smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](C(=O)N1c2ccccc2[C@@](C)(c2ccc(Cl)cc2)CC1(C)C)N1CCC(C)CC1 ZINC000002292551 132251431 /nfs/dbraw/zinc/25/14/31/132251431.db2.gz KHAKSADXWAYEPL-NFQMXDRXSA-N 0 1 439.043 6.282 50 0 IKAAMN CN1CCN(c2ccc(/N=c3\cc(-c4ccccc4)oc4ccc(Cl)cc43)cc2)CC1 ZINC000006144197 132276180 /nfs/dbraw/zinc/27/61/80/132276180.db2.gz ABVWLQJURSQBCA-ZZIIXHQDSA-N 0 1 429.951 5.737 50 0 IKAAMN CC(=O)c1cccc(CN2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)c1 ZINC000012594667 518421767 /nfs/dbraw/zinc/42/17/67/518421767.db2.gz ULSIXNGKDPRKTD-UHFFFAOYSA-N 0 1 430.523 5.546 50 0 IKAAMN CC(C)(C)[C@@H]1CCCC2=C1[NH2+]N(c1nc(-c3ccc(F)cc3)cs1)[C@]2([O-])C(F)(F)F ZINC000035999490 518941545 /nfs/dbraw/zinc/94/15/45/518941545.db2.gz KKBBMOZXYZHLCD-STXHMFSFSA-N 0 1 441.494 5.839 50 0 IKAAMN CC(C)[C@H](C)N(Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1F ZINC000035841251 519812053 /nfs/dbraw/zinc/81/20/53/519812053.db2.gz AKXLWFJMXIBRTM-IBGZPJMESA-N 0 1 432.505 6.741 50 0 IKAAMN CCCCCOc1ccc([C@](O)(CCC)[C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000020756639 520258909 /nfs/dbraw/zinc/25/89/09/520258909.db2.gz ROOBRHVMCARMNN-RRPNLBNLSA-N 0 1 425.613 5.359 50 0 IKAAMN CCN(CC)C(=O)C1CCN(Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)CC1 ZINC000012571122 520443521 /nfs/dbraw/zinc/44/35/21/520443521.db2.gz QAGLVELASDUSJX-UHFFFAOYSA-N 0 1 447.579 5.523 50 0 IKAAMN CCN(CC)CCN(C(=O)c1ccc(C(C)=O)cc1)c1nc2ccc(Cl)cc2s1 ZINC000012140841 520639116 /nfs/dbraw/zinc/63/91/16/520639116.db2.gz TWXLOWXKVDEGLE-UHFFFAOYSA-N 0 1 429.973 5.141 50 0 IKAAMN CCC[C@@H](NC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1)c1ccccc1 ZINC000012449327 520752029 /nfs/dbraw/zinc/75/20/29/520752029.db2.gz HFOWIUSLNQGQQU-HHHXNRCGSA-N 0 1 443.591 5.396 50 0 IKAAMN CCOc1ccc([C@@H]2CCCN2Cc2cc(=O)oc3cc(Br)ccc23)cc1 ZINC000012758568 521245659 /nfs/dbraw/zinc/24/56/59/521245659.db2.gz VKGCMIGCTQKSNJ-FQEVSTJZSA-N 0 1 428.326 5.291 50 0 IKAAMN CCCC[C@](O)(c1ccc(OCCC(C)C)cc1)[C@@H](CN1CCOCC1)c1ccccc1 ZINC000020443752 521255015 /nfs/dbraw/zinc/25/50/15/521255015.db2.gz OMBPSMIVFCVMQJ-NSOVKSMOSA-N 0 1 439.640 5.605 50 0 IKAAMN CCOc1ccc([C@](O)(CCc2ccccc2)[C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000020444448 521277275 /nfs/dbraw/zinc/27/72/75/521277275.db2.gz AOLCPUKPAQWQSK-URLMMPGGSA-N 0 1 445.603 5.022 50 0 IKAAMN CCCCn1c(CN2CCCCCC2)nc2cc(NC(=O)COc3ccccc3C)ccc21 ZINC000020594966 521362644 /nfs/dbraw/zinc/36/26/44/521362644.db2.gz BWJYTKLGUHWLMP-UHFFFAOYSA-N 0 1 448.611 5.538 50 0 IKAAMN COc1cc(-c2nc(CN3CCCC[C@@H]3c3nc4ccc(F)cc4[nH]3)c(C)o2)ccc1F ZINC000012299768 521904549 /nfs/dbraw/zinc/90/45/49/521904549.db2.gz IGKADUZDZCXLNM-OAQYLSRUSA-N 0 1 438.478 5.540 50 0 IKAAMN COC(=O)c1ccccc1CN(Cc1cccn1Cc1cccc(C)c1)CC1CCCCC1 ZINC000035841092 522261760 /nfs/dbraw/zinc/26/17/60/522261760.db2.gz DDTMHNSXXCSZJB-UHFFFAOYSA-N 0 1 444.619 6.214 50 0 IKAAMN COc1cc(CN2CCC(N(C(=O)c3ccccc3)c3ccc(C)c(F)c3)CC2)ccc1O ZINC000034683636 522368096 /nfs/dbraw/zinc/36/80/96/522368096.db2.gz YVCADMZXLMEKIZ-UHFFFAOYSA-N 0 1 448.538 5.160 50 0 IKAAMN COc1ccc(-c2n[nH]c(S[C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)n2)cc1 ZINC000015277433 523177239 /nfs/dbraw/zinc/17/72/39/523177239.db2.gz FWHKVEYRAKSQIJ-HXUWFJFHSA-N 0 1 434.496 5.092 50 0 IKAAMN COc1ccc(-c2nc(CN3CCC[C@@H](COc4ccccc4F)C3)c(C)o2)cc1OC ZINC000012579971 523202862 /nfs/dbraw/zinc/20/28/62/523202862.db2.gz OAQWLYPEOLKNIO-GOSISDBHSA-N 0 1 440.515 5.097 50 0 IKAAMN CCc1ccc(-c2csc(NC(=O)[C@@H](C)Sc3nc(-c4ccccc4)n[nH]3)n2)cc1 ZINC000012616541 523858095 /nfs/dbraw/zinc/85/80/95/523858095.db2.gz TZAMQGGIFSSCAA-CQSZACIVSA-N 0 1 435.578 5.277 50 0 IKAAMN CCc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(N4CCCCCC4)cc3)n2)cc1 ZINC000012524859 523859809 /nfs/dbraw/zinc/85/98/09/523859809.db2.gz YTVFQJSNZRSLAW-UHFFFAOYSA-N 0 1 435.597 5.145 50 0 IKAAMN COc1ccc(CCC2CCN([C@H](C)C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 ZINC000012745541 523927560 /nfs/dbraw/zinc/92/75/60/523927560.db2.gz FOMWAYZJPFJMOI-QGZVFWFLSA-N 0 1 434.502 5.386 50 0 IKAAMN CCc1cccc(-n2nc(C)c3c2NC(=O)C[C@@H]3C(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000035170975 524061713 /nfs/dbraw/zinc/06/17/13/524061713.db2.gz KSLKGDSOPJWCQU-DEOSSOPVSA-N 0 1 441.575 6.100 50 0 IKAAMN COc1ccc(F)c(-c2nc(CN3CCCC[C@@H]3c3nc4ccc(F)cc4[nH]3)c(C)o2)c1 ZINC000012306500 524267991 /nfs/dbraw/zinc/26/79/91/524267991.db2.gz PTRLITVQCMQITQ-JOCHJYFZSA-N 0 1 438.478 5.540 50 0 IKAAMN COc1ccccc1-n1cc(CN[C@@H](C)c2cnn(-c3cccc4ccccc43)c2C)cn1 ZINC000012755394 524304107 /nfs/dbraw/zinc/30/41/07/524304107.db2.gz IVWUJBDYMLUEGW-IBGZPJMESA-N 0 1 437.547 5.379 50 0 IKAAMN COc1ccccc1-n1cc(CN[C@H](C)c2cnn(-c3cccc4ccccc43)c2C)cn1 ZINC000012755401 524306307 /nfs/dbraw/zinc/30/63/07/524306307.db2.gz IVWUJBDYMLUEGW-LJQANCHMSA-N 0 1 437.547 5.379 50 0 IKAAMN C[C@@H](CC(F)(F)F)N1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1 ZINC000012456682 524408103 /nfs/dbraw/zinc/40/81/03/524408103.db2.gz ZPTJURRBJVOHLF-AWEZNQCLSA-N 0 1 432.914 5.197 50 0 IKAAMN Cc1ccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000034682894 524876188 /nfs/dbraw/zinc/87/61/88/524876188.db2.gz QDRDPWDNATXKJS-UHFFFAOYSA-N 0 1 436.958 6.099 50 0 IKAAMN COc1ccc(OC[C@@H]2CCCN(Cc3nc(-c4ccc(F)c(OC)c4)oc3C)C2)cc1 ZINC000012575325 524968173 /nfs/dbraw/zinc/96/81/73/524968173.db2.gz UUCLJVQBOBDWTI-GOSISDBHSA-N 0 1 440.515 5.097 50 0 IKAAMN Cc1ccccc1CN(Cc1cccn1Cc1cccc(C(F)(F)F)c1)Cc1ccccc1 ZINC000035841169 525130652 /nfs/dbraw/zinc/13/06/52/525130652.db2.gz GDPBYFRKWGONQD-UHFFFAOYSA-N 0 1 448.532 7.066 50 0 IKAAMN COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000021018366 525536078 /nfs/dbraw/zinc/53/60/78/525536078.db2.gz GLDXDASUMLIWKL-UHFFFAOYSA-N 0 1 425.488 5.015 50 0 IKAAMN C[C@H](N[C@@H](C)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1ccc2c(c1)CCCC2 ZINC000012819979 525537525 /nfs/dbraw/zinc/53/75/25/525537525.db2.gz GMTSBLUBYCPENM-IRXDYDNUSA-N 0 1 429.589 5.942 50 0 IKAAMN COc1cccc(-c2nc(CN3CCC(Sc4cccc(C)c4)CC3)c(C)o2)c1OC ZINC000020539695 525721796 /nfs/dbraw/zinc/72/17/96/525721796.db2.gz CEAQJXQCGOGBRZ-UHFFFAOYSA-N 0 1 438.593 5.732 50 0 IKAAMN COc1cccc(-c2nc(CN3CCC[C@H](COc4cccc(C)c4)C3)c(C)o2)c1OC ZINC000020600288 525724168 /nfs/dbraw/zinc/72/41/68/525724168.db2.gz XQUVXWJYLDLEPA-FQEVSTJZSA-N 0 1 436.552 5.267 50 0 IKAAMN Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)N2CCC(C)CC2)o1 ZINC000021659863 525761756 /nfs/dbraw/zinc/76/17/56/525761756.db2.gz FIXDYSAZWCVSEK-XMMPIXPASA-N 0 1 447.579 5.325 50 0 IKAAMN Cc1ccc([C@H](CNc2nc(-c3ccccc3)nc3nc(-c4ccccc4)oc32)N(C)C)o1 ZINC000041157330 525961333 /nfs/dbraw/zinc/96/13/33/525961333.db2.gz DOVJGEZVCCMXHO-FQEVSTJZSA-N 0 1 439.519 5.568 50 0 IKAAMN CSc1ccc([C@H]2c3c(n[nH]c3-c3c(C)cc(C)cc3O)C(=O)N2Cc2ccco2)cc1 ZINC000020868229 526077493 /nfs/dbraw/zinc/07/74/93/526077493.db2.gz RREIEDNXHNCUOK-DEOSSOPVSA-N 0 1 445.544 5.459 50 0 IKAAMN C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000021331339 526169989 /nfs/dbraw/zinc/16/99/89/526169989.db2.gz MODKXLFNXCJTTB-NVXWUHKLSA-N 0 1 444.457 5.167 50 0 IKAAMN c1sc(-c2ccccn2)nc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022808926 526629017 /nfs/dbraw/zinc/62/90/17/526629017.db2.gz LIKNUNXHTDLDRR-UHFFFAOYSA-N 0 1 426.589 5.112 50 0 IKAAMN O=C(c1ccc(Cl)cc1OC1CCN(Cc2ccccc2F)CC1)N1CCCCC1 ZINC000012432750 526680533 /nfs/dbraw/zinc/68/05/33/526680533.db2.gz LCTNPZVTLGIKMH-UHFFFAOYSA-N 0 1 430.951 5.149 50 0 IKAAMN Clc1cc(CNCc2ccc(-c3nc4ccccc4s3)o2)cc2c1OCCCO2 ZINC000013113436 526925909 /nfs/dbraw/zinc/92/59/09/526925909.db2.gz QJVYAGGIKGLZKG-UHFFFAOYSA-N 0 1 426.925 5.661 50 0 IKAAMN Cn1c(CCc2cccc(NC(=O)c3cc(-c4cccs4)n[nH]3)c2)nc2ccccc21 ZINC000021886271 527050098 /nfs/dbraw/zinc/05/00/98/527050098.db2.gz WCGSCUZBEFGLID-UHFFFAOYSA-N 0 1 427.533 5.062 50 0 IKAAMN O=C(Nc1cccc(-c2cccc(F)c2)c1)C1CCN(Cc2cccc3c2OCO3)CC1 ZINC000012477169 527309295 /nfs/dbraw/zinc/30/92/95/527309295.db2.gz LJTNXKDPBIXSQQ-UHFFFAOYSA-N 0 1 432.495 5.072 50 0 IKAAMN O=C(NCC1CCN(Cc2cccc(Cl)c2)CC1)Nc1ccccc1C(F)(F)F ZINC000020889837 527610110 /nfs/dbraw/zinc/61/01/10/527610110.db2.gz UNPWEYPINSYSEE-UHFFFAOYSA-N 0 1 425.882 5.393 50 0 IKAAMN O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1CC12CCN(Cc1cccnc1)CC2 ZINC000012099877 527618744 /nfs/dbraw/zinc/61/87/44/527618744.db2.gz BQFRFDJMHNSHKM-HHHXNRCGSA-N 0 1 439.603 5.022 50 0 IKAAMN C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccccc1 ZINC000000638556 555517550 /nfs/dbraw/zinc/51/75/50/555517550.db2.gz GRORNAPSWWSAEQ-CQSZACIVSA-N 0 1 449.359 5.285 50 0 IKAAMN Cc1cc(O)c(C2=Nc3ccccc3S[C@H](c3ccccc3Br)C2)c(=O)o1 ZINC000000752657 555553568 /nfs/dbraw/zinc/55/35/68/555553568.db2.gz JBQINTSJVVCUPP-IBGZPJMESA-N 0 1 442.334 5.774 50 0 IKAAMN COc1ccc(N=C2C[C@H](c3ccc(C(C)C)cc3)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000000783563 555555550 /nfs/dbraw/zinc/55/55/50/555555550.db2.gz JKIBHVCFDONATR-AREMUKBSSA-N 0 1 428.532 5.911 50 0 IKAAMN S=c1[nH]nc(CSc2nc(-c3ccccc3)cn2-c2ccccc2)n1-c1ccccc1 ZINC000001036505 555608460 /nfs/dbraw/zinc/60/84/60/555608460.db2.gz IYIXRELQORKMOH-UHFFFAOYSA-N 0 1 441.585 6.075 50 0 IKAAMN CSc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000001051588 555613305 /nfs/dbraw/zinc/61/33/05/555613305.db2.gz JHBJMVHTAACQHR-UHFFFAOYSA-N 0 1 446.981 5.423 50 0 IKAAMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccccc3)ccc2Cl)c1C ZINC000001062408 555616685 /nfs/dbraw/zinc/61/66/85/555616685.db2.gz VEYBHFHOHGQRJQ-QGZVFWFLSA-N 0 1 442.968 5.249 50 0 IKAAMN Cc1cccc(C(C)C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000001064415 555617627 /nfs/dbraw/zinc/61/76/27/555617627.db2.gz FWRMXMSZQOZQPP-UHFFFAOYSA-N 0 1 442.968 5.825 50 0 IKAAMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC3CCCCCC3)ccc2Cl)c(C)c1 ZINC000001065958 555618436 /nfs/dbraw/zinc/61/84/36/555618436.db2.gz XJUZHMPMCUJCHO-UHFFFAOYSA-N 0 1 434.989 5.210 50 0 IKAAMN CCc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 ZINC000001072744 555621960 /nfs/dbraw/zinc/62/19/60/555621960.db2.gz YKUXQRBWTXEDCH-UHFFFAOYSA-N 0 1 442.968 5.572 50 0 IKAAMN CCc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 ZINC000001075936 555623916 /nfs/dbraw/zinc/62/39/16/555623916.db2.gz HEAMZKZLZFXTFS-UHFFFAOYSA-N 0 1 442.968 5.572 50 0 IKAAMN CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc(Cl)c(Cl)cc3Cl)cc21 ZINC000001129674 555643760 /nfs/dbraw/zinc/64/37/60/555643760.db2.gz ZFEKXZNBOIPVSY-UHFFFAOYSA-N 0 1 432.712 5.705 50 0 IKAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000001185048 555673657 /nfs/dbraw/zinc/67/36/57/555673657.db2.gz VRQMQRCWFIUOGF-UHFFFAOYSA-N 0 1 434.439 5.067 50 0 IKAAMN C[C@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)Nc1ccc(Cl)cc1 ZINC000009782435 555692745 /nfs/dbraw/zinc/69/27/45/555692745.db2.gz QBAUWFZICRJTEB-JTQLQIEISA-N 0 1 437.750 5.007 50 0 IKAAMN O=C1C(Nc2ccc(Cl)cc2)=C[C@@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000002061309 555732023 /nfs/dbraw/zinc/73/20/23/555732023.db2.gz ZUGXWFAYRFRZOC-NRFANRHFSA-N 0 1 429.734 6.731 50 0 IKAAMN C[C@H](Cc1ccccc1)NC(=O)C[C@H](c1ccccc1)c1ccc(O)c(Cl)c1Cl ZINC000002234849 555760525 /nfs/dbraw/zinc/76/05/25/555760525.db2.gz BEHZACCXCLMDHC-OXQOHEQNSA-N 0 1 428.359 5.968 50 0 IKAAMN Cc1cc(C)cc(N=C2C[C@@H](c3cccc4ccccc43)N(c3cc(C)cc(C)c3)C2=O)c1 ZINC000002332098 555769197 /nfs/dbraw/zinc/76/91/97/555769197.db2.gz KIJUUHCEMHWADZ-LJAQVGFWSA-N 0 1 432.567 7.157 50 0 IKAAMN Cc1cccc(C(=O)Nc2ccc(N3CCN(Cc4ccc(C(C)C)cc4)CC3)nc2)c1 ZINC000034681584 555815033 /nfs/dbraw/zinc/81/50/33/555815033.db2.gz ZZUAHUDXPATZMW-UHFFFAOYSA-N 0 1 428.580 5.088 50 0 IKAAMN O=C(c1ccco1)N(c1ccc(F)cc1)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000034682561 555816874 /nfs/dbraw/zinc/81/68/74/555816874.db2.gz NOBATYYTHRRDPX-UHFFFAOYSA-N 0 1 446.444 5.749 50 0 IKAAMN COc1ccc(C)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000002874719 555851835 /nfs/dbraw/zinc/85/18/35/555851835.db2.gz VZBHBENZTPPULI-UHFFFAOYSA-N 0 1 444.940 5.019 50 0 IKAAMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)c(Cl)cc2Cl)cc1 ZINC000002898818 555860598 /nfs/dbraw/zinc/86/05/98/555860598.db2.gz GJHKDMINNAGFJO-UHFFFAOYSA-N 0 1 435.332 5.355 50 0 IKAAMN Cc1ccc2c(c1)c1c3n2CCCN(Cc2ccc(OCc4ccccc4)cc2)[C@H]3CCC1 ZINC000002928811 555863842 /nfs/dbraw/zinc/86/38/42/555863842.db2.gz ZKXQQIFTFHUHNW-LJAQVGFWSA-N 0 1 436.599 6.812 50 0 IKAAMN Cc1ccc(C(=O)NCc2ccccc2C)c(C2CCN(Cc3cccc(Cl)c3)CC2)n1 ZINC000034726070 555882060 /nfs/dbraw/zinc/88/20/60/555882060.db2.gz RPJQFDYWJMVKFK-UHFFFAOYSA-N 0 1 448.010 5.661 50 0 IKAAMN S=c1[nH]nc(Nc2ccccc2Br)n1-c1ccccc1Br ZINC000003121870 555889148 /nfs/dbraw/zinc/88/91/48/555889148.db2.gz SBOZEKVHMDKAOA-UHFFFAOYSA-N 0 1 426.137 5.198 50 0 IKAAMN CC(C)c1ccc([C@@H]2C=C(Nc3cccc(Cl)c3)C(=O)N2c2cccc(Cl)c2)cc1 ZINC000003670064 555945407 /nfs/dbraw/zinc/94/54/07/555945407.db2.gz ISWSLZYHGGNYOV-DEOSSOPVSA-N 0 1 437.370 7.201 50 0 IKAAMN CCOc1ccccc1CN(CCc1ccc2c(c1)OCO2)Cc1ccc(F)c(F)c1 ZINC000004489253 555997164 /nfs/dbraw/zinc/99/71/64/555997164.db2.gz YNUJTPYGRSHRKJ-UHFFFAOYSA-N 0 1 425.475 5.337 50 0 IKAAMN CC(C)(C)[C@H]1CCc2oc3ccc(NS(=O)(=O)c4cccc5cccnc54)cc3c2C1 ZINC000006292434 556084137 /nfs/dbraw/zinc/08/41/37/556084137.db2.gz ODYYALBVAZFORX-KRWDZBQOSA-N 0 1 434.561 5.933 50 0 IKAAMN CCCc1ccc([C@@H](C)NCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000002730249 556134292 /nfs/dbraw/zinc/13/42/92/556134292.db2.gz BMXDSXRHZLKCST-CQSZACIVSA-N 0 1 448.419 6.359 50 0 IKAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1 ZINC000008399963 556165633 /nfs/dbraw/zinc/16/56/33/556165633.db2.gz GZOOFSNLMAKYOY-GREBRCKQSA-N 0 1 429.582 5.413 50 0 IKAAMN c1ccc(Oc2ccc(-c3[nH]c(-c4cccc5ccccc54)nc3-c3ccccc3)cc2)cc1 ZINC000008408146 556166776 /nfs/dbraw/zinc/16/67/76/556166776.db2.gz JFSVRRDJCSOZIF-UHFFFAOYSA-N 0 1 438.530 8.356 50 0 IKAAMN CC1(C)Cc2oc3ccc(NS(=O)(=O)c4cc(Cl)ccc4Cl)cc3c2C(=O)C1 ZINC000008439998 556176198 /nfs/dbraw/zinc/17/61/98/556176198.db2.gz XELVNANCEFKCKZ-UHFFFAOYSA-N 0 1 438.332 5.696 50 0 IKAAMN O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4cccs4)cc3[nH]2)cc1)c1cccs1 ZINC000008671257 556198289 /nfs/dbraw/zinc/19/82/89/556198289.db2.gz ALZVAGBHXQHAIA-UHFFFAOYSA-N 0 1 444.541 5.858 50 0 aggregator,in-vivo IKAAMN CSc1ccc(-c2nc(-c3ccc(C(=O)c4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1 ZINC000008741070 556207033 /nfs/dbraw/zinc/20/70/33/556207033.db2.gz LILZYXNMOLYAGR-UHFFFAOYSA-N 0 1 446.575 7.364 50 0 IKAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@@H](c2ccc(Cl)cc2)N(Cc2cccnc2)C3=O)cc1C ZINC000009243389 556267041 /nfs/dbraw/zinc/26/70/41/556267041.db2.gz DOTYCLSFTPYXFA-XMMPIXPASA-N 0 1 444.922 5.193 50 0 IKAAMN CCc1cccc(C)c1N(C(=O)CSc1nc2ccc(Cl)cc2[nH]1)[C@@H](C)COC ZINC000009408862 556287818 /nfs/dbraw/zinc/28/78/18/556287818.db2.gz GNBPPQHYTGZHBO-HNNXBMFYSA-N 0 1 431.989 5.247 50 0 IKAAMN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccco4)c3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009679518 556305857 /nfs/dbraw/zinc/30/58/57/556305857.db2.gz ZTLNSYKCXVKNTN-QFIPXVFZSA-N 0 1 447.878 5.250 50 0 IKAAMN Clc1ccc(-c2nc(-c3ccc(Br)cc3)c(-c3ccccc3)[nH]2)cc1Cl ZINC000013801265 556310575 /nfs/dbraw/zinc/31/05/75/556310575.db2.gz HGHRYEYNIQBPLY-UHFFFAOYSA-N 0 1 444.159 7.480 50 0 IKAAMN COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(Cc4cc(C(C)C)n[nH]4)C3)cc2)c1 ZINC000011664567 556345290 /nfs/dbraw/zinc/34/52/90/556345290.db2.gz ZYGZIPWXWYBMPX-OAQYLSRUSA-N 0 1 432.568 5.059 50 0 IKAAMN O=C(CCC1CCN(Cc2nc(-c3ccccc3)no2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000011718257 556348547 /nfs/dbraw/zinc/34/85/47/556348547.db2.gz GHRLUEXAYBZHOR-UHFFFAOYSA-N 0 1 442.922 5.160 50 0 IKAAMN CCn1nc(C)c(CNCc2cn(-c3ccc(OC)cc3)nc2-c2ccccc2Cl)c1C ZINC000011760779 556349356 /nfs/dbraw/zinc/34/93/56/556349356.db2.gz GYHTVMNBSYCRAB-UHFFFAOYSA-N 0 1 449.986 5.324 50 0 IKAAMN Cc1nn(CC(C)C)c2sc(C(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)cc12 ZINC000014014859 556355563 /nfs/dbraw/zinc/35/55/63/556355563.db2.gz BNJMLVZSQLEAJM-UHFFFAOYSA-N 0 1 445.032 5.110 50 0 IKAAMN COc1ccc(NC(=O)CC[C@H]2CCCN(Cc3nc4c(s3)CCCC4)C2)cc1Cl ZINC000011879125 556371725 /nfs/dbraw/zinc/37/17/25/556371725.db2.gz ZCHZWHOGOKMWRH-MRXNPFEDSA-N 0 1 448.032 5.315 50 0 IKAAMN COc1ccc(NC(=O)CC[C@@H]2CCCN(Cc3nc4c(s3)CCCC4)C2)cc1Cl ZINC000011879124 556371767 /nfs/dbraw/zinc/37/17/67/556371767.db2.gz ZCHZWHOGOKMWRH-INIZCTEOSA-N 0 1 448.032 5.315 50 0 IKAAMN Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCC(C(=O)N2CCCC2)CC1 ZINC000012002972 556385921 /nfs/dbraw/zinc/38/59/21/556385921.db2.gz OOPIVOCJBAUSCH-UHFFFAOYSA-N 0 1 429.564 5.151 50 0 IKAAMN Cc1nc2cc(NC(=O)[C@@H]3C[C@H](Sc4ccc(F)cc4)CN3C(C)C)ccc2s1 ZINC000012034561 556389240 /nfs/dbraw/zinc/38/92/40/556389240.db2.gz QCHINKUVPGPZHY-ICSRJNTNSA-N 0 1 429.586 5.326 50 0 IKAAMN Cc1cc(CN2CCC(Oc3cc(Cl)ccc3C(=O)N3CCCCC3)CC2)oc1C ZINC000012076715 556398010 /nfs/dbraw/zinc/39/80/10/556398010.db2.gz PXHHNSWANMWQIF-UHFFFAOYSA-N 0 1 430.976 5.219 50 0 IKAAMN O=C1c2cccc3cccc(c32)C(=O)N1CCCSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000012080459 556398536 /nfs/dbraw/zinc/39/85/36/556398536.db2.gz SKLDCFGRSYTZLQ-UHFFFAOYSA-N 0 1 448.935 5.057 50 0 IKAAMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC3CCCCC3)c(Cl)cc2Cl)c1 ZINC000013039657 556445720 /nfs/dbraw/zinc/44/57/20/556445720.db2.gz ZIYWHEMHJRKRQO-UHFFFAOYSA-N 0 1 441.380 5.165 50 0 IKAAMN Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)N2CCCCC2)cc1 ZINC000028288935 556448950 /nfs/dbraw/zinc/44/89/50/556448950.db2.gz PXCZHDQEISXTRL-NRFANRHFSA-N 0 1 438.955 5.020 50 0 IKAAMN Cc1c(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)oc2cc(C)cc(C)c12 ZINC000028289195 556449193 /nfs/dbraw/zinc/44/91/93/556449193.db2.gz TZBWGPUQPSMBCB-HSZRJFAPSA-N 0 1 432.608 6.222 50 0 IKAAMN Cc1cc2oc(C(=O)NC[C@@H](c3cccs3)N3CCCCCC3)cc(=O)c2cc1Cl ZINC000028289971 556449462 /nfs/dbraw/zinc/44/94/62/556449462.db2.gz OXBUSWUEBGMSCO-SFHVURJKSA-N 0 1 444.984 5.163 50 0 IKAAMN CCc1ccc2oc(C(=O)NC[C@@H](c3ccc(C(C)C)cc3)N3CCCCC3)cc(=O)c2c1 ZINC000028293021 556450678 /nfs/dbraw/zinc/45/06/78/556450678.db2.gz XXHLNCATNXENBM-DEOSSOPVSA-N 0 1 446.591 5.436 50 0 IKAAMN CCc1ccc2oc(C(=O)NC[C@H](c3ccc(C(C)C)cc3)N3CCCCC3)cc(=O)c2c1 ZINC000028293018 556450796 /nfs/dbraw/zinc/45/07/96/556450796.db2.gz XXHLNCATNXENBM-XMMPIXPASA-N 0 1 446.591 5.436 50 0 IKAAMN Cc1ccc2nc(S[C@H](C)C(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)[nH]c2c1 ZINC000013076278 556455985 /nfs/dbraw/zinc/45/59/85/556455985.db2.gz RCBNMAPXMJAXQV-LLVKDONJSA-N 0 1 430.505 5.392 50 0 IKAAMN CCN(CC)[C@H](CNC(=O)C1c2ccccc2Oc2ccccc21)c1ccccc1Cl ZINC000013096332 556456998 /nfs/dbraw/zinc/45/69/98/556456998.db2.gz VXTGXGWIYYUIMN-JOCHJYFZSA-N 0 1 434.967 5.777 50 0 IKAAMN C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013113048 556466118 /nfs/dbraw/zinc/46/61/18/556466118.db2.gz REQNZIJYUJRAOS-SNVBAGLBSA-N 0 1 426.851 5.263 50 0 IKAAMN Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCC[C@@H](CN2CCCC2=O)C1 ZINC000014972914 556467402 /nfs/dbraw/zinc/46/74/02/556467402.db2.gz NGRIOSMRYHKEBT-OAQYLSRUSA-N 0 1 429.564 5.151 50 0 IKAAMN Cc1nn(C)c(Cl)c1CN1CCC[C@H](CCC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000014975542 556468350 /nfs/dbraw/zinc/46/83/50/556468350.db2.gz OWCZHPWZBKUQEG-OAHLLOKOSA-N 0 1 442.913 5.032 50 0 IKAAMN Cc1nn(C)c(Cl)c1CN1CCC[C@@H](CCC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000014975539 556468360 /nfs/dbraw/zinc/46/83/60/556468360.db2.gz OWCZHPWZBKUQEG-HNNXBMFYSA-N 0 1 442.913 5.032 50 0 IKAAMN C[C@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)c1ccc2c(c1)CCC2 ZINC000013118000 556471026 /nfs/dbraw/zinc/47/10/26/556471026.db2.gz QCPZQMSSLJTXMT-LBPRGKRZSA-N 0 1 428.355 5.086 50 0 IKAAMN O=C(CCC1CCN(Cc2nc3ccccc3[nH]2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000015073265 556497435 /nfs/dbraw/zinc/49/74/35/556497435.db2.gz HHXZYASAQGSLBQ-UHFFFAOYSA-N 0 1 444.623 5.036 50 0 IKAAMN COc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)[nH]2)cc1Br ZINC000013534417 556513266 /nfs/dbraw/zinc/51/32/66/556513266.db2.gz ONJMRYHJSXTVRO-UHFFFAOYSA-N 0 1 439.740 6.835 50 0 IKAAMN Clc1cccc(Cl)c1-c1nc(-c2ccc(Br)cc2)c(-c2ccccc2)[nH]1 ZINC000013564326 556518202 /nfs/dbraw/zinc/51/82/02/556518202.db2.gz JMSISQDZSZOGPB-UHFFFAOYSA-N 0 1 444.159 7.480 50 0 IKAAMN COc1ccc(-c2nc(-c3cccc(Cl)c3Cl)c(-c3ccccc3)[nH]2)c(OC)c1C ZINC000013582139 556528423 /nfs/dbraw/zinc/52/84/23/556528423.db2.gz MFPKMPAQLOMMTE-UHFFFAOYSA-N 0 1 439.342 7.043 50 0 IKAAMN COc1ccc(Br)cc1-c1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)[nH]1 ZINC000013597693 556532378 /nfs/dbraw/zinc/53/23/78/556532378.db2.gz ZVPYKOWEDBSDMA-UHFFFAOYSA-N 0 1 439.740 6.835 50 0 IKAAMN O=c1c2ccc(OCCN3CCCCC3)cc2occ1-c1ccc(Br)cc1 ZINC000013608976 556534114 /nfs/dbraw/zinc/53/41/14/556534114.db2.gz CSHVEALXUCMAKG-UHFFFAOYSA-N 0 1 428.326 5.087 50 0 IKAAMN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3cccs3)on2)cc1F ZINC000015833069 556554887 /nfs/dbraw/zinc/55/48/87/556554887.db2.gz CSGXKJBMDHSDFO-UHFFFAOYSA-N 0 1 446.459 6.080 50 0 IKAAMN Cc1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)cc1C ZINC000015913307 556563436 /nfs/dbraw/zinc/56/34/36/556563436.db2.gz LDPKRCUGAPGTGH-UHFFFAOYSA-N 0 1 449.359 5.663 50 0 IKAAMN CC(C)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccccc4)cc2)N3)C1 ZINC000015946367 556567314 /nfs/dbraw/zinc/56/73/14/556567314.db2.gz GCEMVDDEIAMELI-JOCHJYFZSA-N 0 1 447.560 5.163 50 0 IKAAMN CC(C)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(Cl)cc4)o2)N3)C1 ZINC000015946387 556567446 /nfs/dbraw/zinc/56/74/46/556567446.db2.gz JACKSZJIJSXWCP-HXUWFJFHSA-N 0 1 427.957 5.857 50 0 IKAAMN COc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2Cc2ccccc2Cl)cc(OC)c1OC ZINC000016033828 556577090 /nfs/dbraw/zinc/57/70/90/556577090.db2.gz FHCDSSAQYVTDRX-RZPHLTDDSA-N 0 1 445.987 5.234 50 0 biogenic,in-vitro IKAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000016310644 556599656 /nfs/dbraw/zinc/59/96/56/556599656.db2.gz MRYQMGUQQZXSTJ-UHFFFAOYSA-N 0 1 434.439 5.067 50 0 IKAAMN O=C(Nc1cccc(Cl)c1)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)cs1 ZINC000016320135 556600117 /nfs/dbraw/zinc/60/01/17/556600117.db2.gz QLSVKEJNFVYGNN-UHFFFAOYSA-N 0 1 427.334 5.108 50 0 IKAAMN Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)C1 ZINC000005044195 556627100 /nfs/dbraw/zinc/62/71/00/556627100.db2.gz LAPRBDWKIGWNPR-NBHGPNQESA-N 0 1 429.992 5.210 50 0 IKAAMN CCc1ccc(-c2nc(CN3CCC(C(=O)NC4CCCCCCC4)CC3)c(C)o2)cc1 ZINC000005043519 556627225 /nfs/dbraw/zinc/62/72/25/556627225.db2.gz KVYVPDDMHQJGMV-UHFFFAOYSA-N 0 1 437.628 5.654 50 0 IKAAMN CCc1ccc(-c2nc(CN3CCC[C@H](C(=O)NC4CCCCCCC4)C3)c(C)o2)cc1 ZINC000005055865 556627680 /nfs/dbraw/zinc/62/76/80/556627680.db2.gz CNRSWHKAKMCBJK-QHCPKHFHSA-N 0 1 437.628 5.654 50 0 IKAAMN COc1cc(Cl)c(S(=O)(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc1Cl ZINC000016780417 556641345 /nfs/dbraw/zinc/64/13/45/556641345.db2.gz LAKSMPIUGZOORZ-UHFFFAOYSA-N 0 1 448.331 5.118 50 0 IKAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@@H](c2ccccc2F)N(Cc2cccnc2)C3=O)cc1Cl ZINC000017027213 556653604 /nfs/dbraw/zinc/65/36/04/556653604.db2.gz CUUGTDRTVUCLIM-HSZRJFAPSA-N 0 1 448.885 5.024 50 0 IKAAMN Cc1oc(-c2cccc(C)c2)nc1CN1CCC[C@@H](C(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000248108137 556662960 /nfs/dbraw/zinc/66/29/60/556662960.db2.gz RKGGBSVKGXHFPX-NOZRDPDXSA-N 0 1 443.591 5.364 50 0 IKAAMN CC(=O)N(c1nc(CSc2n[nH]c(CC3CCCC3)n2)cs1)c1ccccc1F ZINC000011885815 556668721 /nfs/dbraw/zinc/66/87/21/556668721.db2.gz NMHQDZHMZAUPIZ-UHFFFAOYSA-N 0 1 431.562 5.110 50 0 IKAAMN CC(=O)N(c1nc(CSc2nc(CC3CCCC3)n[nH]2)cs1)c1ccccc1F ZINC000011885815 556668722 /nfs/dbraw/zinc/66/87/22/556668722.db2.gz NMHQDZHMZAUPIZ-UHFFFAOYSA-N 0 1 431.562 5.110 50 0 IKAAMN CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1N1CCN(Cc2ccccc2)CC1 ZINC000054214476 556729462 /nfs/dbraw/zinc/72/94/62/556729462.db2.gz RWQJIZYNELOIRP-UHFFFAOYSA-N 0 1 444.362 5.041 50 0 IKAAMN O=C(c1ccccc1OC1CCN(Cc2ccccc2C(F)(F)F)CC1)N1CCCCC1 ZINC000055198459 556737690 /nfs/dbraw/zinc/73/76/90/556737690.db2.gz SKAYDVLFPAGLMO-UHFFFAOYSA-N 0 1 446.513 5.375 50 0 IKAAMN Cc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)c(Cl)cc2Cl)cc1 ZINC000002642732 556801941 /nfs/dbraw/zinc/80/19/41/556801941.db2.gz FUYYMQSDIWJPDC-UHFFFAOYSA-N 0 1 449.359 5.663 50 0 IKAAMN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)N2CCCc3ccccc32)c1C ZINC000003216512 556805124 /nfs/dbraw/zinc/80/51/24/556805124.db2.gz PVMLKDSDUVCZRL-UHFFFAOYSA-N 0 1 448.588 5.314 50 0 IKAAMN O=C(NCC1CCCCC1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000003217357 556805401 /nfs/dbraw/zinc/80/54/01/556805401.db2.gz USIAOXGNQISQRG-UHFFFAOYSA-N 0 1 441.380 5.104 50 0 IKAAMN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000019607710 556831188 /nfs/dbraw/zinc/83/11/88/556831188.db2.gz OTFVIQMRVGDLTO-UHFFFAOYSA-N 0 1 446.501 5.359 50 0 IKAAMN O=S(=O)(Nc1ccc(Cl)cc1F)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004831 556831962 /nfs/dbraw/zinc/83/19/62/556831962.db2.gz NQNOKSYFPSLEOO-UHFFFAOYSA-N 0 1 426.922 5.654 50 0 IKAAMN Cc1[nH]c(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)nc1Cc1ccccc1 ZINC000008719414 556843203 /nfs/dbraw/zinc/84/32/03/556843203.db2.gz MPSUIMOJXKFHRB-UHFFFAOYSA-N 0 1 439.890 5.712 50 0 IKAAMN COc1ccc([C@H]2CC(c3c(O)ccc4c(C)cc(=O)oc43)=Nc3ccccc3N2)cc1O ZINC000068752401 556849732 /nfs/dbraw/zinc/84/97/32/556849732.db2.gz DLTCPHBBTXCVBH-LJQANCHMSA-N 0 1 442.471 5.199 50 0 IKAAMN COc1ccc(OC)c(S(=O)(=O)Nc2cccc(-c3cc4cc(Cl)ccc4[nH]3)c2)c1 ZINC000033106128 556858498 /nfs/dbraw/zinc/85/84/98/556858498.db2.gz WIMLYWGAFYECJS-UHFFFAOYSA-N 0 1 442.924 5.306 50 0 IKAAMN O=C(NCC1CCN(Cc2cccc(Cl)c2)CC1)[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000033126156 556866700 /nfs/dbraw/zinc/86/67/00/556866700.db2.gz ZGHURYTYLBEGMH-QHCPKHFHSA-N 0 1 435.999 5.270 50 0 IKAAMN O=C(NCC1CCN(Cc2cccc(Cl)c2)CC1)[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000033126154 556866751 /nfs/dbraw/zinc/86/67/51/556866751.db2.gz ZGHURYTYLBEGMH-HSZRJFAPSA-N 0 1 435.999 5.270 50 0 IKAAMN COc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)Nc1ccc(C)c(Cl)c1 ZINC000033173499 556883265 /nfs/dbraw/zinc/88/32/65/556883265.db2.gz UXGXFKKPRPXNOW-UHFFFAOYSA-N 0 1 446.834 5.132 50 0 IKAAMN Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)Nc1ccc(C)cc1Cl ZINC000033173837 556883796 /nfs/dbraw/zinc/88/37/96/556883796.db2.gz QYSPOSJRFKWMIO-UHFFFAOYSA-N 0 1 435.880 5.228 50 0 IKAAMN Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)Nc1cc(Cl)ccc1C ZINC000033173786 556883951 /nfs/dbraw/zinc/88/39/51/556883951.db2.gz KTMVDNYUCHMVEH-UHFFFAOYSA-N 0 1 435.880 5.228 50 0 IKAAMN Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)Nc1cc(Cl)ccc1C ZINC000033173786 556883954 /nfs/dbraw/zinc/88/39/54/556883954.db2.gz KTMVDNYUCHMVEH-UHFFFAOYSA-N 0 1 435.880 5.228 50 0 IKAAMN Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)Nc1ccc(Cl)cc1C ZINC000033173785 556883959 /nfs/dbraw/zinc/88/39/59/556883959.db2.gz BYXBHSJOQNUPAB-UHFFFAOYSA-N 0 1 435.880 5.228 50 0 IKAAMN Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)Nc1ccc(Cl)cc1C ZINC000033173785 556883962 /nfs/dbraw/zinc/88/39/62/556883962.db2.gz BYXBHSJOQNUPAB-UHFFFAOYSA-N 0 1 435.880 5.228 50 0 IKAAMN CCOc1ccccc1CN(CCc1ccc2c(c1)OCO2)Cc1cccc(OC)c1OC ZINC000019841343 556929878 /nfs/dbraw/zinc/92/98/78/556929878.db2.gz VHJPMBFXSFVNMW-UHFFFAOYSA-N 0 1 449.547 5.076 50 0 biogenic IKAAMN CCOc1ccc2nc(S[C@H](C(=O)NCc3ccc(F)cc3)c3ccccc3)[nH]c2c1 ZINC000019926681 556945044 /nfs/dbraw/zinc/94/50/44/556945044.db2.gz FXQKQRGYKMYIHQ-QFIPXVFZSA-N 0 1 435.524 5.251 50 0 IKAAMN CCOc1ccc2nc(S[C@@H](C(=O)NCc3ccc(F)cc3)c3ccccc3)[nH]c2c1 ZINC000019926678 556945071 /nfs/dbraw/zinc/94/50/71/556945071.db2.gz FXQKQRGYKMYIHQ-JOCHJYFZSA-N 0 1 435.524 5.251 50 0 IKAAMN CCCN(Cc1ccc(Cl)cc1)Cc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000046032254 557024649 /nfs/dbraw/zinc/02/46/49/557024649.db2.gz FBVFOTTZJKLHAQ-UHFFFAOYSA-N 0 1 431.005 5.264 50 0 IKAAMN CCOc1ccc(-n2c3nc(SCc4ccccc4)[nH]c(=O)c3sc2=S)cc1 ZINC000017315337 557053111 /nfs/dbraw/zinc/05/31/11/557053111.db2.gz NSHAURYANURPAD-UHFFFAOYSA-N 0 1 427.576 5.196 50 0 IKAAMN C[C@@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000017314968 557053133 /nfs/dbraw/zinc/05/31/33/557053133.db2.gz JNKJUTUSUVTHDC-CQSZACIVSA-N 0 1 433.766 6.750 50 0 IKAAMN O=c1cc(CN2CCC(c3c[nH]c4ccccc43)CC2)nc2scc(-c3ccccc3)n21 ZINC000048286629 557058446 /nfs/dbraw/zinc/05/84/46/557058446.db2.gz YQKNAPNJLIZIDL-UHFFFAOYSA-N 0 1 440.572 5.284 50 0 IKAAMN CC(=O)Nc1cc(C(=O)O[C@@H](c2nc3ccc(Cl)cc3[nH]2)c2ccccc2)ccc1C ZINC000048325857 557066612 /nfs/dbraw/zinc/06/66/12/557066612.db2.gz RCTPVFZNDSKNMV-JOCHJYFZSA-N 0 1 433.895 5.430 50 0 IKAAMN O=C1S/C(=C/c2cc(Br)cc(Cl)c2O)C(=O)N1Cc1ccc(F)cc1 ZINC000033293722 557076321 /nfs/dbraw/zinc/07/63/21/557076321.db2.gz AZCBVJBTLIPDEW-MKMNVTDBSA-N 0 1 442.693 5.184 50 0 IKAAMN CCc1cccc(NS(=O)(=O)c2c(C)sc(C)c2-c2cc(C(F)(F)F)on2)c1 ZINC000033299373 557078049 /nfs/dbraw/zinc/07/80/49/557078049.db2.gz SFADETKJWSYVPW-UHFFFAOYSA-N 0 1 430.473 5.402 50 0 IKAAMN CSc1cccc(NS(=O)(=O)c2c(C)sc(C)c2-c2cc(C(F)(F)F)on2)c1 ZINC000033299367 557078053 /nfs/dbraw/zinc/07/80/53/557078053.db2.gz UKBJYVDMICEMSL-UHFFFAOYSA-N 0 1 448.513 5.561 50 0 IKAAMN Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCC(OCc2ccccn2)CC1 ZINC000023338215 557085255 /nfs/dbraw/zinc/08/52/55/557085255.db2.gz DPJPFBIYBQYBOJ-UHFFFAOYSA-N 0 1 439.559 5.893 50 0 IKAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3cccc(Br)c3)c(C)s2)cs1 ZINC000033308428 557088839 /nfs/dbraw/zinc/08/88/39/557088839.db2.gz KIROEQHDEVGVHW-UHFFFAOYSA-N 0 1 429.386 5.052 50 0 IKAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(Br)c(C)c3)c(C)s2)cs1 ZINC000033308408 557088900 /nfs/dbraw/zinc/08/89/00/557088900.db2.gz QJWRPZRQVKEQSX-UHFFFAOYSA-N 0 1 443.413 5.360 50 0 IKAAMN COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2cccc3ccccc32)cc1 ZINC000002421445 557130236 /nfs/dbraw/zinc/13/02/36/557130236.db2.gz KYVWHOUGNSMFTK-RYRVMRHHSA-N 0 1 444.575 5.155 50 0 IKAAMN COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2cccc3ccccc32)cc1 ZINC000002421445 557130239 /nfs/dbraw/zinc/13/02/39/557130239.db2.gz KYVWHOUGNSMFTK-RYRVMRHHSA-N 0 1 444.575 5.155 50 0 IKAAMN CC[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(c1nc(-c3ccc(OC)cc3)cs1)[NH2+]2 ZINC000016957498 557158851 /nfs/dbraw/zinc/15/88/51/557158851.db2.gz VJMQHCUMDADTEK-PEELUZDISA-N 0 1 425.476 5.072 50 0 IKAAMN CCOc1ccc(-n2c3nc(SCc4ccccc4C)[nH]c(=O)c3sc2=S)cc1 ZINC000000753019 557168637 /nfs/dbraw/zinc/16/86/37/557168637.db2.gz DMVKXXQKSZQKLP-UHFFFAOYSA-N 0 1 441.603 5.504 50 0 IKAAMN Cc1oc(-c2cccs2)nc1CC(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000025038164 557189942 /nfs/dbraw/zinc/18/99/42/557189942.db2.gz HPTSNICHLTWGRU-QHCPKHFHSA-N 0 1 428.517 5.036 50 0 IKAAMN Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)c2[nH]nc3ccccc32)cc1C ZINC000025105317 557195476 /nfs/dbraw/zinc/19/54/76/557195476.db2.gz BMSYCCDQPQTQAK-UHFFFAOYSA-N 0 1 435.531 5.305 50 0 IKAAMN COc1cccc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(C)=O)c1 ZINC000100971929 557208883 /nfs/dbraw/zinc/20/88/83/557208883.db2.gz IAEIIBHELACHGY-KMRXNPHXSA-N 0 1 438.527 6.265 50 0 IKAAMN COc1cccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(C)=O)c1 ZINC000100971935 557209008 /nfs/dbraw/zinc/20/90/08/557209008.db2.gz IAEIIBHELACHGY-LYZGTLIUSA-N 0 1 438.527 6.265 50 0 IKAAMN O=C1C2[C@H](c3ccccc3)N[C@H](c3ccccc3)C1[C@H](c1ccccc1)N[C@@H]2c1ccccc1 ZINC000097797809 557226298 /nfs/dbraw/zinc/22/62/98/557226298.db2.gz ITTQAMYBEGYMAS-YDUVBQQJSA-N 0 1 444.578 5.960 50 0 in-vitro IKAAMN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018085239 557235940 /nfs/dbraw/zinc/23/59/40/557235940.db2.gz CZUDJILWSYVQCR-ZLNRFVROSA-N 0 1 432.907 5.008 50 0 IKAAMN CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1cccc(Br)c1 ZINC000101100740 557255162 /nfs/dbraw/zinc/25/51/62/557255162.db2.gz PCWCLNAJFGJURE-QFIPXVFZSA-N 0 1 439.353 6.262 50 0 IKAAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H]1Nc2ccccc2C(=O)N1c1ccccc1Cl ZINC000100288284 557256751 /nfs/dbraw/zinc/25/67/51/557256751.db2.gz XSPRRCOZJOVUOX-QFIPXVFZSA-N 0 1 430.895 5.311 50 0 IKAAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000100426939 557260749 /nfs/dbraw/zinc/26/07/49/557260749.db2.gz DQHZFFNZBCXZDN-NSYGIPOTSA-N 0 1 432.907 6.503 50 0 IKAAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000100426937 557260802 /nfs/dbraw/zinc/26/08/02/557260802.db2.gz DQHZFFNZBCXZDN-GKVSMKOHSA-N 0 1 432.907 6.503 50 0 IKAAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000100426943 557260829 /nfs/dbraw/zinc/26/08/29/557260829.db2.gz DQHZFFNZBCXZDN-SSOJOUAXSA-N 0 1 432.907 6.503 50 0 IKAAMN Cc1c2cc(F)ccc2oc1C(=O)NC[C@H](c1ccccc1Cl)N1CCCCCC1 ZINC000027581937 557266512 /nfs/dbraw/zinc/26/65/12/557266512.db2.gz QFICAYOSCHINED-OAQYLSRUSA-N 0 1 428.935 5.881 50 0 IKAAMN Cc1ccc(CN2CCN(c3cc(C(C)C)nc4c(-c5ccccc5)cnn43)CC2)c(C)c1 ZINC000027585274 557266804 /nfs/dbraw/zinc/26/68/04/557266804.db2.gz YHDKQCZEJDIFAV-UHFFFAOYSA-N 0 1 439.607 5.459 50 0 IKAAMN CCCc1cc(N2CCN(Cc3ccc(C)cc3C)CC2)n2ncc(-c3ccccc3)c2n1 ZINC000027585179 557266939 /nfs/dbraw/zinc/26/69/39/557266939.db2.gz APAMRCXYOOGRIB-UHFFFAOYSA-N 0 1 439.607 5.288 50 0 IKAAMN COc1ccc([C@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)N2CCCCCC2)cc1 ZINC000027664221 557270227 /nfs/dbraw/zinc/27/02/27/557270227.db2.gz ZJYJHEPIQHFFOD-QFIPXVFZSA-N 0 1 440.971 5.750 50 0 IKAAMN O=C(C1CC1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccs1 ZINC000101373344 557275487 /nfs/dbraw/zinc/27/54/87/557275487.db2.gz BRHVXVCDVNHEPY-NIYFSFCBSA-N 0 1 440.568 6.708 50 0 IKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccc(F)c1 ZINC000101373525 557276594 /nfs/dbraw/zinc/27/65/94/557276594.db2.gz DBAXYIIMUYORRC-WTYVLRPYSA-N 0 1 440.518 6.786 50 0 IKAAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C)cc3)C2)[C@@H]1c1cccc(F)c1 ZINC000101433461 557285456 /nfs/dbraw/zinc/28/54/56/557285456.db2.gz VJHKNBKSARUQMQ-KMRXNPHXSA-N 0 1 440.518 6.704 50 0 IKAAMN COc1ccccc1Nc1c2cc(NC(=O)CCC3CCCC3)ccc2nc2c1CCCC2 ZINC000101482963 557287953 /nfs/dbraw/zinc/28/79/53/557287953.db2.gz FBYNMOKOGKDZFU-UHFFFAOYSA-N 0 1 443.591 6.775 50 0 IKAAMN CCCCN(CC)C(=O)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)[nH]n2)cc1 ZINC000023326203 557310936 /nfs/dbraw/zinc/31/09/36/557310936.db2.gz JNLIOHUENMPJEM-UHFFFAOYSA-N 0 1 430.596 5.996 50 0 IKAAMN O=C(Cc1csc(-c2ccsc2)n1)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000032841401 557316811 /nfs/dbraw/zinc/31/68/11/557316811.db2.gz MXWQIQAJGINEMD-LJQANCHMSA-N 0 1 432.014 5.021 50 0 IKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000102481044 557330596 /nfs/dbraw/zinc/33/05/96/557330596.db2.gz CUXOBOVWMVSPFU-NGOKVRLYSA-N 0 1 440.518 6.786 50 0 IKAAMN CC1CCN(C(=O)c2ccc(-c3cc(-c4ccc(N5CCCCC5)cc4)[nH]n3)cc2)CC1 ZINC000023328582 557338118 /nfs/dbraw/zinc/33/81/18/557338118.db2.gz FCWZIRFGUXJDKG-UHFFFAOYSA-N 0 1 428.580 5.606 50 0 IKAAMN O=C(NCCSCc1ccco1)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000023433424 557355976 /nfs/dbraw/zinc/35/59/76/557355976.db2.gz OJHBGEKLYWWJMF-UHFFFAOYSA-N 0 1 437.952 5.653 50 0 IKAAMN Cc1ccccc1CNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023449554 557356564 /nfs/dbraw/zinc/35/65/64/557356564.db2.gz ZIHSQLVDCACKLU-UHFFFAOYSA-N 0 1 436.342 6.289 50 0 IKAAMN O=C(NCc1ccco1)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)[nH]n2)cc1 ZINC000023441496 557357978 /nfs/dbraw/zinc/35/79/78/557357978.db2.gz TXDXBCDBIQLUQX-UHFFFAOYSA-N 0 1 426.520 5.257 50 0 IKAAMN COc1ccc([C@H](C)NC(=O)c2ccc(-c3cc(-c4cccc(OC)c4)n[nH]3)cc2)cc1 ZINC000023446645 557358943 /nfs/dbraw/zinc/35/89/43/557358943.db2.gz QGZLMCHRFZSJKI-KRWDZBQOSA-N 0 1 427.504 5.252 50 0 IKAAMN O=C(NCCc1cccs1)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1 ZINC000023452328 557361464 /nfs/dbraw/zinc/36/14/64/557361464.db2.gz BDBIZHMBGQGIBV-UHFFFAOYSA-N 0 1 441.478 5.797 50 0 IKAAMN O=C(NCc1cccc(Cl)c1)c1ccc(-c2n[nH]c3c2CCCc2ccccc2-3)cc1 ZINC000023452974 557361485 /nfs/dbraw/zinc/36/14/85/557361485.db2.gz OOBBVLOAKAPGDB-UHFFFAOYSA-N 0 1 427.935 5.816 50 0 IKAAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102653685 557361697 /nfs/dbraw/zinc/36/16/97/557361697.db2.gz QQXFLCVXVIZOCK-AREMUKBSSA-N 0 1 430.592 7.187 50 0 IKAAMN O=C(NCc1ccc(F)c(F)c1)c1ccc(-c2n[nH]c3c2CCCc2ccccc2-3)cc1 ZINC000023454787 557362133 /nfs/dbraw/zinc/36/21/33/557362133.db2.gz YSCYWZJOVZKCEG-UHFFFAOYSA-N 0 1 429.470 5.441 50 0 IKAAMN O=C(N[C@H]1CCc2ccccc21)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1 ZINC000023457957 557363291 /nfs/dbraw/zinc/36/32/91/557363291.db2.gz PKDQYDYGHXHAIL-QFIPXVFZSA-N 0 1 447.460 6.180 50 0 IKAAMN COc1ccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000102775246 557382367 /nfs/dbraw/zinc/38/23/67/557382367.db2.gz SIEROZRAJQYOLF-HFJWLAOPSA-N 0 1 428.488 5.858 50 0 IKAAMN COc1cccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)c1 ZINC000102875806 557397199 /nfs/dbraw/zinc/39/71/99/557397199.db2.gz NQGDHBVPLXMRLW-NRFANRHFSA-N 0 1 444.453 6.050 50 0 IKAAMN COc1cccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)c1 ZINC000102875810 557397236 /nfs/dbraw/zinc/39/72/36/557397236.db2.gz NQGDHBVPLXMRLW-OAQYLSRUSA-N 0 1 444.453 6.050 50 0 IKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000100429661 557402756 /nfs/dbraw/zinc/40/27/56/557402756.db2.gz DYWAUUYYCXLNMX-QUGAMOGWSA-N 0 1 446.934 6.893 50 0 IKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(OC)cc1 ZINC000100429569 557402808 /nfs/dbraw/zinc/40/28/08/557402808.db2.gz QPJOZWQOFMZQPP-MYUZEXMDSA-N 0 1 442.515 6.248 50 0 IKAAMN CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1cccc(OC)c1 ZINC000102877821 557407089 /nfs/dbraw/zinc/40/70/89/557407089.db2.gz HBTFKSGKHVPODJ-HHHXNRCGSA-N 0 1 446.591 7.068 50 0 IKAAMN CCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000102969869 557414281 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Cc1ccc(C(C)C)cc1Oc1ccc(Cl)cc1NC(=O)c1cc(Cl)ccc1O ZINC000002024059 562925643 /nfs/dbraw/zinc/92/56/43/562925643.db2.gz HAOZATDJHLNEBZ-UHFFFAOYSA-N 0 1 430.331 7.175 50 0 IKAAMN O=C(Nc1ccc(Oc2ccc3nsnc3c2)c(Cl)c1)c1cc(Cl)ccc1O ZINC000002217648 562926360 /nfs/dbraw/zinc/92/63/60/562926360.db2.gz YTZLCZFRTCWNEP-UHFFFAOYSA-N 0 1 432.288 5.748 50 0 IKAAMN CCOC(=O)c1c(N)sc(C(O)(C(F)(F)F)C(F)(F)F)c1-c1ccc(Cl)cc1 ZINC000003167495 562932612 /nfs/dbraw/zinc/93/26/12/562932612.db2.gz QWHKFJIMGCDDFZ-UHFFFAOYSA-N 0 1 447.784 5.140 50 0 IKAAMN CCc1ccc(-c2nc(SCC(=O)NC[C@@H]3CCCO3)c(-c3ccc(C)cc3)[nH]2)cc1 ZINC000008594963 562953148 /nfs/dbraw/zinc/95/31/48/562953148.db2.gz IRPABUMBRQSCJU-NRFANRHFSA-N 0 1 435.593 5.002 50 0 IKAAMN Cc1oc(-c2ccccc2C)nc1CN1CCC(C(=O)NCc2ccccc2Cl)CC1 ZINC000008597505 562953995 /nfs/dbraw/zinc/95/39/95/562953995.db2.gz ONUKZKVMJFOYII-UHFFFAOYSA-N 0 1 437.971 5.140 50 0 IKAAMN COc1ccccc1Nc1c2cc(NC(=O)c3ccccc3F)ccc2nc2c1CCCC2 ZINC000008599944 562954920 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5.973 50 0 IKAAMN O=C(NCCCc1ccccc1)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000025144382 568640675 /nfs/dbraw/zinc/64/06/75/568640675.db2.gz JTEOHNXQIFKQDF-UHFFFAOYSA-N 0 1 431.539 6.260 50 0 IKAAMN O=C(NCCc1ccc(F)cc1)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000025147277 568641397 /nfs/dbraw/zinc/64/13/97/568641397.db2.gz FALZVVDVQGJPAY-UHFFFAOYSA-N 0 1 435.502 6.009 50 0 IKAAMN CN(CCc1ccccn1)C(=O)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000025148247 568641405 /nfs/dbraw/zinc/64/14/05/568641405.db2.gz VXTDZXQPGQPGPR-UHFFFAOYSA-N 0 1 432.527 5.607 50 0 IKAAMN C[C@H](CCc1ccccc1)NC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000025148348 568641423 /nfs/dbraw/zinc/64/14/23/568641423.db2.gz CNTBWDCNQKCOJP-OAQYLSRUSA-N 0 1 445.566 6.648 50 0 IKAAMN O=C(NC1Cc2ccccc2C1)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000025149552 568642703 /nfs/dbraw/zinc/64/27/03/568642703.db2.gz MYDAWBDENYGVED-UHFFFAOYSA-N 0 1 429.523 5.794 50 0 IKAAMN O=C(NCc1ccc(F)c(F)c1)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000025150306 568643020 /nfs/dbraw/zinc/64/30/20/568643020.db2.gz MDRCTGROPBWBBV-UHFFFAOYSA-N 0 1 439.465 6.105 50 0 IKAAMN COc1ccc([C@H](C)NC(=O)c2ccc(-c3cc(-c4cccc5ccccc54)n[nH]3)cc2)cc1 ZINC000025152017 568643313 /nfs/dbraw/zinc/64/33/13/568643313.db2.gz QMDVXXNEPMXGTA-IBGZPJMESA-N 0 1 447.538 6.397 50 0 IKAAMN COc1cccc(-c2cc(-c3ccc(C(=O)N[C@@H](C)c4cccc5ccccc54)cc3)[nH]n2)c1 ZINC000025151693 568643393 /nfs/dbraw/zinc/64/33/93/568643393.db2.gz WFVIYJYBRISWPH-IBGZPJMESA-N 0 1 447.538 6.397 50 0 IKAAMN CCOC(=O)c1ccc2nc(C)cc(Nc3ccc(I)cc3)c2c1 ZINC000000952826 568645817 /nfs/dbraw/zinc/64/58/17/568645817.db2.gz IGTOZKAMVWYRBK-UHFFFAOYSA-N 0 1 432.261 5.068 50 0 IKAAMN COc1ccc(N[P@@](=O)(/C=C(/Cl)c2ccccc2)/C=C(\Cl)c2ccccc2)cc1 ZINC000012575177 568750715 /nfs/dbraw/zinc/75/07/15/568750715.db2.gz UUBQFIXBSNZLRK-SWRBISBUSA-N 0 1 444.298 7.860 50 0 IKAAMN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000001509299 568836075 /nfs/dbraw/zinc/83/60/75/568836075.db2.gz HRLFTHXSSINZAX-UHFFFAOYSA-N 0 1 435.332 5.355 50 0 IKAAMN CCOC(=O)c1ccc(/N=c2\oc3cc(O)ccc3cc2-c2nc3ccccc3[nH]2)cc1 ZINC000001515985 568839580 /nfs/dbraw/zinc/83/95/80/568839580.db2.gz HLLJQQYTSZEKLW-LCUIJRPUSA-N 0 1 425.444 5.091 50 0 IKAAMN CC(C)(C)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000006146041 568846221 /nfs/dbraw/zinc/84/62/21/568846221.db2.gz NNTJOBVKVCNQEX-UHFFFAOYSA-N 0 1 426.513 5.176 50 0 IKAAMN CCCCc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000006146072 568846428 /nfs/dbraw/zinc/84/64/28/568846428.db2.gz CAERDSISUHPWEA-UHFFFAOYSA-N 0 1 426.513 5.221 50 0 IKAAMN O=C(Nc1c2ccccc2oc1[C@H](c1ccc(Cl)cc1)N1CCCCC1)c1ccco1 ZINC000015859316 568847136 /nfs/dbraw/zinc/84/71/36/568847136.db2.gz KREWCCDZEJDJID-QHCPKHFHSA-N 0 1 434.923 6.507 50 0 IKAAMN O=C(Nc1c2ccccc2oc1[C@H](c1ccccc1Cl)N1CCCCC1)c1ccccc1 ZINC000015859502 568847445 /nfs/dbraw/zinc/84/74/45/568847445.db2.gz GLXGYGKOJJCKKS-VWLOTQADSA-N 0 1 444.962 6.914 50 0 IKAAMN CC1CCN([C@H](c2oc3ccccc3c2NC(=O)c2ccccc2)c2cccc(F)c2)CC1 ZINC000015859519 568847471 /nfs/dbraw/zinc/84/74/71/568847471.db2.gz FUJHBMODLPMDIT-SANMLTNESA-N 0 1 442.534 6.646 50 0 IKAAMN CC1CCN([C@@H](c2oc3ccccc3c2NC(=O)c2ccccc2)c2ccccc2F)CC1 ZINC000015859524 568847905 /nfs/dbraw/zinc/84/79/05/568847905.db2.gz KMRDPROUERTBGC-AREMUKBSSA-N 0 1 442.534 6.646 50 0 IKAAMN COc1ccc(CN(Cc2ccccc2)Cc2cc(=O)c3cc(C)ccc3[nH]2)cc1OC ZINC000015862342 568848599 /nfs/dbraw/zinc/84/85/99/568848599.db2.gz DRJMOJRTEAKFKU-UHFFFAOYSA-N 0 1 428.532 5.056 50 0 IKAAMN COc1ccc(CN(Cc2ccccc2)Cc2cc(=O)c3c(C)cc(C)cc3[nH]2)cc1OC ZINC000015862344 568848725 /nfs/dbraw/zinc/84/87/25/568848725.db2.gz YKYCIPMPHLHZPS-UHFFFAOYSA-N 0 1 442.559 5.365 50 0 IKAAMN CC1CCN(Cc2nc3cc(NC(=O)COc4ccccc4C(C)(C)C)ccc3n2C)CC1 ZINC000026121052 568852207 /nfs/dbraw/zinc/85/22/07/568852207.db2.gz MHXFEYMXVKGXPW-UHFFFAOYSA-N 0 1 448.611 5.120 50 0 IKAAMN CCN(C(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1cccc2ccccc21 ZINC000006176764 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O=C1C[C@H](c2ccc(OCc3ccc(F)cc3)cc2)c2c(n[nH]c2Nc2ccccc2)N1 ZINC000015085103 556502329 /nfs/dbraw/zinc/50/23/29/556502329.db2.gz UZXXYCCIQCUYAP-OAQYLSRUSA-N 0 1 428.467 5.346 50 0 IKAAMN COc1ccc(-c2[nH]c(-c3ccc(OC)c(Br)c3)nc2-c2ccccc2)cc1 ZINC000013534908 556513295 /nfs/dbraw/zinc/51/32/95/556513295.db2.gz VPLYMVFCSVJNJX-UHFFFAOYSA-N 0 1 435.321 6.190 50 0 IKAAMN COc1ccc(-c2nc(-c3cccc(Cl)c3)c(-c3ccccc3)[nH]2)cc1Br ZINC000013617948 556535877 /nfs/dbraw/zinc/53/58/77/556535877.db2.gz TVQXSQAXQLXCJR-UHFFFAOYSA-N 0 1 439.740 6.835 50 0 IKAAMN CC(C)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccccc4)cc2)N3)C1 ZINC000015946365 556567468 /nfs/dbraw/zinc/56/74/68/556567468.db2.gz GCEMVDDEIAMELI-QFIPXVFZSA-N 0 1 447.560 5.163 50 0 IKAAMN C[C@]1(O)CC(=O)[C@H](C(=O)c2ccccc2)[C@@H](c2ccc(Cl)cc2)[C@H]1C(=O)c1ccccc1 ZINC000000860866 556573441 /nfs/dbraw/zinc/57/34/41/556573441.db2.gz ORXBTMMYPIUXLC-HKQJZWTQSA-N 0 1 446.930 5.146 50 0 IKAAMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(COc2ccc(Cl)cc2)cc1 ZINC000032967243 556587944 /nfs/dbraw/zinc/58/79/44/556587944.db2.gz QHIVLRLOQJFRMW-QHCPKHFHSA-N 0 1 438.955 5.469 50 0 IKAAMN O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccc(COc2ccc(Cl)cc2)cc1 ZINC000032967241 556587965 /nfs/dbraw/zinc/58/79/65/556587965.db2.gz QHIVLRLOQJFRMW-HSZRJFAPSA-N 0 1 438.955 5.469 50 0 IKAAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OCc4ccccc4)c(OC)c2)N3)C1 ZINC000016193288 556589036 /nfs/dbraw/zinc/58/90/36/556589036.db2.gz UJRKDSHUDUJGIJ-QHCPKHFHSA-N 0 1 449.576 5.143 50 0 IKAAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OCc4ccccc4)c(OC)c2)N3)C1 ZINC000016193291 556589257 /nfs/dbraw/zinc/58/92/57/556589257.db2.gz UJRKDSHUDUJGIJ-HSZRJFAPSA-N 0 1 449.576 5.143 50 0 IKAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000016424986 556606296 /nfs/dbraw/zinc/60/62/96/556606296.db2.gz AASCOUSGBUCMMD-UHFFFAOYSA-N 0 1 442.540 5.715 50 0 IKAAMN O=C(CCCc1nc2ccccc2s1)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000032988534 556608713 /nfs/dbraw/zinc/60/87/13/556608713.db2.gz QTMUKPSFQAKAGY-HXUWFJFHSA-N 0 1 428.001 5.226 50 0 IKAAMN Fc1ccc(OC2=CCN(CCCN(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000039281602 556627694 /nfs/dbraw/zinc/62/76/94/556627694.db2.gz ORAFXRPIMNAPTG-UHFFFAOYSA-N 0 1 438.493 6.301 50 0 IKAAMN CCc1ccc(-c2nc(CN3CCC[C@H](C(=O)NCc4ccc(C)cc4)C3)c(C)o2)cc1 ZINC000005055945 556627809 /nfs/dbraw/zinc/62/78/09/556627809.db2.gz MMSRMUUDBVMILG-DEOSSOPVSA-N 0 1 431.580 5.049 50 0 IKAAMN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@@H](C(=O)NC2CCCCCC2)C1 ZINC000005056191 556628016 /nfs/dbraw/zinc/62/80/16/556628016.db2.gz AFCDIWFPIZGVAJ-LJQANCHMSA-N 0 1 429.992 5.354 50 0 IKAAMN CCc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccccc3OC)CC2)cc1 ZINC000037587689 556645919 /nfs/dbraw/zinc/64/59/19/556645919.db2.gz GJBKAGPUETZOJP-UHFFFAOYSA-N 0 1 428.576 5.569 50 0 IKAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@H](c2ccccc2F)N(Cc2cccnc2)C3=O)cc1Cl ZINC000017027211 556653628 /nfs/dbraw/zinc/65/36/28/556653628.db2.gz CUUGTDRTVUCLIM-QHCPKHFHSA-N 0 1 448.885 5.024 50 0 IKAAMN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2ccccc2)c(C)c1 ZINC000137609867 556697563 /nfs/dbraw/zinc/69/75/63/556697563.db2.gz UNPWUJZCWFCHDA-YTFSRNRJSA-N 0 1 432.907 5.008 50 0 IKAAMN O=C(Nc1ccccc1-c1ccccc1)N1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 ZINC000055107550 556735013 /nfs/dbraw/zinc/73/50/13/556735013.db2.gz LNPVJWNAAMDRBI-VWLOTQADSA-N 0 1 440.591 5.172 50 0 IKAAMN CCOC(=O)C1(Cc2ccccc2)CCN(Cc2ccc([C@@H]3CCCCO3)s2)CC1 ZINC000055358745 556740476 /nfs/dbraw/zinc/74/04/76/556740476.db2.gz PTTRHXDIGJDHOP-QFIPXVFZSA-N 0 1 427.610 5.378 50 0 IKAAMN O=C1CCCc2c3cc(Cl)ccc3n(CCN(Cc3ccccc3)Cc3ccccc3)c21 ZINC000055455742 556741537 /nfs/dbraw/zinc/74/15/37/556741537.db2.gz BBNHSUMBGDOGNV-UHFFFAOYSA-N 0 1 442.990 6.516 50 0 IKAAMN CCOc1ccc2nc(SCC(=O)Nc3cccn4cc(-c5ccccc5)nc34)[nH]c2c1 ZINC000072333686 556750156 /nfs/dbraw/zinc/75/01/56/556750156.db2.gz GLCIZMHMZXTHSP-UHFFFAOYSA-N 0 1 443.532 5.007 50 0 IKAAMN O=[P@@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)NCCc1ccccc1 ZINC000003164560 556803782 /nfs/dbraw/zinc/80/37/82/556803782.db2.gz BIHAPUMWPVXHHS-XPKROWLPSA-N 0 1 442.326 7.572 50 0 IKAAMN Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)Nc1ccc(C)c(F)c1 ZINC000064450483 556824217 /nfs/dbraw/zinc/82/42/17/556824217.db2.gz KLCYPJNOPNBRIV-UHFFFAOYSA-N 0 1 429.498 5.022 50 0 IKAAMN CCCOc1ccc(CN2CCC(=C(c3ccc(O)cc3)c3ccc(O)cc3)CC2)cc1 ZINC000096602151 556837726 /nfs/dbraw/zinc/83/77/26/556837726.db2.gz IDPYBMGFEUZIQI-UHFFFAOYSA-N 0 1 429.560 5.985 50 0 IKAAMN C[C@@H](Cc1ccccc1)NC(=O)C[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1O ZINC000096602630 556838329 /nfs/dbraw/zinc/83/83/29/556838329.db2.gz KEKOCMNQHRDKTP-OXJNMPFZSA-N 0 1 428.359 5.968 50 0 IKAAMN CCCC[C@H](CC)CNC(=O)C1CCC(Cn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000004657974 556858360 /nfs/dbraw/zinc/85/83/60/556858360.db2.gz UVFAVWISXXYGFK-VIQWUECVSA-N 0 1 429.630 5.198 50 0 IKAAMN COc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccccc4Cl)cc3)sc2c1 ZINC000033169210 556881830 /nfs/dbraw/zinc/88/18/30/556881830.db2.gz YSNAZABLVKFVEF-UHFFFAOYSA-N 0 1 430.938 5.426 50 0 IKAAMN Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)Nc1cccc(Cl)c1C ZINC000033173827 556884010 /nfs/dbraw/zinc/88/40/10/556884010.db2.gz BWQDCUYFPPRUNG-UHFFFAOYSA-N 0 1 435.880 5.228 50 0 IKAAMN Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)Nc1cccc(Cl)c1C ZINC000033173827 556884013 /nfs/dbraw/zinc/88/40/13/556884013.db2.gz BWQDCUYFPPRUNG-UHFFFAOYSA-N 0 1 435.880 5.228 50 0 IKAAMN CCn1c2ccccc2c2cc(CN3CCN(Cc4cc(OC)cc(OC)c4)CC3)ccc21 ZINC000019781986 556913651 /nfs/dbraw/zinc/91/36/51/556913651.db2.gz IUHCJXSJWDGWNH-UHFFFAOYSA-N 0 1 443.591 5.149 50 0 IKAAMN c1ccc(COc2cccc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c2)cc1 ZINC000019823050 556924656 /nfs/dbraw/zinc/92/46/56/556924656.db2.gz ADJQGUADZOMXAH-UHFFFAOYSA-N 0 1 448.610 6.173 50 0 IKAAMN CCOC(=O)c1ccc(NC(=O)[C@@H](Sc2nc3ccc(C)cc3[nH]2)c2ccccc2)cc1 ZINC000019926655 556944915 /nfs/dbraw/zinc/94/49/15/556944915.db2.gz HSXFRLNMCBMVDK-QFIPXVFZSA-N 0 1 445.544 5.520 50 0 IKAAMN Brc1ccc(OCc2ccccn2)c([C@@H]2NCCc3c4ccccc4[nH]c32)c1 ZINC000020111542 556986051 /nfs/dbraw/zinc/98/60/51/556986051.db2.gz JTWMFCPJMLUFQR-QFIPXVFZSA-N 0 1 434.337 5.140 50 0 biogenic IKAAMN Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCC[C@H](CN2CCCC2=O)C1 ZINC000020149239 556990787 /nfs/dbraw/zinc/99/07/87/556990787.db2.gz SBPTYAHTDGHEJF-NRFANRHFSA-N 0 1 445.563 5.277 50 0 IKAAMN CSc1ccc(C(=O)[C@@H]2CCCN(Cc3ccc4c(cccc4NC(C)=O)n3)C2)cc1 ZINC000020166719 556994056 /nfs/dbraw/zinc/99/40/56/556994056.db2.gz BAOHHHPXTCOJRR-LJQANCHMSA-N 0 1 433.577 5.010 50 0 IKAAMN COc1ccc(-c2nc(CN3CCC[C@H](c4nc5ccccc5o4)C3)c(C)o2)c(OC)c1C ZINC000020351470 557009095 /nfs/dbraw/zinc/00/90/95/557009095.db2.gz CUUYCJIZUVBXMH-SFHVURJKSA-N 0 1 447.535 5.496 50 0 IKAAMN Cc1nn(-c2ccc(C)c(C)c2)c2c1[C@H](C(=O)c1ccc(C3CCCCC3)cc1)CC(=O)N2 ZINC000046056851 557028449 /nfs/dbraw/zinc/02/84/49/557028449.db2.gz YZVWHVLHCUFSPR-XMMPIXPASA-N 0 1 441.575 6.154 50 0 IKAAMN Cc1ccc2nc(SCc3noc(CCC(=O)Nc4cccc(Cl)c4C)n3)[nH]c2c1 ZINC000033270718 557047348 /nfs/dbraw/zinc/04/73/48/557047348.db2.gz RKVPAXCJGKMNML-UHFFFAOYSA-N 0 1 441.944 5.080 50 0 IKAAMN Cc1ccc(NC(=O)CCc2nc(CSc3nc4ccc(Cl)cc4[nH]3)no2)c(C)c1 ZINC000033270997 557048620 /nfs/dbraw/zinc/04/86/20/557048620.db2.gz KRBGBJWFQKSGDM-UHFFFAOYSA-N 0 1 441.944 5.080 50 0 IKAAMN COc1cccc(CSc2nc3c(sc(=S)n3-c3ccc(C)cc3)c(=O)[nH]2)c1 ZINC000032948583 557056838 /nfs/dbraw/zinc/05/68/38/557056838.db2.gz KDDCDBTZBNJOGF-UHFFFAOYSA-N 0 1 427.576 5.114 50 0 IKAAMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2sc(-c3ccccc3)nc2C)CC1 ZINC000017365824 557074559 /nfs/dbraw/zinc/07/45/59/557074559.db2.gz JUUMXKAZCZHOIZ-UHFFFAOYSA-N 0 1 441.000 5.166 50 0 IKAAMN CC1=C(C(=O)OC2CCCCC2)[C@H](c2c(F)cccc2Cl)n2c(nc3ccccc32)N1 ZINC000004767999 557098574 /nfs/dbraw/zinc/09/85/74/557098574.db2.gz QKQNUXQQFNBGAU-JOCHJYFZSA-N 0 1 439.918 5.994 50 0 IKAAMN Fc1ccc(OC2=CCN(C[C@@H]3COC(c4ccccc4)(c4ccccc4)O3)CC2)cc1 ZINC000095918259 557161732 /nfs/dbraw/zinc/16/17/32/557161732.db2.gz FYZQRYJEDDUFJB-AREMUKBSSA-N 0 1 431.507 5.111 50 0 IKAAMN Cc1ccc(-c2nc(CC(=O)N[C@H](c3ccccc3)c3ccc4nc[nH]c4c3)cs2)cc1 ZINC000025035554 557189901 /nfs/dbraw/zinc/18/99/01/557189901.db2.gz OFVQQFXMJHPDSY-RUZDIDTESA-N 0 1 438.556 5.443 50 0 IKAAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(F)c1 ZINC000100967673 557208980 /nfs/dbraw/zinc/20/89/80/557208980.db2.gz FOGUVKOKUQBLPP-HRFSGMKKSA-N 0 1 426.491 6.396 50 0 IKAAMN CC[C@@H]1CCCC[N@H+]1C[C@H](C(C)=O)[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000025586042 557217562 /nfs/dbraw/zinc/21/75/62/557217562.db2.gz NMNHSZRPCOBOLX-KIFXHHALSA-N 0 1 433.548 5.100 50 0 IKAAMN C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000008004304 557229666 /nfs/dbraw/zinc/22/96/66/557229666.db2.gz MSLGAGZARNHVOI-HXUWFJFHSA-N 0 1 427.548 5.031 50 0 IKAAMN CC(C)OCCCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023321267 557232675 /nfs/dbraw/zinc/23/26/75/557232675.db2.gz XOSHBTBAECSXLX-UHFFFAOYSA-N 0 1 432.351 5.595 50 0 IKAAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)c3cccs3)[C@H]2c2ccccc2)C1 ZINC000100141903 557242590 /nfs/dbraw/zinc/24/25/90/557242590.db2.gz USGQSXKQMPPQEB-DEOSSOPVSA-N 0 1 428.557 6.854 50 0 IKAAMN Cc1c2cc(F)ccc2oc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCCCC1 ZINC000027581943 557266488 /nfs/dbraw/zinc/26/64/88/557266488.db2.gz QFICAYOSCHINED-NRFANRHFSA-N 0 1 428.935 5.881 50 0 IKAAMN O=C(Nc1cccc2ccccc21)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000022924022 557273568 /nfs/dbraw/zinc/27/35/68/557273568.db2.gz MVJSQPYQVXYGKK-UHFFFAOYSA-N 0 1 435.571 5.410 50 0 IKAAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C)cc3)C2)[C@H]1c1cccc(F)c1 ZINC000101433468 557285472 /nfs/dbraw/zinc/28/54/72/557285472.db2.gz VJHKNBKSARUQMQ-RBTNQOKQSA-N 0 1 440.518 6.704 50 0 IKAAMN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@H]3c3ccco3)C2)cc1 ZINC000101380641 557292280 /nfs/dbraw/zinc/29/22/80/557292280.db2.gz VJPJZXLIGRIPPM-DCFHFQCYSA-N 0 1 438.527 6.548 50 0 IKAAMN CC(C)CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000101998946 557311350 /nfs/dbraw/zinc/31/13/50/557311350.db2.gz MVWPTZPDKAOHEF-VWLOTQADSA-N 0 1 436.983 7.179 50 0 IKAAMN CCC[N@@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2[n-]c(-c3ccc(OC)cc3)cc2n1 ZINC000033126321 557324551 /nfs/dbraw/zinc/32/45/51/557324551.db2.gz DOUOZHQJAXYAIO-UHFFFAOYSA-N 0 1 444.579 5.234 50 0 IKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 ZINC000102481053 557330559 /nfs/dbraw/zinc/33/05/59/557330559.db2.gz CUXOBOVWMVSPFU-PIIWDFAUSA-N 0 1 440.518 6.786 50 0 IKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000102481040 557330590 /nfs/dbraw/zinc/33/05/90/557330590.db2.gz CUXOBOVWMVSPFU-MMTVBGGISA-N 0 1 440.518 6.786 50 0 IKAAMN CCCN(CC1CC1)C(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023328961 557338317 /nfs/dbraw/zinc/33/83/17/557338317.db2.gz FBWRHFRQCJIGIB-UHFFFAOYSA-N 0 1 428.363 6.313 50 0 IKAAMN C[C@H]1C[C@H](C)CN(C(=O)c2ccc(-c3cc(-c4cccc(C(F)(F)F)c4)[nH]n3)cc2)C1 ZINC000023331425 557344214 /nfs/dbraw/zinc/34/42/14/557344214.db2.gz WRILRQKKWQEZBK-HOTGVXAUSA-N 0 1 427.470 5.881 50 0 IKAAMN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000023436924 557354200 /nfs/dbraw/zinc/35/42/00/557354200.db2.gz SQTOSUKGZSWYMS-SFHVURJKSA-N 0 1 429.951 6.148 50 0 IKAAMN COc1cccc(-c2cc(-c3ccc(C(=O)N[C@@H](C)CCc4ccccc4)cc3)[nH]n2)c1 ZINC000023437816 557354592 /nfs/dbraw/zinc/35/45/92/557354592.db2.gz NTWLISDNUKHXMM-IBGZPJMESA-N 0 1 425.532 5.503 50 0 IKAAMN COc1cccc(-c2cc(-c3ccc(C(=O)NCCCCc4ccccc4)cc3)[nH]n2)c1 ZINC000023431623 557355467 /nfs/dbraw/zinc/35/54/67/557355467.db2.gz WTTPGYBAXDOENU-UHFFFAOYSA-N 0 1 425.532 5.505 50 0 IKAAMN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000023448577 557356301 /nfs/dbraw/zinc/35/63/01/557356301.db2.gz XCHYPALEBHRACG-HSZRJFAPSA-N 0 1 427.935 6.205 50 0 IKAAMN O=C(NCc1cccs1)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023449694 557356552 /nfs/dbraw/zinc/35/65/52/557356552.db2.gz BRNGTHQHDQLFTK-UHFFFAOYSA-N 0 1 428.344 6.042 50 0 IKAAMN COc1cccc(-c2cc(-c3ccc(C(=O)N4CC=C(c5ccccc5)CC4)cc3)[nH]n2)c1 ZINC000023449658 557356630 /nfs/dbraw/zinc/35/66/30/557356630.db2.gz LCECYHYSTGZCHF-UHFFFAOYSA-N 0 1 435.527 5.682 50 0 IKAAMN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(-c2n[nH]c3c2CCCc2ccccc2-3)cc1 ZINC000023451460 557357111 /nfs/dbraw/zinc/35/71/11/557357111.db2.gz LDSHOSKUYWUNBR-FQEVSTJZSA-N 0 1 435.571 5.984 50 0 IKAAMN O=C(NCCCCc1ccccc1)c1ccc(-c2n[nH]c3c2CCCc2ccccc2-3)cc1 ZINC000023447443 557359057 /nfs/dbraw/zinc/35/90/57/557359057.db2.gz ZRENHLFADGLRDA-UHFFFAOYSA-N 0 1 435.571 5.985 50 0 IKAAMN COc1cccc(-c2cc(-c3ccc(C(=O)N[C@H](C)c4cccc(OC)c4)cc3)[nH]n2)c1 ZINC000023447237 557359120 /nfs/dbraw/zinc/35/91/20/557359120.db2.gz SZBPKEISKSGTOE-QGZVFWFLSA-N 0 1 427.504 5.252 50 0 IKAAMN COc1ccc2c(c1)CCc1c(-c3ccc(C(=O)NCc4cc(F)cc(F)c4)cc3)n[nH]c1-2 ZINC000023459857 557360025 /nfs/dbraw/zinc/36/00/25/557360025.db2.gz LXTNRHITUHVMEO-UHFFFAOYSA-N 0 1 445.469 5.059 50 0 IKAAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102653683 557361735 /nfs/dbraw/zinc/36/17/35/557361735.db2.gz QQXFLCVXVIZOCK-SANMLTNESA-N 0 1 430.592 7.187 50 0 IKAAMN Fc1cccc(-c2cccc(-c3nc(CN4CCC(c5ccccc5)CC4)cs3)c2)c1 ZINC000023454575 557362205 /nfs/dbraw/zinc/36/22/05/557362205.db2.gz ASSZTMFSCNLTPC-UHFFFAOYSA-N 0 1 428.576 6.996 50 0 IKAAMN O=C(NCc1cccc(F)c1F)c1ccc(-c2n[nH]c3c2CCCc2ccccc2-3)cc1 ZINC000023455758 557362369 /nfs/dbraw/zinc/36/23/69/557362369.db2.gz ONGKSPXARFFGHK-UHFFFAOYSA-N 0 1 429.470 5.441 50 0 IKAAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(F)cc1 ZINC000104006125 557448807 /nfs/dbraw/zinc/44/88/07/557448807.db2.gz MHXRPKVZGJIWMS-SSOJOUAXSA-N 0 1 432.520 6.457 50 0 IKAAMN CSc1ccc([C@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCCCC2)cc1 ZINC000038545891 557591129 /nfs/dbraw/zinc/59/11/29/557591129.db2.gz VWSRIKURLXTAES-OAQYLSRUSA-N 0 1 426.607 6.199 50 0 IKAAMN CC(C)CCOc1ccc2[nH]c(-c3cc(NCCc4cn5c(n4)SCC5)ccn3)cc2c1 ZINC000225465602 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Cc1ccc(N(C2CCN(Cc3ccccc3)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000037560607 569201068 /nfs/dbraw/zinc/20/10/68/569201068.db2.gz XBLDVVXNGKPSLU-UHFFFAOYSA-N 0 1 434.605 5.163 50 0 IKAAMN COc1cccc(CN2CCC(N(C(=O)c3cccc(C)c3)c3ccc(F)cc3)CC2)c1 ZINC000037560765 569201073 /nfs/dbraw/zinc/20/10/73/569201073.db2.gz UVEHXSKEUIGAQV-UHFFFAOYSA-N 0 1 432.539 5.454 50 0 IKAAMN Cc1ccc(N(C2CCN(Cc3cccc(C)c3)CC2)S(=O)(=O)c2ccccc2C)cc1 ZINC000037570683 569201239 /nfs/dbraw/zinc/20/12/39/569201239.db2.gz DUSNVQYPAQWXTN-UHFFFAOYSA-N 0 1 448.632 5.472 50 0 IKAAMN O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1ccc(Cl)cc1 ZINC000002221435 569204608 /nfs/dbraw/zinc/20/46/08/569204608.db2.gz GMOLEWPZPCKANP-UHFFFAOYSA-N 0 1 443.684 5.869 50 0 IKAAMN Cc1nc(NCc2ccccn2)nc(N)c1/C=C\C(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000195759164 569205539 /nfs/dbraw/zinc/20/55/39/569205539.db2.gz DIEPDKOVWALKHY-QXMHVHEDSA-N 0 1 427.474 5.384 50 0 IKAAMN O=C1c2n[nH]c(-c3ccccc3)c2[C@H](c2ccc(O)cc2)N1CCc1c[nH]c2ccccc12 ZINC000066087609 569205566 /nfs/dbraw/zinc/20/55/66/569205566.db2.gz LPHVFPPNZGBCMN-SANMLTNESA-N 0 1 434.499 5.052 50 0 IKAAMN COc1ccc2nc(SCC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)[nH]c2c1 ZINC000002272721 569217721 /nfs/dbraw/zinc/21/77/21/569217721.db2.gz VCHPSCJKVVNDNZ-UHFFFAOYSA-N 0 1 426.582 5.847 50 0 IKAAMN CCc1ccc([C@H](CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)N2CCCC2)cc1 ZINC000238881502 569268590 /nfs/dbraw/zinc/26/85/90/569268590.db2.gz AFWAKGXUEAGBPV-SANMLTNESA-N 0 1 434.605 5.031 50 0 IKAAMN CCCCCn1c(NS(=O)(=O)c2ccc(Cl)cc2)cc2nc3ccccc3nc21 ZINC000002311569 569273049 /nfs/dbraw/zinc/27/30/49/569273049.db2.gz MMHYXIKZVXYNKD-UHFFFAOYSA-N 0 1 428.945 5.229 50 0 IKAAMN CC[C@@H]1CCCC[N@H+]1C[C@@H](C(C)=O)[C@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000254224105 569273704 /nfs/dbraw/zinc/27/37/04/569273704.db2.gz NMNHSZRPCOBOLX-SFLYRZDNSA-N 0 1 433.548 5.100 50 0 IKAAMN O=C(/C=C/c1ccccc1)Nc1c2ccccc2ccc1C(O)(C(F)(F)F)C(F)(F)F ZINC000002345269 569275350 /nfs/dbraw/zinc/27/53/50/569275350.db2.gz USOVUCLWUDDQKD-JLHYYAGUSA-N 0 1 439.355 5.804 50 0 IKAAMN COc1ccc2cc(CNCc3ccccc3Cl)c(-c3ccc(OC)c(OC)c3)nc2c1 ZINC000299767785 569283668 /nfs/dbraw/zinc/28/36/68/569283668.db2.gz KEWRTYSJFBOFOU-UHFFFAOYSA-N 0 1 448.950 5.871 50 0 IKAAMN CCOC(=O)c1nc(-c2ccccc2)oc1CSc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000078953721 569320517 /nfs/dbraw/zinc/32/05/17/569320517.db2.gz BMQMNPSHXYFYPO-UHFFFAOYSA-N 0 1 433.533 5.433 50 0 IKAAMN Cc1ccc(Cl)cc1N1CCN(Cc2ccccc2-c2nnc(-c3ccccc3)o2)CC1 ZINC000020178193 569354706 /nfs/dbraw/zinc/35/47/06/569354706.db2.gz XASLBCDAHQNMPF-UHFFFAOYSA-N 0 1 444.966 5.688 50 0 IKAAMN Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000020240717 569357788 /nfs/dbraw/zinc/35/77/88/569357788.db2.gz XGCUDZGUUBXPLR-KRWDZBQOSA-N 0 1 437.971 5.393 50 0 IKAAMN CCc1ccc2oc(=O)cc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000020412495 569364159 /nfs/dbraw/zinc/36/41/59/569364159.db2.gz CDLNSIKQHKREPV-UHFFFAOYSA-N 0 1 438.571 5.263 50 0 IKAAMN O=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000096012656 569380110 /nfs/dbraw/zinc/38/01/10/569380110.db2.gz VGBBKINMKRASIP-CQSZACIVSA-N 0 1 430.217 5.041 50 0 IKAAMN Cc1ncc(CNCc2ccco2)c2cc(-c3cc(=O)oc4cc5c(cc43)CCC5)oc21 ZINC000096116445 569383765 /nfs/dbraw/zinc/38/37/65/569383765.db2.gz YLZUVSHHXNCFTP-UHFFFAOYSA-N 0 1 426.472 5.281 50 0 biogenic IKAAMN Cc1ccc(C)c([C@@H](c2ccccc2)N2CCN(C(=O)CCCc3ccccc3)CC2)c1 ZINC000096183799 569386092 /nfs/dbraw/zinc/38/60/92/569386092.db2.gz QJMCHZJWVNEAAO-GDLZYMKVSA-N 0 1 426.604 5.560 50 0 IKAAMN CCCOc1ccc2[nH]c(C)c(CN(Cc3ccccc3)Cc3ccccc3)c(=O)c2c1 ZINC000096300406 569392000 /nfs/dbraw/zinc/39/20/00/569392000.db2.gz BZUNPVFGWHXKKX-UHFFFAOYSA-N 0 1 426.560 5.828 50 0 IKAAMN CCOc1ccc(C(=O)Nc2cc(-c3cc4cc(OC)ccc4n3CC)n[nH]2)cc1OCC ZINC000096398594 569399730 /nfs/dbraw/zinc/39/97/30/569399730.db2.gz LVMVUTCUMLJJNV-UHFFFAOYSA-N 0 1 448.523 5.110 50 0 IKAAMN COCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(C(C)(C)C)ccc1C ZINC000002643108 569413862 /nfs/dbraw/zinc/41/38/62/569413862.db2.gz FJWOVMXWTZYSRF-UHFFFAOYSA-N 0 1 445.503 5.137 50 0 IKAAMN C[C@@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000057315441 569430961 /nfs/dbraw/zinc/43/09/61/569430961.db2.gz KBRPTYTZAYLFQF-OAHLLOKOSA-N 0 1 425.891 5.021 50 0 IKAAMN CCCCOc1ccc(-c2cc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)[nH]n2)cc1 ZINC000057354830 569431476 /nfs/dbraw/zinc/43/14/76/569431476.db2.gz OKLRVUMMQUXNJJ-UHFFFAOYSA-N 0 1 428.414 5.991 50 0 IKAAMN CC(C)(C)c1ccc(CSc2nc3ccccc3c(=O)n2NC(=O)c2cccs2)cc1 ZINC000002974063 569433485 /nfs/dbraw/zinc/43/34/85/569433485.db2.gz SEVKZOZXFSGGQS-UHFFFAOYSA-N 0 1 449.601 5.432 50 0 IKAAMN O=S(=O)(Nc1ccccc1Oc1cc(Cl)c(Cl)cc1Cl)c1ccccc1 ZINC000003065543 569439730 /nfs/dbraw/zinc/43/97/30/569439730.db2.gz YQNKTGDEDUSXLJ-UHFFFAOYSA-N 0 1 428.724 6.240 50 0 IKAAMN CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CNCc1cccc(Cl)c1 ZINC000057911223 569442854 /nfs/dbraw/zinc/44/28/54/569442854.db2.gz XKTQDTFPYPNORU-UHFFFAOYSA-N 0 1 434.970 5.035 50 0 IKAAMN CCOc1ccc(C(C)=O)cc1CSc1nc(-c2ccccc2Br)n[nH]1 ZINC000003286877 569444151 /nfs/dbraw/zinc/44/41/51/569444151.db2.gz XLWQSPUHGDYYJT-UHFFFAOYSA-N 0 1 432.343 5.128 50 0 IKAAMN COc1ccc(C)cc1N(C(=O)C1COc2ccccc2O1)c1nc2ccccc2s1 ZINC000003547599 569453737 /nfs/dbraw/zinc/45/37/37/569453737.db2.gz HMUSSOYUGYSGCC-NRFANRHFSA-N 0 1 432.501 5.118 50 0 IKAAMN CC(C)c1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000003614314 569455039 /nfs/dbraw/zinc/45/50/39/569455039.db2.gz DDIRDYVOSKNKOF-MUUNZHRXSA-N 0 1 426.604 6.445 50 0 IKAAMN Cc1ccc(-c2n[nH]c(SC(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1 ZINC000059382464 569461102 /nfs/dbraw/zinc/46/11/02/569461102.db2.gz GBLWKIYOPFWOQV-UHFFFAOYSA-N 0 1 433.580 6.864 50 0 IKAAMN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000007978288 569461978 /nfs/dbraw/zinc/46/19/78/569461978.db2.gz PPTAQMAZAYQVIF-IBGZPJMESA-N 0 1 425.532 5.701 50 0 IKAAMN O=C(Nc1sc2c(c1[C@@H](c1ccc(F)cc1)N1CCCCC1)CCCC2)c1ccco1 ZINC000038545965 569463292 /nfs/dbraw/zinc/46/32/92/569463292.db2.gz YXQKKUUEAADHMA-HSZRJFAPSA-N 0 1 438.568 6.187 50 0 IKAAMN Cc1cc([C@H](c2ccc(OC(F)F)cc2)N2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545898 569463322 /nfs/dbraw/zinc/46/33/22/569463322.db2.gz MQHWHBPMUVTIIZ-FQEVSTJZSA-N 0 1 446.519 6.079 50 0 IKAAMN CC1CCN([C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccccn2)CC1 ZINC000038546321 569463461 /nfs/dbraw/zinc/46/34/61/569463461.db2.gz SKENXLAACNHUGO-QHCPKHFHSA-N 0 1 435.593 5.689 50 0 IKAAMN CCc1cc([C@@H](c2ccccc2OC)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546283 569463502 /nfs/dbraw/zinc/46/35/02/569463502.db2.gz RLBFAWBABXTTDL-HSZRJFAPSA-N 0 1 438.593 5.986 50 0 IKAAMN CCc1cc([C@H](c2cccc(F)c2)N2CCN(CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546540 569463629 /nfs/dbraw/zinc/46/36/29/569463629.db2.gz YGEFDXUKAQPTJM-QFIPXVFZSA-N 0 1 441.572 5.022 50 0 IKAAMN CCc1cc([C@H](c2ccc(F)cc2)N2CCN(CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546538 569463706 /nfs/dbraw/zinc/46/37/06/569463706.db2.gz VVDUAOVRAGSMMD-QFIPXVFZSA-N 0 1 441.572 5.022 50 0 IKAAMN Cc1sc(NC(=O)c2cccs2)c([C@@H](c2cccnc2)N2CCC(C)CC2)c1C ZINC000038546709 569463728 /nfs/dbraw/zinc/46/37/28/569463728.db2.gz MCWYFPOHJLTHNK-OAQYLSRUSA-N 0 1 425.623 5.895 50 0 IKAAMN Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccccc2Cl)N2CCCC2)c1C ZINC000038546865 569463816 /nfs/dbraw/zinc/46/38/16/569463816.db2.gz MLHBVVQNJQIXJS-HXUWFJFHSA-N 0 1 431.026 6.517 50 0 IKAAMN Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccccc2Cl)N2CCCC2)c1C ZINC000038546867 569463818 /nfs/dbraw/zinc/46/38/18/569463818.db2.gz MLHBVVQNJQIXJS-FQEVSTJZSA-N 0 1 431.026 6.517 50 0 IKAAMN Cc1[nH]c(SCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)nc1Cc1ccccc1 ZINC000008706434 569470503 /nfs/dbraw/zinc/47/05/03/569470503.db2.gz HOFJGBNOXAKTHQ-HXUWFJFHSA-N 0 1 448.617 5.374 50 0 IKAAMN COc1cccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCN(Cc3ccccc3)CC2)c1 ZINC000008717701 569471150 /nfs/dbraw/zinc/47/11/50/569471150.db2.gz WIRVQVBMBDMYDQ-SANMLTNESA-N 0 1 439.559 5.231 50 0 IKAAMN COc1cccc2c1OC1(CCN(Cc3ccccc3)CC1)N1N=C(c3cccs3)C[C@@H]21 ZINC000008717754 569471183 /nfs/dbraw/zinc/47/11/83/569471183.db2.gz ARGHYGFGSNWPKJ-QFIPXVFZSA-N 0 1 445.588 5.293 50 0 IKAAMN [O-][C@]1(C(F)(F)F)C=C(C=Cc2ccccc2O)[NH2+]N1c1nc(-c2ccccc2)cs1 ZINC000008754029 569473790 /nfs/dbraw/zinc/47/37/90/569473790.db2.gz BNTCKSHXNXHZPT-CFGKVWFZSA-N 0 1 431.439 5.046 50 0 IKAAMN Cc1ccc(-c2csc(N3[NH2+]C(C=Cc4ccccc4O)=C[C@]3([O-])C(F)(F)F)n2)cc1 ZINC000008754007 569473793 /nfs/dbraw/zinc/47/37/93/569473793.db2.gz RUXJPFUGZHMURD-ZJVMWOEPSA-N 0 1 445.466 5.355 50 0 IKAAMN O=C([N-]P(=O)(Oc1ccccc1)Oc1ccccc1)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000008763191 569474404 /nfs/dbraw/zinc/47/44/04/569474404.db2.gz NOMABACPSDSLOC-SIKLNZKXSA-N 0 1 444.468 5.243 50 0 biogenic IKAAMN c1[nH]c2ccccc2c1-c1nc(-c2ccc3c(c2)sc2ccccc23)c(-c2ccccc2)[nH]1 ZINC000008781383 569475634 /nfs/dbraw/zinc/47/56/34/569475634.db2.gz PZEKECFNOGPROL-UHFFFAOYSA-N 0 1 441.559 8.260 50 0 IKAAMN CCCOc1ccc([C@@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2Cc2ccco2)cc1 ZINC000008845262 569478767 /nfs/dbraw/zinc/47/87/67/569478767.db2.gz HYASTTGXIYIRSZ-RUZDIDTESA-N 0 1 443.503 5.218 50 0 IKAAMN Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccccc2F)N(CCc2ccccc2)C3=O)c(O)c1 ZINC000008845772 569478905 /nfs/dbraw/zinc/47/89/05/569478905.db2.gz CDBXDUHKZNIZDK-RUZDIDTESA-N 0 1 427.479 5.018 50 0 IKAAMN Cc1ccc(-c2[nH]nc3c2[C@H](c2cccc(Cl)c2)N(CCc2ccccc2)C3=O)c(O)c1 ZINC000008845789 569478929 /nfs/dbraw/zinc/47/89/29/569478929.db2.gz DKMXAEKADVDUSG-VWLOTQADSA-N 0 1 443.934 5.532 50 0 IKAAMN Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@H](c1ccsc1)N1CCCCCC1 ZINC000008863044 569480193 /nfs/dbraw/zinc/48/01/93/569480193.db2.gz ZKWYYUHVHAYRTF-HXUWFJFHSA-N 0 1 444.000 5.712 50 0 IKAAMN Cc1cc2oc3c(c2cc1NS(=O)(=O)c1cccc2cccnc21)C(=O)CC(C)(C)C3 ZINC000008870377 569480609 /nfs/dbraw/zinc/48/06/09/569480609.db2.gz UBCRUPCLVSXLLO-UHFFFAOYSA-N 0 1 434.517 5.245 50 0 IKAAMN COc1ccc([C@H]2CCCCCN2Cc2nnc(-c3c(C)onc3-c3ccccc3)o2)cc1 ZINC000008880977 569482859 /nfs/dbraw/zinc/48/28/59/569482859.db2.gz ONIIWURLKHRGIM-JOCHJYFZSA-N 0 1 444.535 5.826 50 0 IKAAMN COc1ccc(C)cc1NC(=O)[C@@H](Sc1nc(-c2cccs2)n[nH]1)c1ccccc1 ZINC000008882917 569482966 /nfs/dbraw/zinc/48/29/66/569482966.db2.gz OZKRPQIREUZRDR-IBGZPJMESA-N 0 1 436.562 5.322 50 0 IKAAMN C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000040033491 569483107 /nfs/dbraw/zinc/48/31/07/569483107.db2.gz MODKXLFNXCJTTB-RDJZCZTQSA-N 0 1 444.457 5.167 50 0 IKAAMN Cc1ccc(-c2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CCN(C(C)C)C5)o2)cc1Cl ZINC000008923103 569486962 /nfs/dbraw/zinc/48/69/62/569486962.db2.gz UUGBGXKHRVSZFT-OAQYLSRUSA-N 0 1 441.984 6.165 50 0 IKAAMN CC(=O)c1cccc(NC(=O)[C@H](Sc2nc(-c3cccs3)n[nH]2)c2ccccc2)c1 ZINC000008941791 569488609 /nfs/dbraw/zinc/48/86/09/569488609.db2.gz RTWVIRYWPWFMOR-LJQANCHMSA-N 0 1 434.546 5.208 50 0 IKAAMN COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2cccc3ccccc32)cc1 ZINC000009087754 569500828 /nfs/dbraw/zinc/50/08/28/569500828.db2.gz KYVWHOUGNSMFTK-VCTRFXNDSA-N 0 1 444.575 5.155 50 0 IKAAMN Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2C)C1 ZINC000245258140 569501656 /nfs/dbraw/zinc/50/16/56/569501656.db2.gz LAPRBDWKIGWNPR-LKUPVBHCSA-N 0 1 429.992 5.210 50 0 IKAAMN O=C(c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2)N1CCN(C2CCCCC2)CC1 ZINC000009152962 569507933 /nfs/dbraw/zinc/50/79/33/569507933.db2.gz FAOOCGAVIGXXRE-UHFFFAOYSA-N 0 1 441.019 5.020 50 0 IKAAMN CCc1cc([C@H](c2cccc(OC)c2)N2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000009254032 569516310 /nfs/dbraw/zinc/51/63/10/569516310.db2.gz JNSFDOUEQSRXMR-DEOSSOPVSA-N 0 1 434.605 6.147 50 0 IKAAMN CCOc1ccccc1N(C(=O)C1COc2ccccc2O1)c1nc2ccccc2s1 ZINC000009284246 569519022 /nfs/dbraw/zinc/51/90/22/569519022.db2.gz JAUVKYMLDVBDNC-OAQYLSRUSA-N 0 1 432.501 5.200 50 0 IKAAMN O=C(CSc1nc(-c2ccccc2F)n[nH]1)Nc1c(Cl)cccc1C(F)(F)F ZINC000009349350 569524735 /nfs/dbraw/zinc/52/47/35/569524735.db2.gz OLMUDVDCVLVIGZ-UHFFFAOYSA-N 0 1 430.814 5.014 50 0 IKAAMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000009377298 569527425 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SAMOERHBQIGBJM-LJQANCHMSA-N 0 1 430.577 5.266 50 0 IKAAMN C[C@H](CC(F)(F)F)N1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1 ZINC000012456684 526257328 /nfs/dbraw/zinc/25/73/28/526257328.db2.gz ZPTJURRBJVOHLF-CQSZACIVSA-N 0 1 432.914 5.197 50 0 IKAAMN O=C([O-])[C@H](c1c[nH]c2ccc(Cl)cc21)[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035105643 526314922 /nfs/dbraw/zinc/31/49/22/526314922.db2.gz PSHCZBPSPAHRNI-RBZFPXEDSA-N 0 1 425.941 5.436 50 0 IKAAMN O=C(CCCc1cccs1)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000012814777 526461819 /nfs/dbraw/zinc/46/18/19/526461819.db2.gz OZMVWVFRYIMMFX-OAQYLSRUSA-N 0 1 443.494 5.872 50 0 IKAAMN Cc1noc(C)c1CCC(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000012576887 526487923 /nfs/dbraw/zinc/48/79/23/526487923.db2.gz VBXDDSBRFNYWQR-NRFANRHFSA-N 0 1 442.441 5.025 50 0 IKAAMN O=C(CCN1CCN(Cc2csc3ccccc23)CC1)Nc1c(Cl)cccc1Cl ZINC000022916962 526488091 /nfs/dbraw/zinc/48/80/91/526488091.db2.gz ZPVWASBAQLXZMI-UHFFFAOYSA-N 0 1 448.419 5.355 50 0 IKAAMN O=C(NC[C@@H](c1cccs1)N1CCCCC1)c1cc(-c2ccc3c(c2)CCCC3)on1 ZINC000021805307 526493969 /nfs/dbraw/zinc/49/39/69/526493969.db2.gz VBBYAWBVVXSQEZ-QFIPXVFZSA-N 0 1 435.593 5.239 50 0 IKAAMN O=C(c1cc(-c2ccccc2)c(N2CCCCC2)s1)N1CCN(C2CCCCC2)CC1 ZINC000020597678 526591042 /nfs/dbraw/zinc/59/10/42/526591042.db2.gz UVRJRBGBRFGWNT-UHFFFAOYSA-N 0 1 437.653 5.496 50 0 IKAAMN O=C(CCc1ccccc1)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000012566882 526610595 /nfs/dbraw/zinc/61/05/95/526610595.db2.gz ICEDCSIRIITCMQ-UHFFFAOYSA-N 0 1 449.359 5.366 50 0 IKAAMN Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CCC(C(=O)N2CCCC2)CC1 ZINC000012203449 526735680 /nfs/dbraw/zinc/73/56/80/526735680.db2.gz FLTURGVDYASOMN-UHFFFAOYSA-N 0 1 445.563 5.277 50 0 IKAAMN O=C(c1cccs1)N(c1ccc(F)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000034682586 526834847 /nfs/dbraw/zinc/83/48/47/526834847.db2.gz SLQKZPYKVQSPOL-UHFFFAOYSA-N 0 1 428.960 5.852 50 0 IKAAMN O=C(CSc1nc(-c2ccc(Cl)cc2Cl)n[nH]1)Nc1cccc2ccccc21 ZINC000012568384 527051611 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5.541 50 0 IKAAMN O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1CC12CCN(Cc1cccnc1)CC2 ZINC000012099876 527618729 /nfs/dbraw/zinc/61/87/29/527618729.db2.gz BQFRFDJMHNSHKM-MHZLTWQESA-N 0 1 439.603 5.022 50 0 IKAAMN CSc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2Cl)cc1 ZINC000000645875 555520791 /nfs/dbraw/zinc/52/07/91/555520791.db2.gz DHPUDSWFBQWYLE-UHFFFAOYSA-N 0 1 432.954 5.115 50 0 IKAAMN Cc1cc(O)c(C2=Nc3ccccc3S[C@@H](c3ccccc3Br)C2)c(=O)o1 ZINC000000752656 555553598 /nfs/dbraw/zinc/55/35/98/555553598.db2.gz JBQINTSJVVCUPP-LJQANCHMSA-N 0 1 442.334 5.774 50 0 IKAAMN Cc1ccc(COC(=O)C2C(C)=NC(=O)N[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000000861382 555572730 /nfs/dbraw/zinc/57/27/30/555572730.db2.gz SLHUCIDDZHKHHM-DEOSSOPVSA-N 0 1 428.488 5.159 50 0 IKAAMN O=C1S/C(=C\c2cc(Br)cc(Cl)c2O)C(=O)N1Cc1ccc(F)cc1 ZINC000001011108 555601924 /nfs/dbraw/zinc/60/19/24/555601924.db2.gz AZCBVJBTLIPDEW-NSIKDUERSA-N 0 1 442.693 5.184 50 0 IKAAMN COC(=O)c1sccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C)cc1 ZINC000001027529 555604676 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IKAAMN CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cccc3ccccc31)c1ccccc21 ZINC000001117229 555634849 /nfs/dbraw/zinc/63/48/49/555634849.db2.gz YXMRKBHKOXEHQG-UHFFFAOYSA-N 0 1 429.497 6.051 50 0 IKAAMN O=C1CCCc2oc3c(cc(NS(=O)(=O)c4cc(Cl)ccc4Cl)cc3Cl)c21 ZINC000001210387 555682187 /nfs/dbraw/zinc/68/21/87/555682187.db2.gz MKXWSNPRQRUXSW-UHFFFAOYSA-N 0 1 444.723 5.713 50 0 IKAAMN COc1cc(-c2nc(-c3cnc4ccccc4c3)c(-c3ccccc3)[nH]2)cc(OC)c1OC ZINC000001216736 555684311 /nfs/dbraw/zinc/68/43/11/555684311.db2.gz VEGVBINOVWWKHL-UHFFFAOYSA-N 0 1 437.499 5.985 50 0 IKAAMN O=c1cc(-c2ccccc2)oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)cc(O)c12 ZINC000001799810 555717013 /nfs/dbraw/zinc/71/70/13/555717013.db2.gz KJYUWGPWGWIMRX-UHFFFAOYSA-N 0 1 434.316 5.440 50 0 IKAAMN Cc1cc(C)c(NC(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc43)cc2)c(C)c1 ZINC000002053615 555729522 /nfs/dbraw/zinc/72/95/22/555729522.db2.gz ZOECYGRLYWXTDI-UHFFFAOYSA-N 0 1 445.544 5.213 50 0 IKAAMN O=C1C(=Nc2ccc(F)cc2)C[C@@H](c2ccc(Br)cc2)N1c1ccc(F)cc1 ZINC000002061319 555732058 /nfs/dbraw/zinc/73/20/58/555732058.db2.gz IXMWLMVYJNUPNO-NRFANRHFSA-N 0 1 441.275 5.811 50 0 IKAAMN COc1cccc(NC2=C[C@@H](c3cccc4ccccc43)N(c3cccc(OC)c3)C2=O)c1 ZINC000002329366 555769253 /nfs/dbraw/zinc/76/92/53/555769253.db2.gz AUCZQOXETGZIKM-MHZLTWQESA-N 0 1 436.511 5.941 50 0 IKAAMN O=C1C(Nc2cccc(Cl)c2)=C[C@@H](c2cccc3ccccc32)N1c1cccc(Cl)c1 ZINC000002344249 555770483 /nfs/dbraw/zinc/77/04/83/555770483.db2.gz VUEGLIHZCMZNLA-VWLOTQADSA-N 0 1 445.349 7.231 50 0 IKAAMN O=C1C(Nc2cccc(Cl)c2)=C[C@H](c2cccc3ccccc32)N1c1cccc(Cl)c1 ZINC000002344247 555770500 /nfs/dbraw/zinc/77/05/00/555770500.db2.gz VUEGLIHZCMZNLA-RUZDIDTESA-N 0 1 445.349 7.231 50 0 IKAAMN COc1cccc([C@H]2C=C(Nc3cccc(Cl)c3)C(=O)N2c2cccc(Cl)c2)c1 ZINC000002346323 555770802 /nfs/dbraw/zinc/77/08/02/555770802.db2.gz BFRTXVMZVFEHEV-JOCHJYFZSA-N 0 1 425.315 6.086 50 0 IKAAMN O=S(=O)(Nc1cc2nc3ccccc3nc2n1Cc1ccccc1)c1ccc(Cl)cc1 ZINC000002448662 555780798 /nfs/dbraw/zinc/78/07/98/555780798.db2.gz QRNHZTGFJGPYFW-UHFFFAOYSA-N 0 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555818122 /nfs/dbraw/zinc/81/81/22/555818122.db2.gz ZUFZRXYRTFOXKM-UHFFFAOYSA-N 0 1 428.576 6.195 50 0 IKAAMN Cc1cccc(N2CCN(Cc3ccc(C(=O)N[C@H](C)c4ccccc4)cc3)CC2)c1C ZINC000034684867 555820493 /nfs/dbraw/zinc/82/04/93/555820493.db2.gz RPVLGHYGNIYZND-HSZRJFAPSA-N 0 1 427.592 5.117 50 0 IKAAMN CC(=O)C1(c2ccccc2)CCN(Cc2cccc(C(=O)NCc3cccc(C)c3)c2)CC1 ZINC000034684981 555820563 /nfs/dbraw/zinc/82/05/63/555820563.db2.gz KXDIUMQTJMJBCE-UHFFFAOYSA-N 0 1 440.587 5.048 50 0 IKAAMN CSc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1 ZINC000002889992 555859381 /nfs/dbraw/zinc/85/93/81/555859381.db2.gz VNLPQTMCHHVQQU-UHFFFAOYSA-N 0 1 446.981 5.423 50 0 IKAAMN Cc1cccc(CNC(=O)c2ccc(C)nc2C2CCN(Cc3cccc(Cl)c3)CC2)c1 ZINC000034725796 555881850 /nfs/dbraw/zinc/88/18/50/555881850.db2.gz SYIKTWKXPJGJLU-UHFFFAOYSA-N 0 1 448.010 5.661 50 0 IKAAMN Fc1ccc(N2CCN(CC[C@H](Oc3ccc(Cl)cc3)c3cccs3)CC2)cc1 ZINC000034726898 555882366 /nfs/dbraw/zinc/88/23/66/555882366.db2.gz ZAAMIJHPWINDTD-QFIPXVFZSA-N 0 1 430.976 5.873 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ZINC000003670063 555945392 /nfs/dbraw/zinc/94/53/92/555945392.db2.gz ISWSLZYHGGNYOV-XMMPIXPASA-N 0 1 437.370 7.201 50 0 IKAAMN COc1cc(CNCc2cccnc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000004398184 555992982 /nfs/dbraw/zinc/99/29/82/555992982.db2.gz GZPLRMDUTFXPEL-UHFFFAOYSA-N 0 1 447.760 5.375 50 0 IKAAMN O=C(C1CCN(Cc2ccccc2F)CC1)N(CCc1ccccc1)Cc1ccccc1 ZINC000004548617 556000544 /nfs/dbraw/zinc/00/05/44/556000544.db2.gz VSRJCXJUBSZGNR-UHFFFAOYSA-N 0 1 430.567 5.309 50 0 IKAAMN CC(C)N(CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000004574093 556002085 /nfs/dbraw/zinc/00/20/85/556002085.db2.gz PCNJVSSSPXTRCT-XMMPIXPASA-N 0 1 428.617 5.608 50 0 IKAAMN CCc1ccc([C@H](C)NCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000002795092 556145203 /nfs/dbraw/zinc/14/52/03/556145203.db2.gz FITKBPLAYVCAJC-ZDUSSCGKSA-N 0 1 434.392 5.969 50 0 IKAAMN O=C1C2[C@H](c3ccccc3)N[C@@H](c3ccccc3)C1[C@@H](c1ccccc1)N[C@H]2c1ccccc1 ZINC000008034756 556149493 /nfs/dbraw/zinc/14/94/93/556149493.db2.gz ITTQAMYBEGYMAS-CSXACLAXSA-N 0 1 444.578 5.960 50 0 in-vitro IKAAMN COc1ccc(-c2nc(-c3ccc4c(c3)C(=O)c3ccccc3-4)c(-c3ccccc3)[nH]2)cc1 ZINC000008408182 556166826 /nfs/dbraw/zinc/16/68/26/556166826.db2.gz NXPKNYBRJICSQH-UHFFFAOYSA-N 0 1 428.491 6.631 50 0 IKAAMN COc1ccc(-c2nc(-c3ccc(C(=O)c4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1 ZINC000008424556 556167964 /nfs/dbraw/zinc/16/79/64/556167964.db2.gz PNBZRXZGXJFIFN-UHFFFAOYSA-N 0 1 430.507 6.650 50 0 IKAAMN COc1cc(CNCc2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008914462 556232098 /nfs/dbraw/zinc/23/20/98/556232098.db2.gz BPZFMWSMSUEHFK-UHFFFAOYSA-N 0 1 429.875 5.085 50 0 IKAAMN Cc1[nH]nc2c1[C@@H](c1ccc(Cl)cc1Cl)N(CCc1c[nH]c3ccccc13)C2=O ZINC000013690534 556280022 /nfs/dbraw/zinc/28/00/22/556280022.db2.gz QCTJPMWJLQNBEC-OAQYLSRUSA-N 0 1 425.319 5.294 50 0 IKAAMN COc1ccc2nc(SCC(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)[nH]c2c1 ZINC000009435214 556291533 /nfs/dbraw/zinc/29/15/33/556291533.db2.gz ARPGTNBBMQDGJQ-UHFFFAOYSA-N 0 1 439.924 5.748 50 0 IKAAMN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccco4)c3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009679516 556305818 /nfs/dbraw/zinc/30/58/18/556305818.db2.gz ZTLNSYKCXVKNTN-JOCHJYFZSA-N 0 1 447.878 5.250 50 0 IKAAMN Cc1ccc(-c2n[nH]c(SCC(=O)c3ccc(NC(=O)c4ccccc4)cc3)n2)cc1 ZINC000032736441 556306286 /nfs/dbraw/zinc/30/62/86/556306286.db2.gz FELCWGZKANIXPP-UHFFFAOYSA-N 0 1 428.517 5.007 50 0 IKAAMN CCC[C@@H](NCc1cc(Cl)cc(Cl)c1OCc1ccc(C)cc1)c1ccccc1 ZINC000010436333 556334636 /nfs/dbraw/zinc/33/46/36/556334636.db2.gz VRHRIBVDGGWXSF-XMMPIXPASA-N 0 1 428.403 7.512 50 0 IKAAMN COc1ccc2cc(-c3n[nH]cc3CN[C@@H](c3nc4cc(C)ccc4[nH]3)C(C)C)ccc2c1 ZINC000011664741 556345083 /nfs/dbraw/zinc/34/50/83/556345083.db2.gz GMINVGCOMGNYJS-RUZDIDTESA-N 0 1 439.563 5.910 50 0 IKAAMN COc1ccc2cc(-c3n[nH]cc3CN[C@@H](c3nc4ccc(C)cc4[nH]3)C(C)C)ccc2c1 ZINC000011664741 556345086 /nfs/dbraw/zinc/34/50/86/556345086.db2.gz GMINVGCOMGNYJS-RUZDIDTESA-N 0 1 439.563 5.910 50 0 IKAAMN CCc1ncc(CN2CCC[C@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)cn1 ZINC000011764488 556349748 /nfs/dbraw/zinc/34/97/48/556349748.db2.gz DOUKWMQQECUBNC-QFIPXVFZSA-N 0 1 439.563 5.038 50 0 IKAAMN O=C(c1ccc2cc[nH]c2c1)N1CCC(c2[nH]ncc2-c2cccc(C(F)(F)F)c2)CC1 ZINC000011785000 556352891 /nfs/dbraw/zinc/35/28/91/556352891.db2.gz OLIQMNHEVBLMIF-UHFFFAOYSA-N 0 1 438.453 5.597 50 0 IKAAMN COc1ccc(-c2ccc(C(=O)N3CCC[C@H](c4[nH]ncc4-c4cccc(F)c4)C3)o2)cc1 ZINC000011785226 556353132 /nfs/dbraw/zinc/35/31/32/556353132.db2.gz FLORYUMCQCLLEK-IBGZPJMESA-N 0 1 445.494 5.504 50 0 IKAAMN COc1ccc(-c2nc(CN3CCC[C@H](COc4ccc(F)cc4)C3)c(C)o2)c(OC)c1 ZINC000011816839 556359594 /nfs/dbraw/zinc/35/95/94/556359594.db2.gz KLQSEJKEUNSWFO-SFHVURJKSA-N 0 1 440.515 5.097 50 0 IKAAMN OCC1(Cc2cccc(C(F)(F)F)c2)CCN(Cc2ccccc2OC(F)F)CC1 ZINC000011839311 556364263 /nfs/dbraw/zinc/36/42/63/556364263.db2.gz WSIJEYIKZYFKPO-UHFFFAOYSA-N 0 1 429.429 5.124 50 0 IKAAMN CCCCc1nc(CN2CCC[C@@H](C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)c[nH]1 ZINC000011936744 556379147 /nfs/dbraw/zinc/37/91/47/556379147.db2.gz AJRCDANKWRYMHK-OAQYLSRUSA-N 0 1 446.595 5.279 50 0 IKAAMN CC(=O)c1cccc(CN2CCC(C(=O)Nc3ccc(-c4cccc(C)c4)cc3)CC2)c1 ZINC000011945349 556379897 /nfs/dbraw/zinc/37/98/97/556379897.db2.gz ORDASLITCHSRQI-UHFFFAOYSA-N 0 1 426.560 5.715 50 0 IKAAMN Cc1c2cc(Br)ccc2oc1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000027992212 556440405 /nfs/dbraw/zinc/44/04/05/556440405.db2.gz FCIBUBCAIKLQEK-FQEVSTJZSA-N 0 1 441.369 5.379 50 0 IKAAMN Cc1cc2oc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N3CCCC3)cc(=O)c2cc1C ZINC000028289097 556448804 /nfs/dbraw/zinc/44/88/04/556448804.db2.gz PEFVANLWISBZKQ-QHCPKHFHSA-N 0 1 446.591 5.274 50 0 IKAAMN Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)N2CCCCC2)cc1 ZINC000028288932 556448963 /nfs/dbraw/zinc/44/89/63/556448963.db2.gz PXCZHDQEISXTRL-OAQYLSRUSA-N 0 1 438.955 5.020 50 0 IKAAMN Cc1cc(C)c2oc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N3CCCC3)cc(=O)c2c1 ZINC000028289555 556449224 /nfs/dbraw/zinc/44/92/24/556449224.db2.gz QYRUNJFBJQIXQJ-QHCPKHFHSA-N 0 1 446.591 5.274 50 0 IKAAMN Cc1ccc2c(=O)cc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N3CCCC3)oc2c1C ZINC000028290370 556449567 /nfs/dbraw/zinc/44/95/67/556449567.db2.gz CTIKNICYOVLSOE-QHCPKHFHSA-N 0 1 446.591 5.274 50 0 IKAAMN Cc1ccc(-c2nsc(NC(=O)c3cc(-c4ccc(Br)cc4)on3)n2)s1 ZINC000028291173 556449882 /nfs/dbraw/zinc/44/98/82/556449882.db2.gz HVKNYCVNFXBLPJ-UHFFFAOYSA-N 0 1 447.339 5.245 50 0 IKAAMN Cc1cc2oc(C(=O)NC[C@@H](c3ccc(C(C)C)cc3)N3CCCCC3)cc(=O)c2cc1C ZINC000028293042 556450654 /nfs/dbraw/zinc/45/06/54/556450654.db2.gz PUSLXVULACMMEF-DEOSSOPVSA-N 0 1 446.591 5.490 50 0 IKAAMN Cc1ccc2nc(S[C@@H](C)C(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)[nH]c2c1 ZINC000013076281 556455966 /nfs/dbraw/zinc/45/59/66/556455966.db2.gz RCBNMAPXMJAXQV-NSHDSACASA-N 0 1 430.505 5.392 50 0 IKAAMN C[C@@H](NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000014915623 556458489 /nfs/dbraw/zinc/45/84/89/556458489.db2.gz OMLBQSYYAGLYND-OAHLLOKOSA-N 0 1 432.873 6.065 50 0 IKAAMN COc1ccc2cc(-c3[nH]c(-c4ccc([S@](C)=O)cc4)nc3-c3ccncc3)ccc2c1 ZINC000028823976 556461798 /nfs/dbraw/zinc/46/17/98/556461798.db2.gz SINQIEAULQKUPD-JGCGQSQUSA-N 0 1 439.540 5.705 50 0 in-vitro IKAAMN CCCN(CCC(=O)Nc1cc(Cl)ccc1Cl)Cc1nnc(-c2cccs2)o1 ZINC000028896708 556463457 /nfs/dbraw/zinc/46/34/57/556463457.db2.gz VCZSSZCIWVURRS-UHFFFAOYSA-N 0 1 439.368 5.346 50 0 IKAAMN C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013113049 556466112 /nfs/dbraw/zinc/46/61/12/556466112.db2.gz REQNZIJYUJRAOS-JTQLQIEISA-N 0 1 426.851 5.263 50 0 IKAAMN Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCC[C@H](CN2CCCC2=O)C1 ZINC000014972919 556467314 /nfs/dbraw/zinc/46/73/14/556467314.db2.gz NGRIOSMRYHKEBT-NRFANRHFSA-N 0 1 429.564 5.151 50 0 IKAAMN O=c1c(CNC(c2ccccc2)c2ccccc2)cc2ccc(F)cc2n1Cc1ccccn1 ZINC000014984421 556472043 /nfs/dbraw/zinc/47/20/43/556472043.db2.gz ZYJNENHTXUTGFJ-UHFFFAOYSA-N 0 1 449.529 5.463 50 0 IKAAMN COc1ccc([C@@H](CNC(=O)CCCSc2ccc(Cl)cc2)N2CCCCC2)cc1 ZINC000013134105 556481980 /nfs/dbraw/zinc/48/19/80/556481980.db2.gz ZAPPWBISYXAEGR-HSZRJFAPSA-N 0 1 447.044 5.564 50 0 IKAAMN CC(C)c1ccccc1N(C(=O)C1COc2ccccc2O1)c1nc2ccccc2s1 ZINC000013147839 556489069 /nfs/dbraw/zinc/48/90/69/556489069.db2.gz FEVOVCBFGNSTQJ-QFIPXVFZSA-N 0 1 430.529 5.924 50 0 IKAAMN CCOc1ccc(-c2nc(CSc3nc(-c4ccc(C)cc4)n[nH]3)cs2)cc1OC ZINC000013149999 556492074 /nfs/dbraw/zinc/49/20/74/556492074.db2.gz QRRTYRXIUVNWRK-UHFFFAOYSA-N 0 1 438.578 5.603 50 0 IKAAMN Cc1oc(-c2cc(F)ccc2F)nc1CN1CCCC[C@H]1c1nc2ccc(F)cc2[nH]1 ZINC000015067376 556493384 /nfs/dbraw/zinc/49/33/84/556493384.db2.gz WUVLWZSMCKNNJN-NRFANRHFSA-N 0 1 426.442 5.671 50 0 IKAAMN Cc1oc(-c2cc(F)ccc2F)nc1CN1CCCC[C@@H]1c1nc2ccc(F)cc2[nH]1 ZINC000015067374 556493423 /nfs/dbraw/zinc/49/34/23/556493423.db2.gz WUVLWZSMCKNNJN-OAQYLSRUSA-N 0 1 426.442 5.671 50 0 IKAAMN COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(Cc2cccc(C(C)=O)c2)C1 ZINC000015070487 556495403 /nfs/dbraw/zinc/49/54/03/556495403.db2.gz AFWCYYWXXRTLNY-GOSISDBHSA-N 0 1 428.960 5.182 50 0 IKAAMN COc1ccc(-c2nc(CSc3n[nH]c(CCC4CCCC4)n3)cs2)cc1OC ZINC000032883971 556509851 /nfs/dbraw/zinc/50/98/51/556509851.db2.gz FQOLRDXVLVXYRY-UHFFFAOYSA-N 0 1 430.599 5.361 50 0 IKAAMN COc1ccc(-c2nc(CSc3nc(CCC4CCCC4)n[nH]3)cs2)cc1OC ZINC000032883971 556509856 /nfs/dbraw/zinc/50/98/56/556509856.db2.gz FQOLRDXVLVXYRY-UHFFFAOYSA-N 0 1 430.599 5.361 50 0 IKAAMN COc1ccc(OC)c(-c2nc(-c3cccc(Cl)c3Cl)c(-c3ccccc3)[nH]2)c1 ZINC000013582152 556528340 /nfs/dbraw/zinc/52/83/40/556528340.db2.gz SMUWENHUAXGHJG-UHFFFAOYSA-N 0 1 425.315 6.735 50 0 IKAAMN Clc1cccc(-c2nc(-c3ccc(Br)cc3)[nH]c2-c2ccccc2)c1Cl ZINC000013617607 556535828 /nfs/dbraw/zinc/53/58/28/556535828.db2.gz VZURYSAWVRSQFG-UHFFFAOYSA-N 0 1 444.159 7.480 50 0 IKAAMN c1ccc(Oc2ccc(-c3[nH]c(-c4ccc5c(c4)OCO5)nc3-c3ccccc3)cc2)cc1 ZINC000015685865 556543390 /nfs/dbraw/zinc/54/33/90/556543390.db2.gz GKKVEPIZWSJUBE-UHFFFAOYSA-N 0 1 432.479 6.932 50 0 IKAAMN CC[C@H]1CN(Cc2ccccc2)CCN1C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000072303035 556547585 /nfs/dbraw/zinc/54/75/85/556547585.db2.gz RDJBNNMAGAXSBV-FQEVSTJZSA-N 0 1 437.971 5.051 50 0 IKAAMN N[C@H](Sc1nc(=O)n(-c2ccc(Cl)cc2)c2c1CCC2)c1cccc2ccccc21 ZINC000015840481 556556704 /nfs/dbraw/zinc/55/67/04/556556704.db2.gz WRONZAVJTBZZHL-JOCHJYFZSA-N 0 1 433.964 5.277 50 0 IKAAMN Cn1c(CCc2ccc(NC(=O)c3cc(-c4cccs4)n[nH]3)cc2)nc2ccccc21 ZINC000032960882 556571045 /nfs/dbraw/zinc/57/10/45/556571045.db2.gz LKJPPDRATFALDQ-UHFFFAOYSA-N 0 1 427.533 5.062 50 0 IKAAMN Cc1ccc2nc(CCc3ccc(NC(=O)c4cc(-c5cccs5)[nH]n4)cc3)[nH]c2c1 ZINC000032960986 556571783 /nfs/dbraw/zinc/57/17/83/556571783.db2.gz BITSQYBEWAPCAC-UHFFFAOYSA-N 0 1 427.533 5.360 50 0 IKAAMN Cc1[nH]c(SCc2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)nc1Cc1ccccc1 ZINC000016098477 556582744 /nfs/dbraw/zinc/58/27/44/556582744.db2.gz JHKSFGLEGRSDNU-ZDUSSCGKSA-N 0 1 436.606 5.024 50 0 IKAAMN Cc1ccc(C(=O)N2CCCCC2)c(C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000037554274 556604837 /nfs/dbraw/zinc/60/48/37/556604837.db2.gz ASQJHHZCSJAYBB-UHFFFAOYSA-N 0 1 445.529 5.415 50 0 IKAAMN O=C(CCCc1nc2ccccc2s1)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000032988536 556608777 /nfs/dbraw/zinc/60/87/77/556608777.db2.gz QTMUKPSFQAKAGY-FQEVSTJZSA-N 0 1 428.001 5.226 50 0 IKAAMN Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NC2CCCCCC2)CC1 ZINC000005043134 556626857 /nfs/dbraw/zinc/62/68/57/556626857.db2.gz GJMJQJDSLAXLSZ-UHFFFAOYSA-N 0 1 429.992 5.354 50 0 IKAAMN Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000005043248 556626868 /nfs/dbraw/zinc/62/68/68/556626868.db2.gz HUCNIQNWHZLKDT-HRAATJIYSA-N 0 1 429.992 5.210 50 0 IKAAMN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)C1 ZINC000005056240 556628032 /nfs/dbraw/zinc/62/80/32/556628032.db2.gz RIWWJAOMOXKEGC-NBHGPNQESA-N 0 1 429.992 5.210 50 0 IKAAMN COc1ccc([C@H](C)NCC(=O)N(Cc2ccco2)C2=CCCCC2)cc1Br ZINC000016695676 556628779 /nfs/dbraw/zinc/62/87/79/556628779.db2.gz AVYREQUHAFEWKR-INIZCTEOSA-N 0 1 447.373 5.188 50 0 IKAAMN Cc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccccc3)on2)c1 ZINC000011915823 556674380 /nfs/dbraw/zinc/67/43/80/556674380.db2.gz GDUOHTZJHYXQKH-UHFFFAOYSA-N 0 1 437.455 5.901 50 0 IKAAMN O=C(Nc1ccc2sc(NC(=O)c3ccccc3)nc2c1)c1cc(-c2cccs2)n[nH]1 ZINC000033020150 556684913 /nfs/dbraw/zinc/68/49/13/556684913.db2.gz APPNKRBTWNLGHE-UHFFFAOYSA-N 0 1 445.529 5.253 50 0 IKAAMN CCn1c(CN)nnc1Sc1nc(-c2ccccc2)nc2scc(-c3ccccc3)c21 ZINC000072312233 556686900 /nfs/dbraw/zinc/68/69/00/556686900.db2.gz APFSTDKLEYVMAR-UHFFFAOYSA-N 0 1 444.589 5.247 50 0 IKAAMN O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1c2ccccc2cc2ccccc21 ZINC000000993847 556690515 /nfs/dbraw/zinc/69/05/15/556690515.db2.gz UWWTZEFJKKCIAH-DEDYPNTBSA-N 0 1 433.294 5.761 50 0 IKAAMN CC(C)(C)c1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000137899927 556699135 /nfs/dbraw/zinc/69/91/35/556699135.db2.gz FEXTXOKTCVPOFJ-WXFUMESZSA-N 0 1 444.506 5.174 50 0 IKAAMN CC(C)(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000137899927 556699141 /nfs/dbraw/zinc/69/91/41/556699141.db2.gz FEXTXOKTCVPOFJ-WXFUMESZSA-N 0 1 444.506 5.174 50 0 IKAAMN CCOC(=O)C1(Cc2ccccc2)CCN(Cc2ccc([C@H]3CCCCO3)s2)CC1 ZINC000055358746 556740342 /nfs/dbraw/zinc/74/03/42/556740342.db2.gz PTTRHXDIGJDHOP-JOCHJYFZSA-N 0 1 427.610 5.378 50 0 IKAAMN CC(C)(C)c1cc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(C(C)(C)C)c1O ZINC000055543787 556741988 /nfs/dbraw/zinc/74/19/88/556741988.db2.gz HJZSOWZXYPSABA-UHFFFAOYSA-N 0 1 448.573 6.328 50 0 IKAAMN CC(C)(C)c1ccc(CN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000019364228 556745718 /nfs/dbraw/zinc/74/57/18/556745718.db2.gz MOYGZHXDRJNJEP-HHHXNRCGSA-N 0 1 433.039 6.545 50 0 world IKAAMN Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)Nc1cccc(C)c1C ZINC000064450463 556823843 /nfs/dbraw/zinc/82/38/43/556823843.db2.gz IUGHGPYPGKXSJR-UHFFFAOYSA-N 0 1 425.535 5.191 50 0 IKAAMN Cc1sc(-c2nc(-c3ccc(F)cc3)no2)cc1S(=O)(=O)Nc1cccc(C)c1 ZINC000064450510 556824213 /nfs/dbraw/zinc/82/42/13/556824213.db2.gz XRFAZEMCYQXKMX-UHFFFAOYSA-N 0 1 429.498 5.022 50 0 IKAAMN Cc1ccc2c(c1)c1c3n2CCN(C[C@@H](O)c2ccc(Br)cc2)[C@@H]3CCC1 ZINC000019595347 556830768 /nfs/dbraw/zinc/83/07/68/556830768.db2.gz ZMUNWOYASSHYBX-FGZHOGPDSA-N 0 1 425.370 5.139 50 0 IKAAMN Cc1ncc(CN2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)s1 ZINC000067713626 556846287 /nfs/dbraw/zinc/84/62/87/556846287.db2.gz XEDHSXUXODFOCR-UHFFFAOYSA-N 0 1 425.985 5.623 50 0 IKAAMN CC(=O)N(c1nc(CSc2nc(-c3ccc(C)cc3)n[nH]2)cs1)c1cccc(C)c1 ZINC000008966174 556851912 /nfs/dbraw/zinc/85/19/12/556851912.db2.gz AGXCLZUENFQCKB-UHFFFAOYSA-N 0 1 435.578 5.522 50 0 IKAAMN CCn1c2ccccc2nc1CCc1ccccc1NS(=O)(=O)c1ccccc1Cl ZINC000033116524 556862565 /nfs/dbraw/zinc/86/25/65/556862565.db2.gz BKAMVMTYBLCXKQ-UHFFFAOYSA-N 0 1 439.968 5.296 50 0 IKAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1cc(-c2cc(C(F)(F)F)on2)ccc1C ZINC000033173455 556883196 /nfs/dbraw/zinc/88/31/96/556883196.db2.gz VSQMOKQITYMDQU-UHFFFAOYSA-N 0 1 446.834 5.132 50 0 IKAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c(C)s2)sc1C ZINC000033169463 556884810 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O=C(NCc1ccccc1Cl)c1ccc(-c2cc(-c3cccc4c3OCCO4)n[nH]2)cc1 ZINC000023456892 557362628 /nfs/dbraw/zinc/36/26/28/557362628.db2.gz BFTCHTQTQCUKQG-UHFFFAOYSA-N 0 1 445.906 5.098 50 0 IKAAMN O=C(N[C@H]1CCc2ccccc21)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023456941 557362713 /nfs/dbraw/zinc/36/27/13/557362713.db2.gz OMDOJROIGZYLNJ-QFIPXVFZSA-N 0 1 448.353 6.468 50 0 IKAAMN O=C(N[C@@H]1CCc2ccccc21)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1 ZINC000023457955 557363305 /nfs/dbraw/zinc/36/33/05/557363305.db2.gz PKDQYDYGHXHAIL-JOCHJYFZSA-N 0 1 447.460 6.180 50 0 IKAAMN CCc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102726599 557369968 /nfs/dbraw/zinc/36/99/68/557369968.db2.gz YZORGGDPVBBSOO-WXFUMESZSA-N 0 1 446.934 5.262 50 0 IKAAMN CCc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102726599 557369974 /nfs/dbraw/zinc/36/99/74/557369974.db2.gz YZORGGDPVBBSOO-WXFUMESZSA-N 0 1 446.934 5.262 50 0 IKAAMN O=c1cc2c(c3occ(-c4ccccc4)c(O)c1-3)[C@@H](c1cc(F)c(F)c(F)c1)CC(=O)O2 ZINC000524731778 557370171 /nfs/dbraw/zinc/37/01/71/557370171.db2.gz KILAVLQXCNZKAJ-CYBMUJFWSA-N 0 1 438.357 5.024 50 0 biogenic IKAAMN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102734266 557372516 /nfs/dbraw/zinc/37/25/16/557372516.db2.gz CZUDJILWSYVQCR-DNVJHFABSA-N 0 1 432.907 5.008 50 0 IKAAMN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102734266 557372520 /nfs/dbraw/zinc/37/25/20/557372520.db2.gz CZUDJILWSYVQCR-DNVJHFABSA-N 0 1 432.907 5.008 50 0 IKAAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C(NCCc1ccccc1)(C(F)(F)F)C(F)(F)F ZINC000102738011 557379888 /nfs/dbraw/zinc/37/98/88/557379888.db2.gz UZEAEDLAABNTIK-UHFFFAOYSA-N 0 1 443.391 5.039 50 0 IKAAMN CCCOc1cccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CC)c1 ZINC000102873816 557396099 /nfs/dbraw/zinc/39/60/99/557396099.db2.gz UVHLZDGLNSPZSM-SANMLTNESA-N 0 1 432.564 6.678 50 0 IKAAMN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)cc3)CC(=O)C2[C@@H]1c1ccco1 ZINC000100429430 557402412 /nfs/dbraw/zinc/40/24/12/557402412.db2.gz CLGJGVPRZABLNA-MYUZEXMDSA-N 0 1 442.515 6.248 50 0 IKAAMN CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000104153319 557451345 /nfs/dbraw/zinc/45/13/45/557451345.db2.gz CHYODOHQZJRDOV-JOCHJYFZSA-N 0 1 428.454 6.518 50 0 IKAAMN CCc1cc([C@@H](c2cccc(OC)c2)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546281 557591321 /nfs/dbraw/zinc/59/13/21/557591321.db2.gz GQUJPBIMGXTLHG-HSZRJFAPSA-N 0 1 438.593 5.986 50 0 IKAAMN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000226989794 557811561 /nfs/dbraw/zinc/81/15/61/557811561.db2.gz CZUDJILWSYVQCR-YTFSRNRJSA-N 0 1 432.907 5.008 50 0 IKAAMN Fc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccccc2)cc1 ZINC000001064132 562920264 /nfs/dbraw/zinc/92/02/64/562920264.db2.gz AORMSLQVQCQSJU-UHFFFAOYSA-N 0 1 432.296 6.794 50 0 IKAAMN O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccccc4)cc3[nH]2)cc1)c1ccccc1 ZINC000001229591 562920961 /nfs/dbraw/zinc/92/09/61/562920961.db2.gz HNFDASCPIUGCNQ-UHFFFAOYSA-N 0 1 432.483 5.735 50 0 IKAAMN O=C(NCC1CCN(Cc2cccc(Cl)c2)CC1)Nc1cc(Cl)ccc1Cl ZINC000008593880 562952920 /nfs/dbraw/zinc/95/29/20/562952920.db2.gz KBZFHKMSRODRDU-UHFFFAOYSA-N 0 1 426.775 5.681 50 0 IKAAMN Cc1cc(C(=O)CSc2nc(-c3ccccc3F)n[nH]2)c(C)n1Cc1cccs1 ZINC000008671363 562960868 /nfs/dbraw/zinc/96/08/68/562960868.db2.gz KHILQICFXQECDF-UHFFFAOYSA-N 0 1 426.542 5.114 50 0 IKAAMN O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1cc2ccccc2o1 ZINC000008682307 562961682 /nfs/dbraw/zinc/96/16/82/562961682.db2.gz HXCRBOLLXGIYCU-UHFFFAOYSA-N 0 1 449.260 5.961 50 0 IKAAMN Cc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2SCC(=O)NC[C@@H]2CCCO2)cc1 ZINC000008683341 562961906 /nfs/dbraw/zinc/96/19/06/562961906.db2.gz XXUHWZPUSQIHCR-IBGZPJMESA-N 0 1 441.984 5.093 50 0 IKAAMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000008684425 562962150 /nfs/dbraw/zinc/96/21/50/562962150.db2.gz ZPADVSURVSINRV-UHFFFAOYSA-N 0 1 444.940 5.100 50 0 IKAAMN COc1ccc([C@H](CC(=O)NCc2ccccc2)Sc2nc(-c3ccccc3)n[nH]2)cc1 ZINC000008830495 562964872 /nfs/dbraw/zinc/96/48/72/562964872.db2.gz GUZHTODTKVHHDT-QFIPXVFZSA-N 0 1 444.560 5.020 50 0 IKAAMN Cc1nc2cc(NC(=O)[C@@H]3CC34CCN(Cc3ccc(O)c(Cl)c3)CC4)ccc2s1 ZINC000011782731 562979196 /nfs/dbraw/zinc/97/91/96/562979196.db2.gz KDSKKFPBFBSYSI-KRWDZBQOSA-N 0 1 441.984 5.205 50 0 IKAAMN CCCCc1ccc(C(=O)Nc2ccc3nc(N4CCN(CC)CC4)cc(C)c3c2)cc1 ZINC000020108587 563023717 /nfs/dbraw/zinc/02/37/17/563023717.db2.gz VERXMSNVBNWROJ-UHFFFAOYSA-N 0 1 430.596 5.280 50 0 IKAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3cccc(OC(F)(F)F)c3)c(C)s2)cs1 ZINC000033308418 568616085 /nfs/dbraw/zinc/61/60/85/568616085.db2.gz MRLDJMFMHBDUNT-UHFFFAOYSA-N 0 1 434.486 5.188 50 0 IKAAMN O=C(c1csc2ccccc12)N1CCN(C2c3ccccc3CCc3ccccc32)CC1 ZINC000025144005 568640749 /nfs/dbraw/zinc/64/07/49/568640749.db2.gz ZSTMZGDPVLPLMB-UHFFFAOYSA-N 0 1 438.596 5.547 50 0 IKAAMN O=C1CCCc2oc3c(cc(NS(=O)(=O)c4ccc5ccccc5c4)c4ccccc34)c21 ZINC000000944085 568641920 /nfs/dbraw/zinc/64/19/20/568641920.db2.gz BZHRBHIXPCXBCF-UHFFFAOYSA-N 0 1 441.508 6.059 50 0 IKAAMN COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cc(-c4cccc5ccccc54)n[nH]3)cc2)c1 ZINC000025152467 568643292 /nfs/dbraw/zinc/64/32/92/568643292.db2.gz BDPRXOVDPHACST-LJQANCHMSA-N 0 1 447.538 6.397 50 0 IKAAMN COC(=O)c1ccc2nc(C)cc(Nc3ccc(OCc4ccc(Cl)cc4)cc3)c2c1 ZINC000000949570 568644377 /nfs/dbraw/zinc/64/43/77/568644377.db2.gz WAQBYNWZXJMWDT-UHFFFAOYSA-N 0 1 432.907 6.306 50 0 IKAAMN COc1cc(CN[C@H](C)c2ccccn2)cc(Br)c1OCc1ccccc1 ZINC000025358889 568654609 /nfs/dbraw/zinc/65/46/09/568654609.db2.gz DESOZMNQRVQKIS-MRXNPFEDSA-N 0 1 427.342 5.283 50 0 IKAAMN Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c(C)c1 ZINC000003207490 568742966 /nfs/dbraw/zinc/74/29/66/568742966.db2.gz AIBAGVXRGHGPIO-UHFFFAOYSA-N 0 1 449.359 5.663 50 0 IKAAMN CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3Cl)nn2[C@@H]1c1cccs1 ZINC000001283597 568776768 /nfs/dbraw/zinc/77/67/68/568776768.db2.gz LIHUHLWILSWRAG-QGZVFWFLSA-N 0 1 446.985 5.137 50 0 IKAAMN Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(Cl)cc2)N2CCCCC2)c1C ZINC000001448861 568817432 /nfs/dbraw/zinc/81/74/32/568817432.db2.gz FGCTXABKSPVAJP-OAQYLSRUSA-N 0 1 428.985 6.439 50 0 IKAAMN O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc(C2SCCS2)cc1 ZINC000015787726 568837949 /nfs/dbraw/zinc/83/79/49/568837949.db2.gz ZSPBPCAHUMFPEM-FQEVSTJZSA-N 0 1 433.042 5.386 50 0 IKAAMN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)c1C ZINC000006146579 568846047 /nfs/dbraw/zinc/84/60/47/568846047.db2.gz HHCFGMJFNRYAQE-UHFFFAOYSA-N 0 1 442.968 5.627 50 0 IKAAMN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)c1C ZINC000006146580 568846057 /nfs/dbraw/zinc/84/60/57/568846057.db2.gz PJLGFFDDLJGVIV-UHFFFAOYSA-N 0 1 426.513 5.112 50 0 IKAAMN O=C(Nc1cc(Cl)ccc1Cl)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000006146958 568846282 /nfs/dbraw/zinc/84/62/82/568846282.db2.gz NJKIJSLTQBDTIZ-UHFFFAOYSA-N 0 1 439.295 5.186 50 0 IKAAMN Cc1nc(N2N=C(C)C(Cc3ccc(C)cc3)C2=O)sc1C(=O)Nc1ccc(C)cc1 ZINC000015858751 568846989 /nfs/dbraw/zinc/84/69/89/568846989.db2.gz HZGNMLYKVHBRNO-UHFFFAOYSA-N 0 1 432.549 5.111 50 0 IKAAMN COc1ccccc1[C@H](c1oc2ccccc2c1NC(=O)c1ccccc1)N1CCCCC1 ZINC000015859469 568847707 /nfs/dbraw/zinc/84/77/07/568847707.db2.gz XDOPAGUHDXTKML-AREMUKBSSA-N 0 1 440.543 6.269 50 0 IKAAMN CCc1ccc(-c2cc(C(=O)Nc3ccc4nc(CCc5ccccc5)[nH]c4c3)n[nH]2)cc1 ZINC000015863888 568849489 /nfs/dbraw/zinc/84/94/89/568849489.db2.gz PVSXWCYQZUYLTC-UHFFFAOYSA-N 0 1 435.531 5.553 50 0 IKAAMN CCc1c(C)sc2c1CCN(Cc1nc(-c3cccc(C)c3)oc1C)[C@@H]2c1ccccc1 ZINC000015864863 568850361 /nfs/dbraw/zinc/85/03/61/568850361.db2.gz NSRSCNOXAQWSQX-AREMUKBSSA-N 0 1 442.628 7.038 50 0 IKAAMN CC(=O)Nc1ccc(C)cc1S(=O)(=O)Nc1ccc(-c2ccc3cc(C)ccc3n2)cc1 ZINC000015868494 568851955 /nfs/dbraw/zinc/85/19/55/568851955.db2.gz RPYJJIRSMKANBH-UHFFFAOYSA-N 0 1 445.544 5.278 50 0 IKAAMN CCCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)COc3ccccc3C)ccc21 ZINC000026121569 568852477 /nfs/dbraw/zinc/85/24/77/568852477.db2.gz ARKNQUDUEMRIDC-UHFFFAOYSA-N 0 1 434.584 5.004 50 0 IKAAMN O=C([O-])[C@@H]1CCC[N@@H+](CCO[C@H](c2ccccc2)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000102198685 568880991 /nfs/dbraw/zinc/88/09/91/568880991.db2.gz JKIRRUZTMFSVDW-YLJYHZDGSA-N 0 1 441.877 5.261 50 0 IKAAMN CCOC(=O)c1ccc2nc(C)cc(Nc3ccc(OCc4ccc(Cl)cc4)cc3)c2c1 ZINC000001775588 568906508 /nfs/dbraw/zinc/90/65/08/568906508.db2.gz IGOZVZGOKYOBES-UHFFFAOYSA-N 0 1 446.934 6.696 50 0 IKAAMN Cc1ccc(N=C2C[C@@H](c3ccc(Br)cc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000001834988 568916199 /nfs/dbraw/zinc/91/61/99/568916199.db2.gz JWNYJCDELWBNQD-QHCPKHFHSA-N 0 1 433.349 6.150 50 0 IKAAMN O=C(CNCc1ccc(F)cc1)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1Cl ZINC000016528268 568920615 /nfs/dbraw/zinc/92/06/15/568920615.db2.gz MMXRXKMVDDEWDR-QFIPXVFZSA-N 0 1 449.378 5.458 50 0 IKAAMN Cc1c(S(=O)(=O)Nc2ccc(C)c(F)c2)cc(-c2nc(-c3ccccc3)cs2)n1C ZINC000064668079 568943104 /nfs/dbraw/zinc/94/31/04/568943104.db2.gz OXXHJZGSEVVNSY-UHFFFAOYSA-N 0 1 441.553 5.372 50 0 IKAAMN Cc1ccc(N2N=C(C(C)C)C(c3ccc(NC(=O)c4cccc(C)c4)cc3)C2=O)cc1 ZINC000036084919 568947707 /nfs/dbraw/zinc/94/77/07/568947707.db2.gz ZEOSWCSDIKOTOL-UHFFFAOYSA-N 0 1 425.532 6.237 50 0 IKAAMN Cc1ccc(-n2[nH]c(C(C)C)c(-c3ccc(NC(=O)c4cccc(C)c4)cc3)c2=O)cc1 ZINC000036084919 568947710 /nfs/dbraw/zinc/94/77/10/568947710.db2.gz ZEOSWCSDIKOTOL-UHFFFAOYSA-N 0 1 425.532 6.237 50 0 IKAAMN CCCCn1c(-c2ccc(OCC)cc2)cnc1NCc1cc(OC)c(O)c(OC)c1 ZINC000006721483 568962709 /nfs/dbraw/zinc/96/27/09/568962709.db2.gz VUFKENQKUZJEQL-UHFFFAOYSA-N 0 1 425.529 5.084 50 0 IKAAMN COc1ccc(CN(Cc2ccc(C(O)(c3ccccc3)c3ccccc3)o2)C2CC2)cc1 ZINC000036156171 568965238 /nfs/dbraw/zinc/96/52/38/568965238.db2.gz MZASJXQWATXLTD-UHFFFAOYSA-N 0 1 439.555 5.737 50 0 IKAAMN CC(C)N(Cc1ccc(C(O)(c2cccs2)c2cccs2)o1)Cc1ccc(F)cc1 ZINC000036167743 568968477 /nfs/dbraw/zinc/96/84/77/568968477.db2.gz UWTOINWGQOLXRY-UHFFFAOYSA-N 0 1 441.593 6.237 50 0 IKAAMN Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)Nc2cccc(-c3ccno3)c2)c1C ZINC000064845923 568972040 /nfs/dbraw/zinc/97/20/40/568972040.db2.gz XJNROXGNXFGJNS-UHFFFAOYSA-N 0 1 429.523 5.093 50 0 IKAAMN Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)Nc2cccc(Br)c2)c1C ZINC000064845917 568972086 /nfs/dbraw/zinc/97/20/86/568972086.db2.gz KQLXKMCLACQDDM-UHFFFAOYSA-N 0 1 441.372 5.200 50 0 IKAAMN CCCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C1CC1 ZINC000036313723 568998740 /nfs/dbraw/zinc/99/87/40/568998740.db2.gz HGHSNCLWEMCHAT-QHCPKHFHSA-N 0 1 449.595 5.497 50 0 IKAAMN CCOc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CCC(C)CC2)cc1 ZINC000036344132 569080100 /nfs/dbraw/zinc/08/01/00/569080100.db2.gz HGWCOMGSXAELGF-SANMLTNESA-N 0 1 433.596 5.112 50 0 IKAAMN CCCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C1CC1 ZINC000036346014 569080824 /nfs/dbraw/zinc/08/08/24/569080824.db2.gz LLANFBRWELVTCH-JOCHJYFZSA-N 0 1 437.559 5.628 50 0 IKAAMN CCCC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C1CC1 ZINC000036345875 569080862 /nfs/dbraw/zinc/08/08/62/569080862.db2.gz DHWZOXLYFRLZFF-DEOSSOPVSA-N 0 1 433.596 5.797 50 0 IKAAMN CCC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036346055 569080885 /nfs/dbraw/zinc/08/08/85/569080885.db2.gz DAVJEDFZINCMAO-NRFANRHFSA-N 0 1 425.548 5.485 50 0 IKAAMN CCCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1 ZINC000036346328 569081228 /nfs/dbraw/zinc/08/12/28/569081228.db2.gz CGWWVPRBYLKCMS-HSZRJFAPSA-N 0 1 437.559 5.628 50 0 IKAAMN CCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@H](O)CC ZINC000036346753 569081471 /nfs/dbraw/zinc/08/14/71/569081471.db2.gz FMNWOGPFRLXQRH-OAQYLSRUSA-N 0 1 429.511 5.234 50 0 IKAAMN CCOc1ccc(CN2CCCn3cccc3[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000036347885 569081732 /nfs/dbraw/zinc/08/17/32/569081732.db2.gz ODCXNTASJADNBN-LJAQVGFWSA-N 0 1 438.571 6.674 50 0 IKAAMN Cc1cc(Oc2ncccn2)ccc1NS(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000065223947 569117630 /nfs/dbraw/zinc/11/76/30/569117630.db2.gz CMTYPXRSHRZJRX-UHFFFAOYSA-N 0 1 438.336 5.302 50 0 IKAAMN CCCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)COc3cccc(C)c3)ccc21 ZINC000065322252 569136606 /nfs/dbraw/zinc/13/66/06/569136606.db2.gz LPXGYBZLCOGXIT-UHFFFAOYSA-N 0 1 434.584 5.004 50 0 IKAAMN CCCCCCOc1ccc(CN[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1 ZINC000170594066 569141400 /nfs/dbraw/zinc/14/14/00/569141400.db2.gz LOQZCIXDNYJZAR-NRFANRHFSA-N 0 1 432.490 5.662 50 0 IKAAMN COc1ccccc1C(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccccc2F)CC1 ZINC000037279980 569145682 /nfs/dbraw/zinc/14/56/82/569145682.db2.gz VOQYRDAZZRHGOE-UHFFFAOYSA-N 0 1 436.502 5.285 50 0 IKAAMN COc1ccc(CN2CCC(N(C(=O)c3ccc(OC)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000037279966 569145695 /nfs/dbraw/zinc/14/56/95/569145695.db2.gz YIVIPXFWEGHHSD-UHFFFAOYSA-N 0 1 448.538 5.154 50 0 IKAAMN COc1ccc(CN2CCC(N(C(=O)c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000037279962 569145701 /nfs/dbraw/zinc/14/57/01/569145701.db2.gz IAZIUALNYOTJQL-UHFFFAOYSA-N 0 1 436.502 5.285 50 0 IKAAMN COc1ccccc1C(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000037279982 569145710 /nfs/dbraw/zinc/14/57/10/569145710.db2.gz KMVPILBMNMCSQO-UHFFFAOYSA-N 0 1 436.502 5.285 50 0 IKAAMN Cc1ccc(N(C2CCN(Cc3cccc(C)c3)CC2)S(=O)(=O)c2cccc(C)c2)cc1 ZINC000037280055 569145762 /nfs/dbraw/zinc/14/57/62/569145762.db2.gz LZGBPPCEYGYEPK-UHFFFAOYSA-N 0 1 448.632 5.472 50 0 IKAAMN COc1ccccc1CN1CCC(N(C(=O)c2ccc(F)cc2)c2ccc(C)cc2)CC1 ZINC000037280026 569145840 /nfs/dbraw/zinc/14/58/40/569145840.db2.gz KHPDUCOEUOEBAA-UHFFFAOYSA-N 0 1 432.539 5.454 50 0 IKAAMN COc1ccccc1N[P@@](=O)(/C=C(/Cl)c1ccccc1)/C=C(\Cl)c1ccccc1 ZINC000013304858 569154859 /nfs/dbraw/zinc/15/48/59/569154859.db2.gz HXYJDQXODRIMAN-ARHRGINZSA-N 0 1 444.298 7.860 50 0 IKAAMN O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000013320548 569154989 /nfs/dbraw/zinc/15/49/89/569154989.db2.gz RXBKTWWYFUYFIM-UHFFFAOYSA-N 0 1 447.888 5.862 50 0 IKAAMN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@H](C(=O)N[C@H]2CCCC[C@@H]2C)C1 ZINC000251180152 569158206 /nfs/dbraw/zinc/15/82/06/569158206.db2.gz RIWWJAOMOXKEGC-LRQRDZAKSA-N 0 1 429.992 5.210 50 0 IKAAMN Cc1ccc(C(=O)NCC(C)C)c(C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000037554348 569200485 /nfs/dbraw/zinc/20/04/85/569200485.db2.gz OWUBPWIJEABJDP-UHFFFAOYSA-N 0 1 433.518 5.174 50 0 IKAAMN COc1ccc(C(=O)N(c2ccc(OC)cc2)C2CCN(Cc3cccc(F)c3)CC2)cc1 ZINC000037559968 569200898 /nfs/dbraw/zinc/20/08/98/569200898.db2.gz UOEVEVYTBDXNLS-UHFFFAOYSA-N 0 1 448.538 5.154 50 0 IKAAMN O=C(/C=C/c1ccco1)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 ZINC000002211834 569201551 /nfs/dbraw/zinc/20/15/51/569201551.db2.gz FMEYAFNPGGSPCO-VMPITWQZSA-N 0 1 425.238 5.208 50 0 IKAAMN CCc1ccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000037580722 569202014 /nfs/dbraw/zinc/20/20/14/569202014.db2.gz NXQWPAASRFTQTI-UHFFFAOYSA-N 0 1 434.530 5.839 50 0 IKAAMN COc1ccc(/C=C(\C)c2nc(-c3ccccc3)nc(-c3ccccc3O)n2)cc1OC ZINC000066087656 569205563 /nfs/dbraw/zinc/20/55/63/569205563.db2.gz HJWCNSJTKISPHD-BMRADRMJSA-N 0 1 425.488 5.489 50 0 IKAAMN O=C1c2n[nH]c(-c3ccccc3)c2[C@@H](c2ccc(O)cc2)N1CCc1c[nH]c2ccccc12 ZINC000066087607 569205715 /nfs/dbraw/zinc/20/57/15/569205715.db2.gz LPHVFPPNZGBCMN-AREMUKBSSA-N 0 1 434.499 5.052 50 0 IKAAMN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1c[nH]c2c(cccc2C(C)C)c1=O ZINC000253623913 569284578 /nfs/dbraw/zinc/28/45/78/569284578.db2.gz SQALIQZSTOKJNK-JOCHJYFZSA-N 0 1 429.520 5.361 50 0 biogenic IKAAMN Oc1ccccc1-c1nc2ccccc2c(Oc2ccc(Cl)cc2Br)n1 ZINC000002405680 569300138 /nfs/dbraw/zinc/30/01/38/569300138.db2.gz VGGDHURHSSNFOQ-UHFFFAOYSA-N 0 1 427.685 6.211 50 0 IKAAMN CCc1ccc(-c2n[nH]c(SCc3csc(N(C(C)=O)c4cccc(C)c4)n3)n2)cc1 ZINC000013113119 569310611 /nfs/dbraw/zinc/31/06/11/569310611.db2.gz DFZFOQOHPVHBCP-UHFFFAOYSA-N 0 1 449.605 5.776 50 0 IKAAMN C[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013115195 569310780 /nfs/dbraw/zinc/31/07/80/569310780.db2.gz WDDAJAQMASXEHU-QMMMGPOBSA-N 0 1 432.880 5.325 50 0 IKAAMN Fc1ccc(Br)cc1CNC1(c2cccc(Br)c2)CCOCC1 ZINC000078710803 569318360 /nfs/dbraw/zinc/31/83/60/569318360.db2.gz XLIKIRSLANICMA-UHFFFAOYSA-N 0 1 443.154 5.146 50 0 IKAAMN Cc1cccc(-c2cc(N3CCN(C)CC3)nc(SCc3ccc(Cl)cc3)n2)c1 ZINC000019822024 569330056 /nfs/dbraw/zinc/33/00/56/569330056.db2.gz ISCIGYJSTBHLLB-UHFFFAOYSA-N 0 1 425.001 5.150 50 0 IKAAMN CCCCCC[C@](O)(c1ccc(OCC)cc1)[C@@H](CN1CCOCC1)c1ccccc1 ZINC000020034596 569332646 /nfs/dbraw/zinc/33/26/46/569332646.db2.gz UXTNEBZBEZFKGG-SVBPBHIXSA-N 0 1 425.613 5.359 50 0 IKAAMN COc1ccc(-c2nc(SCC(=O)Nc3ccccc3)c(-c3ccc(F)cc3)[nH]2)cc1 ZINC000020182428 569355433 /nfs/dbraw/zinc/35/54/33/569355433.db2.gz DJSISMROOQBOLJ-UHFFFAOYSA-N 0 1 433.508 5.622 50 0 IKAAMN CCc1ccc(-c2nc(SCC(=O)Nc3nccs3)c(-c3ccc(F)cc3)[nH]2)cc1 ZINC000020182371 569355467 /nfs/dbraw/zinc/35/54/67/569355467.db2.gz ZRTRORHFFHEXEG-UHFFFAOYSA-N 0 1 438.553 5.633 50 0 IKAAMN Cc1oc(-c2ccccc2C)nc1CN1CCC(C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000020240756 569357801 /nfs/dbraw/zinc/35/78/01/569357801.db2.gz CYISIONYBVKZIU-UHFFFAOYSA-N 0 1 437.971 5.140 50 0 IKAAMN CC(C)CN(CC[NH2+]Cc1c2ccccc2n(Cc2ccccc2)c1C(=O)[O-])CC(C)C ZINC000020379383 569362499 /nfs/dbraw/zinc/36/24/99/569362499.db2.gz WVUGLDLXFHJYJH-UHFFFAOYSA-N 0 1 435.612 5.091 50 0 IKAAMN FC(F)(F)c1cnc(N2CCC(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)c(Cl)c1 ZINC000020405657 569363791 /nfs/dbraw/zinc/36/37/91/569363791.db2.gz MOCGNQBSELPVAZ-UHFFFAOYSA-N 0 1 441.284 6.181 50 0 IKAAMN Cc1nc([C@@H]2CCCN2C(=O)Nc2ccc(NC(=O)C3CC3)cc2)[nH]c1-c1ccccc1 ZINC000095408499 569364793 /nfs/dbraw/zinc/36/47/93/569364793.db2.gz PLBQUNFDMQAMCO-NRFANRHFSA-N 0 1 429.524 5.103 50 0 IKAAMN Cc1ccc(NC(=O)CSC2=NC3(CCN(C(C)C)CC3)N=C2c2ccccc2)cc1C ZINC000020436167 569365495 /nfs/dbraw/zinc/36/54/95/569365495.db2.gz JRIALBMTQJUVIC-UHFFFAOYSA-N 0 1 448.636 5.077 50 0 IKAAMN Cn1c(CCCNC(=O)[C@@H]2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)nc2ccccc21 ZINC000095465652 569370798 /nfs/dbraw/zinc/37/07/98/569370798.db2.gz DQIFFQDMQUHKMD-ZWKOTPCHSA-N 0 1 449.986 5.126 50 0 IKAAMN Cn1c(CCCNC(=O)[C@H]2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)nc2ccccc21 ZINC000095465655 569370807 /nfs/dbraw/zinc/37/08/07/569370807.db2.gz DQIFFQDMQUHKMD-MSOLQXFVSA-N 0 1 449.986 5.126 50 0 IKAAMN Cc1ccc(C)c([C@@H](c2ccccc2)N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c1 ZINC000096183715 569386021 /nfs/dbraw/zinc/38/60/21/569386021.db2.gz UQUDADZKAXNXTO-RUZDIDTESA-N 0 1 433.983 5.896 50 0 IKAAMN CCn1c(-c2cc(NC(=O)c3ccc(OC(F)(F)F)cc3)[nH]n2)cc2ccc(OC)cc21 ZINC000096398665 569399832 /nfs/dbraw/zinc/39/98/32/569399832.db2.gz UBONLSBXXBPFMC-UHFFFAOYSA-N 0 1 444.413 5.211 50 0 IKAAMN CCOc1ccc(C(=O)Nc2cc(-c3cc4c(cccc4OC)n3CC)n[nH]2)cc1OCC ZINC000096400307 569400350 /nfs/dbraw/zinc/40/03/50/569400350.db2.gz RGHABMNALDWGPQ-UHFFFAOYSA-N 0 1 448.523 5.110 50 0 IKAAMN CCOC(=O)C1CCN(CCO[C@@H]2c3ccccc3CSc3ccc(Cl)cc32)CC1 ZINC000096568871 569401402 /nfs/dbraw/zinc/40/14/02/569401402.db2.gz QBUOJFKTEQBBCQ-HSZRJFAPSA-N 0 1 446.012 5.327 50 0 IKAAMN CCOC(=O)C1CCN(CCO[C@H]2c3ccccc3CSc3ccc(Cl)cc32)CC1 ZINC000096568872 569401417 /nfs/dbraw/zinc/40/14/17/569401417.db2.gz QBUOJFKTEQBBCQ-QHCPKHFHSA-N 0 1 446.012 5.327 50 0 IKAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCCOc2ccc(Br)cc2)n1 ZINC000002625347 569411685 /nfs/dbraw/zinc/41/16/85/569411685.db2.gz FAENIFKIDRUFAX-UHFFFAOYSA-N 0 1 440.750 5.067 50 0 IKAAMN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@]2(c2ccccc2)C(=O)N1c1ccccc1 ZINC000230018688 569417444 /nfs/dbraw/zinc/41/74/44/569417444.db2.gz FWDPHRPQKVGFJL-ZEZDXWPOSA-N 0 1 446.506 5.060 50 0 IKAAMN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@]2(c2ccccc2)C(=O)N1c1ccccc1 ZINC000230018688 569417446 /nfs/dbraw/zinc/41/74/46/569417446.db2.gz FWDPHRPQKVGFJL-ZEZDXWPOSA-N 0 1 446.506 5.060 50 0 IKAAMN CCn1c2ccccc2c2cc(NC(=O)c3cc(-c4ccc(OC)cc4OC)n[nH]3)ccc21 ZINC000057412953 569433768 /nfs/dbraw/zinc/43/37/68/569433768.db2.gz ZZWHTYWRKMDRNM-UHFFFAOYSA-N 0 1 440.503 5.474 50 0 IKAAMN CCc1ccc(-n2c3nc(SCc4ccccc4C)[nH]c(=O)c3sc2=S)cc1 ZINC000003027148 569436346 /nfs/dbraw/zinc/43/63/46/569436346.db2.gz FRCHWVKYDIOLBR-UHFFFAOYSA-N 0 1 425.604 5.668 50 0 IKAAMN COc1ccc(S(=O)(=O)[N-]c2c3[nH+]c(C)n(Cc4cccc(C)c4)c3cc(C)c2C)cc1 ZINC000003133390 569440731 /nfs/dbraw/zinc/44/07/31/569440731.db2.gz CQPSNCFTMYMODZ-UHFFFAOYSA-N 0 1 449.576 5.128 50 0 IKAAMN N=C1Nc2nc3ccccc3n2[C@H](c2ccc(N(c3ccccc3)c3ccccc3)cc2)N1 ZINC000003220023 569441907 /nfs/dbraw/zinc/44/19/07/569441907.db2.gz BOGYICUFQAUFAZ-RUZDIDTESA-N 0 1 430.515 5.602 50 0 IKAAMN COc1ccc(C)cc1N(C(=O)C1COc2ccccc2O1)c1nc2ccccc2s1 ZINC000003547598 569453759 /nfs/dbraw/zinc/45/37/59/569453759.db2.gz HMUSSOYUGYSGCC-OAQYLSRUSA-N 0 1 432.501 5.118 50 0 IKAAMN CC(C)c1ccc(NC(=O)[C@H](c2ccccc2)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000003614317 569455056 /nfs/dbraw/zinc/45/50/56/569455056.db2.gz DDIRDYVOSKNKOF-NDEPHWFRSA-N 0 1 426.604 6.445 50 0 IKAAMN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000008004303 569462048 /nfs/dbraw/zinc/46/20/48/569462048.db2.gz MSLGAGZARNHVOI-FQEVSTJZSA-N 0 1 427.548 5.031 50 0 IKAAMN CCOc1ccc([C@H](c2cc(CC)sc2NC(=O)c2ccco2)N2CCCCC2)cc1 ZINC000038545931 569463354 /nfs/dbraw/zinc/46/33/54/569463354.db2.gz IELQVHHCOVRDEQ-HSZRJFAPSA-N 0 1 438.593 6.130 50 0 IKAAMN O=C(Nc1sc2c(c1[C@@H](c1ccccc1F)N1CCCCC1)CCCC2)c1ccco1 ZINC000038545970 569463369 /nfs/dbraw/zinc/46/33/69/569463369.db2.gz IXEFGSSVBUTNSI-HSZRJFAPSA-N 0 1 438.568 6.187 50 0 IKAAMN O=C(Nc1sc2c(c1[C@@H](c1cccc(F)c1)N1CCCCC1)CCCC2)c1ccco1 ZINC000038545968 569463371 /nfs/dbraw/zinc/46/33/71/569463371.db2.gz MIOWOGPWCFSIFS-HSZRJFAPSA-N 0 1 438.568 6.187 50 0 IKAAMN Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccc(F)cc2)N2CCCCC2)c1C ZINC000038545980 569463409 /nfs/dbraw/zinc/46/34/09/569463409.db2.gz YRRSATVFIXZGTH-NRFANRHFSA-N 0 1 428.598 6.393 50 0 IKAAMN CCc1cc([C@H](c2cccc(F)c2)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546288 569463478 /nfs/dbraw/zinc/46/34/78/569463478.db2.gz CRABBSWMSXNWOR-QFIPXVFZSA-N 0 1 426.557 6.116 50 0 IKAAMN Cc1cc([C@H](c2ccc3c(c2)OCO3)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546268 569463514 /nfs/dbraw/zinc/46/35/14/569463514.db2.gz SOYROWUXDSFXIP-QFIPXVFZSA-N 0 1 438.549 5.452 50 0 IKAAMN CC1CCN([C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2cccnc2)CC1 ZINC000038546323 569463523 /nfs/dbraw/zinc/46/35/23/569463523.db2.gz VQTRSACLNMSXHB-QHCPKHFHSA-N 0 1 435.593 5.689 50 0 IKAAMN CCN1CCN([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccccc2)CC1 ZINC000038546566 569463626 /nfs/dbraw/zinc/46/36/26/569463626.db2.gz MBRQRANUHUQHGG-XMMPIXPASA-N 0 1 449.620 5.199 50 0 IKAAMN Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccncc2)N2CCC(C)CC2)c1C ZINC000038546711 569463670 /nfs/dbraw/zinc/46/36/70/569463670.db2.gz VTJIUXBDWRWECK-OAQYLSRUSA-N 0 1 425.623 5.895 50 0 IKAAMN CCc1cc([C@@H](c2ccc(F)cc2)N2CCN(CC)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546537 569463692 /nfs/dbraw/zinc/46/36/92/569463692.db2.gz VVDUAOVRAGSMMD-JOCHJYFZSA-N 0 1 441.572 5.022 50 0 IKAAMN Cc1cc(=O)oc2c1ccc(O)c2C1=Nc2ccc(Cl)cc2S[C@@H](c2ccccc2)C1 ZINC000008411553 569464109 /nfs/dbraw/zinc/46/41/09/569464109.db2.gz ZEGZGVKPKOYOSL-OAQYLSRUSA-N 0 1 447.943 6.818 50 0 IKAAMN Clc1ccc2c(c1)[C@H]1CC(c3ccco3)=NN1C1(CCN(Cc3ccccc3)CC1)O2 ZINC000008717718 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CCc1cccc(CC)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000002879089 555853958 /nfs/dbraw/zinc/85/39/58/555853958.db2.gz RNBXXWLFHJXZKU-UHFFFAOYSA-N 0 1 442.968 5.518 50 0 IKAAMN CCCc1n[nH]c(CCc2ccc(OC)cc2)c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000034795250 555917678 /nfs/dbraw/zinc/91/76/78/555917678.db2.gz VGQDIDXYDSWVLH-UHFFFAOYSA-N 0 1 431.458 5.427 50 0 IKAAMN O=C(Nc1c(C2CC2)n[nH]c1-c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000034795565 555917683 /nfs/dbraw/zinc/91/76/83/555917683.db2.gz UIGMGMMQYLSRPX-UHFFFAOYSA-N 0 1 439.359 6.244 50 0 IKAAMN COc1cccc(OC)c1C(=O)Nc1c(C2CC2)n[nH]c1-c1ccc(C(F)(F)F)cc1 ZINC000034795568 555917725 /nfs/dbraw/zinc/91/77/25/555917725.db2.gz AUVPGKMCXMDQJD-UHFFFAOYSA-N 0 1 431.414 5.242 50 0 IKAAMN COc1ccc(-c2[nH]nc(C3CC3)c2NC(=O)c2ccc(C(F)(F)F)cc2)c(OC)c1 ZINC000034796049 555917745 /nfs/dbraw/zinc/91/77/45/555917745.db2.gz YNARGSIVCAMPIA-UHFFFAOYSA-N 0 1 431.414 5.242 50 0 IKAAMN COc1ccc(CNC(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4)[nH]n3)cc2)cc1OC ZINC000034915651 555930253 /nfs/dbraw/zinc/93/02/53/555930253.db2.gz GYVFCBUFAUQFEB-UHFFFAOYSA-N 0 1 447.922 5.344 50 0 IKAAMN CCC(C)(C)[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4cccc5cccnc54)cc3c2C1 ZINC000006408758 556086932 /nfs/dbraw/zinc/08/69/32/556086932.db2.gz ZLSNFQDVUCZEGE-GOSISDBHSA-N 0 1 448.588 6.323 50 0 IKAAMN O=C(c1ccccc1)c1cccc(-c2nc(-c3ccc(Cl)cc3)[nH]c2-c2ccccc2)c1 ZINC000006446751 556088572 /nfs/dbraw/zinc/08/85/72/556088572.db2.gz QJHMYPNHGVUJKQ-UHFFFAOYSA-N 0 1 434.926 7.295 50 0 IKAAMN O=C(c1ccc(F)cc1)c1ccc(-c2nc(-c3cccc(F)c3)[nH]c2-c2ccccc2)cc1 ZINC000006460666 556089665 /nfs/dbraw/zinc/08/96/65/556089665.db2.gz JVKZCKWQRBAWMC-UHFFFAOYSA-N 0 1 436.461 6.920 50 0 IKAAMN CC[C@H]1CCCCN1[C@@H]1CC(=O)N(c2ccc(-c3nc4ccc(C)cc4s3)cc2)C1=O ZINC000008414662 556167371 /nfs/dbraw/zinc/16/73/71/556167371.db2.gz SKFHLRLOYXFONB-GHTZIAJQSA-N 0 1 433.577 5.168 50 0 IKAAMN Cc1ccc(N=C2C[C@@H](c3cccc(Br)c3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000008424602 556167936 /nfs/dbraw/zinc/16/79/36/556167936.db2.gz 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CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccco4)c3[C@@H]2c2ccccc2Cl)cc1 ZINC000009679514 556305808 /nfs/dbraw/zinc/30/58/08/556305808.db2.gz KHLKYDGUDNJVPE-QFIPXVFZSA-N 0 1 447.878 5.250 50 0 IKAAMN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccco4)c3[C@H]2c2ccccc2Cl)cc1 ZINC000009679511 556305921 /nfs/dbraw/zinc/30/59/21/556305921.db2.gz KHLKYDGUDNJVPE-JOCHJYFZSA-N 0 1 447.878 5.250 50 0 IKAAMN Cc1ccc(C2=NN3[C@@H](C2)c2cc(C)ccc2OC32CCN(Cc3ccccc3)CC2)cc1 ZINC000013788063 556309455 /nfs/dbraw/zinc/30/94/55/556309455.db2.gz LUGXZEVPDSZPSI-MHZLTWQESA-N 0 1 437.587 5.839 50 0 IKAAMN Cc1ccc(C2=NN3[C@H](C2)c2cc(C)ccc2OC32CCN(Cc3ccccc3)CC2)cc1 ZINC000013788065 556309566 /nfs/dbraw/zinc/30/95/66/556309566.db2.gz LUGXZEVPDSZPSI-HHHXNRCGSA-N 0 1 437.587 5.839 50 0 IKAAMN COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(Cc4cc(C(C)C)n[nH]4)C3)cc2)c1 ZINC000011664566 556345163 /nfs/dbraw/zinc/34/51/63/556345163.db2.gz ZYGZIPWXWYBMPX-NRFANRHFSA-N 0 1 432.568 5.059 50 0 IKAAMN COc1ccc(NC(=O)CC[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2)c(C)c1 ZINC000011753535 556348828 /nfs/dbraw/zinc/34/88/28/556348828.db2.gz FMRJTABDCCPCDD-GOSISDBHSA-N 0 1 434.502 5.653 50 0 IKAAMN COc1ccc2nc(CCN(C)C(=O)c3ccc4nc(C5CCCCC5)oc4c3)[nH]c2c1 ZINC000011818685 556360399 /nfs/dbraw/zinc/36/03/99/556360399.db2.gz RAQOYHGRRGAOHD-UHFFFAOYSA-N 0 1 432.524 5.075 50 0 IKAAMN Cc1ccc(-c2csc3[nH]c(CN[C@H](C)c4ccc5c(c4)CCCC5)nc(=O)c23)s1 ZINC000014092801 556365776 /nfs/dbraw/zinc/36/57/76/556365776.db2.gz HDPRZXNKZQAVEG-OAHLLOKOSA-N 0 1 435.618 5.751 50 0 IKAAMN O=C(NCC1(c2ccccc2)CCCC1)[C@@H]1CC12CCN(Cc1ccc(F)c(F)c1)CC2 ZINC000011909291 556374683 /nfs/dbraw/zinc/37/46/83/556374683.db2.gz WBYNGHZRHXTMBN-QFIPXVFZSA-N 0 1 438.562 5.195 50 0 IKAAMN O=C(NCC1(c2ccccc2)CCCC1)[C@H]1CC12CCN(Cc1ccc(F)c(F)c1)CC2 ZINC000011909289 556374705 /nfs/dbraw/zinc/37/47/05/556374705.db2.gz WBYNGHZRHXTMBN-JOCHJYFZSA-N 0 1 438.562 5.195 50 0 IKAAMN COc1ccc(NC(=O)CC[C@H]2CCCN(Cc3ccccc3OC(F)F)C2)c(C)c1 ZINC000011944312 556379948 /nfs/dbraw/zinc/37/99/48/556379948.db2.gz RRLKYHCKDSUQNS-GOSISDBHSA-N 0 1 432.511 5.236 50 0 IKAAMN OC[C@@]1(Cc2cccc(Cl)c2)CCCN(Cc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000011949048 556380312 /nfs/dbraw/zinc/38/03/12/556380312.db2.gz LRWVCSHHXZZASV-HSZRJFAPSA-N 0 1 430.976 5.420 50 0 IKAAMN C[C@@H](NCc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1)c1ccc2c(c1)CCCC2 ZINC000014241898 556402334 /nfs/dbraw/zinc/40/23/34/556402334.db2.gz NWXVOSAYWXICGH-OAHLLOKOSA-N 0 1 433.552 5.520 50 0 IKAAMN C[C@H](NCc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1)c1ccc2c(c1)CCCC2 ZINC000014241899 556402367 /nfs/dbraw/zinc/40/23/67/556402367.db2.gz NWXVOSAYWXICGH-HNNXBMFYSA-N 0 1 433.552 5.520 50 0 IKAAMN CCc1ccc([C@@H]2c3c(n[nH]c3-c3ccc(OC)cc3)C(=O)N2CCc2ccccc2)cc1 ZINC000032593541 556406961 /nfs/dbraw/zinc/40/69/61/556406961.db2.gz PFXBSSOGGTXTSX-HHHXNRCGSA-N 0 1 437.543 5.436 50 0 IKAAMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1oc2ccccc2c1COc1ccccc1 ZINC000014252507 556409569 /nfs/dbraw/zinc/40/95/69/556409569.db2.gz NGACEMAFJHQODR-OAQYLSRUSA-N 0 1 426.516 5.016 50 0 IKAAMN 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/nfs/dbraw/zinc/53/58/58/556535858.db2.gz RJCVIQJLSMYNLJ-UHFFFAOYSA-N 0 1 425.315 6.735 50 0 IKAAMN C[N@H+](Cc1ccccc1NC(=O)Cn1c(=S)[n-]nc1-c1cccs1)C1CCCCC1 ZINC000032902904 556540953 /nfs/dbraw/zinc/54/09/53/556540953.db2.gz VQWXVKLJIOPXOM-UHFFFAOYSA-N 0 1 441.626 5.072 50 0 IKAAMN C[N@@H+](Cc1ccccc1NC(=O)Cn1c(=S)[n-]nc1-c1cccs1)C1CCCCC1 ZINC000032902904 556540957 /nfs/dbraw/zinc/54/09/57/556540957.db2.gz VQWXVKLJIOPXOM-UHFFFAOYSA-N 0 1 441.626 5.072 50 0 IKAAMN O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)c1cc(-c2cccs2)on1 ZINC000015669800 556541892 /nfs/dbraw/zinc/54/18/92/556541892.db2.gz QRMVOBWQXGWYCZ-UHFFFAOYSA-N 0 1 434.955 5.453 50 0 IKAAMN O=C(NC[C@H](c1ccccc1)N1CCCCC1)c1cc(-c2ccc3c(c2)CCCC3)on1 ZINC000032622651 556543028 /nfs/dbraw/zinc/54/30/28/556543028.db2.gz ZJBOBFPCHJSZKB-RUZDIDTESA-N 0 1 429.564 5.177 50 0 IKAAMN COc1cc(OC)c(-c2nc(-c3cccc4ccccc43)c(-c3ccccc3)[nH]2)cc1OC ZINC000015685445 556543265 /nfs/dbraw/zinc/54/32/65/556543265.db2.gz KBGHXQDQZYQILZ-UHFFFAOYSA-N 0 1 436.511 6.590 50 0 IKAAMN C[N@@H+](Cc1ccccc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F)C1CCCCC1 ZINC000032905429 556548537 /nfs/dbraw/zinc/54/85/37/556548537.db2.gz MVPMPCDAWHKSTD-UHFFFAOYSA-N 0 1 442.503 5.151 50 0 IKAAMN CC(C)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OCc4ccccc4)cc2)N3)C1 ZINC000015946361 556567410 /nfs/dbraw/zinc/56/74/10/556567410.db2.gz YOQMTSMSLAIEBI-QHCPKHFHSA-N 0 1 433.577 5.523 50 0 IKAAMN CCn1c(CCc2ccc(NC(=O)c3cc(-c4cccs4)n[nH]3)cc2)nc2ccccc21 ZINC000032960785 556571119 /nfs/dbraw/zinc/57/11/19/556571119.db2.gz UYPWBEIEUMHTQR-UHFFFAOYSA-N 0 1 441.560 5.545 50 0 IKAAMN CCC[C@@H](O)CN(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)C1CC1 ZINC000036301780 556596267 /nfs/dbraw/zinc/59/62/67/556596267.db2.gz ASPJGJRMHVKFJA-JOCHJYFZSA-N 0 1 439.987 5.752 50 0 IKAAMN Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000005043254 556626826 /nfs/dbraw/zinc/62/68/26/556626826.db2.gz HUCNIQNWHZLKDT-KKSFZXQISA-N 0 1 429.992 5.210 50 0 IKAAMN Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC[C@H](C(=O)NC2CCC(C)CC2)C1 ZINC000005044185 556627060 /nfs/dbraw/zinc/62/70/60/556627060.db2.gz DIILNPYLFHOKIC-BSLVTKGXSA-N 0 1 429.992 5.210 50 0 IKAAMN CCc1ccc(-c2nc(CN3CCC[C@H](C(=O)NCCC4=CCCCC4)C3)c(C)o2)cc1 ZINC000005056129 556627704 /nfs/dbraw/zinc/62/77/04/556627704.db2.gz IWZXIILEZCMESX-DEOSSOPVSA-N 0 1 435.612 5.431 50 0 IKAAMN COc1cccc(CN2CCC(N(C(=O)c3ccccc3F)c3ccc(C)cc3)CC2)c1 ZINC000037560822 556643244 /nfs/dbraw/zinc/64/32/44/556643244.db2.gz JJBIIUORTCVIKG-UHFFFAOYSA-N 0 1 432.539 5.454 50 0 IKAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@H](c2ccc(F)cc2)N(Cc2cccnc2)C3=O)cc1Cl ZINC000016995693 556652520 /nfs/dbraw/zinc/65/25/20/556652520.db2.gz UIVXJZOCCAWDMJ-QHCPKHFHSA-N 0 1 448.885 5.024 50 0 IKAAMN Cc1nn(Cc2ccccc2F)c(C)c1NS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000017096619 556660478 /nfs/dbraw/zinc/66/04/78/556660478.db2.gz OVBLRTODAXPBET-UHFFFAOYSA-N 0 1 429.561 5.030 50 0 IKAAMN COc1ccc2nc(S[C@@H](C(=O)Nc3cccc(C(C)=O)c3)c3ccccc3)[nH]c2c1 ZINC000018210235 556687152 /nfs/dbraw/zinc/68/71/52/556687152.db2.gz XGDCHCXXOCVUGL-JOCHJYFZSA-N 0 1 431.517 5.246 50 0 IKAAMN O=c1[nH]c(CN2CCCC3(CCCCC3)C2)nc2c1C1(CCCCC1)Cc1ccccc1-2 ZINC000018284863 556689081 /nfs/dbraw/zinc/68/90/81/556689081.db2.gz KTKCDBRTSAHEMW-UHFFFAOYSA-N 0 1 431.624 5.741 50 0 biogenic IKAAMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1sc2cc(F)ccc2c1Cl ZINC000024276203 556699946 /nfs/dbraw/zinc/69/99/46/556699946.db2.gz BLNLQQCLMHKGPY-UHFFFAOYSA-N 0 1 437.367 5.742 50 0 IKAAMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(-c3cc4cc(Cl)ccc4[nH]3)cc2)c1 ZINC000033025778 556701458 /nfs/dbraw/zinc/70/14/58/556701458.db2.gz YAYWQSZKOVFXPP-UHFFFAOYSA-N 0 1 442.924 5.306 50 0 IKAAMN CN(Cc1nc2ccc(Cl)cc2[nH]1)Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000019228323 556717392 /nfs/dbraw/zinc/71/73/92/556717392.db2.gz HPDZQKRJXAZATR-UHFFFAOYSA-N 0 1 443.938 5.412 50 0 IKAAMN O=C(Nc1ccccc1-c1ccccc1)N1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 ZINC000055107552 556734875 /nfs/dbraw/zinc/73/48/75/556734875.db2.gz LNPVJWNAAMDRBI-RUZDIDTESA-N 0 1 440.591 5.172 50 0 IKAAMN COc1ccc(Cl)cc1-c1cc2c(c(OC)c1)OCCN(Cc1sccc1C)C2 ZINC000055281714 556739764 /nfs/dbraw/zinc/73/97/64/556739764.db2.gz ZMHXPLVPBVKBMB-UHFFFAOYSA-N 0 1 429.969 5.789 50 0 IKAAMN CCn1c2ccccc2c2cc(CN3CCN(Cc4cccc(OC)c4OC)CC3)ccc21 ZINC000019369749 556747507 /nfs/dbraw/zinc/74/75/07/556747507.db2.gz AHLTXGYXZMGAOA-UHFFFAOYSA-N 0 1 443.591 5.149 50 0 IKAAMN CN(C)C=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 ZINC000059593481 556802919 /nfs/dbraw/zinc/80/29/19/556802919.db2.gz CSQFZLPXGVZDMH-UHFFFAOYSA-N 0 1 425.575 7.668 50 0 IKAAMN CCCOc1c2cc(NC(=O)c3cc(-c4cccs4)n[nH]3)ccc2sc1C(=O)OC ZINC000033123491 556863895 /nfs/dbraw/zinc/86/38/95/556863895.db2.gz CSLHKPJOEDZEMG-UHFFFAOYSA-N 0 1 441.534 5.181 50 0 IKAAMN Cn1c(-c2ccc(Cl)cc2)cnc1NCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000004678392 556873578 /nfs/dbraw/zinc/87/35/78/556873578.db2.gz ACAFGGNTLZEKFG-UHFFFAOYSA-N 0 1 426.004 6.653 50 0 IKAAMN CSc1cccc(NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)sc2C)c1 ZINC000033173747 556883520 /nfs/dbraw/zinc/88/35/20/556883520.db2.gz UOJQPQRXELRUSM-UHFFFAOYSA-N 0 1 434.486 5.253 50 0 IKAAMN Cc1sc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1-c1cc(C(F)(F)F)on1 ZINC000033173905 556883968 /nfs/dbraw/zinc/88/39/68/556883968.db2.gz IKALOHCTUHLQQY-UHFFFAOYSA-N 0 1 430.473 5.456 50 0 IKAAMN Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)Nc1c(C)cc(C)cc1C ZINC000033173846 556884030 /nfs/dbraw/zinc/88/40/30/556884030.db2.gz BZDFVZIEYRXOCM-UHFFFAOYSA-N 0 1 429.489 5.191 50 0 IKAAMN COc1cccc(-c2nc(CN3CCC(Sc4ccc(F)cc4)CC3)c(C)o2)c1OC ZINC000019792774 556915682 /nfs/dbraw/zinc/91/56/82/556915682.db2.gz AUBRUEDWOOZVDN-UHFFFAOYSA-N 0 1 442.556 5.563 50 0 IKAAMN CCCCCOc1ccc([C@](O)(CC(C)C)[C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000019851230 556930675 /nfs/dbraw/zinc/93/06/75/556930675.db2.gz FVWAVGXBYNLLFE-VSGBNLITSA-N 0 1 439.640 5.605 50 0 IKAAMN CCCCCOc1ccc([C@](O)(C(C)C)[C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000019851251 556930852 /nfs/dbraw/zinc/93/08/52/556930852.db2.gz NMTSUZDLHHSAJZ-RRPNLBNLSA-N 0 1 425.613 5.215 50 0 IKAAMN CCCCCOc1ccc([C@](O)(C(C)C)[C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000019851258 556930907 /nfs/dbraw/zinc/93/09/07/556930907.db2.gz NMTSUZDLHHSAJZ-KAYWLYCHSA-N 0 1 425.613 5.215 50 0 IKAAMN CCc1ccc(CN2CCN(Cc3ccc(OC)c(OCc4ccccc4)c3)CC2)cc1 ZINC000019889964 556938821 /nfs/dbraw/zinc/93/88/21/556938821.db2.gz JKVZGENFSOSXGD-UHFFFAOYSA-N 0 1 430.592 5.154 50 0 IKAAMN COc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c(OC)c1 ZINC000013948067 556976382 /nfs/dbraw/zinc/97/63/82/556976382.db2.gz SXTCUOGCDJXTSI-UHFFFAOYSA-N 0 1 440.546 5.090 50 0 IKAAMN Brc1ccc(OCc2ccccn2)c([C@H]2NCCc3c4ccccc4[nH]c32)c1 ZINC000020111544 556986057 /nfs/dbraw/zinc/98/60/57/556986057.db2.gz JTWMFCPJMLUFQR-JOCHJYFZSA-N 0 1 434.337 5.140 50 0 biogenic IKAAMN Cc1ncc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)s1 ZINC000020119818 556987489 /nfs/dbraw/zinc/98/74/89/556987489.db2.gz FNLUUFDHZSIWET-UHFFFAOYSA-N 0 1 425.529 5.234 50 0 IKAAMN O=C(c1nc2sccn2c1CN1CCC[C@@H](c2ccccc2)C1)N1CCCCCCC1 ZINC000020210237 556998619 /nfs/dbraw/zinc/99/86/19/556998619.db2.gz GGMBDMXTFTXZHT-OAQYLSRUSA-N 0 1 436.625 5.182 50 0 IKAAMN COc1cc(Cl)c(CN2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)cc1OC ZINC000020351159 557009253 /nfs/dbraw/zinc/00/92/53/557009253.db2.gz ATTHSMBIXSOKOI-CQSZACIVSA-N 0 1 447.913 5.405 50 0 IKAAMN Cc1ccc(-c2csc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cc1 ZINC000020394077 557013045 /nfs/dbraw/zinc/01/30/45/557013045.db2.gz QANOCFGYWSCCIP-UHFFFAOYSA-N 0 1 425.601 6.030 50 0 IKAAMN FC(F)(F)Oc1ccc([C@@H]2c3ccsc3CCN2Cc2c[nH]c3ccccc23)cc1 ZINC000020432016 557016188 /nfs/dbraw/zinc/01/61/88/557016188.db2.gz ZQULYNPKHXTJFS-JOCHJYFZSA-N 0 1 428.479 6.276 50 0 IKAAMN CCCN(Cc1ccc(OCC)cc1)Cc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000046032479 557025088 /nfs/dbraw/zinc/02/50/88/557025088.db2.gz FEXMJJYMGKQWJO-UHFFFAOYSA-N 0 1 440.613 5.010 50 0 IKAAMN Cc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCN(C(C)C)C3)cc1 ZINC000023153842 557028737 /nfs/dbraw/zinc/02/87/37/557028737.db2.gz IRPWKBDMARFQMR-UHFFFAOYSA-N 0 1 447.629 6.352 50 0 IKAAMN Cc1nn(-c2cccc(C)c2C)c2c1[C@H](C(=O)c1ccc(C3CCCCC3)cc1)CC(=O)N2 ZINC000046057323 557029112 /nfs/dbraw/zinc/02/91/12/557029112.db2.gz HWGQMTPAAGSRMA-HSZRJFAPSA-N 0 1 441.575 6.154 50 0 IKAAMN CCCCc1ccc(NC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022919277 557046282 /nfs/dbraw/zinc/04/62/82/557046282.db2.gz RDCXCVNMMYIXGU-UHFFFAOYSA-N 0 1 441.619 5.375 50 0 IKAAMN c1ccc(CN2CCN(Cc3c(C45CC6CC(CC(C6)C4)C5)nc4ccccn43)CC2)cc1 ZINC000022920883 557047329 /nfs/dbraw/zinc/04/73/29/557047329.db2.gz SQMWTRQJTZBNKE-UHFFFAOYSA-N 0 1 440.635 5.120 50 0 IKAAMN CCOc1ccc(-n2c3nc(SCc4cccc(C)c4)[nH]c(=O)c3sc2=S)cc1 ZINC000032948219 557047948 /nfs/dbraw/zinc/04/79/48/557047948.db2.gz XHPNABGOSDWGLW-UHFFFAOYSA-N 0 1 441.603 5.504 50 0 IKAAMN C[C@H](NCc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccccc1Br ZINC000017312615 557055999 /nfs/dbraw/zinc/05/59/99/557055999.db2.gz METMWUXNQIVPMG-SFHVURJKSA-N 0 1 447.380 5.607 50 0 IKAAMN C[C@H](NCc1ccc(-c2ccc(C(F)(F)F)cc2)o1)c1ccc(NS(C)(=O)=O)cc1 ZINC000048285647 557057898 /nfs/dbraw/zinc/05/78/98/557057898.db2.gz ULOALJPVVTZJMA-AWEZNQCLSA-N 0 1 438.471 5.188 50 0 IKAAMN O=C(COc1cc(Cl)ccc1Cl)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000023055215 557060827 /nfs/dbraw/zinc/06/08/27/557060827.db2.gz OHRVSKRCOJBXNZ-JOCHJYFZSA-N 0 1 426.303 5.154 50 0 IKAAMN Cc1sc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1-c1cc(C(F)(F)F)on1 ZINC000033299365 557077608 /nfs/dbraw/zinc/07/76/08/557077608.db2.gz YRVHUAOUPPCZHP-UHFFFAOYSA-N 0 1 430.473 5.456 50 0 IKAAMN O=S(=O)(N[C@@H](CNC(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000023634588 557101889 /nfs/dbraw/zinc/10/18/89/557101889.db2.gz YVIDMNAOVNPKEF-SANMLTNESA-N 0 1 442.584 5.085 50 0 IKAAMN FC(F)(F)c1cccc(-c2noc(CN3CCC[C@@H](c4nc5ccccc5o4)C3)n2)c1 ZINC000024668132 557158066 /nfs/dbraw/zinc/15/80/66/557158066.db2.gz ZXSUYZHXFHPNGC-OAHLLOKOSA-N 0 1 428.414 5.276 50 0 IKAAMN FC(F)(F)c1cccc(-c2noc(CN3CCC[C@H](c4nc5ccccc5o4)C3)n2)c1 ZINC000024668139 557158077 /nfs/dbraw/zinc/15/80/77/557158077.db2.gz ZXSUYZHXFHPNGC-HNNXBMFYSA-N 0 1 428.414 5.276 50 0 IKAAMN CC(C)(C)[C@@H]1CCCC2=C1[NH2+]N(c1nc(-c3ccc(F)cc3)cs1)[C@@]2([O-])C(F)(F)F ZINC000016957532 557158884 /nfs/dbraw/zinc/15/88/84/557158884.db2.gz KKBBMOZXYZHLCD-SXGZJXTBSA-N 0 1 441.494 5.839 50 0 IKAAMN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)c1[nH]nc2ccccc21 ZINC000025139518 557196507 /nfs/dbraw/zinc/19/65/07/557196507.db2.gz MBUVPWVCJIEARO-UHFFFAOYSA-N 0 1 441.922 5.341 50 0 IKAAMN COc1cc(C(=O)NC[C@H](c2cccs2)N(C)C)ccc1OCc1ccccc1Cl ZINC000025573127 557215274 /nfs/dbraw/zinc/21/52/74/557215274.db2.gz ICGZIGYWMGKWBQ-LJQANCHMSA-N 0 1 444.984 5.022 50 0 IKAAMN O=S(=O)(Nc1ccccc1C(F)(F)F)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098072709 557233066 /nfs/dbraw/zinc/23/30/66/557233066.db2.gz NKVQPHQVZPAULD-UHFFFAOYSA-N 0 1 448.182 5.288 50 0 IKAAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000100426945 557260821 /nfs/dbraw/zinc/26/08/21/557260821.db2.gz DQHZFFNZBCXZDN-CRICUBBOSA-N 0 1 432.907 6.503 50 0 IKAAMN CC(C)(C)c1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000101144867 557261988 /nfs/dbraw/zinc/26/19/88/557261988.db2.gz FEXTXOKTCVPOFJ-VXNXHJTFSA-N 0 1 444.506 5.174 50 0 IKAAMN CC(C)(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000101144867 557261990 /nfs/dbraw/zinc/26/19/90/557261990.db2.gz FEXTXOKTCVPOFJ-VXNXHJTFSA-N 0 1 444.506 5.174 50 0 IKAAMN COc1ccccc1Nc1c2cc(NC(=O)c3cccc(F)c3)ccc2nc2c1CCCC2 ZINC000101482965 557288009 /nfs/dbraw/zinc/28/80/09/557288009.db2.gz RZUFUORDVMMGBK-UHFFFAOYSA-N 0 1 441.506 6.257 50 0 IKAAMN O=C(CSc1nc2ccc(Br)cc2[nH]1)c1ccc(Br)cc1 ZINC000000834017 557326934 /nfs/dbraw/zinc/32/69/34/557326934.db2.gz BGMYDIKCGCLXMV-UHFFFAOYSA-N 0 1 426.133 5.063 50 0 IKAAMN CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc3ccccc3c1)c1ccccc21 ZINC000000834428 557329247 /nfs/dbraw/zinc/32/92/47/557329247.db2.gz KNZXEISZRJTYCR-UHFFFAOYSA-N 0 1 429.497 6.051 50 0 IKAAMN CCOc1ccc(NS(=O)(=O)c2c(C)sc(C)c2-c2cc(C(F)(F)F)on2)cc1 ZINC000033299344 557331052 /nfs/dbraw/zinc/33/10/52/557331052.db2.gz JLGUJNJYBYIYPL-UHFFFAOYSA-N 0 1 446.472 5.238 50 0 IKAAMN C[C@H]1CCCN(Cc2csc(-c3cccc(-c4cccc(OC(F)(F)F)c4)c3)n2)C1 ZINC000023430707 557355270 /nfs/dbraw/zinc/35/52/70/557355270.db2.gz PWBHRVRXSNEEDE-INIZCTEOSA-N 0 1 432.511 6.608 50 0 IKAAMN O=C(NCCCc1ccccc1)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1 ZINC000023448699 557356246 /nfs/dbraw/zinc/35/62/46/557356246.db2.gz FEOGNPRZYMYVAQ-UHFFFAOYSA-N 0 1 449.476 6.125 50 0 IKAAMN C[C@@H](NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1)c1ccccc1 ZINC000023450159 557356536 /nfs/dbraw/zinc/35/65/36/557356536.db2.gz BAORDOTYIXUSQS-OAHLLOKOSA-N 0 1 436.342 6.542 50 0 IKAAMN CN(Cc1ccccc1)C(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023450631 557356910 /nfs/dbraw/zinc/35/69/10/557356910.db2.gz INGWLFDSRJNINN-UHFFFAOYSA-N 0 1 436.342 6.323 50 0 IKAAMN C[C@H](NC(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1)c1ccccc1 ZINC000023451314 557357182 /nfs/dbraw/zinc/35/71/82/557357182.db2.gz OUWWRNOWHSTHTI-INIZCTEOSA-N 0 1 435.449 6.254 50 0 IKAAMN COc1cccc(CCNC(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4)[nH]n3)cc2)c1 ZINC000023441133 557357968 /nfs/dbraw/zinc/35/79/68/557357968.db2.gz BLFHJOHQPXHARJ-UHFFFAOYSA-N 0 1 431.923 5.378 50 0 biogenic IKAAMN O=C(NCc1ccccc1)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)[nH]n2)cc1 ZINC000023447371 557359154 /nfs/dbraw/zinc/35/91/54/557359154.db2.gz XYNGSXIZLHYYDR-UHFFFAOYSA-N 0 1 436.559 5.664 50 0 IKAAMN CCCCN(Cc1csc(-c2cccc(-c3ccccc3OC)c2)n1)Cc1ccccc1 ZINC000023461849 557361168 /nfs/dbraw/zinc/36/11/68/557361168.db2.gz GAULFTQEQORZKH-UHFFFAOYSA-N 0 1 442.628 7.288 50 0 IKAAMN O=C(N[C@@H]1CCc2ccccc21)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023456938 557362669 /nfs/dbraw/zinc/36/26/69/557362669.db2.gz OMDOJROIGZYLNJ-JOCHJYFZSA-N 0 1 448.353 6.468 50 0 IKAAMN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@]2(c2ccccc2)C(=O)N1c1ccccc1 ZINC000102704709 557366062 /nfs/dbraw/zinc/36/60/62/557366062.db2.gz FWDPHRPQKVGFJL-UWPQIUOOSA-N 0 1 446.506 5.060 50 0 IKAAMN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@]2(c2ccccc2)C(=O)N1c1ccccc1 ZINC000102704709 557366064 /nfs/dbraw/zinc/36/60/64/557366064.db2.gz FWDPHRPQKVGFJL-UWPQIUOOSA-N 0 1 446.506 5.060 50 0 IKAAMN COc1ccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000102775241 557382347 /nfs/dbraw/zinc/38/23/47/557382347.db2.gz SIEROZRAJQYOLF-QYBDOPJKSA-N 0 1 428.488 5.858 50 0 IKAAMN COc1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000102775243 557382351 /nfs/dbraw/zinc/38/23/51/557382351.db2.gz SIEROZRAJQYOLF-DWXRJYCRSA-N 0 1 428.488 5.858 50 0 IKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(OC)cc1 ZINC000100429580 557402667 /nfs/dbraw/zinc/40/26/67/557402667.db2.gz QPJOZWQOFMZQPP-DNOBIOAJSA-N 0 1 442.515 6.248 50 0 IKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000100429666 557402749 /nfs/dbraw/zinc/40/27/49/557402749.db2.gz DYWAUUYYCXLNMX-MRDQGFSESA-N 0 1 446.934 6.893 50 0 IKAAMN CCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(OCC)cc1 ZINC000102969892 557414274 /nfs/dbraw/zinc/41/42/74/557414274.db2.gz CNYUPWKSMXDAJH-MHZLTWQESA-N 0 1 446.591 7.068 50 0 IKAAMN Cc1ccc(C(=O)Nc2ccc(-c3c(C(C)C)[nH]n(-c4ccc(C)cc4)c3=O)cc2)cc1 ZINC000103155618 557424511 /nfs/dbraw/zinc/42/45/11/557424511.db2.gz NVHVTBDRVFTFJS-UHFFFAOYSA-N 0 1 425.532 6.237 50 0 IKAAMN Cc1ccc(C(=O)Nc2ccc(C3C(=O)N(c4cccc(F)c4)N=C3C(C)C)cc2)cc1 ZINC000103161053 557424778 /nfs/dbraw/zinc/42/47/78/557424778.db2.gz MIPIOFPJHPNOCH-UHFFFAOYSA-N 0 1 429.495 6.068 50 0 IKAAMN Cc1ccc(C(=O)Nc2ccc(-c3c(=O)n(-c4cccc(F)c4)[nH]c3C(C)C)cc2)cc1 ZINC000103161053 557424783 /nfs/dbraw/zinc/42/47/83/557424783.db2.gz MIPIOFPJHPNOCH-UHFFFAOYSA-N 0 1 429.495 6.068 50 0 IKAAMN Cn1c(CCc2ccc(NC(=O)c3[nH]nc4c3CCc3ccccc3-4)cc2)nc2ccccc21 ZINC000045901811 557546801 /nfs/dbraw/zinc/54/68/01/557546801.db2.gz DZRMXFRUWFJUDS-UHFFFAOYSA-N 0 1 447.542 5.100 50 0 IKAAMN Cc1cc([C@@H](c2ccc(Cl)cc2)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546232 557591233 /nfs/dbraw/zinc/59/12/33/557591233.db2.gz CNQLEOBFBDZGOU-OAQYLSRUSA-N 0 1 428.985 6.377 50 0 IKAAMN CCOc1ccc([C@@H](c2cc(C)sc2NC(=O)c2ccco2)N2CCC(C)CC2)cc1 ZINC000038546253 557591285 /nfs/dbraw/zinc/59/12/85/557591285.db2.gz LFXNIHBLGXRYSH-QHCPKHFHSA-N 0 1 438.593 6.122 50 0 IKAAMN CCN1CCN([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccccc2)CC1 ZINC000038546565 557591480 /nfs/dbraw/zinc/59/14/80/557591480.db2.gz MBRQRANUHUQHGG-DEOSSOPVSA-N 0 1 449.620 5.199 50 0 IKAAMN Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc3ccccc32)c1 ZINC000229953233 557834191 /nfs/dbraw/zinc/83/41/91/557834191.db2.gz VCKMBHWNGBOGEH-JIMJEQGWSA-N 0 1 434.495 5.199 50 0 IKAAMN Cc1ccc(-c2cc(C(=O)Nc3c4ccccc4oc3C(=O)c3ccccc3)no2)cc1F ZINC000008587286 562950267 /nfs/dbraw/zinc/95/02/67/562950267.db2.gz QMNSZRSSQTYTDD-UHFFFAOYSA-N 0 1 440.430 6.019 50 0 IKAAMN O=C(CSc1[nH]c(-c2ccccc2)nc1-c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000008594669 562953032 /nfs/dbraw/zinc/95/30/32/562953032.db2.gz LEFNNUCWVLCOLQ-UHFFFAOYSA-N 0 1 429.501 5.203 50 0 IKAAMN O=C(CSc1[nH]c(-c2cccc(F)c2)nc1-c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000008594687 562953080 /nfs/dbraw/zinc/95/30/80/562953080.db2.gz RLKHLJOQEKRCCU-UHFFFAOYSA-N 0 1 447.491 5.342 50 0 aggregator IKAAMN O=C(NCC1CCN(Cc2cccc(Cl)c2)CC1)c1cc2ccc3cccnc3c2[nH]1 ZINC000008596188 562953810 /nfs/dbraw/zinc/95/38/10/562953810.db2.gz ABUSQRGJFWCZDC-UHFFFAOYSA-N 0 1 432.955 5.012 50 0 IKAAMN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccccc3)on2)cc1F ZINC000008673967 562961366 /nfs/dbraw/zinc/96/13/66/562961366.db2.gz DQOXHGBDRMSBQV-UHFFFAOYSA-N 0 1 440.430 6.019 50 0 IKAAMN O=C(Nc1c2ccccc2oc1C(=O)c1ccc(F)cc1)c1cc(-c2ccccc2)on1 ZINC000008673961 562961377 /nfs/dbraw/zinc/96/13/77/562961377.db2.gz CHKWBZANYHKOBU-UHFFFAOYSA-N 0 1 426.403 5.710 50 0 IKAAMN Cc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2SCC(=O)NC[C@H]2CCCO2)cc1 ZINC000008683342 562961931 /nfs/dbraw/zinc/96/19/31/562961931.db2.gz XXUHWZPUSQIHCR-LJQANCHMSA-N 0 1 441.984 5.093 50 0 IKAAMN CC[C@@H]1CCCC[N@H+]1C[C@H](C(C)=O)[C@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000016958108 563021177 /nfs/dbraw/zinc/02/11/77/563021177.db2.gz NMNHSZRPCOBOLX-BKULYWANSA-N 0 1 433.548 5.100 50 0 IKAAMN CC(C)N1CCc2c(sc(NC(=O)c3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000017113399 563021368 /nfs/dbraw/zinc/02/13/68/563021368.db2.gz LDASSBMVRRUNIQ-UHFFFAOYSA-N 0 1 433.602 6.044 50 0 IKAAMN O[C@@H](CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1)c1ccccc1 ZINC000104983661 568622936 /nfs/dbraw/zinc/62/29/36/568622936.db2.gz RXGRISKPTXXVQF-NOZRDPDXSA-N 0 1 438.930 5.208 50 0 IKAAMN CC(C)(C)c1csc(-c2csc(S(=O)(=O)Nc3cccc(Cl)c3F)c2)n1 ZINC000033297819 568626244 /nfs/dbraw/zinc/62/62/44/568626244.db2.gz ZPMMBFIHXIQTKT-UHFFFAOYSA-N 0 1 430.979 5.762 50 0 IKAAMN O=C(NCCCCc1ccccc1)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000025145805 568641156 /nfs/dbraw/zinc/64/11/56/568641156.db2.gz NDYXTFRFNHGIGU-UHFFFAOYSA-N 0 1 445.566 6.650 50 0 IKAAMN COc1cccc(-c2cc(-c3ccc(C(=O)NCc4cccc5ccccc54)cc3)[nH]n2)c1 ZINC000025147626 568641329 /nfs/dbraw/zinc/64/13/29/568641329.db2.gz KEVYQMUQWRJVDV-UHFFFAOYSA-N 0 1 433.511 5.836 50 0 IKAAMN O=C(NCc1ccccc1Cl)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000025149557 568642826 /nfs/dbraw/zinc/64/28/26/568642826.db2.gz OTMAHFBKEWRYCR-UHFFFAOYSA-N 0 1 437.930 6.480 50 0 IKAAMN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000025464487 568660582 /nfs/dbraw/zinc/66/05/82/568660582.db2.gz SVABAGPKYOIOEM-UHFFFAOYSA-N 0 1 441.934 5.009 50 0 IKAAMN c1ccc(Cc2nc3ccc(Oc4ccc5[nH]c(Cc6ccccc6)nc5c4)cc3[nH]2)cc1 ZINC000004059920 568759939 /nfs/dbraw/zinc/75/99/39/568759939.db2.gz YWQHBIBQCWZZIM-UHFFFAOYSA-N 0 1 430.511 6.413 50 0 IKAAMN CCc1cc([C@@H](c2ccc(OC)cc2)N2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000001298671 568778753 /nfs/dbraw/zinc/77/87/53/568778753.db2.gz QSXNDEJXZMLTSO-XMMPIXPASA-N 0 1 434.605 6.147 50 0 IKAAMN COc1ccc(Cl)cc1NC(=O)c1sc(N2N=C(C)C(CCC(C)C)C2=O)nc1C ZINC000015671522 568802611 /nfs/dbraw/zinc/80/26/11/568802611.db2.gz WDNKMYFPQRUZHA-UHFFFAOYSA-N 0 1 448.976 5.154 50 0 IKAAMN Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(Cl)cc2)N2CCCCC2)c1C ZINC000001448862 568817640 /nfs/dbraw/zinc/81/76/40/568817640.db2.gz FGCTXABKSPVAJP-NRFANRHFSA-N 0 1 428.985 6.439 50 0 IKAAMN Cc1ccccc1-c1nc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cs1 ZINC000001460307 568819895 /nfs/dbraw/zinc/81/98/95/568819895.db2.gz QEFPZXYMKGDWQS-UHFFFAOYSA-N 0 1 439.628 6.026 50 0 IKAAMN Cc1nc(N2N=C(C)C(Cc3ccc(C)cc3)C2=O)sc1C(=O)Nc1ccc(C)cc1C ZINC000015858748 568846731 /nfs/dbraw/zinc/84/67/31/568846731.db2.gz UTDYLCUPHRTZEP-UHFFFAOYSA-N 0 1 446.576 5.420 50 0 IKAAMN Cc1nc(N2N=C(C)C(Cc3ccc(C)cc3)C2=O)sc1C(=O)Nc1ccccc1C ZINC000015858752 568846951 /nfs/dbraw/zinc/84/69/51/568846951.db2.gz UWODVISOFHVBNN-UHFFFAOYSA-N 0 1 432.549 5.111 50 0 IKAAMN CC1CCN([C@H](c2oc3ccccc3c2NC(=O)c2ccco2)c2cccc(F)c2)CC1 ZINC000015859327 568847248 /nfs/dbraw/zinc/84/72/48/568847248.db2.gz JGPZBCXLXNRZFS-DEOSSOPVSA-N 0 1 432.495 6.239 50 0 IKAAMN O=C(Nc1c2ccccc2oc1[C@@H](c1cccc(Cl)c1)N1CCCCC1)c1ccccc1 ZINC000015859495 568847382 /nfs/dbraw/zinc/84/73/82/568847382.db2.gz FPIXXXDDYMAUOD-RUZDIDTESA-N 0 1 444.962 6.914 50 0 IKAAMN O=C(Nc1c2ccccc2oc1[C@@H](c1ccccc1Cl)N1CCCCC1)c1ccccc1 ZINC000015859501 568847476 /nfs/dbraw/zinc/84/74/76/568847476.db2.gz GLXGYGKOJJCKKS-RUZDIDTESA-N 0 1 444.962 6.914 50 0 IKAAMN O=C(Nc1c2ccccc2oc1[C@H](c1ccc(Cl)cc1)N1CCCC1)c1ccccc1 ZINC000015859492 568847521 /nfs/dbraw/zinc/84/75/21/568847521.db2.gz NAIWYLGBMHAMDG-DEOSSOPVSA-N 0 1 430.935 6.524 50 0 IKAAMN O=C(Nc1c2ccccc2oc1[C@@H](c1cccc(F)c1)N1CCCCC1)c1ccccc1 ZINC000015859515 568847680 /nfs/dbraw/zinc/84/76/80/568847680.db2.gz VAKHTOLRSHKXMH-RUZDIDTESA-N 0 1 428.507 6.400 50 0 IKAAMN Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@H](c2cccnc2)N2CCC(C)CC2)cc1 ZINC000015859603 568847817 /nfs/dbraw/zinc/84/78/17/568847817.db2.gz GNIAYLJMXLPGEH-SANMLTNESA-N 0 1 439.559 6.210 50 0 IKAAMN Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@H](c2cccc(F)c2)N2CCCCC2)cc1 ZINC000015859591 568847885 /nfs/dbraw/zinc/84/78/85/568847885.db2.gz ZBPYMXNIVOFYBG-SANMLTNESA-N 0 1 442.534 6.708 50 0 IKAAMN Cc1ccc(S(=O)(=O)Nc2nc3c(cc(NC(=O)C4CCCCC4)cc3C)s2)cc1 ZINC000015862035 568848391 /nfs/dbraw/zinc/84/83/91/568848391.db2.gz NJRZVYZRFKXLMZ-UHFFFAOYSA-N 0 1 443.594 5.233 50 0 IKAAMN CCOc1ccc(CN(Cc2ccccc2)Cc2cc(=O)c3ccc(C)c(C)c3[nH]2)cc1 ZINC000015862360 568848639 /nfs/dbraw/zinc/84/86/39/568848639.db2.gz YQQFUUWMJFUCEH-UHFFFAOYSA-N 0 1 426.560 5.746 50 0 IKAAMN CCOc1ccc(CN(Cc2ccccc2)Cc2cc(=O)c3cc(C)cc(C)c3[nH]2)cc1 ZINC000015862361 568848644 /nfs/dbraw/zinc/84/86/44/568848644.db2.gz BNXFNYYUTUQPHT-UHFFFAOYSA-N 0 1 426.560 5.746 50 0 IKAAMN Cc1ccc2nc(CCc3cccc(NC(=O)c4cccc(Br)c4)c3)[nH]c2c1 ZINC000015863606 568849266 /nfs/dbraw/zinc/84/92/66/568849266.db2.gz HDDUUNJUGQUOJZ-UHFFFAOYSA-N 0 1 434.337 5.671 50 0 IKAAMN O=C(Nc1cccc(CCc2nc3ccccc3[nH]2)c1)c1[nH]nc2c1CCc1ccccc1-2 ZINC000015863645 568849306 /nfs/dbraw/zinc/84/93/06/568849306.db2.gz MHAGEWPTPAWORF-UHFFFAOYSA-N 0 1 433.515 5.089 50 0 IKAAMN CCc1c(C)sc2c1CCN(CC(=O)N1CCCc3ccccc31)[C@@H]2c1ccccc1 ZINC000015864853 568850281 /nfs/dbraw/zinc/85/02/81/568850281.db2.gz FTEOHRNJMDCPCH-AREMUKBSSA-N 0 1 430.617 5.546 50 0 IKAAMN CCc1c(C)sc2c1CCN(Cc1cccc(Br)c1)[C@H]2c1ccccc1 ZINC000015864906 568850284 /nfs/dbraw/zinc/85/02/84/568850284.db2.gz HSHRTZSJGUFDJW-QFIPXVFZSA-N 0 1 426.423 6.529 50 0 IKAAMN CCc1c(C)sc2c1CCN(Cc1nc(-c3ccc(C)cc3)oc1C)[C@@H]2c1ccccc1 ZINC000015864877 568850321 /nfs/dbraw/zinc/85/03/21/568850321.db2.gz FTEXZDQPZDDIIW-AREMUKBSSA-N 0 1 442.628 7.038 50 0 IKAAMN CCc1c(C)sc2c1CCN(Cc1nc(-c3ccccc3C)oc1C)[C@@H]2c1ccccc1 ZINC000015864861 568850381 /nfs/dbraw/zinc/85/03/81/568850381.db2.gz RSKCCVXMDUHQSA-AREMUKBSSA-N 0 1 442.628 7.038 50 0 IKAAMN Cc1c(S(=O)(=O)Nc2cccc(F)c2)cc(-c2nc(-c3ccc(F)cc3)cs2)n1C ZINC000064668133 568943062 /nfs/dbraw/zinc/94/30/62/568943062.db2.gz DFKLTEXKTOUIAH-UHFFFAOYSA-N 0 1 445.516 5.203 50 0 IKAAMN Cc1cc(Nc2ccc([N-]S(=O)(=O)c3cccs3)cc2)nc(NC2CCCCC2)[nH+]1 ZINC000064802048 568961845 /nfs/dbraw/zinc/96/18/45/568961845.db2.gz QQXVBULOZFXOIF-UHFFFAOYSA-N 0 1 443.598 5.136 50 0 IKAAMN O[C@H](CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2F)=NO1)c1ccccc1 ZINC000036146240 568962269 /nfs/dbraw/zinc/96/22/69/568962269.db2.gz IFAYMVSPTMFJPH-SQJMNOBHSA-N 0 1 438.930 5.208 50 0 IKAAMN Cc1ccc(CN(Cc2ccc(C(O)(c3cccs3)c3cccs3)o2)C2CC2)cc1 ZINC000036202827 568972534 /nfs/dbraw/zinc/97/25/34/568972534.db2.gz OZUXKTCBVWPKKZ-UHFFFAOYSA-N 0 1 435.614 6.160 50 0 IKAAMN O=c1cc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2cc(Cl)ccc2o1 ZINC000019371290 568989500 /nfs/dbraw/zinc/98/95/00/568989500.db2.gz WBAZASIHBCHIIX-UHFFFAOYSA-N 0 1 444.962 5.354 50 0 IKAAMN C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000036321643 569000573 /nfs/dbraw/zinc/00/05/73/569000573.db2.gz YVMWNDCPJMVOFO-UXHICEINSA-N 0 1 448.636 5.493 50 0 IKAAMN CC(C)c1nc2ccc(C(=O)NCC3CCN(Cc4ccc(Cl)cc4)CC3)cc2o1 ZINC000064968387 569076087 /nfs/dbraw/zinc/07/60/87/569076087.db2.gz GANMKRRQMDWGQM-UHFFFAOYSA-N 0 1 425.960 5.247 50 0 IKAAMN CCOc1ccc([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CCC(C)CC2)cc1 ZINC000036344154 569080083 /nfs/dbraw/zinc/08/00/83/569080083.db2.gz UVFNTDKILYFEDT-SANMLTNESA-N 0 1 433.596 5.112 50 0 IKAAMN CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346292 569081016 /nfs/dbraw/zinc/08/10/16/569081016.db2.gz QRXNRDNESRKLRX-JOCHJYFZSA-N 0 1 425.548 5.484 50 0 IKAAMN CCCC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC000036346370 569081089 /nfs/dbraw/zinc/08/10/89/569081089.db2.gz IRCKNPSLJQZOHV-QHCPKHFHSA-N 0 1 439.575 5.875 50 0 IKAAMN CCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@H](O)CC ZINC000036346657 569081306 /nfs/dbraw/zinc/08/13/06/569081306.db2.gz OLJNWYMDXONNSS-OAQYLSRUSA-N 0 1 429.511 5.234 50 0 IKAAMN CCCN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@@H](O)CC ZINC000036346658 569081358 /nfs/dbraw/zinc/08/13/58/569081358.db2.gz OLJNWYMDXONNSS-NRFANRHFSA-N 0 1 429.511 5.234 50 0 IKAAMN CCCC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C(C)C ZINC000036346525 569081399 /nfs/dbraw/zinc/08/13/99/569081399.db2.gz UQHGIWDOHWROTQ-DEOSSOPVSA-N 0 1 449.639 6.297 50 0 IKAAMN CCCN(Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C[C@@H](C)O ZINC000036346495 569081455 /nfs/dbraw/zinc/08/14/55/569081455.db2.gz WQEGMGAKCLAMKY-HXUWFJFHSA-N 0 1 437.584 5.389 50 0 IKAAMN CCCCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)c3ccc(OC)cc3)ccc21 ZINC000065322376 569136659 /nfs/dbraw/zinc/13/66/59/569136659.db2.gz UKLPFDQDPCWKKW-UHFFFAOYSA-N 0 1 434.584 5.329 50 0 IKAAMN COc1ccc(C(=O)N(c2ccc(F)cc2)C2CCN(Cc3ccccc3OC)CC2)cc1 ZINC000037279972 569145674 /nfs/dbraw/zinc/14/56/74/569145674.db2.gz YUYYIGOZIRDUMM-UHFFFAOYSA-N 0 1 448.538 5.154 50 0 IKAAMN COc1ccc(C(=O)N(c2ccc(C)cc2)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000037280028 569145778 /nfs/dbraw/zinc/14/57/78/569145778.db2.gz MMJJUMNBLOBCFG-UHFFFAOYSA-N 0 1 432.539 5.454 50 0 IKAAMN COc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3cccc(OC)c3)CC2)cc1 ZINC000037280002 569145842 /nfs/dbraw/zinc/14/58/42/569145842.db2.gz CBTIHJHVLVOWCO-UHFFFAOYSA-N 0 1 430.548 5.015 50 0 IKAAMN COc1ccc(CN2CCC(N(C(=O)c3cccc(C)c3)c3ccc(C)c(F)c3)CC2)cc1 ZINC000037280051 569145847 /nfs/dbraw/zinc/14/58/47/569145847.db2.gz WLJMJWXWCZWSHI-UHFFFAOYSA-N 0 1 446.566 5.763 50 0 IKAAMN CC(C)c1ccc2c(c1)CCCN2C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000170626255 569148665 /nfs/dbraw/zinc/14/86/65/569148665.db2.gz ASAZEWOBHYSXPD-UHFFFAOYSA-N 0 1 425.326 5.007 50 0 IKAAMN CC(=O)c1cccc(NC(=O)[C@@H](Sc2nc(-c3ccc(C)cc3)n[nH]2)c2ccccc2)c1 ZINC000010218261 569153473 /nfs/dbraw/zinc/15/34/73/569153473.db2.gz SLVUVBFNQXLRSZ-QFIPXVFZSA-N 0 1 442.544 5.455 50 0 IKAAMN Cc1cc(Nc2ccccc2)nc(Nc2ccc(NS(=O)(=O)c3ccccc3F)cc2)n1 ZINC000017013993 569170879 /nfs/dbraw/zinc/17/08/79/569170879.db2.gz FJMWBGUKZKNMBR-UHFFFAOYSA-N 0 1 449.511 5.212 50 0 IKAAMN Cc1cccc(Cc2cc(C)cc(C)c2S(=O)(=O)Cc2cc(Cl)cc(Cl)c2O)c1 ZINC000002172917 569180689 /nfs/dbraw/zinc/18/06/89/569180689.db2.gz PRIJRNJBUXOOGV-UHFFFAOYSA-N 0 1 449.399 6.189 50 0 IKAAMN Cc1ccc(N(C(=O)c2cccc(Cl)c2)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000037560050 569200948 /nfs/dbraw/zinc/20/09/48/569200948.db2.gz PHKPWRJPTNNCCH-UHFFFAOYSA-N 0 1 436.958 6.099 50 0 IKAAMN Cc1ccc(N(C(=O)c2cccc(Cl)c2)C2CCN(Cc3ccccc3F)CC2)cc1 ZINC000037560047 569200978 /nfs/dbraw/zinc/20/09/78/569200978.db2.gz CTXQIFLWJYOYIX-UHFFFAOYSA-N 0 1 436.958 6.099 50 0 IKAAMN COc1cccc(N(C(=O)c2cccs2)C2CCN(Cc3ccccc3OC)CC2)c1 ZINC000037570658 569201195 /nfs/dbraw/zinc/20/11/95/569201195.db2.gz WQGMQENXYKEBME-UHFFFAOYSA-N 0 1 436.577 5.077 50 0 IKAAMN Cc1ccc(CN2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3ccccc3C)CC2)cc1 ZINC000037570682 569201215 /nfs/dbraw/zinc/20/12/15/569201215.db2.gz KGPPATVQMJSYOM-UHFFFAOYSA-N 0 1 448.632 5.472 50 0 IKAAMN O=C1NC(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)N1 ZINC000027520705 569218266 /nfs/dbraw/zinc/21/82/66/569218266.db2.gz DWNHFYDJPGKUJP-JCMHNJIXSA-N 0 1 439.902 6.485 50 0 IKAAMN CN1C(c2ccccc2)=C2C(=C(c3ccccc3)S[C@H]2c2ccccc2)[C@H]1c1ccccc1 ZINC000025557682 569257382 /nfs/dbraw/zinc/25/73/82/569257382.db2.gz AGWKWLAMWBICBO-MVSFAKPFSA-N 0 1 443.615 7.984 50 0 IKAAMN O=S1(=O)[C@H](c2ccccc2)[C@H](N2CCCC2)[C@]12CC1c3ccccc3C2c2ccccc21 ZINC000043214868 569257890 /nfs/dbraw/zinc/25/78/90/569257890.db2.gz HKJGZFOWOOIWTJ-VJAWVROJSA-N 0 1 441.596 5.040 50 0 IKAAMN O=C1C2=C(C(c3ccccc3)=NCCN2)[C@H](c2ccc(Cl)cc2Cl)N1c1ccccc1 ZINC000027531497 569266079 /nfs/dbraw/zinc/26/60/79/569266079.db2.gz DOJDUOQKIHAIJX-DEOSSOPVSA-N 0 1 448.353 5.428 50 0 IKAAMN C[C@]1(O)CC(=O)[C@H](C(=O)c2ccccc2)[C@H](c2ccc(Cl)cc2)[C@H]1C(=O)c1ccccc1 ZINC000239378412 569268896 /nfs/dbraw/zinc/26/88/96/569268896.db2.gz ORXBTMMYPIUXLC-TTZMFTMZSA-N 0 1 446.930 5.146 50 0 IKAAMN CC[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(c1nc(-c3ccc(OC)cc3)cs1)[NH2+]2 ZINC000251762733 569271124 /nfs/dbraw/zinc/27/11/24/569271124.db2.gz VJMQHCUMDADTEK-XFHNUULXSA-N 0 1 425.476 5.072 50 0 IKAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000002340087 569275078 /nfs/dbraw/zinc/27/50/78/569275078.db2.gz UOIKKFFQSJYFQC-UHFFFAOYSA-N 0 1 435.332 5.355 50 0 IKAAMN COc1ccc([C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)c2c(O)cc(C)oc2=O)cc1 ZINC000253470953 569282587 /nfs/dbraw/zinc/28/25/87/569282587.db2.gz ISCJCFSCQKCZCQ-INIZCTEOSA-N 0 1 448.302 5.130 50 0 IKAAMN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1c[nH]c2c(cccc2C(C)C)c1=O ZINC000253623914 569284566 /nfs/dbraw/zinc/28/45/66/569284566.db2.gz SQALIQZSTOKJNK-QFIPXVFZSA-N 0 1 429.520 5.361 50 0 biogenic IKAAMN CN1C[C@@H](c2ccccc2)[C@H](C(=O)c2ccc(Oc3ccc(Cl)cc3)cc2Cl)C1 ZINC000008888307 569292048 /nfs/dbraw/zinc/29/20/48/569292048.db2.gz GDBDLBPXGKPWAX-FCHUYYIVSA-N 0 1 426.343 6.314 50 0 IKAAMN COc1cccc(-c2nc3ccccc3c(Oc3ccc(C(C)(C)C)cc3Cl)n2)c1O ZINC000002408543 569300490 /nfs/dbraw/zinc/30/04/90/569300490.db2.gz GWJWRIHNRYLGPA-UHFFFAOYSA-N 0 1 434.923 6.754 50 0 IKAAMN C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000013113052 569310571 /nfs/dbraw/zinc/31/05/71/569310571.db2.gz ZMXULJXAAZBIEN-KRWDZBQOSA-N 0 1 430.533 5.170 50 0 IKAAMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n2)cc1 ZINC000013141874 569311795 /nfs/dbraw/zinc/31/17/95/569311795.db2.gz UOSAHQMXULNHSU-UHFFFAOYSA-N 0 1 426.851 5.183 50 0 IKAAMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)c1 ZINC000013346752 569312921 /nfs/dbraw/zinc/31/29/21/569312921.db2.gz MQJPBGZULQYWLU-UHFFFAOYSA-N 0 1 440.546 5.090 50 0 IKAAMN CCC[N@@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2[n-]c(-c3ccc(C)cc3)cc2n1 ZINC000013347390 569313006 /nfs/dbraw/zinc/31/30/06/569313006.db2.gz PPQPRUGTANPRMN-UHFFFAOYSA-N 0 1 428.580 5.534 50 0 IKAAMN Cc1ccc(-c2coc(-c3ccc(NS(=O)(=O)c4ccccc4Cl)cc3)n2)c(C)c1 ZINC000013360685 569313965 /nfs/dbraw/zinc/31/39/65/569313965.db2.gz DANOSDZLCXQCEV-UHFFFAOYSA-N 0 1 438.936 6.080 50 0 IKAAMN O=c1c2cc(Cl)ccc2[nH]c(-c2ccccc2)c1CN1CCN(c2ccccc2)CC1 ZINC000019793410 569329402 /nfs/dbraw/zinc/32/94/02/569329402.db2.gz JVNJYEVSGJXYKT-UHFFFAOYSA-N 0 1 429.951 5.171 50 0 IKAAMN Cc1[nH]c2ccccc2c1[C@@H](c1ccc2c(c1)OCO2)N1CCN(Cc2ccccc2)CC1 ZINC000019864043 569330767 /nfs/dbraw/zinc/33/07/67/569330767.db2.gz ZQDQTBRVRBLLEB-MUUNZHRXSA-N 0 1 439.559 5.112 50 0 IKAAMN Cc1oc(-c2cccc(C)c2)nc1CN1CCC[C@H](C(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000020241037 569357963 /nfs/dbraw/zinc/35/79/63/569357963.db2.gz RKGGBSVKGXHFPX-UKILVPOCSA-N 0 1 443.591 5.364 50 0 IKAAMN COc1ccccc1Nc1c2cc(NC(=O)/C=C/c3ccco3)ccc2nc2c1CCCC2 ZINC000020322053 569360181 /nfs/dbraw/zinc/36/01/81/569360181.db2.gz IIXGLNYPBOPIOC-FYWRMAATSA-N 0 1 439.515 6.111 50 0 IKAAMN C[C@@H](CCc1ccccc1)NC(=O)C1CCC(Cn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000020644720 569374782 /nfs/dbraw/zinc/37/47/82/569374782.db2.gz YQIISFFBIQTPSV-PELRDEGISA-N 0 1 449.620 5.003 50 0 IKAAMN O=C(Nc1cc(Cl)ccc1Cl)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000096012662 569380167 /nfs/dbraw/zinc/38/01/67/569380167.db2.gz JGEFPMUIBHSIMO-CQSZACIVSA-N 0 1 430.217 5.041 50 0 IKAAMN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2cccc(C(F)(F)F)c2F)S1 ZINC000096117387 569384107 /nfs/dbraw/zinc/38/41/07/569384107.db2.gz CSJRAQYAWXVCMF-MEDUHNTESA-N 0 1 443.466 5.351 50 0 IKAAMN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2cccc(C(F)(F)F)c2F)S1 ZINC000096117386 569384143 /nfs/dbraw/zinc/38/41/43/569384143.db2.gz CSJRAQYAWXVCMF-BDJLRTHQSA-N 0 1 443.466 5.351 50 0 IKAAMN Cc1ccc(C)c([C@H](c2ccccc2)N2CCN(C(=O)CCCc3ccccc3)CC2)c1 ZINC000096183800 569386033 /nfs/dbraw/zinc/38/60/33/569386033.db2.gz QJMCHZJWVNEAAO-LJAQVGFWSA-N 0 1 426.604 5.560 50 0 IKAAMN CCn1c(-c2cc(NC(=O)c3ccc(OC(F)(F)F)cc3)[nH]n2)cc2c1cccc2OC ZINC000096398642 569399698 /nfs/dbraw/zinc/39/96/98/569399698.db2.gz IFZOJQZELZEZGA-UHFFFAOYSA-N 0 1 444.413 5.211 50 0 IKAAMN CCn1c(-c2cc(NC(=O)c3ccccc3C(F)(F)F)[nH]n2)cc2c1cccc2OC ZINC000096400314 569400359 /nfs/dbraw/zinc/40/03/59/569400359.db2.gz YKSGAGLBTCDLEG-UHFFFAOYSA-N 0 1 428.414 5.331 50 0 IKAAMN COc1ccc2ccccc2c1C(=O)Oc1ccc2nc(-c3ccccc3Cl)[nH]c2c1 ZINC000096568827 569401451 /nfs/dbraw/zinc/40/14/51/569401451.db2.gz JZOWBXJFTWSRPU-UHFFFAOYSA-N 0 1 428.875 6.264 50 0 IKAAMN O=C(CSc1nc(-c2ccccc2Br)n[nH]1)Nc1cccc2ccccc21 ZINC000002621511 569411125 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O=C(NCC1CCN(Cc2ccccc2Cl)CC1)Nc1ccccc1-c1ccccc1 ZINC000020889976 527609070 /nfs/dbraw/zinc/60/90/70/527609070.db2.gz FDUFGTIGJNGNIS-UHFFFAOYSA-N 0 1 433.983 6.041 50 0 IKAAMN C[C@H](NC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1)c1ccccc1 ZINC000006088420 555509944 /nfs/dbraw/zinc/50/99/44/555509944.db2.gz PBFISBRKVJRJOS-AWEZNQCLSA-N 0 1 449.359 5.285 50 0 IKAAMN Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)Cc2ccccc2Cl)cc1Cl ZINC000000643415 555519296 /nfs/dbraw/zinc/51/92/96/555519296.db2.gz OEBLJYQVVFHYSQ-UHFFFAOYSA-N 0 1 449.359 5.496 50 0 IKAAMN COc1ccc2nc(SCc3csc(N(C(C)=O)c4ccc(C)c(C)c4)n3)[nH]c2c1 ZINC000009463168 555575043 /nfs/dbraw/zinc/57/50/43/555575043.db2.gz VQMWHUDKUAAQRI-UHFFFAOYSA-N 0 1 438.578 5.622 50 0 IKAAMN Cc1ccc(-n2c(CCn3cnc(-c4ccccc4)c3-c3ccccc3)n[nH]c2=S)cc1 ZINC000000984804 555594518 /nfs/dbraw/zinc/59/45/18/555594518.db2.gz JEJPUUMSGYHSLO-UHFFFAOYSA-N 0 1 437.572 6.012 50 0 IKAAMN O=S(=O)(Nc1ccc(Oc2ccc3ccccc3c2)cc1)c1cc(Cl)ccc1Cl ZINC000000991944 555596799 /nfs/dbraw/zinc/59/67/99/555596799.db2.gz OULGKEMJJMEKJR-UHFFFAOYSA-N 0 1 444.339 6.740 50 0 IKAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 ZINC000002163080 555751158 /nfs/dbraw/zinc/75/11/58/555751158.db2.gz QVNNBYVSGYKYCT-UHFFFAOYSA-N 0 1 447.560 5.810 50 0 IKAAMN O=C(c1ccc(F)cc1)C1CCN(Cc2ccccc2Sc2ccc(Cl)cc2)CC1 ZINC000002187526 555755531 /nfs/dbraw/zinc/75/55/31/555755531.db2.gz ZDAJMYYAECUKOX-UHFFFAOYSA-N 0 1 439.983 6.725 50 0 IKAAMN CCc1ccc(N=C2C[C@@H](c3cccc4ccccc43)N(c3ccc(CC)cc3)C2=O)cc1 ZINC000002304597 555767158 /nfs/dbraw/zinc/76/71/58/555767158.db2.gz FNJDCWPDOZTSSX-LJAQVGFWSA-N 0 1 432.567 7.049 50 0 IKAAMN CC(C)(C)CC(C)(C)c1ccc(O)c(Sc2cc(C(C)(C)CC(C)(C)C)ccc2O)c1 ZINC000002556458 555787301 /nfs/dbraw/zinc/78/73/01/555787301.db2.gz WQYFETFRIRDUPJ-UHFFFAOYSA-N 0 1 442.709 8.677 50 0 IKAAMN CC[C@H](C(=O)Nc1ccc(N2CCCN(Cc3cccc(F)c3)CC2)nc1)c1ccccc1 ZINC000034681891 555815743 /nfs/dbraw/zinc/81/57/43/555815743.db2.gz KEPVZRORLUARHL-VWLOTQADSA-N 0 1 446.570 5.065 50 0 IKAAMN COc1ccc(C(=O)N(c2ccccc2)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000034682503 555816357 /nfs/dbraw/zinc/81/63/57/555816357.db2.gz MWJFYIVFSNLZEE-UHFFFAOYSA-N 0 1 434.967 5.660 50 0 IKAAMN O=C(c1cccs1)N(c1ccc(F)cc1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000034682583 555816851 /nfs/dbraw/zinc/81/68/51/555816851.db2.gz XAZNVMMKQMWWBZ-UHFFFAOYSA-N 0 1 428.960 5.852 50 0 IKAAMN Cc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1F ZINC000034682730 555817085 /nfs/dbraw/zinc/81/70/85/555817085.db2.gz HWEFQKAHTOIXDK-UHFFFAOYSA-N 0 1 436.958 6.099 50 0 IKAAMN COc1ccc(N(C(=O)c2ccc(C)cc2)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000034682825 555817524 /nfs/dbraw/zinc/81/75/24/555817524.db2.gz BUEGAHYOHQZWFK-UHFFFAOYSA-N 0 1 448.994 5.968 50 0 IKAAMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2C)ccc1Cl ZINC000002891158 555859973 /nfs/dbraw/zinc/85/99/73/555859973.db2.gz QIYNCUOUDWFLHH-UHFFFAOYSA-N 0 1 449.359 5.663 50 0 IKAAMN Cc1ccc2c(c1)c1c3n2CCCN(Cc2ccc(OCc4ccccc4)cc2)[C@@H]3CCC1 ZINC000002928813 555863811 /nfs/dbraw/zinc/86/38/11/555863811.db2.gz ZKXQQIFTFHUHNW-GDLZYMKVSA-N 0 1 436.599 6.812 50 0 IKAAMN COc1ccccc1N1CCN(CC[C@H](Oc2cc(C)ccc2F)c2cccs2)CC1 ZINC000034726861 555882106 /nfs/dbraw/zinc/88/21/06/555882106.db2.gz YEMBYGJRLSLKSE-QHCPKHFHSA-N 0 1 440.584 5.537 50 0 IKAAMN Fc1ccccc1O[C@@H](CCN1CCN(Cc2ccccc2)CC1)c1ccccc1Cl ZINC000034726994 555882322 /nfs/dbraw/zinc/88/23/22/555882322.db2.gz VVOBAQJMBLXFKU-VWLOTQADSA-N 0 1 438.974 5.807 50 0 IKAAMN O=S(=O)(Nc1ccccc1Sc1c(Cl)cncc1Cl)c1ccc(Cl)cc1 ZINC000003137706 555891078 /nfs/dbraw/zinc/89/10/78/555891078.db2.gz CTCNNTHRMYVCIF-UHFFFAOYSA-N 0 1 445.780 5.994 50 0 IKAAMN CC(C)(C)c1ccc(-c2[nH]nc(C3CC3)c2NC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000034795832 555917714 /nfs/dbraw/zinc/91/77/14/555917714.db2.gz JQUWWMMUMZMDCM-UHFFFAOYSA-N 0 1 427.470 6.523 50 0 IKAAMN CCCCOc1ccc([C@H]2CC(=Nc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000003668662 555945163 /nfs/dbraw/zinc/94/51/63/555945163.db2.gz QCHPYXPGHNQSIV-RUZDIDTESA-N 0 1 434.486 6.228 50 0 IKAAMN CCCCn1c2ccccc2n2c(C(C)=O)c(CN(C)C34CC5CC(CC(C5)C3)C4)nc12 ZINC000003833058 555946906 /nfs/dbraw/zinc/94/69/06/555946906.db2.gz LAPYSGPTEPJOTI-UHFFFAOYSA-N 0 1 432.612 5.692 50 0 IKAAMN COc1ccc(C(=O)Nc2ccccc2)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000006212927 556080633 /nfs/dbraw/zinc/08/06/33/556080633.db2.gz PCISRYPHVDIZJO-UHFFFAOYSA-N 0 1 438.549 5.046 50 0 IKAAMN CCCc1ccc([C@H](C)NCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000002730250 556134231 /nfs/dbraw/zinc/13/42/31/556134231.db2.gz BMXDSXRHZLKCST-AWEZNQCLSA-N 0 1 448.419 6.359 50 0 IKAAMN CCc1ccc([C@H](C)NCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000008454420 556185121 /nfs/dbraw/zinc/18/51/21/556185121.db2.gz FAQDEOCBZPQXSL-AWEZNQCLSA-N 0 1 444.398 5.424 50 0 IKAAMN COc1ccc2nc(SCC(=O)Nc3cc4oc5ccccc5c4cc3OC)[nH]c2c1 ZINC000008758519 556211325 /nfs/dbraw/zinc/21/13/25/556211325.db2.gz IYIHWKWHCOGWKA-UHFFFAOYSA-N 0 1 433.489 5.210 50 0 IKAAMN O=C(Nc1c2ccccc2oc1C(=O)Nc1ccccc1)c1cc(-c2ccccc2O)n[nH]1 ZINC000008845186 556226904 /nfs/dbraw/zinc/22/69/04/556226904.db2.gz OPAVFMGHWSXRAH-UHFFFAOYSA-N 0 1 438.443 5.033 50 0 IKAAMN Cc1cccc(N=C2C[C@@H](c3ccc4c5c(cccc53)CC4)N(c3cccc(C)c3)C2=O)c1 ZINC000009290915 556273912 /nfs/dbraw/zinc/27/39/12/556273912.db2.gz NTFPIBPIHRNKIV-NDEPHWFRSA-N 0 1 430.551 6.639 50 0 IKAAMN Cc1cccc(N=C2C[C@H](c3ccc4c5c(cccc53)CC4)N(c3cccc(C)c3)C2=O)c1 ZINC000009290911 556273957 /nfs/dbraw/zinc/27/39/57/556273957.db2.gz NTFPIBPIHRNKIV-MUUNZHRXSA-N 0 1 430.551 6.639 50 0 IKAAMN O=C(CC1C(=O)Nc2nc(SCc3ccccc3)nn21)Nc1ccc(Cl)cc1Cl ZINC000013730131 556295137 /nfs/dbraw/zinc/29/51/37/556295137.db2.gz LQJVPJGAGWXOPY-OAHLLOKOSA-N 0 1 448.335 5.049 50 0 IKAAMN Brc1ccc(-c2nc(-c3ccccc3)c(-c3ccc4ccccc4c3)[nH]2)cc1 ZINC000013763822 556301878 /nfs/dbraw/zinc/30/18/78/556301878.db2.gz GWRREDGVDCGVBQ-UHFFFAOYSA-N 0 1 425.329 7.326 50 0 IKAAMN Cc1ccc2nc(SCC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 ZINC000010059027 556323770 /nfs/dbraw/zinc/32/37/70/556323770.db2.gz AKTMFAZERPUZAX-UHFFFAOYSA-N 0 1 433.377 5.640 50 0 IKAAMN CCOc1c(Br)cc(CNCc2ccccc2Cl)cc1Br ZINC000010474129 556335988 /nfs/dbraw/zinc/33/59/88/556335988.db2.gz QVWGFTBSXNISDC-UHFFFAOYSA-N 0 1 433.571 5.554 50 0 IKAAMN Oc1ccc2cc(-c3nc(-c4ccc(Cl)cc4)cs3)/c(=N/c3nccs3)oc2c1 ZINC000013940856 556338268 /nfs/dbraw/zinc/33/82/68/556338268.db2.gz RLUHGTNGKUNMLB-PLRJNAJWSA-N 0 1 437.933 6.271 50 0 IKAAMN COc1cccc(-c2ccccc2NC(=O)C2CCN(Cc3ccc(Cl)s3)CC2)c1 ZINC000011662720 556343872 /nfs/dbraw/zinc/34/38/72/556343872.db2.gz NNIHUDQJJGLQIE-UHFFFAOYSA-N 0 1 440.996 5.928 50 0 IKAAMN COc1cccc(-c2ccccc2NC(=O)C2CCN(Cc3ccc(F)cc3OC)CC2)c1 ZINC000011706083 556347742 /nfs/dbraw/zinc/34/77/42/556347742.db2.gz IUMYNCLLOJJODX-UHFFFAOYSA-N 0 1 448.538 5.361 50 0 IKAAMN CCn1cc(CN2CCC(C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)CC2)c(C)n1 ZINC000011717710 556348493 /nfs/dbraw/zinc/34/84/93/556348493.db2.gz GVLJWSZBNTVRKB-UHFFFAOYSA-N 0 1 441.579 5.210 50 0 IKAAMN O=C(CCCc1ccccc1)Nc1ccnn1C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000011760920 556349457 /nfs/dbraw/zinc/34/94/57/556349457.db2.gz VZVSNQFZTIYLDI-UHFFFAOYSA-N 0 1 436.987 5.335 50 0 IKAAMN COc1cccc(-c2nc3cc(F)ccc3cc2CNCc2cccc(OC)c2OC)c1 ZINC000011791361 556356106 /nfs/dbraw/zinc/35/61/06/556356106.db2.gz XJZBRKBENCEPSM-UHFFFAOYSA-N 0 1 432.495 5.357 50 0 IKAAMN CSc1ccc(C(=O)[C@@H]2CCCN(Cc3ccc4cc(NC(C)=O)ccc4n3)C2)cc1 ZINC000011820823 556362365 /nfs/dbraw/zinc/36/23/65/556362365.db2.gz YHCQXDHKCFYIIV-HXUWFJFHSA-N 0 1 433.577 5.010 50 0 IKAAMN COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN(Cc3ccc(F)c(F)c3)C2)cc1 ZINC000011873132 556369504 /nfs/dbraw/zinc/36/95/04/556369504.db2.gz MAYYLILRSYRNJK-HXUWFJFHSA-N 0 1 436.502 5.491 50 0 IKAAMN O=C(CN[C@@H](c1cccs1)c1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000014123994 556372773 /nfs/dbraw/zinc/37/27/73/556372773.db2.gz CXGVJXKGBFAKTL-XMMPIXPASA-N 0 1 447.629 5.443 50 0 IKAAMN CC[C@@H](NC(=O)CCc1nnc(CCCCc2ccccc2)o1)c1nc2ccc(C)cc2[nH]1 ZINC000011935458 556378327 /nfs/dbraw/zinc/37/83/27/556378327.db2.gz CNBKZKUSOMDCMY-HXUWFJFHSA-N 0 1 445.567 5.020 50 0 IKAAMN CCCc1ncc(CN2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)cn1 ZINC000012075720 556397586 /nfs/dbraw/zinc/39/75/86/556397586.db2.gz PVHOMLCFZAMBQK-UHFFFAOYSA-N 0 1 432.543 5.086 50 0 IKAAMN O=C(NC1CCCC1)c1ccc(OC2CCN(C/C=C/c3ccco3)CC2)c(Cl)c1 ZINC000012076619 556397864 /nfs/dbraw/zinc/39/78/64/556397864.db2.gz SJKYPESVWCYBNA-XVNBXDOJSA-N 0 1 428.960 5.162 50 0 IKAAMN COc1cccc(-c2ccccc2NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c1 ZINC000012091462 556402478 /nfs/dbraw/zinc/40/24/78/556402478.db2.gz PALAMWFSLKAEEH-UHFFFAOYSA-N 0 1 434.967 5.866 50 0 IKAAMN CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(Cc3ccc(Oc4ncccn4)cc3)C2)c1 ZINC000012373485 556403648 /nfs/dbraw/zinc/40/36/48/556403648.db2.gz BHAXNSOHSUVDED-JOCHJYFZSA-N 0 1 431.536 5.151 50 0 IKAAMN CN(Cc1ccc(Br)s1)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000032843114 556428210 /nfs/dbraw/zinc/42/82/10/556428210.db2.gz WAKCYTPVUIOWIC-GOSISDBHSA-N 0 1 432.383 5.049 50 0 IKAAMN Cc1ccc(SCCN[C@@H](C)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)cc1 ZINC000012993661 556429423 /nfs/dbraw/zinc/42/94/23/556429423.db2.gz FSGFEJMNPFCVAQ-AWEZNQCLSA-N 0 1 427.620 5.464 50 0 IKAAMN C[C@H]1CCN(C(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)c2ccccc2S1 ZINC000013014935 556436968 /nfs/dbraw/zinc/43/69/68/556436968.db2.gz DAYKCTLPJTWPOI-ZDUSSCGKSA-N 0 1 430.986 5.135 50 0 IKAAMN Cc1cccc(CSc2nnc(NC(=O)c3cc(-c4ccc(C)c(F)c4)on3)s2)c1 ZINC000027989853 556439778 /nfs/dbraw/zinc/43/97/78/556439778.db2.gz NTIKOLBQFWZSAD-UHFFFAOYSA-N 0 1 440.525 5.494 50 0 IKAAMN Cc1cc2oc(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)N3CCCC3)cc(=O)c2cc1C ZINC000028289094 556448859 /nfs/dbraw/zinc/44/88/59/556448859.db2.gz PEFVANLWISBZKQ-HSZRJFAPSA-N 0 1 446.591 5.274 50 0 IKAAMN Cc1c(C(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)oc2cc(C)cc(C)c12 ZINC000028289197 556449165 /nfs/dbraw/zinc/44/91/65/556449165.db2.gz TZBWGPUQPSMBCB-QHCPKHFHSA-N 0 1 432.608 6.222 50 0 IKAAMN Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)N1CCCC1 ZINC000028289189 556449274 /nfs/dbraw/zinc/44/92/74/556449274.db2.gz ZPMCDHAZUFIRFH-JOCHJYFZSA-N 0 1 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COc1ccc(-c2nc(CN3CCC(Sc4ccc(F)cc4)CC3)c(C)o2)c(OC)c1 ZINC000014966711 556465795 /nfs/dbraw/zinc/46/57/95/556465795.db2.gz XPPZGMKHCOUPRN-UHFFFAOYSA-N 0 1 442.556 5.563 50 0 IKAAMN Cc1[nH]c2c(cccc2C(=O)NC[C@H](C)Oc2cccc(CN(C)Cc3ccoc3)c2)c1C ZINC000014999846 556479449 /nfs/dbraw/zinc/47/94/49/556479449.db2.gz GPVLMJXRUOXAAN-SFHVURJKSA-N 0 1 445.563 5.207 50 0 IKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc3ccccc3c2)ccc1C ZINC000013130471 556479735 /nfs/dbraw/zinc/47/97/35/556479735.db2.gz YXYMPNHMJJOVOL-UHFFFAOYSA-N 0 1 446.528 5.210 50 0 IKAAMN CN(C)Cc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NCCC1=CCCCC1 ZINC000015000694 556479882 /nfs/dbraw/zinc/47/98/82/556479882.db2.gz YYKWMARFYPVOKY-UHFFFAOYSA-N 0 1 449.620 5.410 50 0 IKAAMN COc1ccc([C@H](CNC(=O)CCCSc2ccc(Cl)cc2)N2CCCCC2)cc1 ZINC000013134106 556482016 /nfs/dbraw/zinc/48/20/16/556482016.db2.gz ZAPPWBISYXAEGR-QHCPKHFHSA-N 0 1 447.044 5.564 50 0 IKAAMN Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC(OCc2cccnc2)CC1 ZINC000015072785 556497365 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448.538 5.154 50 0 IKAAMN COc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccccc3F)CC2)cc1OC ZINC000037560416 569201060 /nfs/dbraw/zinc/20/10/60/569201060.db2.gz FZXTZEAHFMEZOD-UHFFFAOYSA-N 0 1 448.538 5.154 50 0 IKAAMN COc1cc(CN2CCC(N(C(=O)c3ccccc3)c3ccc(C)cc3)CC2)cc(OC)c1 ZINC000037560432 569201099 /nfs/dbraw/zinc/20/10/99/569201099.db2.gz TTWUUNLLWMLVOC-UHFFFAOYSA-N 0 1 444.575 5.324 50 0 IKAAMN COc1cccc(CN2CCC(N(C(=O)c3cccs3)c3cccc(OC)c3)CC2)c1 ZINC000037570519 569201185 /nfs/dbraw/zinc/20/11/85/569201185.db2.gz HJHARDMSVSLCDS-UHFFFAOYSA-N 0 1 436.577 5.077 50 0 IKAAMN COc1cccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(Cl)cc5)coc-4c32)c1 ZINC000253410294 569265760 /nfs/dbraw/zinc/26/57/60/569265760.db2.gz NEAQKEYQXPADDA-KRWDZBQOSA-N 0 1 448.858 5.269 50 0 biogenic IKAAMN CC[C@@H]1CCCCN1[C@H]1CC(=O)N(c2ccc(-c3nc4ccc(C)cc4s3)cc2)C1=O ZINC000248339232 569271015 /nfs/dbraw/zinc/27/10/15/569271015.db2.gz SKFHLRLOYXFONB-NQIIRXRSSA-N 0 1 433.577 5.168 50 0 IKAAMN 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N=C1c2ccccc2CN1c1ccc(Cl)c(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000012592109 526840254 /nfs/dbraw/zinc/84/02/54/526840254.db2.gz MTNDMESJVXSNEV-UHFFFAOYSA-N 0 1 432.332 5.140 50 0 IKAAMN O=C(CN[C@@H](c1cccs1)c1ccccc1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000012748967 526887378 /nfs/dbraw/zinc/88/73/78/526887378.db2.gz ZKPFDGFTSOIWBF-YADARESESA-N 0 1 447.629 5.443 50 0 IKAAMN Clc1cccc(-c2ccc(CN3CCc4nnc(CCc5ccccc5)n4CC3)o2)c1 ZINC000020780231 526970466 /nfs/dbraw/zinc/97/04/66/526970466.db2.gz LSJHTESIOUWSDW-UHFFFAOYSA-N 0 1 432.955 5.035 50 0 IKAAMN O=C(Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1)c1ccc(F)cc1Br ZINC000058158019 527299882 /nfs/dbraw/zinc/29/98/82/527299882.db2.gz UPBYGGUCPJDBOE-UHFFFAOYSA-N 0 1 442.263 5.447 50 0 IKAAMN O=C(Nc1cccc(-c2ccco2)c1)C1CCN(Cc2ccccc2OC(F)F)CC1 ZINC000012438598 527310111 /nfs/dbraw/zinc/31/01/11/527310111.db2.gz OGUZWDBGOGUJOR-UHFFFAOYSA-N 0 1 426.463 5.399 50 0 IKAAMN O=C(Nc1ccnn1C1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1Cl ZINC000012707352 527461784 /nfs/dbraw/zinc/46/17/84/527461784.db2.gz DIRJIKFPJVSZAK-UHFFFAOYSA-N 0 1 429.351 5.279 50 0 IKAAMN Cc1nn(-c2ccc(C)c(Cl)c2)c2c1[C@H](C(=O)c1ccc3ccccc3c1)CC(=O)N2 ZINC000035170977 527521992 /nfs/dbraw/zinc/52/19/92/527521992.db2.gz YHSZPMYGJQFMLB-HXUWFJFHSA-N 0 1 429.907 5.604 50 0 IKAAMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)Nc1ccc(C(F)(F)F)cc1 ZINC000020890026 527608809 /nfs/dbraw/zinc/60/88/09/527608809.db2.gz ZFTQXPYZNURBLD-UHFFFAOYSA-N 0 1 425.882 5.393 50 0 IKAAMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)Nc1ccccc1C(F)(F)F ZINC000020890018 527609954 /nfs/dbraw/zinc/60/99/54/527609954.db2.gz NDBQRBXYTZZSTB-UHFFFAOYSA-N 0 1 425.882 5.393 50 0 IKAAMN O[C@@H](COc1ccccc1)CN(Cc1cccn1Cc1ccccc1F)Cc1ccccc1 ZINC000035840615 527661933 /nfs/dbraw/zinc/66/19/33/527661933.db2.gz OIZRDIIZVVXNGO-AREMUKBSSA-N 0 1 444.550 5.118 50 0 IKAAMN Cc1ccc(COC(=O)C2C(C)=NC(=O)N[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000000861383 555572569 /nfs/dbraw/zinc/57/25/69/555572569.db2.gz SLHUCIDDZHKHHM-XMMPIXPASA-N 0 1 428.488 5.159 50 0 IKAAMN CC(=O)N(c1nc(CSc2nc(-c3ccccc3)n[nH]2)cs1)c1ccc(C)c(C)c1 ZINC000009684906 555602483 /nfs/dbraw/zinc/60/24/83/555602483.db2.gz VWYDAWFXHVUQTE-UHFFFAOYSA-N 0 1 435.578 5.522 50 0 IKAAMN CCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1 ZINC000001050520 555612989 /nfs/dbraw/zinc/61/29/89/555612989.db2.gz QKFVKSMCJDGSTK-UHFFFAOYSA-N 0 1 442.968 5.572 50 0 IKAAMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCC3=CCCCC3)ccc2Cl)c1 ZINC000001059006 555615467 /nfs/dbraw/zinc/61/54/67/555615467.db2.gz VQNQBUQKXRCEAW-UHFFFAOYSA-N 0 1 432.973 5.070 50 0 IKAAMN Cc1c(Cl)cccc1NC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000001062707 555617030 /nfs/dbraw/zinc/61/70/30/555617030.db2.gz ILXUFWQQRJBVAK-UHFFFAOYSA-N 0 1 435.863 5.145 50 0 biogenic IKAAMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3)ccc2Cl)c1 ZINC000001066016 555618399 /nfs/dbraw/zinc/61/83/99/555618399.db2.gz FHMYQZPWGDQRBW-UHFFFAOYSA-N 0 1 432.904 5.149 50 0 IKAAMN CC(=O)Nc1ccc(-c2nc(-c3ccc(Br)cc3)c(-c3ccccc3)[nH]2)cc1 ZINC000001187398 555674890 /nfs/dbraw/zinc/67/48/90/555674890.db2.gz OPDGOSXGVNBMQL-UHFFFAOYSA-N 0 1 432.321 6.132 50 0 IKAAMN COc1cccc(NC2=C[C@H](c3ccc(C(C)C)cc3)N(c3cccc(OC)c3)C2=O)c1 ZINC000001426105 555695796 /nfs/dbraw/zinc/69/57/96/555695796.db2.gz POWGERZNHCVNHT-AREMUKBSSA-N 0 1 428.532 5.911 50 0 aggregator IKAAMN COc1cccc(NC2=C[C@@H](c3ccc(C(C)C)cc3)N(c3cccc(OC)c3)C2=O)c1 ZINC000001426106 555695906 /nfs/dbraw/zinc/69/59/06/555695906.db2.gz POWGERZNHCVNHT-SANMLTNESA-N 0 1 428.532 5.911 50 0 aggregator IKAAMN O=C1C(Nc2ccc(Cl)cc2)=C[C@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000002061308 555732047 /nfs/dbraw/zinc/73/20/47/555732047.db2.gz ZUGXWFAYRFRZOC-OAQYLSRUSA-N 0 1 429.734 6.731 50 0 IKAAMN C[C@H](Cc1ccccc1)NC(=O)C[C@@H](c1ccccc1)c1ccc(O)c(Cl)c1Cl ZINC000002234844 555760604 /nfs/dbraw/zinc/76/06/04/555760604.db2.gz BEHZACCXCLMDHC-UZLBHIALSA-N 0 1 428.359 5.968 50 0 IKAAMN C[C@@H](Cc1ccccc1)NC(=O)C[C@H](c1ccccc1)c1ccc(O)c(Cl)c1Cl ZINC000002234846 555760610 /nfs/dbraw/zinc/76/06/10/555760610.db2.gz BEHZACCXCLMDHC-OXJNMPFZSA-N 0 1 428.359 5.968 50 0 IKAAMN CC(C)c1ccc(CN2CCN(c3ccc(NC(=O)/C=C/c4ccccc4)cn3)CC2)cc1 ZINC000034681549 555814507 /nfs/dbraw/zinc/81/45/07/555814507.db2.gz GJLLIRLURSIISK-XNTDXEJSSA-N 0 1 440.591 5.179 50 0 IKAAMN CC[C@H](C(=O)Nc1ccc(N2CCCN(Cc3ccc(F)cc3)CC2)nc1)c1ccccc1 ZINC000034681881 555815682 /nfs/dbraw/zinc/81/56/82/555815682.db2.gz YOEQYGYNUOIKOB-VWLOTQADSA-N 0 1 446.570 5.065 50 0 IKAAMN Cc1cccc(C(=O)Nc2ccc(N3CCCN(Cc4ccccc4Cl)CC3)nc2)c1 ZINC000034681859 555815701 /nfs/dbraw/zinc/81/57/01/555815701.db2.gz YFWJKMFNYFEUHH-UHFFFAOYSA-N 0 1 434.971 5.008 50 0 IKAAMN COc1cccc(CN2CCC(N(C(=O)c3ccc(F)cc3)c3ccccc3)CC2)c1OC ZINC000034682462 555816365 /nfs/dbraw/zinc/81/63/65/555816365.db2.gz DWJXMDAMKLOJBH-UHFFFAOYSA-N 0 1 448.538 5.154 50 0 IKAAMN O=C(c1ccc(F)cc1)N(c1ccc(F)cc1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000034682553 555816723 /nfs/dbraw/zinc/81/67/23/555816723.db2.gz WCIQOSRPQXNZEV-UHFFFAOYSA-N 0 1 440.921 5.930 50 0 IKAAMN COc1ccc(OC)c(CN2CCC(N(C(=O)c3ccccc3)c3ccc(F)cc3)CC2)c1 ZINC000034682634 555816732 /nfs/dbraw/zinc/81/67/32/555816732.db2.gz UAYHKQRGZNEDCQ-UHFFFAOYSA-N 0 1 448.538 5.154 50 0 IKAAMN CCCC(=O)N(c1ccc(F)cc1)C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000034682755 555817113 /nfs/dbraw/zinc/81/71/13/555817113.db2.gz YEVDEWFBHQJDEE-UHFFFAOYSA-N 0 1 446.566 6.416 50 0 IKAAMN COc1cccc(N(C(=O)c2ccc(C)cc2)C2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000034682689 555817186 /nfs/dbraw/zinc/81/71/86/555817186.db2.gz QFSOPSNPVNJWDK-UHFFFAOYSA-N 0 1 448.994 5.968 50 0 IKAAMN COc1ccccc1C(=O)N(c1ccc(C)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000034682985 555817802 /nfs/dbraw/zinc/81/78/02/555817802.db2.gz VKLPSSMBNDEBKN-UHFFFAOYSA-N 0 1 448.994 5.968 50 0 IKAAMN COc1ccc(OC)c(CN2CCC(N(C(=O)c3ccccc3)c3cccc(C)c3)CC2)c1 ZINC000034683029 555818116 /nfs/dbraw/zinc/81/81/16/555818116.db2.gz QTZPGIXMDCNDMN-UHFFFAOYSA-N 0 1 444.575 5.324 50 0 IKAAMN COc1cccc(N(C(=O)c2cccs2)C2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000034683155 555818483 /nfs/dbraw/zinc/81/84/83/555818483.db2.gz QOIPZVLXAIAKSE-UHFFFAOYSA-N 0 1 440.996 5.722 50 0 IKAAMN COc1cccc(N(C(=O)CC(C)C)C2CCN(Cc3ccccc3C(F)(F)F)CC2)c1 ZINC000034683449 555818805 /nfs/dbraw/zinc/81/88/05/555818805.db2.gz JOHJKEFHTCGPBT-UHFFFAOYSA-N 0 1 448.529 5.758 50 0 IKAAMN Cc1cccc(S(=O)(=O)N(c2ccc(F)cc2)C2CCN(Cc3cccs3)CC2)c1 ZINC000034683730 555819427 /nfs/dbraw/zinc/81/94/27/555819427.db2.gz PBXKZOGNQUALRO-UHFFFAOYSA-N 0 1 444.597 5.056 50 0 IKAAMN COc1ccc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)c(Cl)c1Cl ZINC000002857523 555842321 /nfs/dbraw/zinc/84/23/21/555842321.db2.gz AKQCKXWFVZGUPN-UHFFFAOYSA-N 0 1 445.549 5.219 50 0 IKAAMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3C)ccc2Cl)cc1 ZINC000002885078 555857793 /nfs/dbraw/zinc/85/77/93/555857793.db2.gz YJOSPKJFHDQXLG-UHFFFAOYSA-N 0 1 449.359 5.663 50 0 IKAAMN Fc1ccc(N2CCN(CC[C@@H](Oc3ccc(F)cc3Cl)c3cccs3)CC2)cc1 ZINC000034726930 555882313 /nfs/dbraw/zinc/88/23/13/555882313.db2.gz OPXDYFDDWANVOQ-JOCHJYFZSA-N 0 1 448.966 6.012 50 0 IKAAMN Fc1ccc(N2CCN(CC[C@H](Oc3ccc(F)c(Cl)c3)c3cccs3)CC2)cc1 ZINC000034726904 555882331 /nfs/dbraw/zinc/88/23/31/555882331.db2.gz ZLBNPTUXTLTIJZ-QFIPXVFZSA-N 0 1 448.966 6.012 50 0 IKAAMN CC(C)N1CCN(C2=Nc3ccccc3Oc3ccc(NC(=O)CC4CCCC4)cc32)CC1 ZINC000034790611 555916294 /nfs/dbraw/zinc/91/62/94/555916294.db2.gz WFZALHFEQLEFEJ-UHFFFAOYSA-N 0 1 446.595 5.415 50 0 IKAAMN CC[C@@H](C(=O)Nc1c(C2CCOCC2)n[nH]c1-c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000034793993 555917195 /nfs/dbraw/zinc/91/71/95/555917195.db2.gz VQUWNYSOIJKNNT-HXUWFJFHSA-N 0 1 449.551 5.120 50 0 IKAAMN COc1ccc2c(c1)CCc1c(-c3ccc(C(=O)NCc4ccc(F)c(F)c4)cc3)n[nH]c1-2 ZINC000034915648 555930242 /nfs/dbraw/zinc/93/02/42/555930242.db2.gz AROQEWQYWKHDEL-UHFFFAOYSA-N 0 1 445.469 5.059 50 0 IKAAMN CCOc1cc(CNCc2ccccc2OCc2ccccc2)cc(Cl)c1OCC ZINC000004809928 556013145 /nfs/dbraw/zinc/01/31/45/556013145.db2.gz BWIFNSTVVGYMIY-UHFFFAOYSA-N 0 1 425.956 6.006 50 0 IKAAMN O=C(CSc1nc(-c2ccc(Cl)cc2Cl)n[nH]1)Nc1cccc(Cl)c1Cl ZINC000006974291 556112287 /nfs/dbraw/zinc/11/22/87/556112287.db2.gz CPLVBZKRRQDHIR-UHFFFAOYSA-N 0 1 448.162 5.816 50 0 IKAAMN Cc1ccc(N=C2C[C@H](c3cccc(Br)c3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000008424600 556167968 /nfs/dbraw/zinc/16/79/68/556167968.db2.gz ATYXXWBVRBLZJY-HSZRJFAPSA-N 0 1 433.349 6.150 50 0 IKAAMN CCOc1cc(CNCc2ccncc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000008437904 556174023 /nfs/dbraw/zinc/17/40/23/556174023.db2.gz UDOZJWJRQUAFRO-UHFFFAOYSA-N 0 1 445.332 5.251 50 0 IKAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@H](c2ccc(Cl)cc2)N(Cc2cccnc2)C3=O)cc1C ZINC000009243390 556266954 /nfs/dbraw/zinc/26/69/54/556266954.db2.gz DOTYCLSFTPYXFA-DEOSSOPVSA-N 0 1 444.922 5.193 50 0 IKAAMN COc1cccc(-c2ccccc2NC(=O)C2CCN(Cc3cccc(C(C)=O)c3)CC2)c1 ZINC000011662444 556343849 /nfs/dbraw/zinc/34/38/49/556343849.db2.gz MSPQKFCHQISMMO-UHFFFAOYSA-N 0 1 442.559 5.416 50 0 IKAAMN COc1cccc(CN2CCC(Oc3ccc(C(=O)NC4CCCC4)cc3Cl)CC2)c1 ZINC000011707205 556347697 /nfs/dbraw/zinc/34/76/97/556347697.db2.gz QVRXNKKPKMGROR-UHFFFAOYSA-N 0 1 442.987 5.064 50 0 IKAAMN COc1ccc(NC(=O)CC[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2)c(C)c1 ZINC000011753534 556348900 /nfs/dbraw/zinc/34/89/00/556348900.db2.gz FMRJTABDCCPCDD-SFHVURJKSA-N 0 1 434.502 5.653 50 0 IKAAMN COc1ccc(-c2nc(CN3CCC[C@@H](COc4ccc(F)cc4)C3)c(C)o2)c(OC)c1 ZINC000011816838 556359522 /nfs/dbraw/zinc/35/95/22/556359522.db2.gz KLQSEJKEUNSWFO-GOSISDBHSA-N 0 1 440.515 5.097 50 0 IKAAMN CCN(Cc1cnn(C)c1)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000011817443 556360162 /nfs/dbraw/zinc/36/01/62/556360162.db2.gz VNBLOCYIQHEWQR-UHFFFAOYSA-N 0 1 425.536 5.100 50 0 IKAAMN COc1ccc(-c2nc(CN3CCC[C@H]3c3nc4ccc(F)cc4[nH]3)c(C)o2)c(C)c1C ZINC000011819534 556361340 /nfs/dbraw/zinc/36/13/40/556361340.db2.gz PDQRXXITASTVHI-QFIPXVFZSA-N 0 1 434.515 5.628 50 0 IKAAMN COc1cccc(-c2cc(CC3(O)CCN(Cc4[nH]c5ccc(C)cc5c4C)CC3)on2)c1 ZINC000011843790 556366720 /nfs/dbraw/zinc/36/67/20/556366720.db2.gz POSRJOFEAGZUPJ-UHFFFAOYSA-N 0 1 445.563 5.018 50 0 IKAAMN CCN(CC)Cc1nc2sc(C)c(C)c2c(NCc2coc(-c3cccs3)n2)n1 ZINC000014129593 556374563 /nfs/dbraw/zinc/37/45/63/556374563.db2.gz ZCQLLSMFTPYXLO-UHFFFAOYSA-N 0 1 427.599 5.479 50 0 IKAAMN OC[C@]1(Cc2cccc(Cl)c2)CCCN(Cc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000011949054 556380450 /nfs/dbraw/zinc/38/04/50/556380450.db2.gz LRWVCSHHXZZASV-QHCPKHFHSA-N 0 1 430.976 5.420 50 0 IKAAMN O=C(c1ccco1)N([C@@H](Cc1ccccc1)C1CCN(Cc2ccccc2F)CC1)C1CC1 ZINC000012054713 556393472 /nfs/dbraw/zinc/39/34/72/556393472.db2.gz SWVBUZIDQVFHLK-SANMLTNESA-N 0 1 446.566 5.547 50 0 IKAAMN CCn1nc(C)c(CNCc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)c1C ZINC000012073533 556396498 /nfs/dbraw/zinc/39/64/98/556396498.db2.gz MIRVHLDDMZHPHP-UHFFFAOYSA-N 0 1 435.522 5.249 50 0 IKAAMN Cc1nc(C)c(CN2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)nc1C ZINC000012074202 556396886 /nfs/dbraw/zinc/39/68/86/556396886.db2.gz ZDYJJMXGLWRTOA-UHFFFAOYSA-N 0 1 448.998 5.573 50 0 IKAAMN COc1ccc(CN2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)cc1O ZINC000012076315 556397884 /nfs/dbraw/zinc/39/78/84/556397884.db2.gz JYIBNTVUDHDKHK-UHFFFAOYSA-N 0 1 434.511 5.058 50 0 IKAAMN Cc1c2cc(Br)ccc2oc1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000027992652 556440423 /nfs/dbraw/zinc/44/04/23/556440423.db2.gz PDASQOLIHRNOIQ-MRXNPFEDSA-N 0 1 433.371 5.132 50 0 IKAAMN O=C(c1cc(-c2nnc(-c3ccc(Cl)cc3)o2)n(C2CCCC2)c1)c1ccccc1O ZINC000013060609 556450454 /nfs/dbraw/zinc/45/04/54/556450454.db2.gz IHKMUQFQRNEOMH-UHFFFAOYSA-N 0 1 433.895 5.910 50 0 IKAAMN COc1cc2cc(CNCc3ccccc3F)c(=O)n(CC3CCCCC3)c2cc1OC ZINC000014961910 556464193 /nfs/dbraw/zinc/46/41/93/556464193.db2.gz FAVCYOAHJLORKZ-UHFFFAOYSA-N 0 1 438.543 5.028 50 0 IKAAMN Cc1c([C@H](C)NCc2cnn(-c3ccc(F)cc3)c2)cnn1-c1cccc2ccccc21 ZINC000014971518 556467192 /nfs/dbraw/zinc/46/71/92/556467192.db2.gz SABZAWKXYNWEKX-SFHVURJKSA-N 0 1 425.511 5.510 50 0 IKAAMN Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccccc3O)n[nH]2)cc1 ZINC000013121839 556474453 /nfs/dbraw/zinc/47/44/53/556474453.db2.gz WRJNNWYFOVHNTF-UHFFFAOYSA-N 0 1 437.455 5.320 50 0 aggregator IKAAMN COc1cc2cc(CNCc3cccc(F)c3)c(=O)n(CC3CCCCC3)c2cc1OC ZINC000014995530 556477599 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Cc1c2cc(Br)ccc2oc1C(=O)NC[C@@H](c1cccs1)N1CCCCC1 ZINC000027794574 557274787 /nfs/dbraw/zinc/27/47/87/557274787.db2.gz CHXMTCUGXCNCSD-KRWDZBQOSA-N 0 1 447.398 5.522 50 0 IKAAMN COc1ccccc1Nc1c2cc(NC(=O)c3ccc(F)cc3)ccc2nc2c1CCCC2 ZINC000101482953 557287786 /nfs/dbraw/zinc/28/77/86/557287786.db2.gz LDKGFDRMVSYRKP-UHFFFAOYSA-N 0 1 441.506 6.257 50 0 IKAAMN CC(C)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000101639442 557292195 /nfs/dbraw/zinc/29/21/95/557292195.db2.gz LUKQXVJWLACPJD-SANMLTNESA-N 0 1 444.619 7.433 50 0 IKAAMN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)c(C)c1 ZINC000101248493 557298447 /nfs/dbraw/zinc/29/84/47/557298447.db2.gz UNPWUJZCWFCHDA-ZRBLBEILSA-N 0 1 432.907 5.008 50 0 IKAAMN Cc1ccc(-n2nc3c4cc(C(=O)Nc5ccc(F)c(Cl)c5)ccc4[nH]cc-3c2=O)cc1 ZINC000101828203 557299669 /nfs/dbraw/zinc/29/96/69/557299669.db2.gz HGOZLZSCGGIHOQ-UHFFFAOYSA-N 0 1 446.869 5.172 50 0 IKAAMN CSc1cccc(NC(=O)c2ccc3[nH]cc4c(=O)n(-c5ccc(C)cc5)nc-4c3c2)c1 ZINC000101828102 557299736 /nfs/dbraw/zinc/29/97/36/557299736.db2.gz BWZGQEDASHIMJI-UHFFFAOYSA-N 0 1 440.528 5.101 50 0 IKAAMN O=[P@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1ccccc1F ZINC000013304469 557308882 /nfs/dbraw/zinc/30/88/82/557308882.db2.gz NJYZHENGFYCVLU-VBGLAJCLSA-N 0 1 432.262 7.991 50 0 IKAAMN C[C@H](NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1)c1ccccc1 ZINC000023450161 557356593 /nfs/dbraw/zinc/35/65/93/557356593.db2.gz BAORDOTYIXUSQS-HNNXBMFYSA-N 0 1 436.342 6.542 50 0 IKAAMN C[C@@H](NC(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1)c1ccccc1 ZINC000023451312 557357100 /nfs/dbraw/zinc/35/71/00/557357100.db2.gz OUWWRNOWHSTHTI-MRXNPFEDSA-N 0 1 435.449 6.254 50 0 IKAAMN O=C(NCc1ccccc1F)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023451264 557357133 /nfs/dbraw/zinc/35/71/33/557357133.db2.gz CZCYJEZVGYDQPC-UHFFFAOYSA-N 0 1 440.305 6.120 50 0 IKAAMN O=C(NCCc1cccs1)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023451316 557357163 /nfs/dbraw/zinc/35/71/63/557357163.db2.gz 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O=C(NC1Cc2ccccc2C1)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1 ZINC000023456472 557362742 /nfs/dbraw/zinc/36/27/42/557362742.db2.gz DSFFRBNCKFGXSO-UHFFFAOYSA-N 0 1 447.460 5.660 50 0 IKAAMN O=C(c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1)N1CCc2ccccc2C1 ZINC000023457879 557363297 /nfs/dbraw/zinc/36/32/97/557363297.db2.gz SOARUCUJCDGNEI-UHFFFAOYSA-N 0 1 448.353 6.249 50 0 IKAAMN Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102703517 557366043 /nfs/dbraw/zinc/36/60/43/557366043.db2.gz FWPXXWJCAFWHHE-YTFSRNRJSA-N 0 1 432.907 5.008 50 0 IKAAMN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccc4ccccc43)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102707026 557366804 /nfs/dbraw/zinc/36/68/04/557366804.db2.gz XDVFYFCTFGIXLK-CCDWMCETSA-N 0 1 438.458 5.030 50 0 IKAAMN O=c1cc2c(c3occ(-c4ccccc4)c(O)c1-3)[C@H](c1cc(F)c(F)c(F)c1)CC(=O)O2 ZINC000524731779 557370119 /nfs/dbraw/zinc/37/01/19/557370119.db2.gz KILAVLQXCNZKAJ-ZDUSSCGKSA-N 0 1 438.357 5.024 50 0 biogenic IKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000100429657 557402674 /nfs/dbraw/zinc/40/26/74/557402674.db2.gz DYWAUUYYCXLNMX-QLXKLKPCSA-N 0 1 446.934 6.893 50 0 IKAAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)C(F)(F)F)[C@H]2c2ccc(Cl)cc2)C1 ZINC000102927909 557410373 /nfs/dbraw/zinc/41/03/73/557410373.db2.gz XWZIIQCMRFMWSQ-FQEVSTJZSA-N 0 1 448.872 6.695 50 0 IKAAMN CCCCOc1cccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CC)c1 ZINC000102929314 557410692 /nfs/dbraw/zinc/41/06/92/557410692.db2.gz GRJNWRXXNJHRPG-MHZLTWQESA-N 0 1 446.591 7.068 50 0 IKAAMN CCCCOc1cccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CC)c1 ZINC000102929311 557410854 /nfs/dbraw/zinc/41/08/54/557410854.db2.gz GRJNWRXXNJHRPG-HHHXNRCGSA-N 0 1 446.591 7.068 50 0 IKAAMN CCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(OCC)cc1 ZINC000102969897 557414244 /nfs/dbraw/zinc/41/42/44/557414244.db2.gz CNYUPWKSMXDAJH-HHHXNRCGSA-N 0 1 446.591 7.068 50 0 IKAAMN CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1cccc(O)c1 ZINC000102985168 557414878 /nfs/dbraw/zinc/41/48/78/557414878.db2.gz TWGJGBATYROCRQ-AREMUKBSSA-N 0 1 432.564 6.765 50 0 IKAAMN COc1ccccc1C(=O)Nc1ccc(C2C(=O)N(c3cccc(F)c3)N=C2C(C)C)cc1 ZINC000103153909 557424476 /nfs/dbraw/zinc/42/44/76/557424476.db2.gz LBXICPBMSILBOF-UHFFFAOYSA-N 0 1 445.494 5.768 50 0 IKAAMN COc1ccccc1C(=O)Nc1ccc(-c2c(=O)n(-c3cccc(F)c3)[nH]c2C(C)C)cc1 ZINC000103153909 557424479 /nfs/dbraw/zinc/42/44/79/557424479.db2.gz LBXICPBMSILBOF-UHFFFAOYSA-N 0 1 445.494 5.768 50 0 IKAAMN CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000104153314 557451248 /nfs/dbraw/zinc/45/12/48/557451248.db2.gz CHYODOHQZJRDOV-QFIPXVFZSA-N 0 1 428.454 6.518 50 0 IKAAMN COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CC(C)C)cc1 ZINC000104153590 557451390 /nfs/dbraw/zinc/45/13/90/557451390.db2.gz YJVOYPLHJOXXDS-SANMLTNESA-N 0 1 432.564 6.534 50 0 IKAAMN CN1C[C@H](C(=O)c2ccc(Oc3ccc(Cl)cc3)cc2Cl)[C@H](c2ccccc2)C1 ZINC000106343173 557528282 /nfs/dbraw/zinc/52/82/82/557528282.db2.gz GDBDLBPXGKPWAX-VXKWHMMOSA-N 0 1 426.343 6.314 50 0 IKAAMN Cc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)c(Br)c1 ZINC000044837526 557538876 /nfs/dbraw/zinc/53/88/76/557538876.db2.gz ZAPZFSXUEDNYTG-UHFFFAOYSA-N 0 1 435.119 5.162 50 0 IKAAMN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000044837538 557538881 /nfs/dbraw/zinc/53/88/81/557538881.db2.gz SHEGWWJTAUCCFQ-UHFFFAOYSA-N 0 1 444.638 5.764 50 0 IKAAMN CCc1cc([C@H](c2cccc(OC)c2)N2CCC(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546282 557591299 /nfs/dbraw/zinc/59/12/99/557591299.db2.gz GQUJPBIMGXTLHG-QHCPKHFHSA-N 0 1 438.593 5.986 50 0 IKAAMN O=[P@@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1ccc(Cl)cc1 ZINC000032690927 557806124 /nfs/dbraw/zinc/80/61/24/557806124.db2.gz WIXCDLDUYVVUOU-KBNZVFGVSA-N 0 1 448.717 8.505 50 0 IKAAMN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2ccccc2)c(C)c1 ZINC000226826006 557809444 /nfs/dbraw/zinc/80/94/44/557809444.db2.gz UNPWUJZCWFCHDA-DNVJHFABSA-N 0 1 432.907 5.008 50 0 IKAAMN O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2cc1NS(=O)(=O)c1ccccc1 ZINC000000843776 557810923 /nfs/dbraw/zinc/81/09/23/557810923.db2.gz DIWUSXXWRVACHB-UHFFFAOYSA-N 0 1 436.920 5.546 50 0 IKAAMN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@]2(c2ccccc2)C(=O)N1c1ccccc1 ZINC000013645360 557836364 /nfs/dbraw/zinc/83/63/64/557836364.db2.gz FWDPHRPQKVGFJL-QXTIUPHPSA-N 0 1 446.506 5.060 50 0 IKAAMN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@]2(c2ccccc2)C(=O)N1c1ccccc1 ZINC000013645360 557836367 /nfs/dbraw/zinc/83/63/67/557836367.db2.gz FWDPHRPQKVGFJL-QXTIUPHPSA-N 0 1 446.506 5.060 50 0 IKAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@H](c2ccc(Cl)cc2)N1CCc1ccccc1 ZINC000008606544 562956998 /nfs/dbraw/zinc/95/69/98/562956998.db2.gz JEJRMWYVHAWWRC-DEOSSOPVSA-N 0 1 429.907 5.224 50 0 aggregator IKAAMN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nc(-c2ccccc2Br)n[nH]1 ZINC000009780855 562976834 /nfs/dbraw/zinc/97/68/34/562976834.db2.gz HQXPVWPUQLVRMT-LBPRGKRZSA-N 0 1 441.354 5.387 50 0 IKAAMN Clc1ccc2[nH]c(-c3ccc(OCCCN4CCN(c5ccccc5)CC4)cc3)nc2c1 ZINC000020101927 563023619 /nfs/dbraw/zinc/02/36/19/563023619.db2.gz SGXRQWSQRWSZTI-UHFFFAOYSA-N 0 1 446.982 5.474 50 0 IKAAMN C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000013100898 568624862 /nfs/dbraw/zinc/62/48/62/568624862.db2.gz YVMWNDCPJMVOFO-WOJBJXKFSA-N 0 1 448.636 5.493 50 0 IKAAMN COc1cccc(CCNC(=O)c2ccc(-c3cc(-c4cccc5ccccc54)n[nH]3)cc2)c1 ZINC000025149771 568642709 /nfs/dbraw/zinc/64/27/09/568642709.db2.gz ALIDEDQDDGZRMT-UHFFFAOYSA-N 0 1 447.538 5.878 50 0 IKAAMN O=C(c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1)N1CCc2ccccc2C1 ZINC000025151046 568643351 /nfs/dbraw/zinc/64/33/51/568643351.db2.gz XGUVWYWEGLTCDI-UHFFFAOYSA-N 0 1 429.523 6.095 50 0 IKAAMN CN(C)[C@H](CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccsc1 ZINC000025331856 568652604 /nfs/dbraw/zinc/65/26/04/568652604.db2.gz WIINEMIKPFWHQB-QGZVFWFLSA-N 0 1 438.380 5.062 50 0 IKAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1Cc1ccccc1 ZINC000003270056 568744667 /nfs/dbraw/zinc/74/46/67/568744667.db2.gz IQESLZCJEIRIFY-UHFFFAOYSA-N 0 1 446.366 5.239 50 0 IKAAMN Cc1ccc(-c2cc(-c3ccc(C)cc3)nc(NS(=O)(=O)c3ccc(F)cc3)n2)cc1 ZINC000015671163 568802296 /nfs/dbraw/zinc/80/22/96/568802296.db2.gz SYTCYELZOIXAQV-UHFFFAOYSA-N 0 1 433.508 5.367 50 0 IKAAMN Brc1ccc(-c2noc(-c3cc(-c4cccc(Br)c4)n[nH]3)n2)cc1 ZINC000085659764 568833902 /nfs/dbraw/zinc/83/39/02/568833902.db2.gz XOCJQKRPVFJWLL-UHFFFAOYSA-N 0 1 446.102 5.319 50 0 IKAAMN COc1ccccc1[C@@H](c1oc2ccccc2c1NC(=O)c1ccco1)N1CCCCC1 ZINC000015859310 568847099 /nfs/dbraw/zinc/84/70/99/568847099.db2.gz DBVLNLXVFZHZDJ-DEOSSOPVSA-N 0 1 430.504 5.862 50 0 IKAAMN O=C(Nc1c2ccccc2oc1[C@H](c1cccc(F)c1)N1CCCCC1)c1cccs1 ZINC000015859406 568847578 /nfs/dbraw/zinc/84/75/78/568847578.db2.gz YNKRKLRSCKFYSX-QHCPKHFHSA-N 0 1 434.536 6.461 50 0 IKAAMN COc1ccccc1[C@@H](c1oc2ccccc2c1NC(=O)c1ccccc1)N1CCCCC1 ZINC000015859470 568847687 /nfs/dbraw/zinc/84/76/87/568847687.db2.gz XDOPAGUHDXTKML-SANMLTNESA-N 0 1 440.543 6.269 50 0 IKAAMN Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@H](c2cccnc2)N2CCCCC2)cc1 ZINC000015859599 568847860 /nfs/dbraw/zinc/84/78/60/568847860.db2.gz RTUGLMZDEAWKMG-VWLOTQADSA-N 0 1 425.532 5.964 50 0 IKAAMN Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@@H](c2cccnc2)N2CCC(C)CC2)cc1 ZINC000015859604 568847875 /nfs/dbraw/zinc/84/78/75/568847875.db2.gz GNIAYLJMXLPGEH-AREMUKBSSA-N 0 1 439.559 6.210 50 0 IKAAMN Cc1ccc(S(=O)(=O)Nc2nc3c(cc(NC(=O)CC4CCCC4)cc3C)s2)cc1 ZINC000015862038 568848495 /nfs/dbraw/zinc/84/84/95/568848495.db2.gz BCXQYFXPILNWRW-UHFFFAOYSA-N 0 1 443.594 5.233 50 0 IKAAMN COc1ccc(CN(Cc2ccccc2)Cc2cc(=O)c3cc(C)cc(C)c3[nH]2)cc1OC ZINC000015862343 568848681 /nfs/dbraw/zinc/84/86/81/568848681.db2.gz PVXMMCDHABBGIL-UHFFFAOYSA-N 0 1 442.559 5.365 50 0 IKAAMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(-c3ccc4cc(C)ccc4n3)cc2)c1 ZINC000015868492 568852023 /nfs/dbraw/zinc/85/20/23/568852023.db2.gz KBRCNOFLMDQJNB-UHFFFAOYSA-N 0 1 434.517 5.028 50 0 IKAAMN O=C(Nc1cccc(CNCc2ccc(OC(F)(F)F)cc2)c1)c1ccccc1Cl ZINC000012975767 568890134 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IKAAMN CCCN(Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1)Cc1ccccc1OC ZINC000036167845 568968498 /nfs/dbraw/zinc/96/84/98/568968498.db2.gz XVXFLWAKOPKKOL-UHFFFAOYSA-N 0 1 441.571 5.985 50 0 IKAAMN CCC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC ZINC000036302176 568993985 /nfs/dbraw/zinc/99/39/85/568993985.db2.gz QWGDRIVIWGVXPP-JOCHJYFZSA-N 0 1 437.584 5.355 50 0 IKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C[C@@H](O)CC ZINC000036303786 568994194 /nfs/dbraw/zinc/99/41/94/568994194.db2.gz GBCBREMMUQBBOL-NRFANRHFSA-N 0 1 427.976 5.609 50 0 IKAAMN CCCN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)CC ZINC000036316471 568999775 /nfs/dbraw/zinc/99/97/75/568999775.db2.gz CGUCTVWBKNQQSH-FQEVSTJZSA-N 0 1 425.548 5.349 50 0 IKAAMN CCC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036346056 569080821 /nfs/dbraw/zinc/08/08/21/569080821.db2.gz DAVJEDFZINCMAO-OAQYLSRUSA-N 0 1 425.548 5.485 50 0 IKAAMN CCCC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036346043 569080828 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ZINC000027531499 569266095 /nfs/dbraw/zinc/26/60/95/569266095.db2.gz DOJDUOQKIHAIJX-XMMPIXPASA-N 0 1 448.353 5.428 50 0 IKAAMN COc1ccc([C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)c2c(O)cc(C)oc2=O)cc1 ZINC000253470954 569282548 /nfs/dbraw/zinc/28/25/48/569282548.db2.gz ISCJCFSCQKCZCQ-MRXNPFEDSA-N 0 1 448.302 5.130 50 0 IKAAMN CC(=O)c1cccc(NC(=O)[C@@H](Sc2nc3ccc(Cl)cc3[nH]2)c2ccccc2)c1 ZINC000334162626 569285653 /nfs/dbraw/zinc/28/56/53/569285653.db2.gz DDFHFWXSAUWRFT-NRFANRHFSA-N 0 1 435.936 5.891 50 0 IKAAMN CCOC(=O)C1=C(C)Nc2c(cnn2-c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000008873387 569291675 /nfs/dbraw/zinc/29/16/75/569291675.db2.gz DSOFUOUMMAYACG-HXUWFJFHSA-N 0 1 428.319 5.574 50 0 IKAAMN CN1C[C@@H](C(=O)c2ccc(Oc3ccc(Cl)cc3)cc2Cl)[C@@H](c2ccccc2)C1 ZINC000008888305 569292088 /nfs/dbraw/zinc/29/20/88/569292088.db2.gz GDBDLBPXGKPWAX-FGZHOGPDSA-N 0 1 426.343 6.314 50 0 IKAAMN O=C([O-])[C@H]1CCC[N@@H+](CCO[C@@H](c2ccccc2)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000082048292 569304839 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/nfs/dbraw/zinc/08/17/88/557081788.db2.gz NAVCHBXWTXWUDQ-UHFFFAOYSA-N 0 1 426.482 5.607 50 0 IKAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(Br)cc3C)c(C)s2)cs1 ZINC000033308391 557088828 /nfs/dbraw/zinc/08/88/28/557088828.db2.gz HQZMKZCPKDZCGI-UHFFFAOYSA-N 0 1 443.413 5.360 50 0 IKAAMN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(Br)cc3)c(C)s2)cs1 ZINC000033308390 557088864 /nfs/dbraw/zinc/08/88/64/557088864.db2.gz KBNBPHSYEIWDEM-UHFFFAOYSA-N 0 1 429.386 5.052 50 0 IKAAMN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000023593310 557100061 /nfs/dbraw/zinc/10/00/61/557100061.db2.gz XQTTZAUUSMSNCI-UHFFFAOYSA-N 0 1 445.592 5.151 50 0 IKAAMN CN(C)c1cccc(N(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1 ZINC000086012855 557105816 /nfs/dbraw/zinc/10/58/16/557105816.db2.gz DRNAQRXLOSUHBQ-UHFFFAOYSA-N 0 1 436.624 7.258 50 0 IKAAMN CCn1c2ccccc2c(C)c1-c1cc(NC(=O)c2ccc(C)c(Br)c2)[nH]n1 ZINC000085824790 557120679 /nfs/dbraw/zinc/12/06/79/557120679.db2.gz FYHHGDPZNZCBJG-UHFFFAOYSA-N 0 1 437.341 5.683 50 0 IKAAMN CN1CCN(c2ccccc2NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000008671975 557120890 /nfs/dbraw/zinc/12/08/90/557120890.db2.gz YHXAHURDOPRQCT-UHFFFAOYSA-N 0 1 430.335 5.258 50 0 IKAAMN C[C@H](NCC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)c1cccs1 ZINC000024751730 557162633 /nfs/dbraw/zinc/16/26/33/557162633.db2.gz ZPMRYJQTAZCQIX-AWEZNQCLSA-N 0 1 447.482 5.309 50 0 IKAAMN O=C(Cc1csc(-c2ccsc2)n1)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000024927437 557180420 /nfs/dbraw/zinc/18/04/20/557180420.db2.gz HXOQIAAHQBADNW-JOCHJYFZSA-N 0 1 430.558 5.196 50 0 IKAAMN CC(C)c1cc(Br)ccc1NC(=O)CSc1nc(-c2ccccc2)n[nH]1 ZINC000009426741 557188591 /nfs/dbraw/zinc/18/85/91/557188591.db2.gz GNTHVKZUVRDGHQ-UHFFFAOYSA-N 0 1 431.359 5.088 50 0 IKAAMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(Br)cc3C(C)C)n2)cc1 ZINC000009614909 557191810 /nfs/dbraw/zinc/19/18/10/557191810.db2.gz RPKUULPTHKOHHE-UHFFFAOYSA-N 0 1 445.386 5.397 50 0 IKAAMN Clc1ccc2c(c1)nc(CN1CCN(Cc3ccccc3)CC1)n2Cc1ccccc1 ZINC000096318740 557199194 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ZINC000101373342 557275637 /nfs/dbraw/zinc/27/56/37/557275637.db2.gz BRHVXVCDVNHEPY-AFMDSPMNSA-N 0 1 440.568 6.708 50 0 IKAAMN Cc1ccc(NC(=S)N2CCC(c3cc(=O)n(-c4ccccc4)[nH]3)CC2)cc1Cl ZINC000101412033 557284396 /nfs/dbraw/zinc/28/43/96/557284396.db2.gz KEHXAGYCTIKCDP-UHFFFAOYSA-N 0 1 426.973 5.116 50 0 IKAAMN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@@H]3c3ccco3)C2)cc1 ZINC000101380643 557292257 /nfs/dbraw/zinc/29/22/57/557292257.db2.gz VJPJZXLIGRIPPM-CCLHPLFOSA-N 0 1 438.527 6.548 50 0 IKAAMN Cc1ccc(NC(=O)c2ccc3[nH]cc4c(=O)n(-c5ccc(Cl)cc5)nc-4c3c2)cc1F ZINC000101827758 557299458 /nfs/dbraw/zinc/29/94/58/557299458.db2.gz QYBCRBPWTFWONI-UHFFFAOYSA-N 0 1 446.869 5.172 50 0 IKAAMN Cc1ccc(-n2nc3c4cc(C(=O)Nc5ccc6c(c5)CCC6)ccc4[nH]cc-3c2=O)cc1C ZINC000101827909 557299798 /nfs/dbraw/zinc/29/97/98/557299798.db2.gz BYKFKCQGHMODLN-UHFFFAOYSA-N 0 1 448.526 5.176 50 0 IKAAMN Cc1ccc(-n2nc3c4cc(C(=O)Nc5ccc(C)c(F)c5)ccc4[nH]cc-3c2=O)cc1C ZINC000101827936 557299822 /nfs/dbraw/zinc/29/98/22/557299822.db2.gz AGGIKFYLWQNPCW-UHFFFAOYSA-N 0 1 440.478 5.135 50 0 IKAAMN Cc1ccc(NC(=O)c2ccc3[nH]cc4c(=O)n(-c5ccc(C)c(C)c5)nc-4c3c2)cc1C ZINC000101827946 557299867 /nfs/dbraw/zinc/29/98/67/557299867.db2.gz NIRFYQDVSFFIRQ-UHFFFAOYSA-N 0 1 436.515 5.305 50 0 IKAAMN CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c[nH]c2ccccc21 ZINC000102003816 557311996 /nfs/dbraw/zinc/31/19/96/557311996.db2.gz WKUMSRDHBIETNG-HHHXNRCGSA-N 0 1 441.575 7.007 50 0 IKAAMN CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c[nH]c2ccccc21 ZINC000102003810 557312005 /nfs/dbraw/zinc/31/20/05/557312005.db2.gz WKUMSRDHBIETNG-MHZLTWQESA-N 0 1 441.575 7.007 50 0 IKAAMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-c2nc3ccccc3s2)cc1C ZINC000033124053 557324614 /nfs/dbraw/zinc/32/46/14/557324614.db2.gz ZSJFWJBTYGDTLO-UHFFFAOYSA-N 0 1 444.965 5.735 50 0 IKAAMN CCCN1CCN(C(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4Cl)[nH]n3)cc2)CC1 ZINC000023332563 557345660 /nfs/dbraw/zinc/34/56/60/557345660.db2.gz BTQPAQDDXJJAJX-UHFFFAOYSA-N 0 1 443.378 5.218 50 0 IKAAMN CCCN1CCN(C(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4Cl)n[nH]3)cc2)CC1 ZINC000023332563 557345664 /nfs/dbraw/zinc/34/56/64/557345664.db2.gz BTQPAQDDXJJAJX-UHFFFAOYSA-N 0 1 443.378 5.218 50 0 IKAAMN C[C@@H]1CCCN(Cc2csc(-c3cccc(-c4cccc(OC(F)(F)F)c4)c3)n2)C1 ZINC000023430702 557355159 /nfs/dbraw/zinc/35/51/59/557355159.db2.gz PWBHRVRXSNEEDE-MRXNPFEDSA-N 0 1 432.511 6.608 50 0 IKAAMN O=C(NCc1ccccc1F)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1 ZINC000023452201 557356010 /nfs/dbraw/zinc/35/60/10/557356010.db2.gz FYYCJMAQEHTOBE-UHFFFAOYSA-N 0 1 439.412 5.832 50 0 IKAAMN O=C(NCc1ccsc1)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023448617 557356221 /nfs/dbraw/zinc/35/62/21/557356221.db2.gz KGTURRISXSGZND-UHFFFAOYSA-N 0 1 428.344 6.042 50 0 IKAAMN O=C(NCc1cccs1)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1 ZINC000023450990 557356820 /nfs/dbraw/zinc/35/68/20/557356820.db2.gz LGKFSMPFXMBVEC-UHFFFAOYSA-N 0 1 427.451 5.754 50 0 IKAAMN O=C(N[C@H]1CCC[C@@H]1OCc1ccccc1)c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1 ZINC000023442487 557358337 /nfs/dbraw/zinc/35/83/37/557358337.db2.gz OOUNXEQZPLWBFY-IGKIAQTJSA-N 0 1 437.543 5.611 50 0 IKAAMN CCOc1ccccc1CNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000023445858 557358892 /nfs/dbraw/zinc/35/88/92/557358892.db2.gz AEZMPZWZSYEXQK-UHFFFAOYSA-N 0 1 431.923 5.726 50 0 IKAAMN COc1ccc2c(c1)CCc1c(-c3ccc(C(=O)NCc4cccc(Cl)c4)cc3)n[nH]c1-2 ZINC000023457588 557363016 /nfs/dbraw/zinc/36/30/16/557363016.db2.gz IMKWVJFIZRRREM-UHFFFAOYSA-N 0 1 443.934 5.434 50 0 IKAAMN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102703523 557366138 /nfs/dbraw/zinc/36/61/38/557366138.db2.gz FWPXXWJCAFWHHE-DNVJHFABSA-N 0 1 432.907 5.008 50 0 IKAAMN COc1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000102775248 557382355 /nfs/dbraw/zinc/38/23/55/557382355.db2.gz SIEROZRAJQYOLF-WXTAPIANSA-N 0 1 428.488 5.858 50 0 IKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(OC)cc1 ZINC000100429572 557402728 /nfs/dbraw/zinc/40/27/28/557402728.db2.gz QPJOZWQOFMZQPP-CLYVBNDRSA-N 0 1 442.515 6.248 50 0 IKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(OC)cc1 ZINC000100429576 557402741 /nfs/dbraw/zinc/40/27/41/557402741.db2.gz QPJOZWQOFMZQPP-XRHLQHRESA-N 0 1 442.515 6.248 50 0 IKAAMN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)cc3)CC(=O)C2[C@H]1c1ccco1 ZINC000100429434 557402779 /nfs/dbraw/zinc/40/27/79/557402779.db2.gz CLGJGVPRZABLNA-XRHLQHRESA-N 0 1 442.515 6.248 50 0 IKAAMN O=S(=O)(c1ccc(Cl)cc1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1 ZINC000034241424 557406065 /nfs/dbraw/zinc/40/60/65/557406065.db2.gz BLUXGHKLHZGDOF-UHFFFAOYSA-N 0 1 440.996 5.200 50 0 IKAAMN CCNC(=S)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(OC)cc1 ZINC000103524826 557438416 /nfs/dbraw/zinc/43/84/16/557438416.db2.gz LWNNTGLJJKCIJE-HSZRJFAPSA-N 0 1 435.593 5.856 50 0 IKAAMN 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IKAAMN COc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2cccs2)N2CCCCC2)cc1 ZINC000015859372 568847541 /nfs/dbraw/zinc/84/75/41/568847541.db2.gz DXEYQJCLZVCLMG-DEOSSOPVSA-N 0 1 446.572 6.331 50 0 IKAAMN CC1CCN([C@@H](c2oc3ccccc3c2NC(=O)c2cccs2)c2cccnc2)CC1 ZINC000015859414 568847561 /nfs/dbraw/zinc/84/75/61/568847561.db2.gz AMQRFNGQNOGVGG-HSZRJFAPSA-N 0 1 431.561 5.963 50 0 IKAAMN CC1CCN([C@H](c2oc3ccccc3c2NC(=O)c2cccs2)c2cccnc2)CC1 ZINC000015859413 568847654 /nfs/dbraw/zinc/84/76/54/568847654.db2.gz AMQRFNGQNOGVGG-QHCPKHFHSA-N 0 1 431.561 5.963 50 0 IKAAMN COc1ccc(CN(Cc2ccccc2)Cc2cc(=O)c3c(C)ccc(C)c3[nH]2)cc1OC ZINC000015862345 568848630 /nfs/dbraw/zinc/84/86/30/568848630.db2.gz KHJIPLSACIETLF-UHFFFAOYSA-N 0 1 442.559 5.365 50 0 IKAAMN CCOc1ccc(C(=O)Nc2cccc(CCc3nc4ccc(C)cc4[nH]3)c2)cc1OCC ZINC000015863599 568849339 /nfs/dbraw/zinc/84/93/39/568849339.db2.gz PGHKIDUITSVRDM-UHFFFAOYSA-N 0 1 443.547 5.706 50 0 IKAAMN CCc1c(C)sc2c1CCN(Cc1nc(-c3ccc(C)cc3)oc1C)[C@H]2c1ccccc1 ZINC000015864878 568850344 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555519463 /nfs/dbraw/zinc/51/94/63/555519463.db2.gz YEQSNFUVPVIRBC-UHFFFAOYSA-N 0 1 425.428 5.067 50 0 IKAAMN Cc1csc2c1ncnc2Sc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000001026529 555604295 /nfs/dbraw/zinc/60/42/95/555604295.db2.gz GOZYELSXDIRXCV-UHFFFAOYSA-N 0 1 447.994 5.605 50 0 IKAAMN O=C1C(=Nc2ccc(F)cc2)C[C@H](c2ccc(Br)cc2)N1c1ccc(F)cc1 ZINC000002061318 555731958 /nfs/dbraw/zinc/73/19/58/555731958.db2.gz IXMWLMVYJNUPNO-OAQYLSRUSA-N 0 1 441.275 5.811 50 0 IKAAMN Cc1cc(C)cc(N=C2C[C@H](c3cccc4ccccc43)N(c3cc(C)cc(C)c3)C2=O)c1 ZINC000002332099 555769274 /nfs/dbraw/zinc/76/92/74/555769274.db2.gz KIJUUHCEMHWADZ-GDLZYMKVSA-N 0 1 432.567 7.157 50 0 IKAAMN Cc1ccc(CN(CCC(C)C)Cc2ccc(C(=O)NCc3ccccc3F)o2)s1 ZINC000034670202 555792759 /nfs/dbraw/zinc/79/27/59/555792759.db2.gz RUJAXEFLWIDIHT-UHFFFAOYSA-N 0 1 428.573 5.767 50 0 IKAAMN COc1cccc(CN2CCC(N(C(=O)c3cccs3)c3ccccc3)CC2)c1OC ZINC000034682498 555816361 /nfs/dbraw/zinc/81/63/61/555816361.db2.gz YWJIBKJPAHIRAJ-UHFFFAOYSA-N 0 1 436.577 5.077 50 0 IKAAMN COc1ccc(OC)c(CN2CCC(N(C(=O)c3ccc(F)cc3)c3ccccc3)CC2)c1 ZINC000034682463 555816437 /nfs/dbraw/zinc/81/64/37/555816437.db2.gz BFWRGNNVCSMHQD-UHFFFAOYSA-N 0 1 448.538 5.154 50 0 IKAAMN Cc1cccc(C(=O)N(c2ccc(F)cc2)C2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000034682765 555817123 /nfs/dbraw/zinc/81/71/23/555817123.db2.gz SSLZXIPSCLVUBP-UHFFFAOYSA-N 0 1 436.958 6.099 50 0 IKAAMN Cc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000034682939 555817538 /nfs/dbraw/zinc/81/75/38/555817538.db2.gz UEBUDINFXUWGEG-UHFFFAOYSA-N 0 1 442.559 5.078 50 0 IKAAMN COc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000034682808 555817554 /nfs/dbraw/zinc/81/75/54/555817554.db2.gz VCUTWEKURONSKL-UHFFFAOYSA-N 0 1 434.967 5.660 50 0 IKAAMN CCc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000034683085 555818113 /nfs/dbraw/zinc/81/81/13/555818113.db2.gz LMBLZCQBYMUGOJ-UHFFFAOYSA-N 0 1 432.995 6.214 50 0 IKAAMN COc1cccc(N(C(=O)c2ccc(C)cc2)C2CCN(Cc3cccc(O)c3)CC2)c1 ZINC000034683614 555819100 /nfs/dbraw/zinc/81/91/00/555819100.db2.gz LSVYUQAKQMHCHQ-UHFFFAOYSA-N 0 1 430.548 5.021 50 0 IKAAMN COc1cc(CN2CCC(N(C(=O)c3ccc(C)cc3)c3ccc(F)cc3)CC2)ccc1O ZINC000034683566 555819163 /nfs/dbraw/zinc/81/91/63/555819163.db2.gz SHIJRBUYIJYBRJ-UHFFFAOYSA-N 0 1 448.538 5.160 50 0 IKAAMN CCc1ccc(N(C2CCN(Cc3cccs3)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000034683824 555819399 /nfs/dbraw/zinc/81/93/99/555819399.db2.gz VTELLRVTBIZURY-UHFFFAOYSA-N 0 1 440.634 5.170 50 0 IKAAMN CSc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3)c2)c1 ZINC000002883210 555856628 /nfs/dbraw/zinc/85/66/28/555856628.db2.gz PBFZCOFPMBEEDX-UHFFFAOYSA-N 0 1 446.981 5.423 50 0 IKAAMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccccc3)ccc2Cl)c(C)c1 ZINC000002886527 555858385 /nfs/dbraw/zinc/85/83/85/555858385.db2.gz CQWPJOUMPCXWBI-KRWDZBQOSA-N 0 1 442.968 5.249 50 0 IKAAMN Cc1ccc(C(=O)NCc2ccccc2C)c(C2CCN(Cc3ccc(Cl)cc3)CC2)n1 ZINC000034730090 555869653 /nfs/dbraw/zinc/86/96/53/555869653.db2.gz JPDRJTRPHOSUPI-UHFFFAOYSA-N 0 1 448.010 5.661 50 0 IKAAMN Cc1ccc(C(=O)NCC2CCCCC2)c(C2CCN(Cc3ccccc3Cl)CC2)n1 ZINC000034729994 555869720 /nfs/dbraw/zinc/86/97/20/555869720.db2.gz ZMJUANWGXNNTAA-UHFFFAOYSA-N 0 1 440.031 5.733 50 0 IKAAMN COc1ccccc1N1CCN(CC[C@@H](Oc2cc(C)ccc2F)c2cccs2)CC1 ZINC000034726865 555882087 /nfs/dbraw/zinc/88/20/87/555882087.db2.gz YEMBYGJRLSLKSE-HSZRJFAPSA-N 0 1 440.584 5.537 50 0 IKAAMN Fc1ccc(N2CCN(CC[C@H](Oc3ccc(F)cc3Cl)c3cccs3)CC2)cc1 ZINC000034726933 555882346 /nfs/dbraw/zinc/88/23/46/555882346.db2.gz OPXDYFDDWANVOQ-QFIPXVFZSA-N 0 1 448.966 6.012 50 0 IKAAMN Fc1ccccc1O[C@H](CCN1CCN(Cc2ccccc2)CC1)c1ccccc1Cl ZINC000034726998 555882426 /nfs/dbraw/zinc/88/24/26/555882426.db2.gz VVOBAQJMBLXFKU-RUZDIDTESA-N 0 1 438.974 5.807 50 0 IKAAMN Fc1ccc(N2CCN(CC[C@@H](Oc3ccc(Cl)cc3)c3cccs3)CC2)cc1 ZINC000034726895 555882433 /nfs/dbraw/zinc/88/24/33/555882433.db2.gz ZAAMIJHPWINDTD-JOCHJYFZSA-N 0 1 430.976 5.873 50 0 IKAAMN CC(C)N1CCN(C2=Nc3ccccc3Oc3ccc(NC(=O)C4CCCC4)cc32)CC1 ZINC000034790594 555916272 /nfs/dbraw/zinc/91/62/72/555916272.db2.gz UJPHUONTPDSKLV-UHFFFAOYSA-N 0 1 432.568 5.025 50 0 IKAAMN CC(C)(C)c1ccc(-c2[nH]nc(C3CC3)c2NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000034796671 555918048 /nfs/dbraw/zinc/91/80/48/555918048.db2.gz KTTKSRPRJRNAFM-UHFFFAOYSA-N 0 1 442.485 6.914 50 0 IKAAMN COc1ccc(-c2[nH]nc(C3CC3)c2NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1OC ZINC000034796579 555918076 /nfs/dbraw/zinc/91/80/76/555918076.db2.gz DQKUBEPVHFTEKH-UHFFFAOYSA-N 0 1 446.429 5.634 50 0 IKAAMN COc1ccc(NC(=O)Nc2c(C3CC3)n[nH]c2-c2ccc(C(F)(F)F)cc2)c(OC)c1 ZINC000034796662 555918109 /nfs/dbraw/zinc/91/81/09/555918109.db2.gz MPOBJQVRYRDOEX-UHFFFAOYSA-N 0 1 446.429 5.634 50 0 IKAAMN CCc1ccc(N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)N(c3ccc(CC)cc3)C2=O)cc1 ZINC000003670065 555945426 /nfs/dbraw/zinc/94/54/26/555945426.db2.gz XVYDULKZBDZJAA-NDEPHWFRSA-N 0 1 438.615 7.193 50 0 IKAAMN CN1CCN(c2ccc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)cc2)CC1 ZINC000004122536 555965358 /nfs/dbraw/zinc/96/53/58/555965358.db2.gz QHZBBYLAKDGXAM-UHFFFAOYSA-N 0 1 430.335 5.258 50 0 IKAAMN CC(C)N(CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000004574094 556002070 /nfs/dbraw/zinc/00/20/70/556002070.db2.gz PCNJVSSSPXTRCT-DEOSSOPVSA-N 0 1 428.617 5.608 50 0 IKAAMN CCC(C)(C)[C@H]1CCc2oc3ccc(NS(=O)(=O)c4cccc5cccnc54)cc3c2C1 ZINC000006300233 556084595 /nfs/dbraw/zinc/08/45/95/556084595.db2.gz ZLSNFQDVUCZEGE-SFHVURJKSA-N 0 1 448.588 6.323 50 0 IKAAMN Nc1ccc2[nH]c(-c3ccc(Oc4ccc(-c5nc6ccc(N)cc6[nH]5)cc4)cc3)nc2c1 ZINC000006444991 556087943 /nfs/dbraw/zinc/08/79/43/556087943.db2.gz GLCPSWHSQFDBFV-UHFFFAOYSA-N 0 1 432.487 5.730 50 0 IKAAMN CCOc1ccccc1CN(CCc1ccc2c(c1)OCO2)Cc1ccc(OC)cc1OC ZINC000002768376 556139846 /nfs/dbraw/zinc/13/98/46/556139846.db2.gz KUWDLWFWUYACQQ-UHFFFAOYSA-N 0 1 449.547 5.076 50 0 IKAAMN CCc1ccc([C@@H](C)NCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000002795091 556145218 /nfs/dbraw/zinc/14/52/18/556145218.db2.gz FITKBPLAYVCAJC-CYBMUJFWSA-N 0 1 434.392 5.969 50 0 IKAAMN CC1(C)c2ccccc2-n2c1cc(O)c(Sc1cc(Cl)c(Cl)cc1Cl)c2=O ZINC000008384792 556160516 /nfs/dbraw/zinc/16/05/16/556160516.db2.gz NFMAFJLRDIUIBK-UHFFFAOYSA-N 0 1 438.763 6.294 50 0 IKAAMN COc1ccc(-c2nc(-c3cccc(C(=O)c4ccccc4)c3)c(-c3ccccc3)[nH]2)cc1 ZINC000008425669 556168269 /nfs/dbraw/zinc/16/82/69/556168269.db2.gz FWCVEJPMNIASJG-UHFFFAOYSA-N 0 1 430.507 6.650 50 0 IKAAMN COc1cc(-c2nc(-c3cccc(Cl)c3Cl)c(-c3ccccc3)[nH]2)cc(OC)c1O ZINC000013711994 556284477 /nfs/dbraw/zinc/28/44/77/556284477.db2.gz ATVMJFSOPSSRLZ-UHFFFAOYSA-N 0 1 441.314 6.440 50 0 IKAAMN O=C(CC1C(=O)Nc2nc(SCc3ccccc3)nn21)Nc1ccc(Cl)cc1Cl ZINC000013730134 556295100 /nfs/dbraw/zinc/29/51/00/556295100.db2.gz LQJVPJGAGWXOPY-HNNXBMFYSA-N 0 1 448.335 5.049 50 0 IKAAMN COc1ccc(-c2nc(-c3ccc(C(=O)c4ccc(F)cc4)cc3)c(-c3ccccc3)[nH]2)cc1 ZINC000013799087 556309797 /nfs/dbraw/zinc/30/97/97/556309797.db2.gz KDCRPQMXTCIEBF-UHFFFAOYSA-N 0 1 448.497 6.789 50 0 IKAAMN COc1cccc(-c2nc3ccccc3c(Oc3ccc(Br)cc3C)n2)c1O ZINC000013811459 556312538 /nfs/dbraw/zinc/31/25/38/556312538.db2.gz YVBKXDCNWAWRNY-UHFFFAOYSA-N 0 1 437.293 5.874 50 0 IKAAMN O=C(C1CCN(Cc2ccc(Cl)cc2)CC1)N(CCc1ccccc1)Cc1ccccc1 ZINC000013893547 556327953 /nfs/dbraw/zinc/32/79/53/556327953.db2.gz HMNGCEHPLYDNTD-UHFFFAOYSA-N 0 1 447.022 5.824 50 0 IKAAMN Clc1ccc(Cn2cc(CNCc3ccccc3Cl)c3ccccc32)c(Cl)c1 ZINC000010315511 556330379 /nfs/dbraw/zinc/33/03/79/556330379.db2.gz QDHSAQWBGBXFOW-UHFFFAOYSA-N 0 1 429.778 6.940 50 0 IKAAMN COc1ccc(NC(=O)CCC2CCN(Cc3c(F)cccc3Cl)CC2)c(OC)c1 ZINC000011662639 556344048 /nfs/dbraw/zinc/34/40/48/556344048.db2.gz JWNFHMIIBJUUNM-UHFFFAOYSA-N 0 1 434.939 5.127 50 0 IKAAMN C[C@H](NCc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21)c1ccc(F)cc1 ZINC000011664863 556345661 /nfs/dbraw/zinc/34/56/61/556345661.db2.gz MDJHANWEZJYRDN-KRWDZBQOSA-N 0 1 442.966 5.384 50 0 IKAAMN CCOc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)ccc1OC(F)F ZINC000013960133 556347234 /nfs/dbraw/zinc/34/72/34/556347234.db2.gz UXHGOMSCAOYHLA-UHFFFAOYSA-N 0 1 442.249 5.636 50 0 IKAAMN OC1(Cc2cc(-c3ccccc3)no2)CCN(Cc2ccc(OC3CCCC3)cc2)CC1 ZINC000011705706 556347805 /nfs/dbraw/zinc/34/78/05/556347805.db2.gz KEWFXLDSCYSBJC-UHFFFAOYSA-N 0 1 432.564 5.233 50 0 IKAAMN CCCn1cc(CN2CCC(C(=O)Nc3ccc(-c4cccc(C)c4)cc3)CC2)c(C)n1 ZINC000011815558 556358456 /nfs/dbraw/zinc/35/84/56/556358456.db2.gz AWXOVPFODGKOOW-UHFFFAOYSA-N 0 1 430.596 5.428 50 0 IKAAMN COc1ccc(-c2nc(CN3CCC[C@@H]3c3nc4ccc(F)cc4[nH]3)c(C)o2)c(C)c1C ZINC000011819533 556361553 /nfs/dbraw/zinc/36/15/53/556361553.db2.gz PDQRXXITASTVHI-JOCHJYFZSA-N 0 1 434.515 5.628 50 0 IKAAMN Cc1ccc(-c2csc3[nH]c(CN[C@@H](C)c4ccc5c(c4)CCCC5)nc(=O)c23)s1 ZINC000014092802 556365759 /nfs/dbraw/zinc/36/57/59/556365759.db2.gz HDPRZXNKZQAVEG-HNNXBMFYSA-N 0 1 435.618 5.751 50 0 IKAAMN O=C(CN[C@H](c1cccs1)c1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000014123991 556372841 /nfs/dbraw/zinc/37/28/41/556372841.db2.gz CXGVJXKGBFAKTL-DEOSSOPVSA-N 0 1 447.629 5.443 50 0 IKAAMN Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000011935335 556378238 /nfs/dbraw/zinc/37/82/38/556378238.db2.gz UXFASUZTEURKDV-UHFFFAOYSA-N 0 1 440.469 5.925 50 0 IKAAMN Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCC(OCc2ccccc2)CC1 ZINC000012073789 556396399 /nfs/dbraw/zinc/39/63/99/556396399.db2.gz DYXSADUGRWSUIP-UHFFFAOYSA-N 0 1 440.927 5.213 50 0 IKAAMN CCc1ccc([C@H]2c3c(n[nH]c3-c3ccc(OC)cc3)C(=O)N2CCc2ccccc2)cc1 ZINC000032593540 556407004 /nfs/dbraw/zinc/40/70/04/556407004.db2.gz PFXBSSOGGTXTSX-MHZLTWQESA-N 0 1 437.543 5.436 50 0 IKAAMN O=C(NC[C@@H](c1ccccc1Cl)N1CCCCCC1)c1cc(-c2cccs2)on1 ZINC000032623495 556410729 /nfs/dbraw/zinc/41/07/29/556410729.db2.gz XCFLJFRLGICAPR-IBGZPJMESA-N 0 1 429.973 5.404 50 0 IKAAMN Cc1cc(C(=O)CSc2nc3ccc(C)cc3[nH]2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000014361529 556414818 /nfs/dbraw/zinc/41/48/18/556414818.db2.gz GGVAYJXTIRBIIY-UHFFFAOYSA-N 0 1 433.533 5.042 50 0 IKAAMN CN1CCN(c2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000032675931 556415903 /nfs/dbraw/zinc/41/59/03/556415903.db2.gz YQLSUVQLCNXXFG-UHFFFAOYSA-N 0 1 439.481 5.377 50 0 IKAAMN CN(Cc1ccc(Br)s1)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000032843115 556428113 /nfs/dbraw/zinc/42/81/13/556428113.db2.gz WAKCYTPVUIOWIC-SFHVURJKSA-N 0 1 432.383 5.049 50 0 IKAAMN C[C@@H]1CCN(C(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)c2ccccc2S1 ZINC000013014932 556437074 /nfs/dbraw/zinc/43/70/74/556437074.db2.gz DAYKCTLPJTWPOI-CYBMUJFWSA-N 0 1 430.986 5.135 50 0 IKAAMN Cc1c2cc(Br)ccc2oc1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000027992657 556440452 /nfs/dbraw/zinc/44/04/52/556440452.db2.gz PDASQOLIHRNOIQ-INIZCTEOSA-N 0 1 433.371 5.132 50 0 IKAAMN Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)N1CCCC1 ZINC000028289192 556449175 /nfs/dbraw/zinc/44/91/75/556449175.db2.gz ZPMCDHAZUFIRFH-QFIPXVFZSA-N 0 1 438.999 6.259 50 0 IKAAMN Cc1cc(C)c2oc(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)N3CCCC3)cc(=O)c2c1 ZINC000028289553 556449210 /nfs/dbraw/zinc/44/92/10/556449210.db2.gz QYRUNJFBJQIXQJ-HSZRJFAPSA-N 0 1 446.591 5.274 50 0 IKAAMN CCc1ccc2oc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N3CCCC3)cc(=O)c2c1 ZINC000028289485 556449252 /nfs/dbraw/zinc/44/92/52/556449252.db2.gz LPILQALLGDAWRN-QHCPKHFHSA-N 0 1 446.591 5.220 50 0 IKAAMN Cc1cc2oc(C(=O)NC[C@H](c3cccs3)N3CCCCCC3)cc(=O)c2cc1Cl ZINC000028289968 556449474 /nfs/dbraw/zinc/44/94/74/556449474.db2.gz OXBUSWUEBGMSCO-GOSISDBHSA-N 0 1 444.984 5.163 50 0 IKAAMN Cc1cc(C)c2oc(C(=O)NC[C@H](c3ccc(C(C)C)cc3)N3CCCCC3)cc(=O)c2c1 ZINC000028292655 556450624 /nfs/dbraw/zinc/45/06/24/556450624.db2.gz BDDFEYMEIMOAJB-XMMPIXPASA-N 0 1 446.591 5.490 50 0 IKAAMN Cc1cc2oc(C(=O)NC[C@H](c3ccc(C(C)C)cc3)N3CCCCC3)cc(=O)c2cc1C ZINC000028293039 556450712 /nfs/dbraw/zinc/45/07/12/556450712.db2.gz PUSLXVULACMMEF-XMMPIXPASA-N 0 1 446.591 5.490 50 0 IKAAMN O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccccc1F ZINC000013100367 556459826 /nfs/dbraw/zinc/45/98/26/556459826.db2.gz IKWZFXNTCJUZFZ-UHFFFAOYSA-N 0 1 439.295 5.186 50 0 IKAAMN COc1ccc2cc(-c3[nH]c(-c4ccc([S@@](C)=O)cc4)nc3-c3ccncc3)ccc2c1 ZINC000028823975 556461791 /nfs/dbraw/zinc/46/17/91/556461791.db2.gz SINQIEAULQKUPD-YTTGMZPUSA-N 0 1 439.540 5.705 50 0 in-vitro IKAAMN Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC(OCc2ccccc2)CC1 ZINC000014975128 556468137 /nfs/dbraw/zinc/46/81/37/556468137.db2.gz RPXGXNUBZLJAFY-UHFFFAOYSA-N 0 1 430.470 5.850 50 0 IKAAMN O=C1c2ccccc2-c2ccc(-c3nc(-c4cccc(Cl)c4)[nH]c3-c3ccccc3)cc21 ZINC000013284596 556501804 /nfs/dbraw/zinc/50/18/04/556501804.db2.gz QABFAUPYGZSOMS-UHFFFAOYSA-N 0 1 432.910 7.276 50 0 IKAAMN Fc1ccc(-c2nc(-c3cccc(Cl)c3)c(-c3ccccc3)[nH]2)cc1Br ZINC000013534038 556512991 /nfs/dbraw/zinc/51/29/91/556512991.db2.gz HQIAOJVLLSYFCU-UHFFFAOYSA-N 0 1 427.704 6.966 50 0 IKAAMN COc1ccc2[nH]cc(CCN3C(=O)c4n[nH]c(C)c4[C@H]3c3ccc(C(C)C)cc3)c2c1 ZINC000013570312 556521833 /nfs/dbraw/zinc/52/18/33/556521833.db2.gz KIBFUKHRZRTHQG-RUZDIDTESA-N 0 1 428.536 5.119 50 0 IKAAMN CC[C@@H]1CN(Cc2ccccc2)CCN1C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000072303034 556547534 /nfs/dbraw/zinc/54/75/34/556547534.db2.gz RDJBNNMAGAXSBV-HXUWFJFHSA-N 0 1 437.971 5.051 50 0 IKAAMN O=C(Nc1c2ccccc2oc1C(=O)c1ccc(Cl)cc1)c1cc(-c2cccs2)on1 ZINC000015833059 556554902 /nfs/dbraw/zinc/55/49/02/556554902.db2.gz QGNTYWJSZIOGRJ-UHFFFAOYSA-N 0 1 448.887 6.286 50 0 IKAAMN CC1CCN([C@@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)c2cccs2)CC1 ZINC000015859990 556558410 /nfs/dbraw/zinc/55/84/10/556558410.db2.gz IUFCJZDRHZTBAO-IBGZPJMESA-N 0 1 429.973 5.260 50 0 IKAAMN O=C(Cc1cccs1)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000015913927 556563446 /nfs/dbraw/zinc/56/34/46/556563446.db2.gz HJSQSAJSUXJUQW-UHFFFAOYSA-N 0 1 441.361 5.037 50 0 IKAAMN CC(C)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Cl)cc4)o2)N3)C1 ZINC000015946385 556567386 /nfs/dbraw/zinc/56/73/86/556567386.db2.gz JACKSZJIJSXWCP-FQEVSTJZSA-N 0 1 427.957 5.857 50 0 IKAAMN C[C@]1(O)CC(=O)[C@H](C(=O)c2ccccc2)[C@@H](c2ccc(Cl)cc2)[C@@H]1C(=O)c1ccccc1 ZINC000226399212 556582521 /nfs/dbraw/zinc/58/25/21/556582521.db2.gz ORXBTMMYPIUXLC-MZLPPYGWSA-N 0 1 446.930 5.146 50 0 IKAAMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000016291041 556597616 /nfs/dbraw/zinc/59/76/16/556597616.db2.gz FTWOADWSWKDVJY-UHFFFAOYSA-N 0 1 445.928 5.102 50 0 IKAAMN Cc1ccc(C(=O)N2CCCCC2)c(C2CCN(Cc3ccccc3C(F)(F)F)CC2)n1 ZINC000037554733 556604792 /nfs/dbraw/zinc/60/47/92/556604792.db2.gz RLGMVQJOJWVLRH-UHFFFAOYSA-N 0 1 445.529 5.415 50 0 IKAAMN Clc1ccccc1COc1ccc2ccccc2c1CNCc1ccc2c(c1)OCO2 ZINC000016525989 556614389 /nfs/dbraw/zinc/61/43/89/556614389.db2.gz DAMFWDJPOJCRKN-UHFFFAOYSA-N 0 1 431.919 6.091 50 0 IKAAMN Clc1ccc(COc2ccc3ccccc3c2CNCc2ccc3c(c2)OCO3)cc1 ZINC000016525983 556614426 /nfs/dbraw/zinc/61/44/26/556614426.db2.gz HCLKBADWQDTYCJ-UHFFFAOYSA-N 0 1 431.919 6.091 50 0 IKAAMN Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000005043260 556626751 /nfs/dbraw/zinc/62/67/51/556626751.db2.gz HUCNIQNWHZLKDT-IIBYNOLFSA-N 0 1 429.992 5.210 50 0 IKAAMN Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NC2CCC(C)CC2)CC1 ZINC000005043237 556626815 /nfs/dbraw/zinc/62/68/15/556626815.db2.gz NVWSHYFENFTLHT-UHFFFAOYSA-N 0 1 429.992 5.210 50 0 IKAAMN Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC[C@H](C(=O)NC2CCCCCC2)C1 ZINC000005044141 556627143 /nfs/dbraw/zinc/62/71/43/556627143.db2.gz YWGHDLAHDZQWFG-IBGZPJMESA-N 0 1 429.992 5.354 50 0 IKAAMN CCc1ccc(-c2nc(CN3CCC(C(=O)NCc4ccc(C)cc4)CC3)c(C)o2)cc1 ZINC000005043545 556627165 /nfs/dbraw/zinc/62/71/65/556627165.db2.gz LGJBEVRWZGCRSB-UHFFFAOYSA-N 0 1 431.580 5.049 50 0 IKAAMN CCc1ccc(-c2nc(CN3CCC[C@@H](C(=O)NC4CCCCCCC4)C3)c(C)o2)cc1 ZINC000005055892 556627592 /nfs/dbraw/zinc/62/75/92/556627592.db2.gz CNRSWHKAKMCBJK-HSZRJFAPSA-N 0 1 437.628 5.654 50 0 IKAAMN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@H](C(=O)NC2CCCCCC2)C1 ZINC000005056189 556628009 /nfs/dbraw/zinc/62/80/09/556628009.db2.gz AFCDIWFPIZGVAJ-IBGZPJMESA-N 0 1 429.992 5.354 50 0 IKAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@@H](c2ccc(F)cc2)N(Cc2cccnc2)C3=O)cc1Cl ZINC000016995696 556652532 /nfs/dbraw/zinc/65/25/32/556652532.db2.gz UIVXJZOCCAWDMJ-HSZRJFAPSA-N 0 1 448.885 5.024 50 0 IKAAMN O=C1C2[C@H](c3ccccc3)N[C@H](c3ccccc3)C1[C@@H](c1ccccc1)N[C@H]2c1ccccc1 ZINC000044544527 556667080 /nfs/dbraw/zinc/66/70/80/556667080.db2.gz ITTQAMYBEGYMAS-FTHDWXFLSA-N 0 1 444.578 5.960 50 0 IKAAMN CC(=O)N(c1nc(CSc2n[nH]c(CC3CCCC3)n2)cs1)c1cccc(Cl)c1 ZINC000011885939 556668767 /nfs/dbraw/zinc/66/87/67/556668767.db2.gz OJGFKYOEEGKLSY-UHFFFAOYSA-N 0 1 448.017 5.624 50 0 IKAAMN CC(=O)N(c1nc(CSc2nc(CC3CCCC3)n[nH]2)cs1)c1cccc(Cl)c1 ZINC000011885939 556668768 /nfs/dbraw/zinc/66/87/68/556668768.db2.gz OJGFKYOEEGKLSY-UHFFFAOYSA-N 0 1 448.017 5.624 50 0 IKAAMN O=C(Nc1c2ccccc2oc1C(=O)c1ccccc1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000011916139 556673094 /nfs/dbraw/zinc/67/30/94/556673094.db2.gz RXGPTKHXDAERIH-UHFFFAOYSA-N 0 1 442.858 6.225 50 0 IKAAMN O=C(Nc1ccnn1C1CCN(Cc2ccc(F)cc2)CC1)Nc1ccccc1Cl ZINC000011951667 556676543 /nfs/dbraw/zinc/67/65/43/556676543.db2.gz KKQUCVNADUKOBY-UHFFFAOYSA-N 0 1 427.911 5.157 50 0 IKAAMN COc1ccc2nc(Sc3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)[nH]c2c1 ZINC000008695025 556719180 /nfs/dbraw/zinc/71/91/80/556719180.db2.gz QSOHSTJPIHRANR-UHFFFAOYSA-N 0 1 433.920 5.885 50 0 IKAAMN Cc1nn2c(nc(C(C)C)cc2N2CCN(Cc3ccccc3)CC2)c1-c1ccccc1 ZINC000054284481 556729717 /nfs/dbraw/zinc/72/97/17/556729717.db2.gz LIZCZLDTJYIXBT-UHFFFAOYSA-N 0 1 425.580 5.150 50 0 IKAAMN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc4nc(C5CCC5)[nH]c4c3)c12 ZINC000058139921 556761038 /nfs/dbraw/zinc/76/10/38/556761038.db2.gz BGIUJKLWWKLMSI-UHFFFAOYSA-N 0 1 436.519 5.340 50 0 IKAAMN Cc1[nH]c(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)nc1Cc1ccccc1 ZINC000058370072 556783429 /nfs/dbraw/zinc/78/34/29/556783429.db2.gz UGFVVFYVCYTMBT-UHFFFAOYSA-N 0 1 431.348 5.958 50 0 IKAAMN Cc1sc(-c2nc(-c3cccc(F)c3)no2)cc1S(=O)(=O)Nc1ccccc1C ZINC000064450523 556824241 /nfs/dbraw/zinc/82/42/41/556824241.db2.gz HDOPWKNIHQFWQQ-UHFFFAOYSA-N 0 1 429.498 5.022 50 0 IKAAMN COC(=O)c1c2c(sc1NC(=O)CSc1nc3ccc(C)cc3[nH]1)CCCCCC2 ZINC000019639006 556836740 /nfs/dbraw/zinc/83/67/40/556836740.db2.gz NVVHQSPLKJIBGE-UHFFFAOYSA-N 0 1 443.594 5.109 50 0 IKAAMN C[C@H](Cc1ccccc1)NC(=O)C[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1O ZINC000096602629 556838351 /nfs/dbraw/zinc/83/83/51/556838351.db2.gz KEKOCMNQHRDKTP-UZLBHIALSA-N 0 1 428.359 5.968 50 0 IKAAMN CCCC[C@@H](CC)CNC(=O)C1CCC(Cn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000004657973 556858414 /nfs/dbraw/zinc/85/84/14/556858414.db2.gz UVFAVWISXXYGFK-LMDPOFIKSA-N 0 1 429.630 5.198 50 0 IKAAMN CC(=O)Nc1ccc(C)cc1S(=O)(=O)Nc1ccccc1-c1ccc2cc(C)ccc2n1 ZINC000033113766 556860612 /nfs/dbraw/zinc/86/06/12/556860612.db2.gz CNZQMBKUHPCVBI-UHFFFAOYSA-N 0 1 445.544 5.278 50 0 IKAAMN CC(C)C[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2[n-]c(-c3ccc(Cl)cc3)cc2n1 ZINC000033126246 556867036 /nfs/dbraw/zinc/86/70/36/556867036.db2.gz GIBOTDIKHBESGA-UHFFFAOYSA-N 0 1 438.934 5.140 50 0 IKAAMN CC(C)C[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2[n-]c(-c3cccc(Cl)c3)cc2n1 ZINC000033126248 556867109 /nfs/dbraw/zinc/86/71/09/556867109.db2.gz HESGRXQGPZZPIZ-UHFFFAOYSA-N 0 1 438.934 5.140 50 0 IKAAMN COc1ccc(CNc2ncc(-c3ccc(C)c(C)c3)n2C)cc1OCc1ccccc1 ZINC000004678996 556873929 /nfs/dbraw/zinc/87/39/29/556873929.db2.gz NBYSXFFVDARNMW-UHFFFAOYSA-N 0 1 427.548 5.904 50 0 IKAAMN Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)Nc1ccc(C)c(Cl)c1 ZINC000033173829 556883845 /nfs/dbraw/zinc/88/38/45/556883845.db2.gz PGHFGQAYLYINTQ-UHFFFAOYSA-N 0 1 435.880 5.228 50 0 IKAAMN Cc1sc(-c2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)Nc1ccc(C)c(Cl)c1 ZINC000033173829 556883852 /nfs/dbraw/zinc/88/38/52/556883852.db2.gz PGHFGQAYLYINTQ-UHFFFAOYSA-N 0 1 435.880 5.228 50 0 IKAAMN Fc1ccc(-c2c[nH]nc2[C@@H]2CCCN(Cc3cc4c(cc3Cl)OCO4)C2)c(F)c1 ZINC000019838968 556929127 /nfs/dbraw/zinc/92/91/27/556929127.db2.gz NSGANBICGBUAJI-CYBMUJFWSA-N 0 1 431.870 5.117 50 0 IKAAMN CCCCCOc1ccc([C@](O)(CC(C)C)[C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000019851224 556930581 /nfs/dbraw/zinc/93/05/81/556930581.db2.gz FVWAVGXBYNLLFE-WUFINQPMSA-N 0 1 439.640 5.605 50 0 IKAAMN CCCCCOc1ccc([C@@](O)(C(C)C)[C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000019851247 556930943 /nfs/dbraw/zinc/93/09/43/556930943.db2.gz NMTSUZDLHHSAJZ-SVBPBHIXSA-N 0 1 425.613 5.215 50 0 IKAAMN CCN(Cc1ccc(Cl)cc1)Cc1cc(=O)n2c(-c3ccc(OC)cc3)csc2n1 ZINC000033268806 556986141 /nfs/dbraw/zinc/98/61/41/556986141.db2.gz CBYAKKQEOXRGQK-UHFFFAOYSA-N 0 1 439.968 5.107 50 0 IKAAMN Cc1nn(-c2ccc(C)c(C)c2)c2c1[C@@H](C(=O)c1ccc(C3CCCCC3)cc1)CC(=O)N2 ZINC000046056854 557028337 /nfs/dbraw/zinc/02/83/37/557028337.db2.gz YZVWHVLHCUFSPR-DEOSSOPVSA-N 0 1 441.575 6.154 50 0 IKAAMN Cc1nn(-c2ccc(F)cc2F)c2c1C(=C(O)c1ccc(C3CCCCC3)cc1)CC(=O)N2 ZINC000046057223 557029070 /nfs/dbraw/zinc/02/90/70/557029070.db2.gz NJIVCPGZTDNDST-FQEVSTJZSA-N 0 1 449.501 5.815 50 0 IKAAMN Cc1nn(-c2ccc(F)cc2F)c2c1C(=C(O)c1ccc(C3CCCCC3)cc1)CC(=O)N2 ZINC000046057226 557029126 /nfs/dbraw/zinc/02/91/26/557029126.db2.gz NJIVCPGZTDNDST-HXUWFJFHSA-N 0 1 449.501 5.815 50 0 IKAAMN Cc1ccc2nc(SCc3noc(CCC(=O)Nc4ccc(Cl)cc4C)n3)[nH]c2c1 ZINC000033270981 557048113 /nfs/dbraw/zinc/04/81/13/557048113.db2.gz DETJMZKHMORZAV-UHFFFAOYSA-N 0 1 441.944 5.080 50 0 IKAAMN O=C(COc1cc(Cl)ccc1Cl)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000023055214 557060796 /nfs/dbraw/zinc/06/07/96/557060796.db2.gz OHRVSKRCOJBXNZ-QFIPXVFZSA-N 0 1 426.303 5.154 50 0 IKAAMN COc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccccc4Cl)c(C)c3)sc2c1 ZINC000033289306 557070866 /nfs/dbraw/zinc/07/08/66/557070866.db2.gz NGMKQCOTFPPKLC-UHFFFAOYSA-N 0 1 444.965 5.735 50 0 IKAAMN Cc1sc(C)c(S(=O)(=O)Nc2c(C)cccc2C)c1-c1cc(C(F)(F)F)on1 ZINC000033299333 557077642 /nfs/dbraw/zinc/07/76/42/557077642.db2.gz IAOLMJDHOFWYDQ-UHFFFAOYSA-N 0 1 430.473 5.456 50 0 IKAAMN Cc1sc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1-c1cc(C(F)(F)F)on1 ZINC000033299360 557077648 /nfs/dbraw/zinc/07/76/48/557077648.db2.gz BMLOFVQJWSBESS-UHFFFAOYSA-N 0 1 430.473 5.456 50 0 IKAAMN Cc1sc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1-c1cc(C(F)(F)F)on1 ZINC000033299325 557077688 /nfs/dbraw/zinc/07/76/88/557077688.db2.gz IVINUDFQUPJBKC-UHFFFAOYSA-N 0 1 436.864 5.493 50 0 IKAAMN O=S(=O)(N[C@H](CNC(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000023634590 557101871 /nfs/dbraw/zinc/10/18/71/557101871.db2.gz YVIDMNAOVNPKEF-AREMUKBSSA-N 0 1 442.584 5.085 50 0 IKAAMN O=C(CSc1nc(C=Cc2ccc(F)cc2)n[nH]1)N(c1ccccc1)C1CCCCC1 ZINC000014897910 557118360 /nfs/dbraw/zinc/11/83/60/557118360.db2.gz XZWVTSUINJSIJP-DTQAZKPQSA-N 0 1 436.556 5.572 50 0 IKAAMN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)c(C)c1 ZINC000017917857 557128716 /nfs/dbraw/zinc/12/87/16/557128716.db2.gz UNPWUJZCWFCHDA-ZLNRFVROSA-N 0 1 432.907 5.008 50 0 IKAAMN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccc4ccccc43)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000017994268 557137441 /nfs/dbraw/zinc/13/74/41/557137441.db2.gz XDVFYFCTFGIXLK-DSNGMDLFSA-N 0 1 438.458 5.030 50 0 IKAAMN [O-][C@]1(C(F)(F)F)C2=C(CC[C@H](c3ccccc3)C2)[NH2+]N1c1nc(-c2ccccc2)cs1 ZINC000016957516 557158861 /nfs/dbraw/zinc/15/88/61/557158861.db2.gz YEJCZMYYHNDOTN-SPEDKVCISA-N 0 1 443.494 5.821 50 0 IKAAMN Clc1cc(CN2CCN(C3c4ccccc4-c4ccccc43)CC2)c2c(c1)COCO2 ZINC000095725779 557160285 /nfs/dbraw/zinc/16/02/85/557160285.db2.gz UAEWNUKFNODNSO-UHFFFAOYSA-N 0 1 432.951 5.094 50 0 IKAAMN Fc1ccc(OC2=CCN(C[C@H]3COC(c4ccccc4)(c4ccccc4)O3)CC2)cc1 ZINC000095918258 557161577 /nfs/dbraw/zinc/16/15/77/557161577.db2.gz FYZQRYJEDDUFJB-SANMLTNESA-N 0 1 431.507 5.111 50 0 IKAAMN C[C@@H](NCC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)c1cccs1 ZINC000024751725 557162658 /nfs/dbraw/zinc/16/26/58/557162658.db2.gz ZPMRYJQTAZCQIX-CQSZACIVSA-N 0 1 447.482 5.309 50 0 IKAAMN Cc1ccccc1-c1n[nH]c(SCC(=O)Nc2ccc(Br)cc2C(C)C)n1 ZINC000009095855 557181737 /nfs/dbraw/zinc/18/17/37/557181737.db2.gz SERYQUBMCHIPLA-UHFFFAOYSA-N 0 1 445.386 5.397 50 0 IKAAMN Cc1oc(-c2cccs2)nc1CC(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000025038171 557189884 /nfs/dbraw/zinc/18/98/84/557189884.db2.gz HPTSNICHLTWGRU-HSZRJFAPSA-N 0 1 428.517 5.036 50 0 IKAAMN Cc1ccc(-c2nc(CC(=O)N[C@@H](c3ccccc3)c3ccc4nc[nH]c4c3)cs2)cc1 ZINC000025035550 557190050 /nfs/dbraw/zinc/19/00/50/557190050.db2.gz OFVQQFXMJHPDSY-VWLOTQADSA-N 0 1 438.556 5.443 50 0 IKAAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccc(F)c1 ZINC000100967676 557208836 /nfs/dbraw/zinc/20/88/36/557208836.db2.gz FOGUVKOKUQBLPP-CCLHPLFOSA-N 0 1 426.491 6.396 50 0 IKAAMN COc1cccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(C)=O)c1 ZINC000100971934 557208840 /nfs/dbraw/zinc/20/88/40/557208840.db2.gz IAEIIBHELACHGY-RBTNQOKQSA-N 0 1 438.527 6.265 50 0 IKAAMN COc1cc(C(=O)NC[C@@H](c2cccs2)N(C)C)ccc1OCc1ccccc1Cl ZINC000025573135 557215407 /nfs/dbraw/zinc/21/54/07/557215407.db2.gz ICGZIGYWMGKWBQ-IBGZPJMESA-N 0 1 444.984 5.022 50 0 IKAAMN CCCCN(CCCC)CN1C(=O)S/C(=C\c2cccc(Br)c2)C1=O ZINC000027471669 557262529 /nfs/dbraw/zinc/26/25/29/557262529.db2.gz YRNFJXBKRPJEDW-LGMDPLHJSA-N 0 1 425.392 5.345 50 0 IKAAMN O=C(Nc1c2ccccc2oc1C(=O)c1ccc(Cl)cc1)c1cc(-c2ccccc2)on1 ZINC000027580166 557266534 /nfs/dbraw/zinc/26/65/34/557266534.db2.gz XQKJTHNQJWSHOY-UHFFFAOYSA-N 0 1 442.858 6.225 50 0 IKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc(F)c1 ZINC000101373526 557276489 /nfs/dbraw/zinc/27/64/89/557276489.db2.gz DBAXYIIMUYORRC-PIIWDFAUSA-N 0 1 440.518 6.786 50 0 IKAAMN Cc1ccc(-n2nc3c4cc(C(=O)Nc5ccc(F)c(C)c5)ccc4[nH]cc-3c2=O)cc1C ZINC000101827880 557299758 /nfs/dbraw/zinc/29/97/58/557299758.db2.gz KWEOPXKGNVEPSW-UHFFFAOYSA-N 0 1 440.478 5.135 50 0 IKAAMN Cc1ccc(NC(=O)c2ccc3[nH]cc4c(=O)n(-c5ccc(F)cc5)nc-4c3c2)cc1Cl ZINC000101828806 557300387 /nfs/dbraw/zinc/30/03/87/557300387.db2.gz MGHJWGZKICTLTP-UHFFFAOYSA-N 0 1 446.869 5.172 50 0 IKAAMN O=C(NCCCCc1ccccc1)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000023430418 557355228 /nfs/dbraw/zinc/35/52/28/557355228.db2.gz IZSNXYHOMVLILW-UHFFFAOYSA-N 0 1 429.951 6.150 50 0 IKAAMN Cc1ccccc1CNC(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1 ZINC000023450881 557356810 /nfs/dbraw/zinc/35/68/10/557356810.db2.gz ABSMNJTXBOEJQZ-UHFFFAOYSA-N 0 1 435.449 6.001 50 0 IKAAMN Cc1cccc(CNC(=O)c2ccc(-c3cc(-c4cccc(C(F)(F)F)c4)[nH]n3)cc2)c1 ZINC000023450406 557356872 /nfs/dbraw/zinc/35/68/72/557356872.db2.gz HIRPIDUSANLTFE-UHFFFAOYSA-N 0 1 435.449 6.001 50 0 IKAAMN COc1cccc(-c2cc(-c3ccc(C(=O)NCCCN(C)c4ccccc4)cc3)[nH]n2)c1 ZINC000023441087 557357919 /nfs/dbraw/zinc/35/79/19/557357919.db2.gz RTBNZUWLHYSXOZ-UHFFFAOYSA-N 0 1 440.547 5.009 50 0 biogenic IKAAMN COc1cccc(-c2cc(-c3ccc(C(=O)NCCc4cccc(Cl)c4)cc3)[nH]n2)c1 ZINC000023442032 557358277 /nfs/dbraw/zinc/35/82/77/557358277.db2.gz KMBGWJVXEBLKRZ-UHFFFAOYSA-N 0 1 431.923 5.378 50 0 biogenic IKAAMN Cc1ccc(CNC(=O)c2ccc(-c3cc(-c4cccc(C(F)(F)F)c4)[nH]n3)cc2)o1 ZINC000023444598 557358552 /nfs/dbraw/zinc/35/85/52/557358552.db2.gz UQCDKHICZAEJAC-UHFFFAOYSA-N 0 1 425.410 5.594 50 0 IKAAMN CCOc1ccccc1CNC(=O)c1ccc(-c2cc(-c3cccc(OC)c3)n[nH]2)cc1 ZINC000023446278 557358821 /nfs/dbraw/zinc/35/88/21/557358821.db2.gz UREOBAKQGQKKJN-UHFFFAOYSA-N 0 1 427.504 5.081 50 0 biogenic IKAAMN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@]2(c2ccccc2)C(=O)N1c1ccccc1 ZINC000102704707 557366054 /nfs/dbraw/zinc/36/60/54/557366054.db2.gz FWDPHRPQKVGFJL-ALTZYDRJSA-N 0 1 446.506 5.060 50 0 IKAAMN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@]2(c2ccccc2)C(=O)N1c1ccccc1 ZINC000102704707 557366056 /nfs/dbraw/zinc/36/60/56/557366056.db2.gz FWDPHRPQKVGFJL-ALTZYDRJSA-N 0 1 446.506 5.060 50 0 IKAAMN CCCOc1cccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CC)c1 ZINC000102873813 557396214 /nfs/dbraw/zinc/39/62/14/557396214.db2.gz UVHLZDGLNSPZSM-AREMUKBSSA-N 0 1 432.564 6.678 50 0 IKAAMN COc1ccccc1Nc1c2cc(NC(=O)Cc3cccs3)ccc2nc2c1CCCC2 ZINC000100290045 557398311 /nfs/dbraw/zinc/39/83/11/557398311.db2.gz BNABKONQPGJEKA-UHFFFAOYSA-N 0 1 443.572 6.109 50 0 IKAAMN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)cc3)CC(=O)C2[C@@H]1c1ccco1 ZINC000100429432 557402458 /nfs/dbraw/zinc/40/24/58/557402458.db2.gz CLGJGVPRZABLNA-CLYVBNDRSA-N 0 1 442.515 6.248 50 0 IKAAMN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)cc3)CC(=O)C2[C@H]1c1ccco1 ZINC000100429437 557402681 /nfs/dbraw/zinc/40/26/81/557402681.db2.gz CLGJGVPRZABLNA-DNOBIOAJSA-N 0 1 442.515 6.248 50 0 IKAAMN CCNC(=S)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(OC)cc1 ZINC000103524820 557438406 /nfs/dbraw/zinc/43/84/06/557438406.db2.gz LWNNTGLJJKCIJE-QHCPKHFHSA-N 0 1 435.593 5.856 50 0 IKAAMN COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CC(C)C)cc1 ZINC000104153594 557451256 /nfs/dbraw/zinc/45/12/56/557451256.db2.gz YJVOYPLHJOXXDS-AREMUKBSSA-N 0 1 432.564 6.534 50 0 IKAAMN Cc1ccccc1N[P@@](=O)(/C=C(/Cl)c1ccccc1)/C=C(\Cl)c1ccccc1 ZINC000018188059 557496000 /nfs/dbraw/zinc/49/60/00/557496000.db2.gz ZXCSHVYQIKZAQV-ICZBVKINSA-N 0 1 428.299 8.160 50 0 IKAAMN Cc1cc2nc(N(CCN(C)C)C(=O)c3cc(Cl)sc3Cl)sc2c(C)c1 ZINC000012140827 557528245 /nfs/dbraw/zinc/52/82/45/557528245.db2.gz UQMCSMWWZQEARQ-UHFFFAOYSA-N 0 1 428.410 5.490 50 0 IKAAMN O=C(Nc1ccccc1C(=O)c1ccccc1)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000044837341 557538855 /nfs/dbraw/zinc/53/88/55/557538855.db2.gz GUFAFSORGXXAQB-UHFFFAOYSA-N 0 1 446.304 5.323 50 0 IKAAMN Cc1cc(Br)ccc1NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000044837505 557538920 /nfs/dbraw/zinc/53/89/20/557538920.db2.gz CSFZBQOQKSBQNY-UHFFFAOYSA-N 0 1 435.119 5.162 50 0 IKAAMN CCc1ccc(-c2cc(C(=O)Nc3ccc(CCc4nc5ccccc5n4C)cc3)[nH]n2)cc1 ZINC000045901813 557546735 /nfs/dbraw/zinc/54/67/35/557546735.db2.gz CBRMEAXWIDQXOG-UHFFFAOYSA-N 0 1 449.558 5.563 50 0 IKAAMN CN(C)[C@H](CNC(=O)[C@@](C)(Cc1nc2ccccc2s1)c1ccccc1)c1ccsc1 ZINC000040071013 557684316 /nfs/dbraw/zinc/68/43/16/557684316.db2.gz WBWQUMDJBIJFSS-BWKNWUBXSA-N 0 1 449.645 5.277 50 0 IKAAMN Cc1cc(O)c(C2=Nc3ccccc3S[C@H](c3cccc(Br)c3)C2)c(=O)o1 ZINC000000875049 557848182 /nfs/dbraw/zinc/84/81/82/557848182.db2.gz ALOQHKGXKJHYEQ-IBGZPJMESA-N 0 1 442.334 5.774 50 0 IKAAMN COc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2Cc2ccccc2Cl)cc(OC)c1OC ZINC000002330753 560186798 /nfs/dbraw/zinc/18/67/98/560186798.db2.gz FHCDSSAQYVTDRX-DNVKUUNQSA-N 0 1 445.987 5.234 50 0 biogenic,in-vitro IKAAMN CCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000008606567 562956984 /nfs/dbraw/zinc/95/69/84/562956984.db2.gz REEOCKKOJRYJIB-AREMUKBSSA-N 0 1 439.515 5.317 50 0 aggregator IKAAMN CC(C)c1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCc2ccccc2)cc1 ZINC000008606551 562957014 /nfs/dbraw/zinc/95/70/14/562957014.db2.gz FMQMWWPLMSZSDC-HHHXNRCGSA-N 0 1 437.543 5.694 50 0 IKAAMN COc1ccc([C@@H](CNC(=O)c2oc3cc(C)c(Cl)cc3c2C)N2CCCCC2)cc1 ZINC000008613379 562959411 /nfs/dbraw/zinc/95/94/11/562959411.db2.gz XQQHRBRVBRMJES-JOCHJYFZSA-N 0 1 440.971 5.669 50 0 IKAAMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccc(C)c3)ccc2Cl)cc1 ZINC000008685527 562962519 /nfs/dbraw/zinc/96/25/19/562962519.db2.gz RDEHRQRFPZWBGU-UHFFFAOYSA-N 0 1 444.940 5.100 50 0 IKAAMN CCOc1cccc2sc(N(CCN(C)C)C(=O)c3cc4ccccc4cc3OC)nc21 ZINC000009603963 562974047 /nfs/dbraw/zinc/97/40/47/562974047.db2.gz DSDAMEGZKXSORM-UHFFFAOYSA-N 0 1 449.576 5.065 50 0 IKAAMN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nc(-c2ccccc2Br)n[nH]1 ZINC000009780853 562976837 /nfs/dbraw/zinc/97/68/37/562976837.db2.gz HQXPVWPUQLVRMT-GFCCVEGCSA-N 0 1 441.354 5.387 50 0 IKAAMN CC(C)N1CCc2c(sc(NC(=O)C3CCCCC3)c2-c2nc3ccccc3s2)C1 ZINC000017113384 563021358 /nfs/dbraw/zinc/02/13/58/563021358.db2.gz CSWIFIAYQBCLTD-UHFFFAOYSA-N 0 1 439.650 6.310 50 0 IKAAMN O[C@H](CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1)c1ccccc1 ZINC000104982982 568623873 /nfs/dbraw/zinc/62/38/73/568623873.db2.gz IFAYMVSPTMFJPH-PXDATVDWSA-N 0 1 438.930 5.208 50 0 IKAAMN C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000013100900 568624789 /nfs/dbraw/zinc/62/47/89/568624789.db2.gz YVMWNDCPJMVOFO-VQTJNVASSA-N 0 1 448.636 5.493 50 0 IKAAMN CC(C)n1c(CN2CCCC2)nc2cc(NC(=O)c3cccc(Br)c3)ccc21 ZINC000086048540 568635297 /nfs/dbraw/zinc/63/52/97/568635297.db2.gz MSNCOVKSZMXDMT-UHFFFAOYSA-N 0 1 441.373 5.228 50 0 IKAAMN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000025148345 568641375 /nfs/dbraw/zinc/64/13/75/568641375.db2.gz CNTBWDCNQKCOJP-NRFANRHFSA-N 0 1 445.566 6.648 50 0 IKAAMN COc1ccc(CCNC(=O)c2ccc(-c3cc(-c4cccc5ccccc54)n[nH]3)cc2)cc1 ZINC000025149413 568642784 /nfs/dbraw/zinc/64/27/84/568642784.db2.gz QKXYMHIHPCGXIM-UHFFFAOYSA-N 0 1 447.538 5.878 50 0 biogenic IKAAMN COc1cccc(CNC(=O)c2ccc(-c3cc(-c4cccc5ccccc54)n[nH]3)cc2)c1 ZINC000025148886 568642811 /nfs/dbraw/zinc/64/28/11/568642811.db2.gz SOKOXJMWSIYOGJ-UHFFFAOYSA-N 0 1 433.511 5.836 50 0 IKAAMN O=C(NCc1cc(F)cc(F)c1)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000025150471 568643390 /nfs/dbraw/zinc/64/33/90/568643390.db2.gz MFOLBIBUINEAHS-UHFFFAOYSA-N 0 1 439.465 6.105 50 0 IKAAMN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000025153417 568643584 /nfs/dbraw/zinc/64/35/84/568643584.db2.gz LAPPIAUDBBASNS-HHHXNRCGSA-N 0 1 443.550 6.704 50 0 IKAAMN O=C(NCc1ccc2c(c1)OCO2)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000025153101 568643597 /nfs/dbraw/zinc/64/35/97/568643597.db2.gz UYELNONNNRMSRD-UHFFFAOYSA-N 0 1 447.494 5.556 50 0 IKAAMN O=S(=O)(Nc1cc2c3c(oc2c2ccccc12)CCCC3)c1cccc2ccccc21 ZINC000000950310 568645096 /nfs/dbraw/zinc/64/50/96/568645096.db2.gz SPEXGQOFKMQKGM-UHFFFAOYSA-N 0 1 427.525 6.419 50 0 IKAAMN COC(=O)Nc1nc2cc(Cl)c(Oc3ccc(Br)c4ccccc34)cc2[nH]1 ZINC000000974696 568647658 /nfs/dbraw/zinc/64/76/58/568647658.db2.gz OXDJRMXPZCLYRN-UHFFFAOYSA-N 0 1 446.688 6.103 50 0 IKAAMN CN(C)[C@@H](CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccsc1 ZINC000025331855 568652530 /nfs/dbraw/zinc/65/25/30/568652530.db2.gz WIINEMIKPFWHQB-KRWDZBQOSA-N 0 1 438.380 5.062 50 0 IKAAMN COc1cc(CN[C@@H](C)c2ccccn2)cc(Br)c1OCc1ccccc1 ZINC000025358887 568654548 /nfs/dbraw/zinc/65/45/48/568654548.db2.gz DESOZMNQRVQKIS-INIZCTEOSA-N 0 1 427.342 5.283 50 0 IKAAMN COc1ccc(-c2coc3cc(OCc4ccc(Cl)cc4)cc(O)c3c2=O)cc1OC ZINC000001317802 568779470 /nfs/dbraw/zinc/77/94/70/568779470.db2.gz LHCWCFLQWDNOEY-UHFFFAOYSA-N 0 1 438.863 5.415 50 0 biogenic IKAAMN CCCCC1C(C)=NN(c2nc(C)c(C(=O)Nc3ccc(Br)cc3)s2)C1=O ZINC000015671484 568802875 /nfs/dbraw/zinc/80/28/75/568802875.db2.gz VNLGBWKYDGWFKO-UHFFFAOYSA-N 0 1 449.374 5.009 50 0 IKAAMN Cc1ccc2ccc3cc(C(=O)NCC4CCN(Cc5ccc(Cl)cc5)CC4)[nH]c3c2n1 ZINC000085577784 568825381 /nfs/dbraw/zinc/82/53/81/568825381.db2.gz UZUBCEJYHFHTMT-UHFFFAOYSA-N 0 1 446.982 5.320 50 0 IKAAMN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000006146961 568846241 /nfs/dbraw/zinc/84/62/41/568846241.db2.gz JVGYLJAWYIPVEX-UHFFFAOYSA-N 0 1 439.295 5.186 50 0 IKAAMN Cc1nc(N2N=C(C)C(Cc3ccc(C)cc3)C2=O)sc1C(=O)Nc1cccc(C)c1C ZINC000015858750 568846766 /nfs/dbraw/zinc/84/67/66/568846766.db2.gz WHZSMPPTMPXTLY-UHFFFAOYSA-N 0 1 446.576 5.420 50 0 IKAAMN CC1CCN([C@H](c2oc3ccccc3c2NC(=O)c2ccco2)c2ccc(Cl)cc2)CC1 ZINC000015859319 568847141 /nfs/dbraw/zinc/84/71/41/568847141.db2.gz INXIJBRRFHFNJU-DEOSSOPVSA-N 0 1 448.950 6.753 50 0 IKAAMN CC1CCN([C@@H](c2oc3ccccc3c2NC(=O)c2ccco2)c2cccc(F)c2)CC1 ZINC000015859328 568847166 /nfs/dbraw/zinc/84/71/66/568847166.db2.gz JGPZBCXLXNRZFS-XMMPIXPASA-N 0 1 432.495 6.239 50 0 IKAAMN O=C(Nc1c2ccccc2oc1[C@@H](c1ccc(Cl)cc1)N1CCCC1)c1ccccc1 ZINC000015859491 568847348 /nfs/dbraw/zinc/84/73/48/568847348.db2.gz NAIWYLGBMHAMDG-XMMPIXPASA-N 0 1 430.935 6.524 50 0 IKAAMN O=C(Nc1c2ccccc2oc1[C@H](c1cccc(F)c1)N1CCCCC1)c1ccccc1 ZINC000015859516 568847545 /nfs/dbraw/zinc/84/75/45/568847545.db2.gz VAKHTOLRSHKXMH-VWLOTQADSA-N 0 1 428.507 6.400 50 0 IKAAMN COc1ccc([C@H](c2oc3ccccc3c2NC(=O)c2cccs2)N2CCCCC2)cc1 ZINC000015859371 568847624 /nfs/dbraw/zinc/84/76/24/568847624.db2.gz DXEYQJCLZVCLMG-XMMPIXPASA-N 0 1 446.572 6.331 50 0 IKAAMN Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@@H](c2cccc(F)c2)N2CCCCC2)cc1 ZINC000015859592 568847840 /nfs/dbraw/zinc/84/78/40/568847840.db2.gz ZBPYMXNIVOFYBG-AREMUKBSSA-N 0 1 442.534 6.708 50 0 IKAAMN COc1ccc(CN(Cc2ccccc2)Cc2cc(=O)c3cc(Cl)ccc3[nH]2)cc1OC ZINC000015862346 568848624 /nfs/dbraw/zinc/84/86/24/568848624.db2.gz UPBXHMBZBWLRKI-UHFFFAOYSA-N 0 1 448.950 5.401 50 0 IKAAMN O=C(Nc1ccc2nc(CCc3ccccc3)[nH]c2c1)c1n[nH]c2c1CCc1ccccc1-2 ZINC000015863887 568849462 /nfs/dbraw/zinc/84/94/62/568849462.db2.gz LXJHYJOISQZAAR-UHFFFAOYSA-N 0 1 433.515 5.089 50 0 IKAAMN CCc1c(C)sc2c1CCN(CC(=O)N1CCCc3ccccc31)[C@H]2c1ccccc1 ZINC000015864854 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/nfs/dbraw/zinc/55/91/84/569559184.db2.gz XXXROJADDZYWEW-UHFFFAOYSA-N 0 1 445.544 5.492 50 0 IKAAMN COc1ccc(-c2[nH]c(-c3ccccc3)nc2SCC(=O)Nc2ccc(F)cc2)cc1 ZINC000009674239 569559194 /nfs/dbraw/zinc/55/91/94/569559194.db2.gz PVIDBSPMRGCZFK-UHFFFAOYSA-N 0 1 433.508 5.622 50 0 IKAAMN CCOc1ccc2nc(N(CCN(C)C)C(=O)c3cccc(SCC)c3)sc2c1 ZINC000009707935 569561820 /nfs/dbraw/zinc/56/18/20/569561820.db2.gz HYEQXSJQUXFWKB-UHFFFAOYSA-N 0 1 429.611 5.015 50 0 IKAAMN COc1cc(CNc2ncc(-c3cccc(Cl)c3)n2C)ccc1OCc1ccccc1 ZINC000009763715 569566675 /nfs/dbraw/zinc/56/66/75/569566675.db2.gz YUNJQASOUXUJAD-UHFFFAOYSA-N 0 1 433.939 5.940 50 0 IKAAMN CCOc1ccc(N(C(=O)C2COc3ccccc3O2)c2nc3ccccc3s2)cc1 ZINC000009790537 569568158 /nfs/dbraw/zinc/56/81/58/569568158.db2.gz JGKMBUHRLLGZNG-OAQYLSRUSA-N 0 1 432.501 5.200 50 0 IKAAMN CCCCn1c(-c2ccc(OCC)cc2)cnc1NCc1c(F)cccc1Br ZINC000009846063 569570944 /nfs/dbraw/zinc/57/09/44/569570944.db2.gz BWJSWJGBUOSBBU-UHFFFAOYSA-N 0 1 446.364 6.263 50 0 IKAAMN CCCn1c(CN2CCCCCC2)nc2cc(NC(=O)COc3cccc(C)c3)ccc21 ZINC000009942481 569574022 /nfs/dbraw/zinc/57/40/22/569574022.db2.gz RCGMPKGXHDQITJ-UHFFFAOYSA-N 0 1 434.584 5.148 50 0 IKAAMN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3c(c2)nc(CN2CCCCCC2)n3C)c1 ZINC000009942356 569574041 /nfs/dbraw/zinc/57/40/41/569574041.db2.gz RTSKICFJHJSSDW-UHFFFAOYSA-N 0 1 448.611 5.399 50 0 IKAAMN Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3Br)n[nH]2)c(C)c1 ZINC000009949008 569574210 /nfs/dbraw/zinc/57/42/10/569574210.db2.gz BVMAVDHNFJXWPV-CQSZACIVSA-N 0 1 445.386 5.279 50 0 IKAAMN