAOYSA-N 0 0 385.468 2.401 10 0 GEAERN COc1ccc2c(c1)[C@]1(C[C@@H]1C(=O)N[C@](C)(C(N)=O)c1ccccc1)CCO2 ZINC000583620148 570801131 /nfs/dbraw/zinc/80/11/31/570801131.db2.gz HOALKQYYRZSTQP-VOQZNFBZSA-N 0 0 380.444 2.252 10 0 GEAERN CCCN(C(=O)c1cnn2c1C[C@@H](CNC(=O)c1cccnc1)CC2)C1CC1 ZINC000583621833 570802241 /nfs/dbraw/zinc/80/22/41/570802241.db2.gz ZMBCPKKMOSXEQP-HNNXBMFYSA-N 0 0 381.480 2.285 10 0 GEAERN CSCC[C@H](NC(=O)c1ccc(N(C)C)cc1)C(=O)NCc1cscn1 ZINC000033138896 570822857 /nfs/dbraw/zinc/82/28/57/570822857.db2.gz CDGWQYNBPBBCKU-INIZCTEOSA-N 0 0 392.550 2.377 10 0 GEAERN C[C@@H](NS(=O)(=O)c1cc(F)ccc1F)c1ccc(S(C)(=O)=O)cc1 ZINC000015359062 642380535 /nfs/dbraw/zinc/38/05/35/642380535.db2.gz BMKOVWCHYPGSJD-SNVBAGLBSA-N 0 0 375.418 2.408 10 0 GEAERN COC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(I)o1 ZINC000042648260 642554457 /nfs/dbraw/zinc/55/44/57/642554457.db2.gz XCMMUNCBAPXBAU-IOCXFXADSA-N 0 0 389.189 2.452 10 0 GEAERN Cc1ccc(O[C@H](C)C(=O)NC[C@H](C)N2CCOCC2)c(Br)c1 ZINC000044498118 642579975 /nfs/dbraw/zinc/57/99/75/642579975.db2.gz JEHZCJWTXLPWJG-UONOGXRCSA-N 0 0 385.302 2.362 10 0 GEAERN COCCN1CCN(C(=O)N[C@H](C)c2ccccc2Br)CC1=O ZINC000093285250 643075815 /nfs/dbraw/zinc/07/58/15/643075815.db2.gz VCFXMVLLUCYRIO-GFCCVEGCSA-N 0 0 384.274 2.010 10 0 GEAERN COC(=O)[C@H](NC(=O)c1cnn2cc(Br)cnc12)c1ccccc1 ZINC000094076884 643086422 /nfs/dbraw/zinc/08/64/22/643086422.db2.gz IIQVWQYBNUCICW-CYBMUJFWSA-N 0 0 389.209 2.136 10 0 GEAERN O=C(c1[nH]ncc1Br)N1CCN(c2nc3cccnc3s2)CC1 ZINC000095957672 643089512 /nfs/dbraw/zinc/08/95/12/643089512.db2.gz PNHZSEJYMJZPRK-UHFFFAOYSA-N 0 0 393.270 2.139 10 0 GEAERN COC(=O)C[C@H](NC(=O)NCc1cnn(C)c1)c1cccc(Br)c1 ZINC000101991786 643119902 /nfs/dbraw/zinc/11/99/02/643119902.db2.gz CZPWYJKEACMFKO-AWEZNQCLSA-N 0 0 395.257 2.286 10 0 GEAERN CCCC(=O)N[C@H]1CCCN([C@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000104682580 643187876 /nfs/dbraw/zinc/18/78/76/643187876.db2.gz GLFBRKPACFBCIR-HOCLYGCPSA-N 0 0 382.302 2.356 10 0 GEAERN CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1CN(C)CCO1 ZINC000104798099 643194873 /nfs/dbraw/zinc/19/48/73/643194873.db2.gz SMLYOLMKWJIKCC-AWEZNQCLSA-N 0 0 388.281 2.450 10 0 GEAERN CN(Cc1ccccc1Br)C(=O)CN1CCC[C@@H](n2cncn2)C1 ZINC000106219365 643226155 /nfs/dbraw/zinc/22/61/55/643226155.db2.gz KNFBSCUFSCDNCT-OAHLLOKOSA-N 0 0 392.301 2.336 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000106396896 643229909 /nfs/dbraw/zinc/22/99/09/643229909.db2.gz WFBHIAGMWGMFKE-GVDBMIGSSA-N 0 0 381.314 2.468 10 0 GEAERN CC(C)c1n[nH]c(C(=O)N2CCCN(c3cccnn3)CC2)c1Br ZINC000106918287 643245857 /nfs/dbraw/zinc/24/58/57/643245857.db2.gz XPWHZNSCIDTPSM-UHFFFAOYSA-N 0 0 393.289 2.438 10 0 GEAERN COc1ccc(Br)c(C(=O)NCCCNC(=O)N[C@H]2C[C@@H]2C)c1 ZINC000109360001 643294185 /nfs/dbraw/zinc/29/41/85/643294185.db2.gz WRMAAQBGCVVWPQ-HZMBPMFUSA-N 0 0 384.274 2.285 10 0 GEAERN CN(c1cccnn1)C1CCN(C(=O)c2ccc(Br)cn2)CC1 ZINC000109642385 643298427 /nfs/dbraw/zinc/29/84/27/643298427.db2.gz NLKRKAMPKXOQGX-UHFFFAOYSA-N 0 0 376.258 2.375 10 0 GEAERN Cc1csc(=O)n1CCC(=O)N1CCCN(Cc2csc(C)n2)CC1 ZINC000109651332 643298886 /nfs/dbraw/zinc/29/88/86/643298886.db2.gz SRBFDFAOCBNZPJ-UHFFFAOYSA-N 0 0 380.539 2.108 10 0 GEAERN Cc1ncc(CN2CCN(C(=O)[C@@H]3CCCN3c3nccs3)CC2)s1 ZINC000110941054 643323119 /nfs/dbraw/zinc/32/31/19/643323119.db2.gz GXJUYNUFYOTUCM-HNNXBMFYSA-N 0 0 377.539 2.221 10 0 GEAERN O=C(NCc1cc(F)cc(Br)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000111835855 643347691 /nfs/dbraw/zinc/34/76/91/643347691.db2.gz TXVGBMFHVHBJAN-OAHLLOKOSA-N 0 0 397.248 2.395 10 0 GEAERN Cc1cnn(C[C@@H]2CN(C(=O)Cc3cccc(Br)c3)CCO2)c1 ZINC000112061068 643353018 /nfs/dbraw/zinc/35/30/18/643353018.db2.gz IFIAEKVAEBCOHH-INIZCTEOSA-N 0 0 378.270 2.424 10 0 GEAERN C[C@@H](Cc1cccc(Br)c1)NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112746242 643372434 /nfs/dbraw/zinc/37/24/34/643372434.db2.gz USZLIXJYQGFBHB-FZMZJTMJSA-N 0 0 378.274 2.286 10 0 GEAERN C[C@@H](Cc1cccc(Br)c1)NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112746240 643372702 /nfs/dbraw/zinc/37/27/02/643372702.db2.gz USZLIXJYQGFBHB-SMDDNHRTSA-N 0 0 378.274 2.286 10 0 GEAERN CCc1csc([C@H]2CCCN(C(=O)[C@@H]3CCCCN3S(C)(=O)=O)C2)n1 ZINC000113204218 643385170 /nfs/dbraw/zinc/38/51/70/643385170.db2.gz HJLMRQMLQXTAAA-ZFWWWQNUSA-N 0 0 385.555 2.226 10 0 GEAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1cc(C(F)(F)F)ccc1Cl ZINC000113298401 643392392 /nfs/dbraw/zinc/39/23/92/643392392.db2.gz YVVXWEQILLQJDP-VIFPVBQESA-N 0 0 380.779 2.244 10 0 GEAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000113298610 643392478 /nfs/dbraw/zinc/39/24/78/643392478.db2.gz XTWFQQVQLATGEG-QMMMGPOBSA-N 0 0 380.779 2.244 10 0 GEAERN CCN(CC)S(=O)(=O)CC(=O)N[C@@H](C)c1ccccc1Br ZINC000114161066 643408786 /nfs/dbraw/zinc/40/87/86/643408786.db2.gz OUYADRGWXPEKLR-NSHDSACASA-N 0 0 377.304 2.298 10 0 GEAERN CCCC(=O)N[C@H]1CCCN(C(=O)c2cc(I)c[nH]2)C1 ZINC000115355525 643437049 /nfs/dbraw/zinc/43/70/49/643437049.db2.gz QTDKXEVRHVADGQ-NSHDSACASA-N 0 0 389.237 2.140 10 0 GEAERN Cn1cc([C@@H]2CCN(S(=O)(=O)c3ccc(Br)s3)C2)cn1 ZINC000116371335 643461686 /nfs/dbraw/zinc/46/16/86/643461686.db2.gz XKMZCGFURAFHLQ-SECBINFHSA-N 0 0 376.301 2.422 10 0 GEAERN Cn1cc([C@H]2CCN(S(=O)(=O)c3ccc(Br)s3)C2)cn1 ZINC000116371339 643461830 /nfs/dbraw/zinc/46/18/30/643461830.db2.gz XKMZCGFURAFHLQ-VIFPVBQESA-N 0 0 376.301 2.422 10 0 GEAERN Cc1ccc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1Br ZINC000116587379 643465652 /nfs/dbraw/zinc/46/56/52/643465652.db2.gz ZOBMTHKMZSMKLR-LBPRGKRZSA-N 0 0 391.269 2.446 10 0 GEAERN Cn1cc([C@@H]2CCN(C(=O)C(=O)Nc3ccccc3Br)C2)cn1 ZINC000116586351 643465743 /nfs/dbraw/zinc/46/57/43/643465743.db2.gz NVMUHUCBFBQSQN-LLVKDONJSA-N 0 0 377.242 2.137 10 0 GEAERN Cc1nc(C)n(C[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)nc3)C2)n1 ZINC000116899882 643475990 /nfs/dbraw/zinc/47/59/90/643475990.db2.gz MZZQUDVXRHPXKO-OAHLLOKOSA-N 0 0 383.905 2.185 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)c2cc(OC)ccc2Cl)C[C@@H]1C ZINC000117368734 643489357 /nfs/dbraw/zinc/48/93/57/643489357.db2.gz FLHFFLPWZWZFGN-ZDUSSCGKSA-N 0 0 376.906 2.080 10 0 GEAERN CCn1c(SCC(=O)NCCn2cc(C)cn2)nnc1-c1cccs1 ZINC000117814383 643499808 /nfs/dbraw/zinc/49/98/08/643499808.db2.gz XPNGKMRUZVJLCP-UHFFFAOYSA-N 0 0 376.511 2.440 10 0 GEAERN Cc1cnn(CCNC(=O)c2nnn(-c3cccc(Br)c3)c2C)c1 ZINC000117818284 643500042 /nfs/dbraw/zinc/50/00/42/643500042.db2.gz YQGNFBLHCZHDQK-UHFFFAOYSA-N 0 0 389.257 2.273 10 0 GEAERN Cc1cnn(CCNC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)c1 ZINC000118077801 643505085 /nfs/dbraw/zinc/50/50/85/643505085.db2.gz RHLFKKYAMRKIRZ-GFCCVEGCSA-N 0 0 387.267 2.237 10 0 GEAERN C[C@@H](CNC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000118467255 643513837 /nfs/dbraw/zinc/51/38/37/643513837.db2.gz OJJXRYUBZXCENL-NHYWBVRUSA-N 0 0 376.284 2.047 10 0 GEAERN COC(=O)C[C@H](NC(=O)CCCC(=O)N(C)C)c1cccc(Br)c1 ZINC000118778762 643522411 /nfs/dbraw/zinc/52/24/11/643522411.db2.gz AZLMNYFWBZJENB-AWEZNQCLSA-N 0 0 399.285 2.428 10 0 GEAERN CCn1cc(NC(=O)C(=O)N[C@H](C)c2ccccc2Br)ccc1=O ZINC000119245100 643545037 /nfs/dbraw/zinc/54/50/37/643545037.db2.gz DEPVFAPWNHPBDJ-LLVKDONJSA-N 0 0 392.253 2.447 10 0 GEAERN Cc1cnn(C[C@H]2CN(C(=O)Nc3cccnc3Br)CCO2)c1 ZINC000119981860 643583530 /nfs/dbraw/zinc/58/35/30/643583530.db2.gz DZGAIFZZNFHJLE-GFCCVEGCSA-N 0 0 380.246 2.282 10 0 GEAERN COCc1c(Br)cccc1NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000120035627 643587364 /nfs/dbraw/zinc/58/73/64/643587364.db2.gz ABTNIEOFKJPAIC-SNVBAGLBSA-N 0 0 380.246 2.324 10 0 GEAERN CCc1ccc(CNC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)s1 ZINC000120405586 643604639 /nfs/dbraw/zinc/60/46/39/643604639.db2.gz KEOUHZYXWJPGCZ-NSHDSACASA-N 0 0 377.491 2.054 10 0 GEAERN Cn1nccc1C1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000124938390 643694233 /nfs/dbraw/zinc/69/42/33/643694233.db2.gz VJUIXRKSFXHJKJ-UHFFFAOYSA-N 0 0 381.885 2.253 10 0 GEAERN O=C(COc1ccc(Br)cc1F)N1CCC[C@H](Cn2cncn2)C1 ZINC000127834529 643787532 /nfs/dbraw/zinc/78/75/32/643787532.db2.gz CUFGIVIAADDVNN-LBPRGKRZSA-N 0 0 397.248 2.497 10 0 GEAERN Cc1cc(I)cc(C(=O)N[C@H]2CCc3ncnn3C2)c1C ZINC000128423878 643802884 /nfs/dbraw/zinc/80/28/84/643802884.db2.gz KRPUXIVKNQIETE-LBPRGKRZSA-N 0 0 396.232 2.244 10 0 GEAERN C[C@@H]1COC[C@H](C)N1C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 ZINC000130295302 643833735 /nfs/dbraw/zinc/83/37/35/643833735.db2.gz LSIOGZUIGRKAJG-AOOOYVTPSA-N 0 0 376.272 2.102 10 0 GEAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cc(I)c[nH]1 ZINC000151596296 643947453 /nfs/dbraw/zinc/94/74/53/643947453.db2.gz SYTIDLCWMRJJLE-VIFPVBQESA-N 0 0 385.209 2.038 10 0 GEAERN Cc1noc([C@H](C)N2CCN(Cn3nc(C)c(Br)c3C)CC2)n1 ZINC000152647136 643971673 /nfs/dbraw/zinc/97/16/73/643971673.db2.gz BQAVNAPONKFJAJ-LBPRGKRZSA-N 0 0 383.294 2.290 10 0 GEAERN CCc1nnc([C@H]2CN(C(=O)Cc3cc(Br)ccc3F)CCO2)[nH]1 ZINC000153226821 643981637 /nfs/dbraw/zinc/98/16/37/643981637.db2.gz RSMGUIIWAKMLQA-CYBMUJFWSA-N 0 0 397.248 2.411 10 0 GEAERN CCc1nnc([C@@H]2CN(C(=O)c3ccc(C)nc3Br)CCO2)[nH]1 ZINC000154007430 644014229 /nfs/dbraw/zinc/01/42/29/644014229.db2.gz USEQVTHWWXBFNC-NSHDSACASA-N 0 0 380.246 2.047 10 0 GEAERN O=C(Cn1cc(Br)ccc1=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000154507123 644047653 /nfs/dbraw/zinc/04/76/53/644047653.db2.gz VNHGZNODSKOOBV-KGLIPLIRSA-N 0 0 395.253 2.319 10 0 GEAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)c1cc(OC)ccc1Br ZINC000155101384 644063591 /nfs/dbraw/zinc/06/35/91/644063591.db2.gz BSAROHXVLFMYHR-CYBMUJFWSA-N 0 0 395.257 2.461 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000155773947 644080176 /nfs/dbraw/zinc/08/01/76/644080176.db2.gz URAHCKKYSZKOQO-IMJJTQAJSA-N 0 0 386.539 2.241 10 0 GEAERN O=C(Cc1c[nH]c2cccc(Br)c12)N1CC[C@H](N2CCOCC2)C1 ZINC000156515835 644100305 /nfs/dbraw/zinc/10/03/05/644100305.db2.gz SPIJVNNOQAUHCB-AWEZNQCLSA-N 0 0 392.297 2.406 10 0 GEAERN CCCCS(=O)(=O)Nc1ccc(Nc2nn3c(nccc3=O)s2)cc1 ZINC000156817065 644119127 /nfs/dbraw/zinc/11/91/27/644119127.db2.gz ILKIWDXJSDDFMX-UHFFFAOYSA-N 0 0 379.467 2.436 10 0 GEAERN COc1ccc(Br)c(S(=O)(=O)N[C@H](CO)c2ccccc2)c1 ZINC000158461514 644145594 /nfs/dbraw/zinc/14/55/94/644145594.db2.gz ZGZOPHJGIUWVQX-CQSZACIVSA-N 0 0 386.267 2.470 10 0 GEAERN Cc1noc([C@H]2COCCN2Cc2cc3c(cc2Br)OCO3)n1 ZINC000158529744 644148092 /nfs/dbraw/zinc/14/80/92/644148092.db2.gz RKKYTNWYUYNEHH-GFCCVEGCSA-N 0 0 382.214 2.443 10 0 GEAERN CNC(=O)[C@@H]1CCCN1C(=O)NCCCc1ccc(Br)cc1F ZINC000158670856 644154896 /nfs/dbraw/zinc/15/48/96/644154896.db2.gz OEBGIYFWHYSRPN-AWEZNQCLSA-N 0 0 386.265 2.441 10 0 GEAERN CCc1nc2n(n1)C[C@@H](N[C@@H](C(=O)OC)c1cccc(Br)c1)CC2 ZINC000158928276 644168439 /nfs/dbraw/zinc/16/84/39/644168439.db2.gz XKWQRXBLASZVSF-XJKSGUPXSA-N 0 0 393.285 2.422 10 0 GEAERN CNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccccc2Br)co1 ZINC000159287438 644185155 /nfs/dbraw/zinc/18/51/55/644185155.db2.gz PTWDYQPRDDEHNV-SECBINFHSA-N 0 0 387.255 2.441 10 0 GEAERN CC(C)n1nnnc1CN1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000161762964 644218984 /nfs/dbraw/zinc/21/89/84/644218984.db2.gz RBSXYVGLUVBVRV-UHFFFAOYSA-N 0 0 397.296 2.473 10 0 GEAERN C[C@H](Cc1ccccc1Br)NC(=O)NC[C@H](C)N1CCOCC1 ZINC000164358815 644263469 /nfs/dbraw/zinc/26/34/69/644263469.db2.gz IKDHTVHZPGSGDF-KGLIPLIRSA-N 0 0 384.318 2.400 10 0 GEAERN CC(=O)N1C[C@H](CO)C2(C1)CCN(C(=O)c1ccc(Br)cc1)CC2 ZINC000169783857 644282890 /nfs/dbraw/zinc/28/28/90/644282890.db2.gz RQOJHRGGTITJHM-OAHLLOKOSA-N 0 0 395.297 2.142 10 0 GEAERN CCCC(=O)N[C@H]1CCCN(S(=O)(=O)c2c(Cl)nc3ccccn32)C1 ZINC000171111091 644311035 /nfs/dbraw/zinc/31/10/35/644311035.db2.gz VNTWIBHCNAJEFF-LBPRGKRZSA-N 0 0 384.889 2.057 10 0 GEAERN Cn1cc([C@H]2CCCN2S(=O)(=O)c2cc3c(cc2Cl)OCCO3)cn1 ZINC000171432138 644321822 /nfs/dbraw/zinc/32/18/22/644321822.db2.gz JNTZZQWYCZUDBL-CYBMUJFWSA-N 0 0 383.857 2.371 10 0 GEAERN Brc1csc(-c2noc(CN3CC[C@H](N4CCOCC4)C3)n2)c1 ZINC000172806500 644344989 /nfs/dbraw/zinc/34/49/89/644344989.db2.gz OPRKNURLDBXQJW-LBPRGKRZSA-N 0 0 399.314 2.467 10 0 GEAERN CCc1nnc([C@@H]2CN(C(=O)c3cc(F)cc(Br)c3)CCO2)[nH]1 ZINC000173093404 644350484 /nfs/dbraw/zinc/35/04/84/644350484.db2.gz HSFVUTUZDJNYCX-LBPRGKRZSA-N 0 0 383.221 2.482 10 0 GEAERN CCc1nnc([C@H]2CN(C(=O)c3ccc(Br)c(F)c3)CCO2)[nH]1 ZINC000173094283 644350934 /nfs/dbraw/zinc/35/09/34/644350934.db2.gz KQNTZDAOIJPXQV-GFCCVEGCSA-N 0 0 383.221 2.482 10 0 GEAERN CCc1nnc([C@H]2CN(C(=O)COc3ccc(Br)cc3)CCO2)[nH]1 ZINC000173094664 644351092 /nfs/dbraw/zinc/35/10/92/644351092.db2.gz DRIXCPHZTRLARA-CYBMUJFWSA-N 0 0 395.257 2.109 10 0 GEAERN CCc1nnc([C@@H]2CN(C(=O)c3cc(Br)ccc3F)CCO2)[nH]1 ZINC000173099083 644351853 /nfs/dbraw/zinc/35/18/53/644351853.db2.gz JFPDSAJFGNRKEI-LBPRGKRZSA-N 0 0 383.221 2.482 10 0 GEAERN COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]2Cn2ccnc2)c1 ZINC000173836576 644362106 /nfs/dbraw/zinc/36/21/06/644362106.db2.gz BZJLGJAUGOICKR-CYBMUJFWSA-N 0 0 383.857 2.176 10 0 GEAERN C[C@@H](OC(=O)c1ccc(Br)c(S(C)(=O)=O)c1)[C@@H]1CCOC1 ZINC000175259022 644387922 /nfs/dbraw/zinc/38/79/22/644387922.db2.gz DORGMQPMSNLGQC-MWLCHTKSSA-N 0 0 377.256 2.434 10 0 GEAERN C[C@@H]1CN=C(N2CCN(C[C@@H](O)COCc3ccc(Cl)cc3)CC2)S1 ZINC000175801341 644394301 /nfs/dbraw/zinc/39/43/01/644394301.db2.gz PEOSZQHDSSPTMW-RHSMWYFYSA-N 0 0 383.945 2.326 10 0 GEAERN Cc1nccn1C[C@H]1CCCN1Cn1nc(N2CCOCC2)sc1=S ZINC000176080878 644397118 /nfs/dbraw/zinc/39/71/18/644397118.db2.gz KFKWTRLXPGDDCU-CQSZACIVSA-N 0 0 380.543 2.138 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)CC2 ZINC000177639864 644421399 /nfs/dbraw/zinc/42/13/99/644421399.db2.gz KBHLANCGZLQPMY-JTQLQIEISA-N 0 0 382.251 2.217 10 0 GEAERN O=C(Nc1cc(Cl)ccc1Cl)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000177652379 644422748 /nfs/dbraw/zinc/42/27/48/644422748.db2.gz VJUXUDOBZIZUAH-LBPRGKRZSA-N 0 0 383.235 2.056 10 0 GEAERN COC(=O)c1cc(Br)c(F)cc1NC(=O)C(=O)N[C@H](C)C(C)C ZINC000184144950 645011522 /nfs/dbraw/zinc/01/15/22/645011522.db2.gz RJKPJPSATKGYPO-MRVPVSSYSA-N 0 0 389.221 2.474 10 0 GEAERN Cn1cc([C@H]2CCN(S(=O)(=O)c3ccc(Br)cc3F)C2)cn1 ZINC000184741909 645025122 /nfs/dbraw/zinc/02/51/22/645025122.db2.gz HKAJYOUKGXFZRI-JTQLQIEISA-N 0 0 388.262 2.500 10 0 GEAERN CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2Br)cn1 ZINC000184751698 645025466 /nfs/dbraw/zinc/02/54/66/645025466.db2.gz XJWRDUPKZXUMML-JTQLQIEISA-N 0 0 398.282 2.243 10 0 GEAERN C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000185151775 645036956 /nfs/dbraw/zinc/03/69/56/645036956.db2.gz ZEJABYIOPURBNC-VHSXEESVSA-N 0 0 376.837 2.035 10 0 GEAERN O=C(NC[C@H](O)CN1CCOCC1)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000186377691 645065754 /nfs/dbraw/zinc/06/57/54/645065754.db2.gz JRHXDRRWMIIACA-ZDUSSCGKSA-N 0 0 381.782 2.173 10 0 GEAERN COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Br)c(C)cc2C)C1 ZINC000188117055 645108904 /nfs/dbraw/zinc/10/89/04/645108904.db2.gz GFRNXQNPUPCGBK-GFCCVEGCSA-N 0 0 397.269 2.416 10 0 GEAERN COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C)cc(Br)c2)C1 ZINC000188117117 645108913 /nfs/dbraw/zinc/10/89/13/645108913.db2.gz RIUVYMWKDNNFRL-LLVKDONJSA-N 0 0 383.242 2.108 10 0 GEAERN CN(C(=O)c1ncc(Br)s1)[C@H]1CCCN(c2cccnn2)C1 ZINC000192426364 645204796 /nfs/dbraw/zinc/20/47/96/645204796.db2.gz MIRKTQISWFSUHQ-JTQLQIEISA-N 0 0 382.287 2.437 10 0 GEAERN C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1cccc(Cl)c1 ZINC000192586266 645212604 /nfs/dbraw/zinc/21/26/04/645212604.db2.gz ZFDLCKAPGZZROK-LLVKDONJSA-N 0 0 377.853 2.083 10 0 GEAERN COCCN(CCOC)S(=O)(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000193274037 645258991 /nfs/dbraw/zinc/25/89/91/645258991.db2.gz JAUBRPQWIBEDCA-NSHDSACASA-N 0 0 385.313 2.484 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000193584653 645287144 /nfs/dbraw/zinc/28/71/44/645287144.db2.gz DBYUIKPTBIUZGO-OCCSQVGLSA-N 0 0 377.242 2.304 10 0 GEAERN CCc1nnc(C[S@@](=O)Cc2cc3c(cc2Br)OCO3)n1C ZINC000194127687 645314042 /nfs/dbraw/zinc/31/40/42/645314042.db2.gz VKEPOSGBAIXGEO-QFIPXVFZSA-N 0 0 386.271 2.318 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)[C@H]1Cc3cc(Br)ccc3O1)CC2 ZINC000194317214 645320968 /nfs/dbraw/zinc/32/09/68/645320968.db2.gz MRDISVNZWRTUHV-GXTWGEPZSA-N 0 0 391.269 2.038 10 0 GEAERN C[C@H]1CN(C(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)C[C@H](C)O1 ZINC000195330476 645371444 /nfs/dbraw/zinc/37/14/44/645371444.db2.gz ODAZGBZEZSSEAX-IUCAKERBSA-N 0 0 394.262 2.241 10 0 GEAERN C[C@H](NC(=O)COc1cccc(I)c1)[C@@H]1CCCO1 ZINC000195345350 645373507 /nfs/dbraw/zinc/37/35/07/645373507.db2.gz UMKOAQRGTQCUCJ-GWCFXTLKSA-N 0 0 375.206 2.354 10 0 GEAERN O=C(c1cc(Br)sc1Br)N1CCO[C@H](CO)C1 ZINC000225971684 645390013 /nfs/dbraw/zinc/39/00/13/645390013.db2.gz VDRDGBLGYQGYSN-LURJTMIESA-N 0 0 385.077 2.106 10 0 GEAERN COC(=O)[C@H]1CN(S(=O)(=O)c2cc(Br)sc2C)C[C@@H]1C ZINC000227812060 645393699 /nfs/dbraw/zinc/39/36/99/645393699.db2.gz XJOWFKZVRCGJSW-CBAPKCEASA-N 0 0 382.301 2.249 10 0 GEAERN C[C@@H]1CN(Cc2cc3c(cc2Br)OCCO3)C[C@H]1N1CCOCC1 ZINC000246365053 645481458 /nfs/dbraw/zinc/48/14/58/645481458.db2.gz HBHIBYBSCFSIKU-CZUORRHYSA-N 0 0 397.313 2.373 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000246605029 645487226 /nfs/dbraw/zinc/48/72/26/645487226.db2.gz URAHCKKYSZKOQO-FVQBIDKESA-N 0 0 386.539 2.241 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000247094062 645504802 /nfs/dbraw/zinc/50/48/02/645504802.db2.gz METHDDKDRHWIRR-CYBMUJFWSA-N 0 0 380.432 2.437 10 0 GEAERN C[C@@H](CS(C)(=O)=O)N(C[C@@H](O)COCc1ccc(Cl)cc1)C1CC1 ZINC000247531754 645512602 /nfs/dbraw/zinc/51/26/02/645512602.db2.gz XOZOZFWSGMJCJG-SUMWQHHRSA-N 0 0 375.918 2.115 10 0 GEAERN CCOCCN1CCN(CC(=O)Nc2ccccc2Br)C[C@H]1C ZINC000247587136 645514702 /nfs/dbraw/zinc/51/47/02/645514702.db2.gz JCZUIGXQWNTWSL-CQSZACIVSA-N 0 0 384.318 2.430 10 0 GEAERN Cc1nnc([C@H]2CN(C[C@@H](O)c3ccc(F)c(Br)c3)CCO2)[nH]1 ZINC000248553711 645531007 /nfs/dbraw/zinc/53/10/07/645531007.db2.gz JRTHAYUQWTXCAE-ZIAGYGMSSA-N 0 0 385.237 2.122 10 0 GEAERN O=S(=O)(c1ccc(Br)cc1F)N1CCN2CCCC[C@H]2C1 ZINC000248561153 645531440 /nfs/dbraw/zinc/53/14/40/645531440.db2.gz FXGZKMIHMGQVIL-LBPRGKRZSA-N 0 0 377.279 2.447 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000252352946 645565503 /nfs/dbraw/zinc/56/55/03/645565503.db2.gz OHNGCPSBWAXOCS-YESZJQIVSA-N 0 0 381.314 2.468 10 0 GEAERN C[C@H]1OCCN[C@@H]1C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000261937373 645613467 /nfs/dbraw/zinc/61/34/67/645613467.db2.gz MKRLJSIOBQCPIG-ZWZTZDBGSA-N 0 0 377.243 2.409 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NS(=O)(=O)c2cc(C)c(F)cc2Cl)C1 ZINC000262485143 645632237 /nfs/dbraw/zinc/63/22/37/645632237.db2.gz TZIQGMVDMNDBRA-UHFFFAOYSA-N 0 0 378.853 2.003 10 0 GEAERN C[N@H+](CC(=O)[O-])C1CCN(CCC(=O)Nc2ccccc2Br)CC1 ZINC000262482880 645632395 /nfs/dbraw/zinc/63/23/95/645632395.db2.gz SOPUEMNWOBNJGU-UHFFFAOYSA-N 0 0 398.301 2.259 10 0 GEAERN C[N@@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cc2F)CCO1 ZINC000263117190 645653637 /nfs/dbraw/zinc/65/36/37/645653637.db2.gz WJTACJIOROGKKC-SECBINFHSA-N 0 0 394.230 2.382 10 0 GEAERN C[N@H+](CC(=O)[O-])C1CCN(Cc2cc(Br)cc3c2OCC3)CC1 ZINC000263503391 645667177 /nfs/dbraw/zinc/66/71/77/645667177.db2.gz LJDPZXFSKFEHEE-UHFFFAOYSA-N 0 0 383.286 2.365 10 0 GEAERN C[C@@H](CN1CCO[C@@H](C[N@H+](C)CC(=O)[O-])C1)c1cccc(Br)c1 ZINC000263533104 645667988 /nfs/dbraw/zinc/66/79/88/645667988.db2.gz XQUGMBDIMJTAMU-BBRMVZONSA-N 0 0 385.302 2.270 10 0 GEAERN Cc1nc(N[C@H](C)c2cccc(Br)c2)sc1S(N)(=O)=O ZINC000380344779 647887557 /nfs/dbraw/zinc/88/75/57/647887557.db2.gz ZGGNENOZWFYUIS-SSDOTTSWSA-N 0 0 376.301 3.035 10 0 GEAERN O=C(N[C@@H]1CCOC[C@@H]1O)c1cc(Br)cc(Br)c1 ZINC000629241119 652482227 /nfs/dbraw/zinc/48/22/27/652482227.db2.gz FNJNPPXQCUGFBT-MNOVXSKESA-N 0 0 379.048 2.091 10 0 GEAERN CC(=O)NC1CN(c2ncc(C(F)(F)F)cc2I)C1 ZINC000601153466 652956922 /nfs/dbraw/zinc/95/69/22/652956922.db2.gz OJURVMKPWKLNNR-UHFFFAOYSA-N 0 0 385.127 2.030 10 0 GEAERN O[C@@]1(Cc2nc(C3CC3)no2)CCCN(Cc2nc(Br)c[nH]2)C1 ZINC000895044723 653814346 /nfs/dbraw/zinc/81/43/46/653814346.db2.gz PUQMBIMRLUSHAF-OAHLLOKOSA-N 0 0 382.262 2.002 10 0 GEAERN C[C@H]1CC[C@H](C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)O1 ZINC000151498699 531506614 /nfs/dbraw/zinc/50/66/14/531506614.db2.gz PQEXAGKXCGFIEJ-SWLSCSKDSA-N 0 0 381.270 2.301 10 0 GEAERN O=C(c1ccncc1Br)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000152847150 531575534 /nfs/dbraw/zinc/57/55/34/531575534.db2.gz PIPHDFSQCNIZCN-QGZVFWFLSA-N 0 0 390.281 2.336 10 0 GEAERN NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(Br)s1 ZINC000025903707 531615129 /nfs/dbraw/zinc/61/51/29/531615129.db2.gz XERNNONIHBDFNI-LBPRGKRZSA-N 0 0 382.283 2.406 10 0 GEAERN O=C(NCCNC(=O)c1ccc(Br)cc1)NC[C@@H]1CCCC[C@@H]1O ZINC000153946111 531613847 /nfs/dbraw/zinc/61/38/47/531613847.db2.gz HTUQQHSUGILCCB-ZFWWWQNUSA-N 0 0 398.301 2.029 10 0 GEAERN C[C@@H](CNC(=O)N(C)Cc1cc(Br)cs1)N1CCOCC1 ZINC000046262483 531701653 /nfs/dbraw/zinc/70/16/53/531701653.db2.gz UQSMGWKUIUDRHV-NSHDSACASA-N 0 0 376.320 2.373 10 0 GEAERN C[C@H](CNC(=O)N[C@@H](C)Cc1ccc(Br)cc1)N1CCOCC1 ZINC000049130815 531734481 /nfs/dbraw/zinc/73/44/81/531734481.db2.gz ALDAZBLRZAUBFQ-UONOGXRCSA-N 0 0 384.318 2.400 10 0 GEAERN C[C@@H]1CC[C@H](C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)O1 ZINC000157547404 531746095 /nfs/dbraw/zinc/74/60/95/531746095.db2.gz JZJQCTQXHXGZPQ-UKRRQHHQSA-N 0 0 386.539 2.149 10 0 GEAERN Cc1nnc([C@H]2CN(C(=O)Cc3ccc(Br)c(F)c3)CCO2)[nH]1 ZINC000157571555 531747571 /nfs/dbraw/zinc/74/75/71/531747571.db2.gz VBYVAJIMCGEMFH-CYBMUJFWSA-N 0 0 383.221 2.157 10 0 GEAERN CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000162251475 531838996 /nfs/dbraw/zinc/83/89/96/531838996.db2.gz SVHXUSLPOVOSAV-GXTWGEPZSA-N 0 0 378.274 2.254 10 0 GEAERN CCc1nc2n(n1)CCC[C@H]2N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000162251595 531840319 /nfs/dbraw/zinc/84/03/19/531840319.db2.gz SVHXUSLPOVOSAV-TZMCWYRMSA-N 0 0 378.274 2.254 10 0 GEAERN COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000162751485 531849671 /nfs/dbraw/zinc/84/96/71/531849671.db2.gz SSPPGSJOJGWOOH-NSHDSACASA-N 0 0 378.734 2.461 10 0 GEAERN CC(C)[C@@H](O)CC(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000162885177 531853555 /nfs/dbraw/zinc/85/35/55/531853555.db2.gz RWLZOACYGGRIGO-INIZCTEOSA-N 0 0 385.302 2.309 10 0 GEAERN COC(=O)[C@H]1CCCCN1C(=O)C(=O)Nc1c(F)cccc1Br ZINC000163580626 531861154 /nfs/dbraw/zinc/86/11/54/531861154.db2.gz YCTOSIKCTBKKCS-LLVKDONJSA-N 0 0 387.205 2.081 10 0 GEAERN COC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1c(F)cccc1Br ZINC000163580523 531861281 /nfs/dbraw/zinc/86/12/81/531861281.db2.gz YCTOSIKCTBKKCS-NSHDSACASA-N 0 0 387.205 2.081 10 0 GEAERN COC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(Br)cc1F ZINC000163571069 531861288 /nfs/dbraw/zinc/86/12/88/531861288.db2.gz DHWLKJIGAZIQOU-LBPRGKRZSA-N 0 0 387.205 2.081 10 0 GEAERN COC(=O)[C@H]1C[C@H]1C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000170756754 531892984 /nfs/dbraw/zinc/89/29/84/531892984.db2.gz QLNWNWVXBJKOIB-OLZOCXBDSA-N 0 0 378.226 2.442 10 0 GEAERN O=C(CN1CCO[C@@H](c2nccs2)C1)NCCOc1cccc(Cl)c1 ZINC000171663188 531909868 /nfs/dbraw/zinc/90/98/68/531909868.db2.gz SGHIQYSCGVCCEW-OAHLLOKOSA-N 0 0 381.885 2.365 10 0 GEAERN O=S(=O)(c1ccc(CN2CCO[C@@H](c3nccs3)C2)o1)N1CCCC1 ZINC000171663736 531910052 /nfs/dbraw/zinc/91/00/52/531910052.db2.gz HGZPJFMYHXEEKR-CQSZACIVSA-N 0 0 383.495 2.094 10 0 GEAERN O=C(c1ccc(I)cc1)N1CCC[C@@H](n2cncn2)C1 ZINC000171664700 531910078 /nfs/dbraw/zinc/91/00/78/531910078.db2.gz WSQVEJADTWHOOU-CYBMUJFWSA-N 0 0 382.205 2.360 10 0 GEAERN CCc1nc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cs1 ZINC000171822136 531918587 /nfs/dbraw/zinc/91/85/87/531918587.db2.gz XGJFETQYXBOJDG-WDEREUQCSA-N 0 0 382.511 2.474 10 0 GEAERN C[C@@H](NC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)c1cccs1 ZINC000171849153 531920954 /nfs/dbraw/zinc/92/09/54/531920954.db2.gz QJNDVHZKWWBCMX-SNVBAGLBSA-N 0 0 381.470 2.373 10 0 GEAERN CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2CCCO2)s1 ZINC000093907567 531928118 /nfs/dbraw/zinc/92/81/18/531928118.db2.gz AOWILTVNCDQJAA-ZFWWWQNUSA-N 0 0 388.555 2.299 10 0 GEAERN Cc1cnn(C[C@@H]2CN(C(=O)COc3ccc(Br)cc3)CCO2)c1 ZINC000112067629 531944626 /nfs/dbraw/zinc/94/46/26/531944626.db2.gz UINUUAAZJYGVHG-INIZCTEOSA-N 0 0 394.269 2.260 10 0 GEAERN CCc1noc([C@@H](C)N2CCN(c3nc(Cl)c(C(=O)OC)s3)CC2)n1 ZINC000112086324 531945036 /nfs/dbraw/zinc/94/50/36/531945036.db2.gz KCKZNXRXCNSOQJ-SECBINFHSA-N 0 0 385.877 2.412 10 0 GEAERN Cc1cnn(C[C@H]2CN(C(=O)c3cc(Br)ccc3O)CCO2)c1 ZINC000112117851 531945216 /nfs/dbraw/zinc/94/52/16/531945216.db2.gz QRELBPYVZFLFGG-CYBMUJFWSA-N 0 0 380.242 2.201 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)NCCc1ccc(Br)cc1)CC2 ZINC000172337922 531947847 /nfs/dbraw/zinc/94/78/47/531947847.db2.gz UUFVSGYVWIWARA-CQSZACIVSA-N 0 0 392.301 2.460 10 0 GEAERN C[C@@](O)(CNC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21)c1ccsc1 ZINC000172597904 531959943 /nfs/dbraw/zinc/95/99/43/531959943.db2.gz WCBOYOLKCYKGNT-RHSMWYFYSA-N 0 0 380.491 2.174 10 0 GEAERN O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113894170 531952696 /nfs/dbraw/zinc/95/26/96/531952696.db2.gz YBYOLMGZTOJXDG-NSHDSACASA-N 0 0 388.902 2.157 10 0 GEAERN C[C@H](Oc1ccccc1Br)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000172758933 531967487 /nfs/dbraw/zinc/96/74/87/531967487.db2.gz WCWSCVIQQBHPBE-UONOGXRCSA-N 0 0 383.286 2.150 10 0 GEAERN O=C(c1cc2c(cccc2Br)[nH]1)N1CC[C@H](N2CCOCC2)C1 ZINC000172755911 531967597 /nfs/dbraw/zinc/96/75/97/531967597.db2.gz UARHWYORPCXRJI-LBPRGKRZSA-N 0 0 378.270 2.477 10 0 GEAERN COc1ccc(C(=O)N[C@H]2CCCn3ncnc32)cc1I ZINC000120244701 531979058 /nfs/dbraw/zinc/97/90/58/531979058.db2.gz BWXAWOKDBVJAKI-NSHDSACASA-N 0 0 398.204 2.156 10 0 GEAERN CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000120626736 531985335 /nfs/dbraw/zinc/98/53/35/531985335.db2.gz KIWNODGXQWLZFQ-GJZGRUSLSA-N 0 0 386.901 2.374 10 0 GEAERN CN1CCO[C@@H](CNC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000173337953 532005667 /nfs/dbraw/zinc/00/56/67/532005667.db2.gz KUBOHCVJIRJJCM-NSHDSACASA-N 0 0 380.798 2.003 10 0 GEAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(Br)c[nH]2)ncn1 ZINC000173424764 532009687 /nfs/dbraw/zinc/00/96/87/532009687.db2.gz OCODCOGGTCFBHV-NSHDSACASA-N 0 0 379.262 2.008 10 0 GEAERN CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2c(C)cc(Br)cc2C)C1 ZINC000121284565 532021439 /nfs/dbraw/zinc/02/14/39/532021439.db2.gz PMDNIJLLYAKGEO-AWEZNQCLSA-N 0 0 396.285 2.132 10 0 GEAERN Cc1cc(Br)ccc1NC(=O)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000173689142 532026390 /nfs/dbraw/zinc/02/63/90/532026390.db2.gz JGPWCBRKWIYCRF-ZDUSSCGKSA-N 0 0 392.257 2.151 10 0 GEAERN Cc1nnc([C@@H]2CN(S(=O)(=O)c3c(Cl)cccc3Cl)CCO2)[nH]1 ZINC000173734245 532028457 /nfs/dbraw/zinc/02/84/57/532028457.db2.gz JQBVSBZRUJXYFT-NSHDSACASA-N 0 0 377.253 2.182 10 0 GEAERN Cc1csc([C@@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)C2)n1 ZINC000173720248 532028627 /nfs/dbraw/zinc/02/86/27/532028627.db2.gz MPAZBXDERZVYFX-LLVKDONJSA-N 0 0 378.479 2.189 10 0 GEAERN C[C@@H](Cc1ccc(Br)cc1)NC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173788544 532034450 /nfs/dbraw/zinc/03/44/50/532034450.db2.gz UOSKOERVXOUQPN-YOEHRIQHSA-N 0 0 396.329 2.496 10 0 GEAERN COc1ccc(Br)c(C(=O)N2C[C@@H](C)[C@H](N3CCOCC3)C2)c1 ZINC000173818834 532034961 /nfs/dbraw/zinc/03/49/61/532034961.db2.gz LAIGYXTTZQTISF-MLGOLLRUSA-N 0 0 383.286 2.250 10 0 GEAERN C[C@@H]1CN(C(=O)Cc2ccc(F)c(Br)c2)C[C@H]1N1CCOCC1 ZINC000173813229 532035166 /nfs/dbraw/zinc/03/51/66/532035166.db2.gz HHUUECFHQCBZOG-MLGOLLRUSA-N 0 0 385.277 2.310 10 0 GEAERN C[C@@H](CNC(=O)NCc1cc(Cl)ccc1OC(F)F)N1CCOCC1 ZINC000173825272 532035356 /nfs/dbraw/zinc/03/53/56/532035356.db2.gz FLQIFQHXEGDLLH-NSHDSACASA-N 0 0 377.819 2.461 10 0 GEAERN Cc1nc(CN2CCCN(S(=O)(=O)c3ccc(Cl)cc3C)CC2)no1 ZINC000173825399 532035735 /nfs/dbraw/zinc/03/57/35/532035735.db2.gz XVGDUVXGNUCPGM-UHFFFAOYSA-N 0 0 384.889 2.236 10 0 GEAERN Cc1nnc([C@@H]2CN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CCO2)[nH]1 ZINC000173838026 532036965 /nfs/dbraw/zinc/03/69/65/532036965.db2.gz DIODDLHFLNRRRT-ZDUSSCGKSA-N 0 0 391.280 2.323 10 0 GEAERN COCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000121707271 532041887 /nfs/dbraw/zinc/04/18/87/532041887.db2.gz ZOJXMCSQZUKZCB-OCCSQVGLSA-N 0 0 385.251 2.416 10 0 GEAERN Brc1ccc(-c2noc(CN3CC[C@@H](N4CCOCC4)C3)n2)s1 ZINC000173906623 532042375 /nfs/dbraw/zinc/04/23/75/532042375.db2.gz OSOPBWVKVRQESL-LLVKDONJSA-N 0 0 399.314 2.467 10 0 GEAERN C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1nnc2n1CCCC2 ZINC000121777388 532046776 /nfs/dbraw/zinc/04/67/76/532046776.db2.gz DQXPHSLQKCMBIO-SNVBAGLBSA-N 0 0 385.287 2.416 10 0 GEAERN C[NH+](C)C[C@@H]1CN(C(=O)c2cc(Br)cc(Cl)c2[O-])CCO1 ZINC000174339841 532062034 /nfs/dbraw/zinc/06/20/34/532062034.db2.gz QJWMSQRJJLQZGQ-SNVBAGLBSA-N 0 0 377.666 2.211 10 0 GEAERN COc1cc(Cl)c(S(=O)(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cc1Cl ZINC000122435803 532069295 /nfs/dbraw/zinc/06/92/95/532069295.db2.gz VKKMBILUHBIGQG-GHMZBOCLSA-N 0 0 397.324 2.078 10 0 GEAERN CCc1nnc([C@H]2CN(S(=O)(=O)c3ccc(C(C)(C)C)s3)CCO2)[nH]1 ZINC000122429702 532070460 /nfs/dbraw/zinc/07/04/60/532070460.db2.gz YXOJATUSLNRELL-LLVKDONJSA-N 0 0 384.527 2.488 10 0 GEAERN CCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@H](CCO)C1 ZINC000122834120 532083841 /nfs/dbraw/zinc/08/38/41/532083841.db2.gz JAPBCWQTZURSSG-LLVKDONJSA-N 0 0 378.288 2.241 10 0 GEAERN Cc1cc(N2CCC[C@@H](NC(=O)c3cccc(Br)c3)C2=O)n(C)n1 ZINC000174973177 532085823 /nfs/dbraw/zinc/08/58/23/532085823.db2.gz SEBOKGFSYKLPNR-CQSZACIVSA-N 0 0 391.269 2.416 10 0 GEAERN Cc1cc(N2CCC[C@H](NC(=O)c3ccc(Br)o3)C2=O)n(C)n1 ZINC000175019869 532087198 /nfs/dbraw/zinc/08/71/98/532087198.db2.gz APKYAVQVSBDIFI-JTQLQIEISA-N 0 0 381.230 2.009 10 0 GEAERN COC(=O)N[C@@H](C(=O)Nc1ncc(I)cc1C)C(C)C ZINC000175408521 532102450 /nfs/dbraw/zinc/10/24/50/532102450.db2.gz SLOLTSNYXLQHSN-SNVBAGLBSA-N 0 0 391.209 2.314 10 0 GEAERN COC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2I)C1 ZINC000123671168 532105216 /nfs/dbraw/zinc/10/52/16/532105216.db2.gz NECNDNOWMOXQJZ-GFCCVEGCSA-N 0 0 387.217 2.245 10 0 GEAERN C[C@H](NC(=O)NCCNS(=O)(=O)c1cccnc1)c1ccc(Cl)s1 ZINC000123906522 532110959 /nfs/dbraw/zinc/11/09/59/532110959.db2.gz HBRLSPJKMYINGI-JTQLQIEISA-N 0 0 388.902 2.135 10 0 GEAERN COCCn1ccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2Br)n1 ZINC000123493289 532100716 /nfs/dbraw/zinc/10/07/16/532100716.db2.gz SSCQZOGDGBLZAW-NSHDSACASA-N 0 0 395.257 2.108 10 0 GEAERN O=C(NCCNC(=O)c1ccc(Br)cc1)N[C@@H]1CCCC[C@@H]1CO ZINC000175990276 532122230 /nfs/dbraw/zinc/12/22/30/532122230.db2.gz PJJMBRPSGSYHOB-UKRRQHHQSA-N 0 0 398.301 2.029 10 0 GEAERN O=C(Cc1cccc(I)c1)N[C@H]1CCCn2ncnc21 ZINC000124613763 532125565 /nfs/dbraw/zinc/12/55/65/532125565.db2.gz NSZGPDJQSSCLBU-LBPRGKRZSA-N 0 0 382.205 2.077 10 0 GEAERN O=C(CCN1CCO[C@H](Cn2cccn2)C1)Nc1cccc(Br)c1 ZINC000124639338 532126513 /nfs/dbraw/zinc/12/65/13/532126513.db2.gz VDBMWUINGFDDOX-INIZCTEOSA-N 0 0 393.285 2.375 10 0 GEAERN CSc1ccc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)cc1Cl ZINC000176869686 532152692 /nfs/dbraw/zinc/15/26/92/532152692.db2.gz IPWOQIPASNXSLP-LBPRGKRZSA-N 0 0 379.873 2.456 10 0 GEAERN CC(C)n1nnnc1C[S@](=O)Cc1cn2cc(Br)ccc2n1 ZINC000176555642 532140652 /nfs/dbraw/zinc/14/06/52/532140652.db2.gz RGYSBWWFOZGEBH-JOCHJYFZSA-N 0 0 383.275 2.113 10 0 GEAERN CC(C)n1nnnc1C[S@](=O)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000176571033 532141578 /nfs/dbraw/zinc/14/15/78/532141578.db2.gz RWPROBOJRXPXCN-VWLOTQADSA-N 0 0 375.376 2.160 10 0 GEAERN CC(C)n1nnnc1C[S@](=O)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000176576953 532142155 /nfs/dbraw/zinc/14/21/55/532142155.db2.gz PCPHHTYTAPZOEK-QHCPKHFHSA-N 0 0 376.269 2.448 10 0 GEAERN Cn1cc([C@@H]2CCN(C(=O)C(=O)Nc3cc(Br)ccc3F)C2)cn1 ZINC000126092503 532145336 /nfs/dbraw/zinc/14/53/36/532145336.db2.gz XANJTFVHUPBZEI-SNVBAGLBSA-N 0 0 395.232 2.276 10 0 GEAERN CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccc(C)c(F)c2)c1 ZINC000176710128 532146794 /nfs/dbraw/zinc/14/67/94/532146794.db2.gz UGYRTHHKYIPJKV-LBPRGKRZSA-N 0 0 386.470 2.082 10 0 GEAERN CC(=O)N[C@@H]1CCCN([C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)C1 ZINC000128752112 532167639 /nfs/dbraw/zinc/16/76/39/532167639.db2.gz IXIQDHWQDDTLHD-BXUZGUMPSA-N 0 0 384.263 2.226 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000177005414 532158645 /nfs/dbraw/zinc/15/86/45/532158645.db2.gz UFWWQUAUBMMTHZ-GFCCVEGCSA-N 0 0 376.360 2.299 10 0 GEAERN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cc(Br)ccc1F ZINC000177002117 532158893 /nfs/dbraw/zinc/15/88/93/532158893.db2.gz DKOVVSGMEBWTFF-LLVKDONJSA-N 0 0 389.250 2.302 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C)nc1Br ZINC000127955764 532159600 /nfs/dbraw/zinc/15/96/00/532159600.db2.gz VNGVMDWICDEZLK-GFCCVEGCSA-N 0 0 390.303 2.295 10 0 GEAERN COc1cc(NC(=O)N2CCO[C@@H](c3nnc(C)[nH]3)C2)ccc1Br ZINC000177126554 532162228 /nfs/dbraw/zinc/16/22/28/532162228.db2.gz HRDOGXDZEUHUFK-CYBMUJFWSA-N 0 0 396.245 2.490 10 0 GEAERN COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000177136541 532162246 /nfs/dbraw/zinc/16/22/46/532162246.db2.gz WJZILESMWSONPW-LLVKDONJSA-N 0 0 383.242 2.108 10 0 GEAERN CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)CC2 ZINC000177637658 532177842 /nfs/dbraw/zinc/17/78/42/532177842.db2.gz PKISOJIVUUZMDR-NSHDSACASA-N 0 0 382.251 2.217 10 0 GEAERN C[C@@H]1CN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)CCS1 ZINC000177718708 532180648 /nfs/dbraw/zinc/18/06/48/532180648.db2.gz XWTOFTUZLFUSLF-SECBINFHSA-N 0 0 387.274 2.441 10 0 GEAERN C[C@@H](NC(=O)c1c(F)c(F)cc(F)c1F)c1ccc(S(N)(=O)=O)cc1 ZINC000177470913 532172269 /nfs/dbraw/zinc/17/22/69/532172269.db2.gz HRDCVVOEYZTEKT-SSDOTTSWSA-N 0 0 376.331 2.381 10 0 GEAERN Cc1nn(C)c(Cl)c1S(=O)(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000177584517 532176849 /nfs/dbraw/zinc/17/68/49/532176849.db2.gz NAXNNYVKXPZVCL-UHFFFAOYSA-N 0 0 385.877 2.390 10 0 GEAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000178182104 532196255 /nfs/dbraw/zinc/19/62/55/532196255.db2.gz VHYFFCZKLKYVGH-KBPBESRZSA-N 0 0 394.273 2.217 10 0 GEAERN C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000131881630 532205394 /nfs/dbraw/zinc/20/53/94/532205394.db2.gz MTOBBEDGAFTIAY-MFKMUULPSA-N 0 0 377.242 2.157 10 0 GEAERN Cc1ccc([C@H](CNC(=O)NCCc2nccs2)N2CCOCC2)s1 ZINC000178621463 532207179 /nfs/dbraw/zinc/20/71/79/532207179.db2.gz UYMODUFYSBGYMZ-AWEZNQCLSA-N 0 0 380.539 2.428 10 0 GEAERN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C[C@H](O)CN1CCCC1=O ZINC000178776350 532212123 /nfs/dbraw/zinc/21/21/23/532212123.db2.gz VJAUDDTZPHJKSA-LBPRGKRZSA-N 0 0 388.295 2.237 10 0 GEAERN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2C)C1 ZINC000133307082 532231839 /nfs/dbraw/zinc/23/18/39/532231839.db2.gz SELXZDZOAZFWHS-LLVKDONJSA-N 0 0 376.272 2.331 10 0 GEAERN C[C@@H](NC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1)[C@@H]1CCCO1 ZINC000179816327 532245420 /nfs/dbraw/zinc/24/54/20/532245420.db2.gz KPKBXALKIOIEME-HQJQHLMTSA-N 0 0 377.185 2.350 10 0 GEAERN COc1cc(Br)c(CN2CCO[C@H](c3nnc(C)[nH]3)C2)c(OC)c1 ZINC000180107434 532257646 /nfs/dbraw/zinc/25/76/46/532257646.db2.gz WCXGPAAOZVEEFD-HNNXBMFYSA-N 0 0 397.273 2.466 10 0 GEAERN C[C@@H]1CN(Cc2cc(Br)c3c(c2)OCCO3)C[C@@H]1N1CCOCC1 ZINC000180228032 532261970 /nfs/dbraw/zinc/26/19/70/532261970.db2.gz OARLIYDHWBIPEB-CJNGLKHVSA-N 0 0 397.313 2.373 10 0 GEAERN Cc1noc([C@H](C)N2CCN(S(=O)(=O)c3cccc(C)c3Cl)CC2)n1 ZINC000180286323 532265203 /nfs/dbraw/zinc/26/52/03/532265203.db2.gz ZNMHGNSSTHLJCD-LBPRGKRZSA-N 0 0 384.889 2.407 10 0 GEAERN CN(c1cccnn1)C1CCN(C(=O)c2cccnc2Br)CC1 ZINC000135388695 532272354 /nfs/dbraw/zinc/27/23/54/532272354.db2.gz LFUQJMGIHYTBCK-UHFFFAOYSA-N 0 0 376.258 2.375 10 0 GEAERN CN1CCO[C@H](CNC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)C1 ZINC000135154937 532268190 /nfs/dbraw/zinc/26/81/90/532268190.db2.gz LJQFVJRWEFZGCS-IAGOWNOFSA-N 0 0 396.329 2.033 10 0 GEAERN CCc1noc([C@H](C)N2CCN(C(=O)c3cccnc3Br)CC2)n1 ZINC000135498760 532274623 /nfs/dbraw/zinc/27/46/23/532274623.db2.gz IBJQRENIGZIJAP-NSHDSACASA-N 0 0 394.273 2.309 10 0 GEAERN O=S(=O)(c1ccc(Cl)nc1Cl)N1CCC[C@H](Cn2cncn2)C1 ZINC000180971300 532287134 /nfs/dbraw/zinc/28/71/34/532287134.db2.gz AKXPLDHATPWEGF-SNVBAGLBSA-N 0 0 376.269 2.081 10 0 GEAERN Cc1cccc(S(=O)(=O)N2CCC[C@H](Cn3cncn3)C2)c1Br ZINC000180970229 532287391 /nfs/dbraw/zinc/28/73/91/532287391.db2.gz HMMWKWVYTAICEA-CYBMUJFWSA-N 0 0 399.314 2.450 10 0 GEAERN CCCC(=O)N[C@@H]1CCCN(C(=O)c2ccc(OC)c(Br)n2)C1 ZINC000180989459 532287596 /nfs/dbraw/zinc/28/75/96/532287596.db2.gz PYOBKTWQGZQHBQ-LLVKDONJSA-N 0 0 384.274 2.374 10 0 GEAERN CN(C(=O)c1cccc(Br)n1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000180535597 532274440 /nfs/dbraw/zinc/27/44/40/532274440.db2.gz OGXRPSYMEPRIKR-GFCCVEGCSA-N 0 0 376.258 2.375 10 0 GEAERN C[C@@H](NCC(=O)N1CCC2(CC1)OCCO2)c1ccccc1Br ZINC000181571168 532302462 /nfs/dbraw/zinc/30/24/62/532302462.db2.gz MDXZQSLRCIEOBI-CYBMUJFWSA-N 0 0 383.286 2.465 10 0 GEAERN Cc1cc(Br)cc([C@@H]2NC(=O)[C@H]3COCCN32)c1OC(F)F ZINC000182074687 532308892 /nfs/dbraw/zinc/30/88/92/532308892.db2.gz MMUPNKSVUYNRDI-ZYHUDNBSSA-N 0 0 377.185 2.188 10 0 GEAERN Cc1cc(NC(=O)N2CCO[C@H](Cn3cccn3)C2)cnc1Br ZINC000182415748 532312871 /nfs/dbraw/zinc/31/28/71/532312871.db2.gz SQHSBTGBWBSZET-ZDUSSCGKSA-N 0 0 380.246 2.282 10 0 GEAERN Cc1csc([C@H](C)CNC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000182802372 532317696 /nfs/dbraw/zinc/31/76/96/532317696.db2.gz KJAJNGLNQVTOEP-PWSUYJOCSA-N 0 0 382.511 2.263 10 0 GEAERN Cc1cc(NC(=O)C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cnc1Br ZINC000182839363 532318721 /nfs/dbraw/zinc/31/87/21/532318721.db2.gz NTPAENJPYOSQNJ-PXAZEXFGSA-N 0 0 396.285 2.245 10 0 GEAERN O=C(NCCCF)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000183306027 532323309 /nfs/dbraw/zinc/32/33/09/532323309.db2.gz SUJAGIZFTPFXOL-OAHLLOKOSA-N 0 0 382.482 2.340 10 0 GEAERN COCC(=O)NC1CN(C(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)C1 ZINC000185216700 532337255 /nfs/dbraw/zinc/33/72/55/532337255.db2.gz KVPNSWLXJBRYHF-VIFPVBQESA-N 0 0 377.293 2.447 10 0 GEAERN COCCN1CCN(S(=O)(=O)c2ccc(SC)c(Cl)c2)C[C@H]1C ZINC000185654006 532338279 /nfs/dbraw/zinc/33/82/79/532338279.db2.gz ROBRQCZGANTQGE-GFCCVEGCSA-N 0 0 378.947 2.403 10 0 GEAERN COCCN1CCN(S(=O)(=O)c2ccc(SC)c(Cl)c2)C[C@@H]1C ZINC000185654024 532338382 /nfs/dbraw/zinc/33/83/82/532338382.db2.gz ROBRQCZGANTQGE-LBPRGKRZSA-N 0 0 378.947 2.403 10 0 GEAERN CSc1ccc(S(=O)(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cc1Cl ZINC000185778960 532338716 /nfs/dbraw/zinc/33/87/16/532338716.db2.gz ONGQNUCKZSFWPO-VXGBXAGGSA-N 0 0 378.947 2.138 10 0 GEAERN CC(C)C(=O)CNS(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000185930521 532339223 /nfs/dbraw/zinc/33/92/23/532339223.db2.gz FHGDIODTTUTLKL-HNNXBMFYSA-N 0 0 386.901 2.089 10 0 GEAERN Cn1nc(Br)c2c1ncnc2N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000186140539 532339984 /nfs/dbraw/zinc/33/99/84/532339984.db2.gz LYQTWEKRSUCGDH-QWRGUYRKSA-N 0 0 394.298 2.400 10 0 GEAERN C[C@@H](Cc1cccc(Br)c1)NC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000186535296 532341065 /nfs/dbraw/zinc/34/10/65/532341065.db2.gz IWHSISGDLDHGBL-NSHDSACASA-N 0 0 380.286 2.300 10 0 GEAERN C[C@@H](CNC(=O)NOCc1ccc(F)cc1Br)N1CCOCC1 ZINC000187133485 532343301 /nfs/dbraw/zinc/34/33/01/532343301.db2.gz ZPIMJTRUDJSQBW-NSHDSACASA-N 0 0 390.253 2.040 10 0 GEAERN Cc1noc([C@@H]2COCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000183747864 532328976 /nfs/dbraw/zinc/32/89/76/532328976.db2.gz LYDZPVVEIGSUPH-LBPRGKRZSA-N 0 0 377.344 2.159 10 0 GEAERN Cc1nnc([C@H]2CN(S(=O)(=O)c3ccc(Cl)c(F)c3Cl)CCO2)[nH]1 ZINC000188062684 532346449 /nfs/dbraw/zinc/34/64/49/532346449.db2.gz HLLRJBSCYXWLLS-SECBINFHSA-N 0 0 395.243 2.321 10 0 GEAERN CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cc(Br)c(C)cc2C)C1 ZINC000188070606 532346466 /nfs/dbraw/zinc/34/64/66/532346466.db2.gz AYOCYXVMROEDKY-CYBMUJFWSA-N 0 0 396.285 2.132 10 0 GEAERN CCc1nnc([C@H]2CN(S(=O)(=O)c3cc(C)c(Cl)s3)CCO2)[nH]1 ZINC000188062743 532346472 /nfs/dbraw/zinc/34/64/72/532346472.db2.gz KGSKTELLRQEWJN-SECBINFHSA-N 0 0 376.891 2.153 10 0 GEAERN CCc1nnc([C@H]2CN(C(=O)Cc3ccc(F)cc3Br)CCO2)[nH]1 ZINC000188178458 532347213 /nfs/dbraw/zinc/34/72/13/532347213.db2.gz AATBXLVJZQZOCR-CYBMUJFWSA-N 0 0 397.248 2.411 10 0 GEAERN COC(=O)[C@@]1(C)CCCN1S(=O)(=O)c1ccc(Br)c(C)c1 ZINC000188205802 532347304 /nfs/dbraw/zinc/34/73/04/532347304.db2.gz BLDITWCLJRXACD-CQSZACIVSA-N 0 0 376.272 2.474 10 0 GEAERN C[C@H]1C(=O)NCCCN1C(=O)c1ccc(I)cc1Cl ZINC000188949399 532350456 /nfs/dbraw/zinc/35/04/56/532350456.db2.gz BLBZPOSWJYGDBX-QMMMGPOBSA-N 0 0 392.624 2.295 10 0 GEAERN CCN(C[C@@H](O)C(F)(F)F)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000190082176 532354865 /nfs/dbraw/zinc/35/48/65/532354865.db2.gz ROKQBVLHPVTOBF-GXFFZTMASA-N 0 0 382.404 2.106 10 0 GEAERN Cc1cccc(CNC(=O)N2CC[C@H](N3CCOCC3)C2)c1Br ZINC000190494804 532356364 /nfs/dbraw/zinc/35/63/64/532356364.db2.gz UVAPAROMIURSGY-HNNXBMFYSA-N 0 0 382.302 2.374 10 0 GEAERN C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)C[C@@H](C)O1 ZINC000190775855 532357942 /nfs/dbraw/zinc/35/79/42/532357942.db2.gz GQGZNNCCFHKJRX-HTQZYQBOSA-N 0 0 377.185 2.302 10 0 GEAERN CCn1cc([C@H]2CN(C(=O)Nc3nnc(C(F)(F)F)s3)CCO2)cn1 ZINC000191969955 532377120 /nfs/dbraw/zinc/37/71/20/532377120.db2.gz PHYUMIXXHPZGNJ-SECBINFHSA-N 0 0 376.364 2.379 10 0 GEAERN C[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1cccs1 ZINC000192758081 532409077 /nfs/dbraw/zinc/40/90/77/532409077.db2.gz HNPDGHXJZFRVIQ-NSHDSACASA-N 0 0 386.520 2.228 10 0 GEAERN CCOC(=O)[C@@H](NS(=O)(=O)c1c(C)nn(C)c1C)c1ccc(Cl)cc1 ZINC000192990889 532414578 /nfs/dbraw/zinc/41/45/78/532414578.db2.gz IOCVPUHOKXJDIT-AWEZNQCLSA-N 0 0 385.873 2.273 10 0 GEAERN CNc1cc(N2CCC[C@H]2CNC(=O)c2ncccc2Br)ncn1 ZINC000193386699 532424281 /nfs/dbraw/zinc/42/42/81/532424281.db2.gz OLMUPZCBJGCMKQ-NSHDSACASA-N 0 0 391.273 2.075 10 0 GEAERN C[C@@H](NC(=O)CCN1CCCS1(=O)=O)c1cccc(Br)c1 ZINC000194160729 532441791 /nfs/dbraw/zinc/44/17/91/532441791.db2.gz HYOWCMMLHSKQDX-LLVKDONJSA-N 0 0 375.288 2.052 10 0 GEAERN Cc1cc(C)n2c(nnc2S(=O)(=O)Cc2cn3cc(Cl)ccc3n2)n1 ZINC000195081519 532467905 /nfs/dbraw/zinc/46/79/05/532467905.db2.gz IQCTYRWCGCYTPN-UHFFFAOYSA-N 0 0 376.829 2.016 10 0 GEAERN [O-]c1c(Br)cc(C[NH2+][C@@H]2CCOC[C@@H]2O)cc1Br ZINC000628467537 532469725 /nfs/dbraw/zinc/46/97/25/532469725.db2.gz XVGOFUVWKLFBER-MNOVXSKESA-N 0 0 381.064 2.157 10 0 GEAERN CCn1c(-c2cc(Br)ccc2OC)nc2c1c(=O)[nH]c(=O)n2CC ZINC000195512140 532479864 /nfs/dbraw/zinc/47/98/64/532479864.db2.gz DEQCLDYVMKFEAB-UHFFFAOYSA-N 0 0 393.241 2.364 10 0 GEAERN O=C(c1cccs1)N1CCC[C@@H](CS(=O)(=O)NCc2ccccn2)C1 ZINC000521396669 532512413 /nfs/dbraw/zinc/51/24/13/532512413.db2.gz IRVLGCFDNYGJCF-CQSZACIVSA-N 0 0 379.507 2.115 10 0 GEAERN Cc1nnc([C@@H]2CN([C@H](C)C(=O)Nc3cccc(Br)c3)CCO2)[nH]1 ZINC000246225926 532533983 /nfs/dbraw/zinc/53/39/83/532533983.db2.gz RDTBDRLSSGDGHL-YGRLFVJLSA-N 0 0 394.273 2.276 10 0 GEAERN C[C@@H]1CN([C@H](CNC(=O)C(=O)Nc2ccsc2)c2cccs2)CCO1 ZINC000246237397 532534930 /nfs/dbraw/zinc/53/49/30/532534930.db2.gz LEVDMAKUJDHEOS-TZMCWYRMSA-N 0 0 379.507 2.326 10 0 GEAERN C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000247979339 532550111 /nfs/dbraw/zinc/55/01/11/532550111.db2.gz IERIVSIMFFJJAS-MBNYWOFBSA-N 0 0 378.416 2.377 10 0 GEAERN CC[C@@H]1CN(Cc2cccc(Cl)c2S(=O)(=O)CC)CCN1C[C@H](C)O ZINC000249404841 532565070 /nfs/dbraw/zinc/56/50/70/532565070.db2.gz CWWRYCDQEDHBJI-GOEBONIOSA-N 0 0 388.961 2.411 10 0 GEAERN C[C@H](NC(=O)CCCN1C(=O)CN(C)C1=O)c1cccc(Br)c1 ZINC000248055631 532548954 /nfs/dbraw/zinc/54/89/54/532548954.db2.gz SETLCBAOQOPXBO-NSHDSACASA-N 0 0 382.258 2.301 10 0 GEAERN O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)[C@@H]1CC(F)(F)CN1 ZINC000263079339 532614390 /nfs/dbraw/zinc/61/43/90/532614390.db2.gz XJSKAHFCEMJCIE-NEPJUHHUSA-N 0 0 378.206 2.212 10 0 GEAERN CC[N@H+](CC(=O)[O-])C1CC(NC(=O)NCc2sccc2Br)C1 ZINC000262975530 532609879 /nfs/dbraw/zinc/60/98/79/532609879.db2.gz KJEAOEYMKHDAIJ-UHFFFAOYSA-N 0 0 390.303 2.247 10 0 GEAERN CN(C)c1cc(Cl)cc(Cl)c1CN1CCO[C@H](C[N@H+](C)CC(=O)[O-])C1 ZINC000263517442 532628091 /nfs/dbraw/zinc/62/80/91/532628091.db2.gz PGYSSVVZZALHDU-CYBMUJFWSA-N 0 0 390.311 2.277 10 0 GEAERN Cn1ncc(NCCNc2ncccc2C(F)(F)F)c(Br)c1=O ZINC000301259841 532746887 /nfs/dbraw/zinc/74/68/87/532746887.db2.gz UTQJPZLQJQAQEO-UHFFFAOYSA-N 0 0 392.179 2.481 10 0 GEAERN Nn1c(Sc2ccccc2S(=O)(=O)C(F)(F)F)nnc1C(F)(F)F ZINC000301735609 532759275 /nfs/dbraw/zinc/75/92/75/532759275.db2.gz ZSRPQNUNANIVRG-UHFFFAOYSA-N 0 0 392.306 2.455 10 0 GEAERN CCS[C@@H]1CC[C@@]1(O)CNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1 ZINC000301491363 532752406 /nfs/dbraw/zinc/75/24/06/532752406.db2.gz NJLBWHCILIIHIU-CHWSQXEVSA-N 0 0 384.445 2.411 10 0 GEAERN CS(=O)(=O)c1ccc2ncnc(N3CCO[C@H](c4nccs4)C3)c2c1 ZINC000302648754 532772335 /nfs/dbraw/zinc/77/23/35/532772335.db2.gz GBKBCGJGNWIRDI-AWEZNQCLSA-N 0 0 376.463 2.068 10 0 GEAERN CC[S@](=O)c1ccc(OC[C@H](O)CN2CCN(c3ccccc3)CC2)cc1 ZINC000031371949 212158177 /nfs/dbraw/zinc/15/81/77/212158177.db2.gz KQCVBOQOJFKQIQ-XHCCPWGMSA-N 0 0 388.533 2.376 10 0 GEAERN Cc1cc(-c2ccc(Br)cc2)nn(CCN2CCOCC2)c1=O ZINC000031560962 212157477 /nfs/dbraw/zinc/15/74/77/212157477.db2.gz QBNSEPPLTWMJSF-UHFFFAOYSA-N 0 0 378.270 2.313 10 0 GEAERN CNC(=O)c1ccc([C@@H]2CCCCN2CCS(=O)(=O)c2ccccc2)n1C ZINC000328654946 212089550 /nfs/dbraw/zinc/08/95/50/212089550.db2.gz XVXRGMZQHIJTHY-SFHVURJKSA-N 0 0 389.521 2.386 10 0 GEAERN CC(C)N(C)c1cnn([C@H]2CCCN(C(=O)c3noc4c3CCCC4)C2)c(=O)c1 ZINC000328606248 212084252 /nfs/dbraw/zinc/08/42/52/212084252.db2.gz QVBGPPVCJGLEKA-HNNXBMFYSA-N 0 0 399.495 2.432 10 0 GEAERN CC[C@H](C)NS(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2 ZINC000002456161 220536125 /nfs/dbraw/zinc/53/61/25/220536125.db2.gz MVAVNGUWAOAVPX-VIFPVBQESA-N 0 0 375.288 2.435 10 0 GEAERN COCCNC(=O)c1ccc2c(c1)ncn2-c1cc(OC)c(OC)c(OC)c1 ZINC000002926269 220585076 /nfs/dbraw/zinc/58/50/76/220585076.db2.gz JLXJDPXIPPJPDU-UHFFFAOYSA-N 0 0 385.420 2.428 10 0 GEAERN COc1ccc(-c2ccc3nnc(SCC(=O)NC[C@H]4CCCO4)n3n2)cc1 ZINC000004376578 220713303 /nfs/dbraw/zinc/71/33/03/220713303.db2.gz SORLFANTFBTWNK-OAHLLOKOSA-N 0 0 399.476 2.187 10 0 GEAERN Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C[C@H]3CCCO3)cc2)no1 ZINC000004325647 220707058 /nfs/dbraw/zinc/70/70/58/220707058.db2.gz VOFKMTJHOMVZTH-CQSZACIVSA-N 0 0 379.438 2.035 10 0 GEAERN Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000004933696 220793973 /nfs/dbraw/zinc/79/39/73/220793973.db2.gz RRQVVUOJWPOVSJ-UHFFFAOYSA-N 0 0 387.461 2.139 10 0 GEAERN O=C(CCC1CCN(C(=O)c2coc3c2C(=O)CCC3)CC1)N1CCOCC1 ZINC000011815855 221127478 /nfs/dbraw/zinc/12/74/78/221127478.db2.gz UMFSARHJAJGMRX-UHFFFAOYSA-N 0 0 388.464 2.290 10 0 GEAERN COc1cccc(NC(=O)c2cn(CCNC(=O)c3ccccc3C)nn2)c1 ZINC000012079875 221147733 /nfs/dbraw/zinc/14/77/33/221147733.db2.gz KOWUCSNSLFEITO-UHFFFAOYSA-N 0 0 379.420 2.277 10 0 GEAERN CCOC(=O)CNC(=O)N1CCC[C@H](C(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC000012583306 221209531 /nfs/dbraw/zinc/20/95/31/221209531.db2.gz RTILISPBYAOHCI-HNNXBMFYSA-N 0 0 376.453 2.479 10 0 GEAERN O=C1c2cccc(N3CCN(Cc4ccco4)CC3)c2C(=O)N1C[C@H]1CCCO1 ZINC000012727981 221222213 /nfs/dbraw/zinc/22/22/13/221222213.db2.gz PXJCKIYVJGFSKX-QGZVFWFLSA-N 0 0 395.459 2.377 10 0 GEAERN CCCCn1c(=O)c2nc(C34C[C@H]5CC3C[C@@H](C4)C5)[nH]c2n(CCCO)c1=O ZINC000013815402 221290288 /nfs/dbraw/zinc/29/02/88/221290288.db2.gz CIBIXJYFYPFMTN-RPGRIMGWSA-N 0 0 386.496 2.147 10 0 in-vitro GEAERN Cc1ccsc1C(=O)NCCn1cc(C(=O)NCc2ccc(F)cc2)nn1 ZINC000015007118 221326213 /nfs/dbraw/zinc/32/62/13/221326213.db2.gz LNWFIMVIZDHPLF-UHFFFAOYSA-N 0 0 387.440 2.147 10 0 GEAERN CCCn1c(=O)[nH]nc1SCc1nc2oc(C)c(C(=O)OCC)c2c(=O)[nH]1 ZINC000016097263 221357741 /nfs/dbraw/zinc/35/77/41/221357741.db2.gz GLCINORVJLDBPZ-UHFFFAOYSA-N 0 0 393.425 2.001 10 0 GEAERN O=C(NCCc1ccccc1)[C@H]1[C@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 ZINC000020113403 221473720 /nfs/dbraw/zinc/47/37/20/221473720.db2.gz XMSJWPKHWOLGJU-VQQMMKBISA-N 0 0 394.496 2.389 10 0 GEAERN O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1)NCC1CCCCC1 ZINC000020999715 221523188 /nfs/dbraw/zinc/52/31/88/221523188.db2.gz QIVBZWHHRDQXMQ-GOSISDBHSA-N 0 0 379.451 2.352 10 0 GEAERN C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@H](O)c1ccc(OS(=O)(=O)[O-])cc1 ZINC000504300756 533662471 /nfs/dbraw/zinc/66/24/71/533662471.db2.gz NMAZAVFSVLQMGG-UGSOOPFHSA-N 0 0 381.450 2.218 10 0 GEAERN O=C1Cc2cc(S(=O)(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc2N1 ZINC000064696320 136157619 /nfs/dbraw/zinc/15/76/19/136157619.db2.gz PAPJOSZEXJYPBJ-UHFFFAOYSA-N 0 0 391.880 2.346 10 0 GEAERN CC(C)CN1CCn2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)nc2C1 ZINC000065230008 136160588 /nfs/dbraw/zinc/16/05/88/136160588.db2.gz JQKWXNLUKLCJDN-UHFFFAOYSA-N 0 0 385.487 2.456 10 0 GEAERN CCCn1ncc(N2CCC(C(=O)NCc3cc(F)ccc3F)CC2)cc1=O ZINC000065311427 136163084 /nfs/dbraw/zinc/16/30/84/136163084.db2.gz VMKXUKNGOKSUAV-UHFFFAOYSA-N 0 0 390.434 2.464 10 0 GEAERN CCNC(=O)Nc1ccc(-c2nc3c(ncn3C)c(N3CCOC[C@@H]3C)n2)cc1 ZINC000096283246 136186067 /nfs/dbraw/zinc/18/60/67/136186067.db2.gz HMPQQYCOBUJYSG-ZDUSSCGKSA-N 0 0 395.467 2.397 10 0 GEAERN CC(=O)Nc1cnc(N2CCC([N@@H+](C)CCCOC(C)C)CC2)c(C(=O)[O-])c1 ZINC000096399427 136186912 /nfs/dbraw/zinc/18/69/12/136186912.db2.gz ZTQWDNLOYOWSNO-UHFFFAOYSA-N 0 0 392.500 2.454 10 0 GEAERN COc1ccc(C)cc1S(=O)(=O)NCc1ccnc(N2CCCCC2)n1 ZINC000224213546 136206410 /nfs/dbraw/zinc/20/64/10/136206410.db2.gz CRODFZWTGGKZKV-UHFFFAOYSA-N 0 0 376.482 2.262 10 0 GEAERN CC[C@@H](C)NC(=O)CN1c2cc(C(=O)N(C)C)ccc2N2CCCC[C@@H]2C1=O ZINC000021941989 221549376 /nfs/dbraw/zinc/54/93/76/221549376.db2.gz YWPIJBHHKKCDTR-RHSMWYFYSA-N 0 0 386.496 2.009 10 0 GEAERN Cc1nc2ncnn2c(N2CCN(C(=O)C3CC3)CC2)c1Cc1ccccc1 ZINC000023314057 221591772 /nfs/dbraw/zinc/59/17/72/221591772.db2.gz UGRXSEXHNWSQMM-UHFFFAOYSA-N 0 0 376.464 2.082 10 0 GEAERN CCn1cc(NC(=O)c2ccc(COc3ccccc3OC)o2)c(C(N)=O)n1 ZINC000028238384 221671000 /nfs/dbraw/zinc/67/10/00/221671000.db2.gz WVKDLJPRAZHJIR-UHFFFAOYSA-N 0 0 384.392 2.435 10 0 GEAERN COc1ccc(OC)c(Nc2nnc(SCc3ccccc3)n(N)c2=O)c1 ZINC000028535886 221680044 /nfs/dbraw/zinc/68/00/44/221680044.db2.gz MVOXMOCYIOQVNS-UHFFFAOYSA-N 0 0 385.449 2.405 10 0 GEAERN COCCNC(=O)[C@H]1C[C@@H](c2ccc(F)c(C)c2)CN(C(=O)NC(C)C)C1 ZINC000034716233 221803178 /nfs/dbraw/zinc/80/31/78/221803178.db2.gz RZCUDYUXCVXBHT-SJORKVTESA-N 0 0 379.476 2.420 10 0 GEAERN CCC(=O)N1CCC([C@H](NC(=O)c2ccc(C)cc2)C(=O)N2CCCC2)CC1 ZINC000036213461 221848535 /nfs/dbraw/zinc/84/85/35/221848535.db2.gz GMKSYPNIXOZDBD-FQEVSTJZSA-N 0 0 385.508 2.364 10 0 GEAERN CSCCCNC(=O)C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl ZINC000055099976 222016429 /nfs/dbraw/zinc/01/64/29/222016429.db2.gz ITSJHXGRUPHQGH-HNNXBMFYSA-N 0 0 387.908 2.039 10 0 GEAERN COC(=O)CNC(=O)[C@H]1COc2ccc(NC(=O)c3cccc(C)c3)cc2C1 ZINC000065082068 222099282 /nfs/dbraw/zinc/09/92/82/222099282.db2.gz RSCQFVMRHVNPTR-MRXNPFEDSA-N 0 0 382.416 2.088 10 0 GEAERN COc1ccc(NC(=O)c2cn(C)nc2S(=O)(=O)N2CCCCCC2)cc1 ZINC000065152543 222104662 /nfs/dbraw/zinc/10/46/62/222104662.db2.gz JOMSRTPKVVUKKW-UHFFFAOYSA-N 0 0 392.481 2.246 10 0 GEAERN O=C(NCCN1CCOCC1)c1ccc2c(c1)N(C(=O)c1ccc(F)cc1)CC2 ZINC000065210366 222111563 /nfs/dbraw/zinc/11/15/63/222111563.db2.gz FWZNBPKCPNYOBZ-UHFFFAOYSA-N 0 0 397.450 2.091 10 0 GEAERN CCOCCCNC(=O)N1CCc2c(c(C(=O)Nc3ccccc3)nn2C)C1 ZINC000064893875 222088537 /nfs/dbraw/zinc/08/85/37/222088537.db2.gz YJEROTNJJZYVNB-UHFFFAOYSA-N 0 0 385.468 2.167 10 0 GEAERN CCN(CC)C(=O)c1nc(CNS(=O)(=O)c2cc(F)cc(F)c2)oc1C ZINC000065293905 222120747 /nfs/dbraw/zinc/12/07/47/222120747.db2.gz UVQOMPSISRMMKB-UHFFFAOYSA-N 0 0 387.408 2.222 10 0 GEAERN O=C(Nc1ccc2c(c1)OCCO2)C1CCN(c2nnc3ccccn32)CC1 ZINC000065312411 222121487 /nfs/dbraw/zinc/12/14/87/222121487.db2.gz SVHOBMYNJDTHEP-UHFFFAOYSA-N 0 0 379.420 2.356 10 0 GEAERN CC(=O)Nc1nsc(N2CCC(C(=O)NCc3cc(F)cc(F)c3)CC2)n1 ZINC000065307680 222121688 /nfs/dbraw/zinc/12/16/88/222121688.db2.gz GHUNFNNZYQULKL-UHFFFAOYSA-N 0 0 395.435 2.308 10 0 GEAERN CC(=O)N1CCc2cc(N3C[C@H](C(=O)N[C@@H](C)c4ccccn4)CC3=O)ccc21 ZINC000065307314 222121828 /nfs/dbraw/zinc/12/18/28/222121828.db2.gz BOTAQYPTSVDPPS-WMLDXEAASA-N 0 0 392.459 2.221 10 0 GEAERN CC(=O)Nc1nsc(N2CCC[C@H](C(=O)NCc3ccc(F)cc3F)C2)n1 ZINC000065307711 222122146 /nfs/dbraw/zinc/12/21/46/222122146.db2.gz JHDOAKFZPJBCFG-LBPRGKRZSA-N 0 0 395.435 2.308 10 0 GEAERN Cc1ccc(C)c(OCc2cc(C(=O)NC[C@@H]3CCS(=O)(=O)C3)no2)c1 ZINC000067688504 222153251 /nfs/dbraw/zinc/15/32/51/222153251.db2.gz IJFQUODTNXOEET-AWEZNQCLSA-N 0 0 378.450 2.035 10 0 GEAERN Cc1ccc(C)c(OCc2cc(C(=O)NC[C@H]3CCS(=O)(=O)C3)no2)c1 ZINC000067688505 222154709 /nfs/dbraw/zinc/15/47/09/222154709.db2.gz IJFQUODTNXOEET-CQSZACIVSA-N 0 0 378.450 2.035 10 0 GEAERN CCCS(=O)(=O)N1CCC(n2nc(-c3cc(C)oc3C)ccc2=O)CC1 ZINC000072342431 222231383 /nfs/dbraw/zinc/23/13/83/222231383.db2.gz DUGKLGGRZSCBEN-UHFFFAOYSA-N 0 0 379.482 2.497 10 0 GEAERN [NH3+]CCOCCOC[C@@H](C(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000085475782 222322855 /nfs/dbraw/zinc/32/28/55/222322855.db2.gz KOXRXVLXOFDALB-FQEVSTJZSA-N 0 0 399.443 2.035 10 0 GEAERN O=C([O-])[C@@H](c1ccc(F)c(CO)c1)[NH+]1CCC(CCN2CCCC2=O)CC1 ZINC000095501562 222334420 /nfs/dbraw/zinc/33/44/20/222334420.db2.gz AISNZLOVPNSTEP-LJQANCHMSA-N 0 0 378.444 2.168 10 0 GEAERN COc1ccc2c(ccn(CC(=O)N(C)C3CCSCC3)c2=O)c1OC ZINC000095503863 222335433 /nfs/dbraw/zinc/33/54/33/222335433.db2.gz CWNNYUZHGMBBIO-UHFFFAOYSA-N 0 0 376.478 2.373 10 0 GEAERN Cc1cc(N(C)C)nc(SCc2ccc(C(=O)N3CCN(C)CC3)o2)n1 ZINC000096211171 222398057 /nfs/dbraw/zinc/39/80/57/222398057.db2.gz NUPDLUPTORCFMF-UHFFFAOYSA-N 0 0 375.498 2.124 10 0 GEAERN Cc1ccc(CN(C)C(=O)CSc2nnc3n2c2ccccc2c(=O)n3C)o1 ZINC000008353373 533852577 /nfs/dbraw/zinc/85/25/77/533852577.db2.gz RNCFLYPNLMYLTP-UHFFFAOYSA-N 0 0 397.460 2.233 10 0 GEAERN O=C(c1cccc(N2CCNC2=O)c1)N1CCc2[nH]cnc2[C@@H]1c1ccccn1 ZINC000020999126 570287180 /nfs/dbraw/zinc/28/71/80/570287180.db2.gz XARUUADHECORMT-IBGZPJMESA-N 0 0 388.431 2.122 10 0 GEAERN CC(C)[C@H](O)CN1CCO[C@H](CN(CC2CC2)C(=O)c2ccc(F)cc2)C1 ZINC000034691665 570296479 /nfs/dbraw/zinc/29/64/79/570296479.db2.gz RXKRJBOTWBGXRP-VQTJNVASSA-N 0 0 378.488 2.396 10 0 GEAERN COCCNC(=O)[C@H]1C[C@H](c2ccc(F)c(C)c2)CN(C(=O)NC(C)C)C1 ZINC000034716235 570319512 /nfs/dbraw/zinc/31/95/12/570319512.db2.gz RZCUDYUXCVXBHT-IRXDYDNUSA-N 0 0 379.476 2.420 10 0 GEAERN NC(=O)COc1ccc(C(=O)N(Cc2ccco2)Cc2ccc(O)cc2)cc1O ZINC000669385237 570377210 /nfs/dbraw/zinc/37/72/10/570377210.db2.gz PYSNFJVEEOYKMP-UHFFFAOYSA-N 0 0 396.399 2.398 10 0 GEAERN COc1cc(C)c(S(=O)(=O)NCc2ccnc(N3CCCC3)n2)cc1C ZINC000224203671 570436788 /nfs/dbraw/zinc/43/67/88/570436788.db2.gz AKBKTCQPYUHDAF-UHFFFAOYSA-N 0 0 376.482 2.181 10 0 GEAERN CCOC[C@@H](O)CN(Cc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)C1CC1 ZINC000036205092 570569090 /nfs/dbraw/zinc/56/90/90/570569090.db2.gz AXDLBALSFMGPKN-OCCSQVGLSA-N 0 0 391.537 2.471 10 0 GEAERN COc1ccc(OC)c([C@H]2SCC(=O)N2CC(=O)NCc2ccco2)c1 ZINC000006777167 570584468 /nfs/dbraw/zinc/58/44/68/570584468.db2.gz DAIZBKNQZIVFEQ-GOSISDBHSA-N 0 0 376.434 2.187 10 0 GEAERN O=C(NCCc1ccccn1)[C@H](C1CCCC1)N1CCN(C(=O)C2CCC2)CC1 ZINC000036251346 570587534 /nfs/dbraw/zinc/58/75/34/570587534.db2.gz JGKCBGQVAQPHNU-NRFANRHFSA-N 0 0 398.551 2.243 10 0 GEAERN CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC(c2ccccc2C)=NO1 ZINC000006872536 570664535 /nfs/dbraw/zinc/66/45/35/570664535.db2.gz TVPQGBIUSKGNDX-VQTJNVASSA-N 0 0 379.460 2.352 10 0 GEAERN CC(C)COC[C@H](O)CN(CCN1CCOCC1)Cc1ccc(F)cc1F ZINC000036104012 570673048 /nfs/dbraw/zinc/67/30/48/570673048.db2.gz NDWMGSBEKNGMKA-LJQANCHMSA-N 0 0 386.483 2.133 10 0 GEAERN Cc1ccc(NC(=O)CN2CCN(Cc3ccccc3C)S2(=O)=O)cc1F ZINC000033045338 570696169 /nfs/dbraw/zinc/69/61/69/570696169.db2.gz IDSZBVGZNQFHAD-UHFFFAOYSA-N 0 0 391.468 2.444 10 0 GEAERN O=C(NCCN1CCCC1)c1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033060343 570747343 /nfs/dbraw/zinc/74/73/43/570747343.db2.gz CNRSQTDAGWTGPS-UHFFFAOYSA-N 0 0 379.873 2.269 10 0 GEAERN O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CCCN(c2cn[nH]c(=O)c2)C1 ZINC000065313486 570795364 /nfs/dbraw/zinc/79/53/64/570795364.db2.gz WCMZMLNRBIFYQQ-ZDUSSCGKSA-N 0 0 380.370 2.322 10 0 GEAERN COCCN(C)c1cnn([C@H]2CCCN(Cc3cccnc3Cl)C2)c(=O)c1 ZINC000583618294 570800492 /nfs/dbraw/zinc/80/04/92/570800492.db2.gz LDXOPDCOWLKTIQ-INIZCTEOSA-N 0 0 391.903 2.211 10 0 GEAERN O=C(Nc1cccc(F)c1)N1NN=C2C(=O)N(Cc3cccc(F)c3)C(=O)[C@@H]21 ZINC000102926287 570870609 /nfs/dbraw/zinc/87/06/09/570870609.db2.gz XMAIBWFIJXKJNA-LSDHHAIUSA-N 0 0 385.330 2.486 10 0 GEAERN O=S(=O)(c1cnn(Cc2ccccc2)c1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000097015582 570886835 /nfs/dbraw/zinc/88/68/35/570886835.db2.gz MZSZZFDTNCHSQB-GOSISDBHSA-N 0 0 384.461 2.168 10 0 GEAERN COc1ccc(CCNC(=O)[C@@H]2CCN(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000037570753 571032810 /nfs/dbraw/zinc/03/28/10/571032810.db2.gz PCRUYYCPKDLXIB-KRWDZBQOSA-N 0 0 382.416 2.136 10 0 GEAERN C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1cccc(Cl)c1 ZINC000008076950 642347774 /nfs/dbraw/zinc/34/77/74/642347774.db2.gz ZFDLCKAPGZZROK-NSHDSACASA-N 0 0 377.853 2.083 10 0 GEAERN C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1)C1CC1 ZINC000025594798 642425753 /nfs/dbraw/zinc/42/57/53/642425753.db2.gz YIGGYIMZBSBCHS-FZMZJTMJSA-N 0 0 386.901 2.326 10 0 GEAERN C[C@@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)c1ccc(Cl)c(Cl)c1 ZINC000025957624 642428907 /nfs/dbraw/zinc/42/89/07/642428907.db2.gz SJGQXWMPTHUKLN-BREXMAIKSA-N 0 0 382.247 2.281 10 0 GEAERN C[C@H](NC(=O)CNC1=NS(=O)(=O)c2ccccc21)c1ccc(Cl)s1 ZINC000033192711 642502895 /nfs/dbraw/zinc/50/28/95/642502895.db2.gz HXEOTCQOPSXVBL-VIFPVBQESA-N 0 0 383.882 2.317 10 0 GEAERN CC(C)[C@@H](C)NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 ZINC000036841535 642511733 /nfs/dbraw/zinc/51/17/33/642511733.db2.gz BRHPYNMBBYSRAW-SNVBAGLBSA-N 0 0 377.304 2.474 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCSCc1ccccc1F ZINC000052610242 642723324 /nfs/dbraw/zinc/72/33/24/642723324.db2.gz QENUQNGROVOCDA-MRXNPFEDSA-N 0 0 388.530 2.379 10 0 GEAERN O=C1N[C@@H](c2csc(-c3cccc(Br)c3)n2)N2CCOC[C@H]12 ZINC000093884580 643081604 /nfs/dbraw/zinc/08/16/04/643081604.db2.gz XORHHMJAWTWVJP-CHWSQXEVSA-N 0 0 380.267 2.402 10 0 GEAERN O=S(=O)(NC[C@@H]1CCCC[C@@H]1O)c1ccc(I)cc1 ZINC000096846108 643091133 /nfs/dbraw/zinc/09/11/33/643091133.db2.gz CCMJDFIFYOPRAC-GWCFXTLKSA-N 0 0 395.262 2.121 10 0 GEAERN CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Br)cc2)C1 ZINC000102102582 643122851 /nfs/dbraw/zinc/12/28/51/643122851.db2.gz NCBXTNCNUPTYFY-AWEZNQCLSA-N 0 0 396.285 2.295 10 0 GEAERN COc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H](NC(C)=O)C2)cc1Cl ZINC000105618307 643211994 /nfs/dbraw/zinc/21/19/94/643211994.db2.gz HRLPBATYUOJSLL-SNVBAGLBSA-N 0 0 381.281 2.291 10 0 GEAERN O=C(CCN1CCO[C@@H](Cn2cccn2)C1)Nc1ccc(Br)cc1 ZINC000106190195 643224806 /nfs/dbraw/zinc/22/48/06/643224806.db2.gz GYWMLSRRCUQBKR-MRXNPFEDSA-N 0 0 393.285 2.375 10 0 GEAERN Cc1ccc(NC(=O)CN2CCO[C@H](Cn3cccn3)C2)c(Br)c1 ZINC000106192912 643225545 /nfs/dbraw/zinc/22/55/45/643225545.db2.gz LIWUAAMWOFDAHB-AWEZNQCLSA-N 0 0 393.285 2.294 10 0 GEAERN CC[C@H](O)CN1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000106396900 643230309 /nfs/dbraw/zinc/23/03/09/643230309.db2.gz WFBHIAGMWGMFKE-BBWFWOEESA-N 0 0 381.314 2.468 10 0 GEAERN O=S(=O)(c1c(Cl)nc2ccccn21)N1CCO[C@@H](c2nccs2)C1 ZINC000111343685 643334890 /nfs/dbraw/zinc/33/48/90/643334890.db2.gz VDXGPUNGMXBVIS-SNVBAGLBSA-N 0 0 384.870 2.206 10 0 GEAERN CCc1noc([C@H](C)N2CCN(C(=O)c3cncc(Br)c3)CC2)n1 ZINC000112037316 643352385 /nfs/dbraw/zinc/35/23/85/643352385.db2.gz BSOAQQRHWQHOAK-NSHDSACASA-N 0 0 394.273 2.309 10 0 GEAERN CCn1cc(CN2CCCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cn1 ZINC000112707556 643370235 /nfs/dbraw/zinc/37/02/35/643370235.db2.gz VDSRMYAXWAYLFB-UHFFFAOYSA-N 0 0 382.917 2.453 10 0 GEAERN CCc1csc([C@@H]2CCCN(C(=O)c3csc(S(N)(=O)=O)c3)C2)n1 ZINC000113205557 643385679 /nfs/dbraw/zinc/38/56/79/643385679.db2.gz IXPAXMPEVHGOLV-SNVBAGLBSA-N 0 0 385.536 2.434 10 0 GEAERN CCOc1ccnc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000113293255 643391070 /nfs/dbraw/zinc/39/10/70/643391070.db2.gz WKNZGXIIKDADQO-UHFFFAOYSA-N 0 0 382.873 2.040 10 0 GEAERN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1ccc(SC(F)(F)F)cc1 ZINC000113299040 643392503 /nfs/dbraw/zinc/39/25/03/643392503.db2.gz XNONPVSHSWEBCZ-VIFPVBQESA-N 0 0 378.401 2.183 10 0 GEAERN CCN(CC)S(=O)(=O)CC(=O)N[C@H](C)c1ccccc1Br ZINC000114161068 643408777 /nfs/dbraw/zinc/40/87/77/643408777.db2.gz OUYADRGWXPEKLR-LLVKDONJSA-N 0 0 377.304 2.298 10 0 GEAERN CCc1nc2n(n1)C[C@H](NC(=O)N(C)Cc1ccc(Br)o1)CC2 ZINC000114978428 643429068 /nfs/dbraw/zinc/42/90/68/643429068.db2.gz YLFJRFMDEQSZAI-SNVBAGLBSA-N 0 0 382.262 2.352 10 0 GEAERN Cc1cc(NC(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)ccc1Br ZINC000116588225 643465444 /nfs/dbraw/zinc/46/54/44/643465444.db2.gz LYOXEYYACDYAAM-GFCCVEGCSA-N 0 0 391.269 2.446 10 0 GEAERN CCOCCN1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)C[C@@H]1CC ZINC000116899311 643475971 /nfs/dbraw/zinc/47/59/71/643475971.db2.gz FAVATZCMZXFZCW-LBPRGKRZSA-N 0 0 380.432 2.225 10 0 GEAERN CC[C@H]1CN(S(=O)(=O)c2ccccc2Br)CCN1CCOC ZINC000117371722 643490136 /nfs/dbraw/zinc/49/01/36/643490136.db2.gz PKMVJULJFQHWHK-ZDUSSCGKSA-N 0 0 391.331 2.180 10 0 GEAERN CC[C@H]1CN(S(=O)(=O)c2ccc(Br)cc2)CCN1CCOC ZINC000117372373 643490845 /nfs/dbraw/zinc/49/08/45/643490845.db2.gz GTIGNPAXCXTWEM-AWEZNQCLSA-N 0 0 391.331 2.180 10 0 GEAERN C[C@H](CNC(=O)c1cn(-c2ccc(Br)cc2)cn1)N1CCOCC1 ZINC000119044216 643531711 /nfs/dbraw/zinc/53/17/11/643531711.db2.gz SLJSLRNKSRDSKW-CYBMUJFWSA-N 0 0 393.285 2.085 10 0 GEAERN O=C(NCCOC(=O)[C@H]1COc2ccc(Br)cc21)c1ccncc1 ZINC000119087702 643533956 /nfs/dbraw/zinc/53/39/56/643533956.db2.gz HJVLZISJNMMXED-AWEZNQCLSA-N 0 0 391.221 2.293 10 0 GEAERN O=C(NCCOC(=O)[C@@H]1COc2ccc(Br)cc21)c1ccncc1 ZINC000119087606 643534055 /nfs/dbraw/zinc/53/40/55/643534055.db2.gz HJVLZISJNMMXED-CQSZACIVSA-N 0 0 391.221 2.293 10 0 GEAERN CC(C)[C@@H](C)NC(=O)C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000119083823 643534114 /nfs/dbraw/zinc/53/41/14/643534114.db2.gz GNXSBXCIASQDIH-LLVKDONJSA-N 0 0 394.273 2.188 10 0 GEAERN Cc1ccc(N2CCCN(C(=O)c3nc(Br)cs3)CC2)nn1 ZINC000119387602 643550258 /nfs/dbraw/zinc/55/02/58/643550258.db2.gz HSFHRCRVXMNDIW-UHFFFAOYSA-N 0 0 382.287 2.357 10 0 GEAERN Cn1cc(CN2CCCN(C(=O)Nc3cccnc3Br)CC2)cn1 ZINC000119722519 643568779 /nfs/dbraw/zinc/56/87/79/643568779.db2.gz YNKWCQFGDVTTIT-UHFFFAOYSA-N 0 0 393.289 2.317 10 0 GEAERN CCn1cc(NC(=O)C(=O)N[C@@H](C)c2cccc(Br)c2)ccc1=O ZINC000119943914 643580937 /nfs/dbraw/zinc/58/09/37/643580937.db2.gz HZXZROQYKAAAKR-NSHDSACASA-N 0 0 392.253 2.447 10 0 GEAERN C[C@@H](NC(=O)c1cc(Br)ccc1O)c1ccc(S(N)(=O)=O)cc1 ZINC000120030442 643586908 /nfs/dbraw/zinc/58/69/08/643586908.db2.gz PKSSBWGLXRHIBV-SECBINFHSA-N 0 0 399.266 2.293 10 0 GEAERN O=C(NCC1(c2ccccc2Br)CC1)N[C@H]1CCc2ncnn2C1 ZINC000120475304 643610086 /nfs/dbraw/zinc/61/00/86/643610086.db2.gz AFZFEISDLOFVEX-LBPRGKRZSA-N 0 0 390.285 2.386 10 0 GEAERN COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2Br)C[C@@H]1C ZINC000124984619 643696980 /nfs/dbraw/zinc/69/69/80/643696980.db2.gz AHPDUCGPUFIFDP-WDEREUQCSA-N 0 0 376.272 2.187 10 0 GEAERN CN1CCCc2ccc(S(=O)(=O)N3CCO[C@H](c4nccs4)C3)cc21 ZINC000125291605 643704918 /nfs/dbraw/zinc/70/49/18/643704918.db2.gz SGCWJILWYBOUSW-INIZCTEOSA-N 0 0 379.507 2.288 10 0 GEAERN CCc1nc2n(n1)CCC[C@H]2N[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000126049256 643719993 /nfs/dbraw/zinc/71/99/93/643719993.db2.gz IKHUYMCELHJGKD-TZMCWYRMSA-N 0 0 378.274 2.254 10 0 GEAERN CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Br)cc2-n2cncn2)C1 ZINC000130601792 643844731 /nfs/dbraw/zinc/84/47/31/643844731.db2.gz GWJPSPBMTZNBKE-ZDUSSCGKSA-N 0 0 378.274 2.244 10 0 GEAERN O=C(N[C@@H]1CCCC[C@H]1CO)C(=O)N1CCc2ccc(Br)cc21 ZINC000130642257 643846125 /nfs/dbraw/zinc/84/61/25/643846125.db2.gz 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645480490 /nfs/dbraw/zinc/48/04/90/645480490.db2.gz WGLZPSWDHZVMGZ-PMPSAXMXSA-N 0 0 383.583 2.063 10 0 GEAERN C[C@H]1CN(Cc2nnc(-c3ccc(Br)o3)o2)C[C@H]1N1CCOCC1 ZINC000246403881 645483857 /nfs/dbraw/zinc/48/38/57/645483857.db2.gz JPGHYHHMQGMVGQ-NWDGAFQWSA-N 0 0 397.273 2.245 10 0 GEAERN Cc1cc(NC(=O)CN2C[C@H](N3CCOCC3)[C@@H](C)C2)ccc1Br ZINC000246608849 645487465 /nfs/dbraw/zinc/48/74/65/645487465.db2.gz XZRWXLSCLOHVRS-YOEHRIQHSA-N 0 0 396.329 2.349 10 0 GEAERN CN1CCCc2ccc(S(=O)(=O)N3CCO[C@@H](c4nccs4)C3)cc21 ZINC000246623677 645488308 /nfs/dbraw/zinc/48/83/08/645488308.db2.gz SGCWJILWYBOUSW-MRXNPFEDSA-N 0 0 379.507 2.288 10 0 GEAERN COCCN1CCN(C(=O)[C@H](C)Oc2cccc(Br)c2)C[C@@H]1C ZINC000246727959 645490561 /nfs/dbraw/zinc/49/05/61/645490561.db2.gz LZCOUQRWDRKWCM-KBPBESRZSA-N 0 0 385.302 2.396 10 0 GEAERN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H](OC)c1cccc(Cl)c1 ZINC000247057546 645503404 /nfs/dbraw/zinc/50/34/04/645503404.db2.gz ZZKIGHVVUBYOFM-HZPDHXFCSA-N 0 0 388.917 2.348 10 0 GEAERN 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