smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(CO)CCCNC(=O)COc1ccc(I)cc1 ZINC000160357944 551579029 /nfs/dbraw/zinc/57/90/29/551579029.db2.gz QNRIQWALRSSHPA-UHFFFAOYSA-N 0 0 391.249 2.585 20 70 GFIDRN CC(C)C(=O)NCCCNC(=O)Nc1cccc(I)c1 ZINC000159431440 551565441 /nfs/dbraw/zinc/56/54/41/551565441.db2.gz JTHJYDJBGMMPHO-UHFFFAOYSA-N 0 0 389.237 2.575 20 70 GFIDRN COc1cc(S(=O)(=O)NC[C@H](O)C2CCCCC2)ccc1Br ZINC000159548893 551566739 /nfs/dbraw/zinc/56/67/39/551566739.db2.gz SMYNFGXOGCUAIO-AWEZNQCLSA-N 0 0 392.315 2.677 20 70 GFIDRN COc1cccnc1N(C)S(=O)(=O)c1cc(Br)ccc1F ZINC000159551248 551566848 /nfs/dbraw/zinc/56/68/48/551566848.db2.gz GYXGEDQEKKMNMS-UHFFFAOYSA-N 0 0 375.219 2.817 20 70 GFIDRN COc1ccc(Br)c(CC(=O)N[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000159579955 551567481 /nfs/dbraw/zinc/56/74/81/551567481.db2.gz PAAXHZMKFZDUEZ-LLVKDONJSA-N 0 0 395.219 2.753 20 70 GFIDRN COc1ccc(Br)cc1S(=O)(=O)N(C)CCc1nccs1 ZINC000159615900 551567950 /nfs/dbraw/zinc/56/79/50/551567950.db2.gz PTZGQQVXKCKSAN-UHFFFAOYSA-N 0 0 391.312 2.777 20 70 GFIDRN CC(=O)Nc1cc(F)c(S(=O)(=O)N(C)Cc2ccc(O)cc2)cc1Cl ZINC000159621125 551567995 /nfs/dbraw/zinc/56/79/95/551567995.db2.gz SXKRYRKXLWXFOP-UHFFFAOYSA-N 0 0 386.832 2.964 20 70 GFIDRN CN(CCc1nccs1)S(=O)(=O)c1cc(Br)ccc1F ZINC000159641824 551568491 /nfs/dbraw/zinc/56/84/91/551568491.db2.gz SOSKJEWSSPHXDV-UHFFFAOYSA-N 0 0 379.276 2.908 20 70 GFIDRN CN(C)c1ccc(Br)c(S(=O)(=O)N(C)c2nccs2)c1 ZINC000159623625 551568666 /nfs/dbraw/zinc/56/86/66/551568666.db2.gz JCLJAUODJLIJOS-UHFFFAOYSA-N 0 0 376.301 2.797 20 70 GFIDRN CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cccs1 ZINC000159677101 551569210 /nfs/dbraw/zinc/56/92/10/551569210.db2.gz YRFBUEBYOODQQP-LBPRGKRZSA-N 0 0 395.424 2.827 20 70 GFIDRN CSCCCCC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000159710579 551569817 /nfs/dbraw/zinc/56/98/17/551569817.db2.gz GIVXBGKWCKVSNV-UHFFFAOYSA-N 0 0 388.530 2.628 20 70 GFIDRN CCCC(=O)NCC(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@H]1C ZINC000159826682 551571522 /nfs/dbraw/zinc/57/15/22/551571522.db2.gz AGZHVONARZPWOV-SJKOYZFVSA-N 0 0 383.286 2.654 20 70 GFIDRN COC[C@H](O)CCNC(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000159808824 551571613 /nfs/dbraw/zinc/57/16/13/551571613.db2.gz NHEWXFVMDZBEPG-LLVKDONJSA-N 0 0 387.267 2.757 20 70 GFIDRN C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)C[C@H]1COC(=O)C1 ZINC000159863835 551571944 /nfs/dbraw/zinc/57/19/44/551571944.db2.gz FIRJLOOLVWLCFN-PSTGCABASA-N 0 0 382.254 2.691 20 70 GFIDRN NS(=O)(=O)c1cccc(CNC(=O)c2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC000159993051 551574412 /nfs/dbraw/zinc/57/44/12/551574412.db2.gz IQBLXHNNRCAMSY-UHFFFAOYSA-N 0 0 392.786 2.936 20 70 GFIDRN Cc1nc(NC(=O)CN(C)C(=O)c2ccc(Br)o2)cc(C2CC2)n1 ZINC000160051647 551574839 /nfs/dbraw/zinc/57/48/39/551574839.db2.gz KTMLLSXETVFHPM-UHFFFAOYSA-N 0 0 393.241 2.729 20 70 GFIDRN CCOC(=O)C[C@@H](C)NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000160100785 551575426 /nfs/dbraw/zinc/57/54/26/551575426.db2.gz TYJLXLVBBLHNNT-PWSUYJOCSA-N 0 0 387.263 2.804 20 70 GFIDRN Cc1cc(F)ccc1NC(=O)C(=O)N(C)Cc1cc(Br)cn1C ZINC000160115712 551576039 /nfs/dbraw/zinc/57/60/39/551576039.db2.gz NXPSREMDRYQURR-UHFFFAOYSA-N 0 0 382.233 2.832 20 70 GFIDRN CC1(C)CN(C(=O)CCc2ccc(OC(F)(F)F)cc2)CCS1(=O)=O ZINC000160189687 551576909 /nfs/dbraw/zinc/57/69/09/551576909.db2.gz CVCKREIEWJKRQP-UHFFFAOYSA-N 0 0 379.400 2.553 20 70 GFIDRN Cc1ccc(CN(Cc2ccco2)C(=O)NC[C@@H]2CCCS2(=O)=O)s1 ZINC000160227630 551577330 /nfs/dbraw/zinc/57/73/30/551577330.db2.gz ONBZQMMKVSTTHE-INIZCTEOSA-N 0 0 382.507 2.939 20 70 GFIDRN Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000160255077 551577614 /nfs/dbraw/zinc/57/76/14/551577614.db2.gz LFJVJKQXBKJXPQ-KGLIPLIRSA-N 0 0 387.933 2.599 20 70 GFIDRN C[C@@H](CCCO)NC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000160234378 551577721 /nfs/dbraw/zinc/57/77/21/551577721.db2.gz GIEPFZBOSAKRDY-LBPRGKRZSA-N 0 0 381.274 2.976 20 70 GFIDRN CCn1cc(NC(=O)c2cc(S(C)(=O)=O)cc(Br)c2C)cn1 ZINC000160280124 551578236 /nfs/dbraw/zinc/57/82/36/551578236.db2.gz WHJMIFUOJUFZPQ-UHFFFAOYSA-N 0 0 386.271 2.630 20 70 GFIDRN COCCCS(=O)(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000160301498 551578794 /nfs/dbraw/zinc/57/87/94/551578794.db2.gz KTPFEWMHEFTGAG-UHFFFAOYSA-N 0 0 385.873 2.721 20 70 GFIDRN CCN(C(=O)CCc1nc([C@H](C)OC)no1)c1ccc(Br)cn1 ZINC000160319520 551578799 /nfs/dbraw/zinc/57/87/99/551578799.db2.gz SRLJGAZRECXGRP-JTQLQIEISA-N 0 0 383.246 2.920 20 70 GFIDRN CC[C@](C)(O)CNS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000160330300 551578937 /nfs/dbraw/zinc/57/89/37/551578937.db2.gz MGTXQNGHGJOOEJ-AWEZNQCLSA-N 0 0 387.395 2.543 20 70 GFIDRN CC(C)Oc1ccc(Cl)cc1C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000160364189 551579218 /nfs/dbraw/zinc/57/92/18/551579218.db2.gz RBEZOILVGMZFNI-SWLSCSKDSA-N 0 0 388.917 2.575 20 70 GFIDRN NS(=O)(=O)c1cccc2c(C(=O)Nc3ccc(Cl)cc3F)nccc21 ZINC000160369516 551579421 /nfs/dbraw/zinc/57/94/21/551579421.db2.gz LXMYYJKGKBQZHM-UHFFFAOYSA-N 0 0 379.800 2.927 20 70 GFIDRN COC(=O)C[C@@H](NS(=O)(=O)Cc1c(F)cccc1F)c1cccs1 ZINC000160380869 551579825 /nfs/dbraw/zinc/57/98/25/551579825.db2.gz RQNXLSYYVLUESW-CYBMUJFWSA-N 0 0 375.418 2.750 20 70 GFIDRN O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1cc(Br)c[nH]1 ZINC000160410240 551580057 /nfs/dbraw/zinc/58/00/57/551580057.db2.gz FKBWFWMHDNMAIE-INIZCTEOSA-N 0 0 390.281 2.741 20 70 GFIDRN CC(=O)N(C)C1CCN(C(=O)CCc2cc(Br)ccc2F)CC1 ZINC000160430839 551580513 /nfs/dbraw/zinc/58/05/13/551580513.db2.gz WVMMMCFYOJKAOD-UHFFFAOYSA-N 0 0 385.277 2.990 20 70 GFIDRN CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)C1(c2cccc(Cl)c2)CCC1 ZINC000160530921 551581529 /nfs/dbraw/zinc/58/15/29/551581529.db2.gz FMOQIRYTFUPAEU-CZUORRHYSA-N 0 0 384.929 2.596 20 70 GFIDRN Cc1cc(Br)cc2cc(C(=O)NC[C@H]3CCCS3(=O)=O)oc21 ZINC000160520964 551581698 /nfs/dbraw/zinc/58/16/98/551581698.db2.gz XDJJCYZSELYPBS-GFCCVEGCSA-N 0 0 386.267 2.811 20 70 GFIDRN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCCNS(=O)(=O)c1ccc(C)cc1 ZINC000160530526 551581733 /nfs/dbraw/zinc/58/17/33/551581733.db2.gz RZCGOTBEOGSMDA-CVEARBPZSA-N 0 0 378.519 2.563 20 70 GFIDRN CS[C@@H](CO)[C@@H](C)NC(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 ZINC000160610549 551583153 /nfs/dbraw/zinc/58/31/53/551583153.db2.gz OUIQXURTVSIUFJ-YGRLFVJLSA-N 0 0 386.880 2.958 20 70 GFIDRN CN(Cc1cccn1C)C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000160619050 551583441 /nfs/dbraw/zinc/58/34/41/551583441.db2.gz YPWWJTCKQOLSCM-CYBMUJFWSA-N 0 0 390.281 2.799 20 70 GFIDRN O=C(Cc1ccc(Br)cc1)N1CCOC[C@H]1[C@H]1CCCCC1=O ZINC000160647455 551583968 /nfs/dbraw/zinc/58/39/68/551583968.db2.gz CCIOKXAFBNEAOL-CVEARBPZSA-N 0 0 380.282 2.978 20 70 GFIDRN O=C(Nc1cccc(F)n1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000160681058 551584094 /nfs/dbraw/zinc/58/40/94/551584094.db2.gz GWZWUZYCMDEDBB-UHFFFAOYSA-N 0 0 383.832 2.911 20 70 GFIDRN CCOC(=O)NCCCC(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000160701160 551584101 /nfs/dbraw/zinc/58/41/01/551584101.db2.gz ILIBLRMBFFQHJU-ZDUSSCGKSA-N 0 0 385.258 2.915 20 70 GFIDRN C[C@@H]1CN(c2ccc(C(=O)Nc3cccc(Cl)c3)cn2)CCS1(=O)=O ZINC000160729079 551584872 /nfs/dbraw/zinc/58/48/72/551584872.db2.gz LFMYXGXRNKKZEQ-GFCCVEGCSA-N 0 0 379.869 2.611 20 70 GFIDRN O=S(=O)(c1ccccc1)N(CCO)Cc1cc(Br)ccc1F ZINC000160732941 551585053 /nfs/dbraw/zinc/58/50/53/551585053.db2.gz LDISEAPCPZXMMU-UHFFFAOYSA-N 0 0 388.258 2.771 20 70 GFIDRN O=S(=O)(c1c(Cl)cc(F)cc1Br)N1CCC(CO)CC1 ZINC000160774865 551585160 /nfs/dbraw/zinc/58/51/60/551585160.db2.gz LURGOPBVDJKTBG-UHFFFAOYSA-N 0 0 386.670 2.635 20 70 GFIDRN CCCCN(Cc1cc(O)ccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000160784816 551585498 /nfs/dbraw/zinc/58/54/98/551585498.db2.gz QQARPPGLZOQJOL-ZDUSSCGKSA-N 0 0 376.316 2.944 20 70 GFIDRN CCc1ncsc1C(=O)N1CCCN(C(=O)c2scnc2CC)CC1 ZINC000160797570 551585520 /nfs/dbraw/zinc/58/55/20/551585520.db2.gz QECBHYYGLBQZFC-UHFFFAOYSA-N 0 0 378.523 2.713 20 70 GFIDRN CC[C@@H](CS(=O)(=O)c1ccccc1)NS(=O)(=O)c1ccc(C)c(C)c1 ZINC000160843805 551585999 /nfs/dbraw/zinc/58/59/99/551585999.db2.gz CDUZTNWTOVKRJK-INIZCTEOSA-N 0 0 381.519 2.834 20 70 GFIDRN CC[C@H](CS(=O)(=O)c1ccccc1)NS(=O)(=O)c1ccc(C)cc1C ZINC000160880861 551586714 /nfs/dbraw/zinc/58/67/14/551586714.db2.gz GJBYRJYGBWCNQV-MRXNPFEDSA-N 0 0 381.519 2.834 20 70 GFIDRN CC[C@@H](CS(=O)(=O)c1ccccc1)NS(=O)(=O)c1cccc(Cl)c1 ZINC000160885948 551586898 /nfs/dbraw/zinc/58/68/98/551586898.db2.gz CHWXBMJIEKBEFA-AWEZNQCLSA-N 0 0 387.910 2.871 20 70 GFIDRN CC(C)C(=O)NCCNC(=O)c1cc(C(F)(F)F)ccc1Br ZINC000160960590 551588014 /nfs/dbraw/zinc/58/80/14/551588014.db2.gz GRJZDKJLCMWAJN-UHFFFAOYSA-N 0 0 381.192 2.970 20 70 GFIDRN COc1ccccc1N1CC[C@H](NC(=O)c2cc(Br)cn2C)C1 ZINC000161071398 551589680 /nfs/dbraw/zinc/58/96/80/551589680.db2.gz QWZQMAUZFOIHOU-ZDUSSCGKSA-N 0 0 378.270 2.805 20 70 GFIDRN COc1ccccc1N1CC[C@@H](NC(=O)c2cc(Br)cn2C)C1 ZINC000161071261 551589728 /nfs/dbraw/zinc/58/97/28/551589728.db2.gz QWZQMAUZFOIHOU-CYBMUJFWSA-N 0 0 378.270 2.805 20 70 GFIDRN CCS(=O)(=O)c1ccc(CCC(=O)Nc2nnc(C(F)F)s2)cc1 ZINC000161104801 551590319 /nfs/dbraw/zinc/59/03/19/551590319.db2.gz QXPOVNKEQCQJEX-UHFFFAOYSA-N 0 0 375.422 2.841 20 70 GFIDRN COc1cc(OC)c(NC(=O)N[C@@H]2CCc3n[nH]cc3C2)cc1Br ZINC000161079312 551590328 /nfs/dbraw/zinc/59/03/28/551590328.db2.gz HGEGIQDYBRMREE-SNVBAGLBSA-N 0 0 395.257 2.868 20 70 GFIDRN COc1cc(OC)c(NC(=O)NCc2cnn(C)c2C)cc1Br ZINC000161129507 551590723 /nfs/dbraw/zinc/59/07/23/551590723.db2.gz MZDYBFZZLMURQI-UHFFFAOYSA-N 0 0 383.246 2.830 20 70 GFIDRN O=C(CN1CCN(Cc2ccncc2)CC1)Nc1ccc(Br)cc1 ZINC000161139041 551590735 /nfs/dbraw/zinc/59/07/35/551590735.db2.gz YDCSNGIQTACKDH-UHFFFAOYSA-N 0 0 389.297 2.600 20 70 GFIDRN CCC[C@@H]1C(=O)NCCN1C(=O)Nc1cc(Br)ccc1OCC ZINC000161141066 551590738 /nfs/dbraw/zinc/59/07/38/551590738.db2.gz GWFDBXAYFXKQII-CYBMUJFWSA-N 0 0 384.274 2.980 20 70 GFIDRN C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000161173789 551591259 /nfs/dbraw/zinc/59/12/59/551591259.db2.gz LJNRAJIWSAVPNN-XWIASGKRSA-N 0 0 377.794 2.874 20 70 GFIDRN CCC(=O)N1CC[C@H](C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)C1 ZINC000161178322 551591270 /nfs/dbraw/zinc/59/12/70/551591270.db2.gz VTSMMZYZNFRIAU-GOEBONIOSA-N 0 0 395.297 2.608 20 70 GFIDRN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N(C)CCN1CCOCC1 ZINC000161248557 551591623 /nfs/dbraw/zinc/59/16/23/551591623.db2.gz RNFGQKCIRBIXJX-ZDUSSCGKSA-N 0 0 387.293 2.557 20 70 GFIDRN C[C@@]1(c2cccc(C(=O)Nc3cccc(Br)c3)c2)NC(=O)NC1=O ZINC000161213101 551591726 /nfs/dbraw/zinc/59/17/26/551591726.db2.gz GOCIEKFMTJUXPZ-KRWDZBQOSA-N 0 0 388.221 2.756 20 70 GFIDRN COc1cc(C(=O)N[C@@H](C)Cc2cc(C)n[nH]2)cc(OC)c1Br ZINC000161213390 551591788 /nfs/dbraw/zinc/59/17/88/551591788.db2.gz AQSGUYHRZKIXLK-VIFPVBQESA-N 0 0 382.258 2.859 20 70 GFIDRN CSc1ccc(S(=O)(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)cc1 ZINC000161225117 551591824 /nfs/dbraw/zinc/59/18/24/551591824.db2.gz FPFFMUPUYIFLCJ-CQSZACIVSA-N 0 0 376.503 2.772 20 70 GFIDRN O=C(c1cc(Cl)ccc1-n1cnnn1)N1CCO[C@H](c2cccs2)C1 ZINC000161273900 551592124 /nfs/dbraw/zinc/59/21/24/551592124.db2.gz UTZAODRUYLLBBF-AWEZNQCLSA-N 0 0 375.841 2.591 20 70 GFIDRN CC[C@H](c1ccncc1)N(C)C(=O)C(=O)Nc1ccc(Br)nc1 ZINC000161251460 551592338 /nfs/dbraw/zinc/59/23/38/551592338.db2.gz GWCGJNVJNPXACE-CYBMUJFWSA-N 0 0 377.242 2.787 20 70 GFIDRN COC[C@H](O)CCNC(=O)c1csc(-c2ccc(Br)s2)n1 ZINC000161299270 551592692 /nfs/dbraw/zinc/59/26/92/551592692.db2.gz FICZWYIDPGKQCE-MRVPVSSYSA-N 0 0 391.312 2.761 20 70 GFIDRN CC(C)CNC(=O)c1ccc(NC(=O)CS(=O)(=O)C(C)(C)C)cc1Cl ZINC000161372333 551593739 /nfs/dbraw/zinc/59/37/39/551593739.db2.gz DILPHCFMJVAZSZ-UHFFFAOYSA-N 0 0 388.917 2.878 20 70 GFIDRN COC(=O)c1ncsc1S(=O)(=O)N1CCC[C@](C)(c2ccccc2)C1 ZINC000161402708 551594109 /nfs/dbraw/zinc/59/41/09/551594109.db2.gz WVBYFKZCIKRUEJ-KRWDZBQOSA-N 0 0 380.491 2.672 20 70 GFIDRN Cc1cc(C(=O)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)ncn1 ZINC000161503595 551595075 /nfs/dbraw/zinc/59/50/75/551595075.db2.gz HFAZYGUNICBXKK-UHFFFAOYSA-N 0 0 379.247 2.690 20 70 GFIDRN CN(C[C@@H]1CCCOC1)C(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000159441350 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CS(=O)(=O)CCCCSCc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000160932562 551587961 /nfs/dbraw/zinc/58/79/61/551587961.db2.gz FTQONMCWPVRRGB-UHFFFAOYSA-N 0 0 394.444 2.739 20 70 GFIDRN C[C@H](O)[C@@H]1CCCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)C1 ZINC000160963148 551588023 /nfs/dbraw/zinc/58/80/23/551588023.db2.gz YBHLHGUFYJTIAH-QWHCGFSZSA-N 0 0 378.270 2.868 20 70 GFIDRN CN(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CCSc3c(F)cccc32)co1 ZINC000160941500 551588053 /nfs/dbraw/zinc/58/80/53/551588053.db2.gz YTSZNNKBHOHLSB-ZDUSSCGKSA-N 0 0 384.454 2.636 20 70 GFIDRN Brc1ccc2[nH]c(CN3CCC(Cn4ccnn4)CC3)nc2c1 ZINC000161010336 551588831 /nfs/dbraw/zinc/58/88/31/551588831.db2.gz RZKDHPZVBHRQIP-UHFFFAOYSA-N 0 0 375.274 2.829 20 70 GFIDRN Cc1cc(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)ccc1Br ZINC000161020700 551589032 /nfs/dbraw/zinc/58/90/32/551589032.db2.gz CYCHZSDKPSLKST-CQSZACIVSA-N 0 0 393.256 2.971 20 70 GFIDRN Cc1cc(S(=O)(=O)Nc2ccc(F)cc2CS(C)(=O)=O)cc(C)c1F ZINC000161048550 551589717 /nfs/dbraw/zinc/58/97/17/551589717.db2.gz DRBFXHGSUGFYFY-UHFFFAOYSA-N 0 0 389.445 2.927 20 70 GFIDRN COc1cc(OC)c(NC(=O)NC[C@H](C)C[C@@H](C)O)cc1Br ZINC000161125856 551590678 /nfs/dbraw/zinc/59/06/78/551590678.db2.gz PSXPLWPGPWRXOK-NXEZZACHSA-N 0 0 375.263 2.995 20 70 GFIDRN COc1cc(Br)c(CNC(=O)[C@H]2CCn3ccnc3C2)cc1OC ZINC000161180179 551591025 /nfs/dbraw/zinc/59/10/25/551591025.db2.gz NIKDSNDHNBIYCP-NSHDSACASA-N 0 0 394.269 2.542 20 70 GFIDRN O=C(NC[C@@H]1CCCS1(=O)=O)Nc1ccc(Br)c(Cl)c1 ZINC000161340601 551592761 /nfs/dbraw/zinc/59/27/61/551592761.db2.gz VLSANXMPGBBRHH-VIFPVBQESA-N 0 0 381.679 2.801 20 70 GFIDRN COC(=O)C[C@@H]1CSCCN1[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000161351261 551593431 /nfs/dbraw/zinc/59/34/31/551593431.db2.gz FDFHSXQQLDGTTI-IUODEOHRSA-N 0 0 386.876 2.565 20 70 GFIDRN CCCN(CC(=O)NC)C(=O)[C@H](C)CC(=O)c1cccc(Br)c1 ZINC000161392507 551593874 /nfs/dbraw/zinc/59/38/74/551593874.db2.gz UPBCPHRYXTZVFX-GFCCVEGCSA-N 0 0 383.286 2.643 20 70 GFIDRN CN(C(=O)Nc1nnc2ccccn21)[C@@H](CO)c1cccc(Br)c1 ZINC000161426638 551594186 /nfs/dbraw/zinc/59/41/86/551594186.db2.gz KXPRWHVOHRBRLV-ZDUSSCGKSA-N 0 0 390.241 2.689 20 70 GFIDRN CC(C)CO[C@H]1CCN(C(=O)CNC(=O)c2ccc(Br)s2)C1 ZINC000161494609 551594880 /nfs/dbraw/zinc/59/48/80/551594880.db2.gz CRIWZAKHCJBULD-NSHDSACASA-N 0 0 389.315 2.514 20 70 GFIDRN CN(CC(=O)NC(C)(C)C)C(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000159384430 551564549 /nfs/dbraw/zinc/56/45/49/551564549.db2.gz RCEUADQQPUBTRA-UHFFFAOYSA-N 0 0 380.286 2.846 20 70 GFIDRN CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NCCc1c(Cl)cccc1Cl ZINC000159398811 551564747 /nfs/dbraw/zinc/56/47/47/551564747.db2.gz URWUGFVIVLCALI-ZDUSSCGKSA-N 0 0 381.325 2.616 20 70 GFIDRN C[C@@](O)(CNC(=O)N[C@H]1CCN(c2ncccc2Cl)C1)c1ccsc1 ZINC000159497260 551565901 /nfs/dbraw/zinc/56/59/01/551565901.db2.gz CZBDFLJMNQCITH-SUMWQHHRSA-N 0 0 380.901 2.582 20 70 GFIDRN CC(C)Cc1nnc(NC(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)s1 ZINC000159497509 551565920 /nfs/dbraw/zinc/56/59/20/551565920.db2.gz NPGZUBNMLIXRAF-ZDUSSCGKSA-N 0 0 382.511 2.644 20 70 GFIDRN CC[C@H](Cc1ccccc1Br)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000159531301 551566301 /nfs/dbraw/zinc/56/63/01/551566301.db2.gz GWLWYPDYEBGERA-WBMJQRKESA-N 0 0 388.327 2.711 20 70 GFIDRN CS(=O)(=O)CCCS(=O)(=O)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000159540111 551566351 /nfs/dbraw/zinc/56/63/51/551566351.db2.gz VDCKNYBBOZGMOW-GOSISDBHSA-N 0 0 387.567 2.628 20 70 GFIDRN O=S(=O)(NC[C@@H](O)C1CCCCC1)c1ccc(F)cc1Br ZINC000159537308 551566359 /nfs/dbraw/zinc/56/63/59/551566359.db2.gz ZYLVSQYHGOOPRI-CYBMUJFWSA-N 0 0 380.279 2.808 20 70 GFIDRN Cc1cc(Br)ccc1CNC(=O)NC[C@H](C)CN1CCOCC1 ZINC000159579533 551567252 /nfs/dbraw/zinc/56/72/52/551567252.db2.gz CSTHNVUHLCYCTM-ZDUSSCGKSA-N 0 0 384.318 2.525 20 70 GFIDRN Cc1ccc(Cl)cc1S(=O)(=O)NCCNc1nccc(C(F)(F)F)n1 ZINC000159588619 551567473 /nfs/dbraw/zinc/56/74/73/551567473.db2.gz PEUINAXJXMVDFN-UHFFFAOYSA-N 0 0 394.806 2.848 20 70 GFIDRN CC(=O)N1CC[C@H](NC(=O)[C@@H](Oc2ccccc2Br)C(C)C)C1 ZINC000159618726 551567814 /nfs/dbraw/zinc/56/78/14/551567814.db2.gz WFIHYUWSANKCCL-BBRMVZONSA-N 0 0 383.286 2.590 20 70 GFIDRN COC(=O)[C@H](NC(=O)[C@@H](C)CC(=O)c1cccc(Br)c1)C(C)C ZINC000159758731 551570355 /nfs/dbraw/zinc/57/03/55/551570355.db2.gz QLVDEQUMKVIDQV-XHDPSFHLSA-N 0 0 384.270 2.972 20 70 GFIDRN Cc1ccc(C[C@H](C)NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)s1 ZINC000159655658 551568755 /nfs/dbraw/zinc/56/87/55/551568755.db2.gz OVQJONKWZYQXIU-LBPRGKRZSA-N 0 0 381.523 2.530 20 70 GFIDRN C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)Cc1cnn(C)c1 ZINC000159888837 551572564 /nfs/dbraw/zinc/57/25/64/551572564.db2.gz UWKNMCDJEUQVQU-SJKOYZFVSA-N 0 0 378.270 2.714 20 70 GFIDRN CCN(C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F)[C@H](C)c1cccnc1 ZINC000159932957 551573084 /nfs/dbraw/zinc/57/30/84/551573084.db2.gz BMKWLKJWPDYGEK-SNVBAGLBSA-N 0 0 385.848 2.745 20 70 GFIDRN Cc1nn(C)c(C)c1[C@H](OC(=O)CCS(=O)(=O)CC(C)C)C(F)(F)F ZINC000159941945 551573583 /nfs/dbraw/zinc/57/35/83/551573583.db2.gz DFKRRROXMBGIMP-AWEZNQCLSA-N 0 0 384.420 2.644 20 70 GFIDRN Cc1cc(C)c(Br)c(C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)c1 ZINC000160004125 551574283 /nfs/dbraw/zinc/57/42/83/551574283.db2.gz FWHQYDYWWJLLAC-NEPJUHHUSA-N 0 0 376.316 2.960 20 70 GFIDRN CC(=O)c1c[nH]c(C(=O)N(CCO)Cc2cc(Br)ccc2F)c1 ZINC000160008735 551574408 /nfs/dbraw/zinc/57/44/08/551574408.db2.gz BGKNTZJCUAOYIN-UHFFFAOYSA-N 0 0 383.217 2.754 20 70 GFIDRN CON(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2sccc2C)cc1 ZINC000160040648 551574847 /nfs/dbraw/zinc/57/48/47/551574847.db2.gz CIBFTAYXSUWKHD-LSDHHAIUSA-N 0 0 380.491 2.981 20 70 GFIDRN CCc1noc(C)c1NC(=O)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000160153060 551576183 /nfs/dbraw/zinc/57/61/83/551576183.db2.gz TUEOWBFUHUWPQC-UHFFFAOYSA-N 0 0 380.242 2.905 20 70 GFIDRN O=C(CNC(=O)Cc1c[nH]c2cc(Br)ccc12)Nc1cccnc1 ZINC000160150957 551576309 /nfs/dbraw/zinc/57/63/09/551576309.db2.gz RLLFMMRQTIKWRT-UHFFFAOYSA-N 0 0 387.237 2.623 20 70 GFIDRN Cc1cc(Br)ccc1NC(=O)N(CCS(C)(=O)=O)C1CC1 ZINC000160178753 551576919 /nfs/dbraw/zinc/57/69/19/551576919.db2.gz JGGACRAWGRXINA-UHFFFAOYSA-N 0 0 375.288 2.798 20 70 GFIDRN CN(C(=O)Nc1ccnn1Cc1cccc(Br)c1)[C@@H]1CCOC1 ZINC000160209441 551577385 /nfs/dbraw/zinc/57/73/85/551577385.db2.gz XXJKOTKPYIXZLA-CQSZACIVSA-N 0 0 379.258 2.947 20 70 GFIDRN CS[C@H](CO)[C@H](C)NC(=O)NCc1cccc(COCC(F)(F)F)c1 ZINC000160234859 551577627 /nfs/dbraw/zinc/57/76/27/551577627.db2.gz PBFITQXKGBTVHO-SMDDNHRTSA-N 0 0 380.432 2.677 20 70 GFIDRN Cc1cc(C(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)cc(Cl)n1 ZINC000160234254 551577655 /nfs/dbraw/zinc/57/76/55/551577655.db2.gz VTHQCSGRFNIGLB-OAHLLOKOSA-N 0 0 385.917 2.510 20 70 GFIDRN C[C@@H](CNC(=O)NC[C@@H]1CCCS1(=O)=O)c1c(Cl)cccc1Cl ZINC000160285667 551578019 /nfs/dbraw/zinc/57/80/19/551578019.db2.gz RBBZHIZBSLSALG-QWRGUYRKSA-N 0 0 379.309 2.973 20 70 GFIDRN Cc1ccc2c(c1)[C@H](NC(=O)CNC(=O)c1ccc(Br)s1)CO2 ZINC000160319609 551578928 /nfs/dbraw/zinc/57/89/28/551578928.db2.gz IOBVUTTXBORPEH-LLVKDONJSA-N 0 0 395.278 2.799 20 70 GFIDRN CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1sccc1-c1ccccc1 ZINC000160396815 551579929 /nfs/dbraw/zinc/57/99/29/551579929.db2.gz JAFSKURMDLLHHF-GOEBONIOSA-N 0 0 378.519 2.863 20 70 GFIDRN COc1cc(NC(=O)C(=O)Nc2cnn(CC(C)C)c2)ccc1Br ZINC000160425288 551580553 /nfs/dbraw/zinc/58/05/53/551580553.db2.gz HCMGBIMAAKFDOR-UHFFFAOYSA-N 0 0 395.257 2.887 20 70 GFIDRN CC(C)Cn1cc(NC(=O)C(=O)N2CCc3ccc(Br)cc32)cn1 ZINC000160445493 551580782 /nfs/dbraw/zinc/58/07/82/551580782.db2.gz RZCUKMYBFMRUDC-UHFFFAOYSA-N 0 0 391.269 2.829 20 70 GFIDRN CCCCN(CC(N)=O)C(=O)[C@@H](C)CC(=O)c1cccc(Br)c1 ZINC000160467886 551581088 /nfs/dbraw/zinc/58/10/88/551581088.db2.gz VVTWMZBFXNWXRX-LBPRGKRZSA-N 0 0 383.286 2.772 20 70 GFIDRN CCC([NH3+])(CC)CNC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000160491632 551581316 /nfs/dbraw/zinc/58/13/16/551581316.db2.gz POAKSLJFWDZDNX-UHFFFAOYSA-N 0 0 381.523 2.796 20 70 GFIDRN O=C(COc1ccc(Br)cc1)N1CCOC[C@@H]1[C@@H]1CCCCC1=O ZINC000160500724 551581626 /nfs/dbraw/zinc/58/16/26/551581626.db2.gz DIXYQXIQDDMIHM-JKSUJKDBSA-N 0 0 396.281 2.815 20 70 GFIDRN CC(C)[C@H](C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O)c1cccc(Cl)c1 ZINC000160549922 551582016 /nfs/dbraw/zinc/58/20/16/551582016.db2.gz AYOLXYMYBKQEDP-PVAVHDDUSA-N 0 0 386.945 2.914 20 70 GFIDRN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)C1 ZINC000160553858 551582343 /nfs/dbraw/zinc/58/23/43/551582343.db2.gz SEWZRSDMOIJLKM-BMIGLBTASA-N 0 0 383.279 2.895 20 70 GFIDRN CC(C)CS(=O)(=O)CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1 ZINC000160605996 551583282 /nfs/dbraw/zinc/58/32/82/551583282.db2.gz DQCCEKLQNKRRNP-UHFFFAOYSA-N 0 0 382.869 2.908 20 70 GFIDRN CN(CCn1cccn1)S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000160625630 551583510 /nfs/dbraw/zinc/58/35/10/551583510.db2.gz NRDQAYOFSBQYBK-UHFFFAOYSA-N 0 0 396.669 2.759 20 70 GFIDRN CC(=O)N[C@@H](CC(=O)N[C@@H](CO)CC(C)C)c1ccc(Br)cc1 ZINC000160660538 551583727 /nfs/dbraw/zinc/58/37/27/551583727.db2.gz CPIROUHZEBZOEJ-CVEARBPZSA-N 0 0 385.302 2.540 20 70 GFIDRN O=C(NC[C@]1(O)CCSC1)Nc1ccnn1Cc1ccc(Cl)c(F)c1 ZINC000160647291 551583867 /nfs/dbraw/zinc/58/38/67/551583867.db2.gz SDEFHDDXOYQSAR-MRXNPFEDSA-N 0 0 384.864 2.713 20 70 GFIDRN CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)CCc1ccc(Cl)cc1Cl ZINC000160720876 551584517 /nfs/dbraw/zinc/58/45/17/551584517.db2.gz IURJCGRFNBWGHK-IUODEOHRSA-N 0 0 393.336 2.760 20 70 GFIDRN C[NH+](C)CCCNC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000160751542 551584825 /nfs/dbraw/zinc/58/48/25/551584825.db2.gz NXTJZSPGCFXYTC-UHFFFAOYSA-N 0 0 380.080 2.599 20 70 GFIDRN CSc1ccc(S(=O)(=O)N2CCN(Cc3cccc(O)c3)CC2)cc1 ZINC000160770997 551585477 /nfs/dbraw/zinc/58/54/77/551585477.db2.gz FIQNZHPCYRMTDP-UHFFFAOYSA-N 0 0 378.519 2.621 20 70 GFIDRN CCC(=O)N1CSC[C@@H]1C(=O)Nc1cc(F)c(Br)cc1F ZINC000160824443 551585795 /nfs/dbraw/zinc/58/57/95/551585795.db2.gz DUXREZVDBRQVEX-LLVKDONJSA-N 0 0 379.226 2.977 20 70 GFIDRN CC[C@@](C)(NS(=O)(=O)CCC(=O)OCc1ccccc1)c1nccs1 ZINC000160821485 551585985 /nfs/dbraw/zinc/58/59/85/551585985.db2.gz QZKCPBQCYQGWOC-QGZVFWFLSA-N 0 0 382.507 2.821 20 70 GFIDRN CCCN(CCO)C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000160895825 551586661 /nfs/dbraw/zinc/58/66/61/551586661.db2.gz WDGBWSHVTZOGLU-UHFFFAOYSA-N 0 0 384.164 2.806 20 70 GFIDRN O=C(Nc1cc(F)c(I)c(F)c1)N1CCC[C@H](CO)C1 ZINC000160890448 551586727 /nfs/dbraw/zinc/58/67/27/551586727.db2.gz PMRNTNDQEYRONH-QMMMGPOBSA-N 0 0 396.175 2.806 20 70 GFIDRN COC(=O)Cn1ccc(NC(=O)N[C@@H](C)Cc2ccccc2Br)n1 ZINC000160918576 551587450 /nfs/dbraw/zinc/58/74/50/551587450.db2.gz OICYJGHOGMOXKJ-NSHDSACASA-N 0 0 395.257 2.571 20 70 GFIDRN COc1ccc(Br)c(CC(=O)N[C@@H](CC(N)=O)C2CCCCC2)c1 ZINC000160923079 551587451 /nfs/dbraw/zinc/58/74/51/551587451.db2.gz CORIIVIMGIQPEU-INIZCTEOSA-N 0 0 397.313 2.941 20 70 GFIDRN NC(=O)c1ccc(OCC(=O)Nc2cc(F)c(Br)cc2F)cc1 ZINC000160900478 551587498 /nfs/dbraw/zinc/58/74/98/551587498.db2.gz NDBKIARGWVROJZ-UHFFFAOYSA-N 0 0 385.164 2.844 20 70 GFIDRN O=C(Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCCc2sccc21 ZINC000160927961 551587531 /nfs/dbraw/zinc/58/75/31/551587531.db2.gz UHPBKERUNYZZJE-YPMHNXCESA-N 0 0 380.495 2.503 20 70 GFIDRN 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ZINC000159832715 551571835 /nfs/dbraw/zinc/57/18/35/551571835.db2.gz BCDLSXCKWBXGJE-KRWDZBQOSA-N 0 0 379.503 2.737 20 70 GFIDRN CC(=O)NC[C@H]1CCCN(C(=O)CSc2cccc(Br)c2)C1 ZINC000159892533 551572603 /nfs/dbraw/zinc/57/26/03/551572603.db2.gz BUDWWHKHORPUSE-CYBMUJFWSA-N 0 0 385.327 2.916 20 70 GFIDRN O=C(NCc1ccc(O)c(Br)c1)NC[C@@H]1Cc2ccccc2O1 ZINC000159930073 551573086 /nfs/dbraw/zinc/57/30/86/551573086.db2.gz ORQGKMSBIUTMNI-ZDUSSCGKSA-N 0 0 377.238 2.958 20 70 GFIDRN CC[C@@H](NS(=O)(=O)c1cc(C)cc(S(C)(=O)=O)c1C)c1nccs1 ZINC000159976237 551573819 /nfs/dbraw/zinc/57/38/19/551573819.db2.gz SVVOYBBSHKNWGD-GFCCVEGCSA-N 0 0 388.536 2.593 20 70 GFIDRN CC1(C)CN(C(=O)/C=C/c2ccc(Br)s2)CCS1(=O)=O ZINC000160127101 551575818 /nfs/dbraw/zinc/57/58/18/551575818.db2.gz KTWFLAZDUDBWSK-GQCTYLIASA-N 0 0 378.313 2.559 20 70 GFIDRN COc1ccc(NC(=O)C(=O)N(C)Cc2cc(Br)cn2C)cc1F ZINC000160123904 551575888 /nfs/dbraw/zinc/57/58/88/551575888.db2.gz XKGJYHUGJGONLL-UHFFFAOYSA-N 0 0 398.232 2.532 20 70 GFIDRN CC1(C)CN(C(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)CCS1(=O)=O ZINC000160173064 551576838 /nfs/dbraw/zinc/57/68/38/551576838.db2.gz IZZZYOVOJKAKBE-KGLIPLIRSA-N 0 0 375.412 2.845 20 70 GFIDRN C[C@@H](NC(=O)Nc1ccnn1Cc1cccc(Br)c1)c1nc[nH]n1 ZINC000160222840 551577189 /nfs/dbraw/zinc/57/71/89/551577189.db2.gz SUTOQXIZWGSUID-SNVBAGLBSA-N 0 0 390.245 2.695 20 70 GFIDRN C[C@H](CCO)CNC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000160219750 551577272 /nfs/dbraw/zinc/57/72/72/551577272.db2.gz LSNJPYAIKQTRNZ-GFCCVEGCSA-N 0 0 381.274 2.834 20 70 GFIDRN Cc1ccc(CN(Cc2ccco2)C(=O)NC[C@H]2CCCS2(=O)=O)s1 ZINC000160227752 551577396 /nfs/dbraw/zinc/57/73/96/551577396.db2.gz ONBZQMMKVSTTHE-MRXNPFEDSA-N 0 0 382.507 2.939 20 70 GFIDRN CCN(Cc1ccccc1NC(=O)c1cc(S(C)(=O)=O)cs1)C(C)=O ZINC000160218135 551577417 /nfs/dbraw/zinc/57/74/17/551577417.db2.gz TWRQTZASNPZLFA-UHFFFAOYSA-N 0 0 380.491 2.772 20 70 GFIDRN COc1ccc(Br)cc1CNC(=O)c1cnc2c(c1)ncn2C ZINC000160278167 551578212 /nfs/dbraw/zinc/57/82/12/551578212.db2.gz KVXZUGIQFKCINK-UHFFFAOYSA-N 0 0 375.226 2.669 20 70 GFIDRN Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)[C@H](C)CS(C)(=O)=O ZINC000160261473 551578424 /nfs/dbraw/zinc/57/84/24/551578424.db2.gz VIMOIFNICZZZKW-TZMCWYRMSA-N 0 0 389.949 2.845 20 70 GFIDRN CNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H](CC(C)C)c2ccc(Cl)cc2)C1 ZINC000160315662 551578697 /nfs/dbraw/zinc/57/86/97/551578697.db2.gz KUUKQVRXWUBIIC-CVEARBPZSA-N 0 0 387.933 2.760 20 70 GFIDRN CNS(=O)(=O)c1cc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)co1 ZINC000160322646 551578782 /nfs/dbraw/zinc/57/87/82/551578782.db2.gz CXEKDAULAXMKSS-UHFFFAOYSA-N 0 0 377.447 2.872 20 70 GFIDRN CCOCCS(=O)(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000160297563 551578866 /nfs/dbraw/zinc/57/88/66/551578866.db2.gz DRTXYXCCRCDDFO-UHFFFAOYSA-N 0 0 385.873 2.721 20 70 GFIDRN CCOC(=O)C[C@@H](C)NC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000160408592 551579988 /nfs/dbraw/zinc/57/99/88/551579988.db2.gz XMDSQKPPWHKXGG-LLVKDONJSA-N 0 0 380.242 2.706 20 70 GFIDRN COc1ccc(N(C)C(=O)c2ccc(Br)cc2-n2cncn2)cn1 ZINC000160438265 551580678 /nfs/dbraw/zinc/58/06/78/551580678.db2.gz KGNFTGGTGHHBNI-UHFFFAOYSA-N 0 0 388.225 2.710 20 70 GFIDRN Cn1cc(Br)cc(NC(=O)NCCC[C@H]2CCCC[C@@H]2O)c1=O ZINC000160426823 551580734 /nfs/dbraw/zinc/58/07/34/551580734.db2.gz HSCWWUKBPHQGIC-RISCZKNCSA-N 0 0 386.290 2.601 20 70 GFIDRN CS(=O)(=O)c1nc(C(=O)N[C@H]2CCCc3sccc32)c2ccccn21 ZINC000160464099 551581031 /nfs/dbraw/zinc/58/10/31/551581031.db2.gz ZUDLVTWXADYXHU-LBPRGKRZSA-N 0 0 375.475 2.607 20 70 GFIDRN CCS(=O)(=O)c1cccc(CC(=O)Nc2ccc([S@](C)=O)c(F)c2)c1 ZINC000160505953 551581577 /nfs/dbraw/zinc/58/15/77/551581577.db2.gz WQLBHJQXDXMEHK-XMMPIXPASA-N 0 0 383.466 2.538 20 70 GFIDRN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)C1 ZINC000160554089 551582154 /nfs/dbraw/zinc/58/21/54/551582154.db2.gz SEWZRSDMOIJLKM-BONVTDFDSA-N 0 0 383.279 2.895 20 70 GFIDRN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)C1 ZINC000160553970 551582272 /nfs/dbraw/zinc/58/22/72/551582272.db2.gz SEWZRSDMOIJLKM-ZUZCIYMTSA-N 0 0 383.279 2.895 20 70 GFIDRN O=C(Cc1ccc(Br)cc1)N1CCOC[C@@H]1[C@H]1CCCCC1=O ZINC000160647336 551583632 /nfs/dbraw/zinc/58/36/32/551583632.db2.gz CCIOKXAFBNEAOL-HZPDHXFCSA-N 0 0 380.282 2.978 20 70 GFIDRN Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1csc(S(C)(=O)=O)c1 ZINC000160701372 551584456 /nfs/dbraw/zinc/58/44/56/551584456.db2.gz XKPUMRXWCNFXAM-UHFFFAOYSA-N 0 0 380.491 2.851 20 70 GFIDRN CN(Cc1cc(Br)cn1C)C(=O)NCCCNc1ccccn1 ZINC000160681903 551584504 /nfs/dbraw/zinc/58/45/04/551584504.db2.gz XSCBEBRGOCMDMR-UHFFFAOYSA-N 0 0 380.290 2.826 20 70 GFIDRN CCSc1ccc(Cl)cc1C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000160733256 551584805 /nfs/dbraw/zinc/58/48/05/551584805.db2.gz OHIBNKWBZGGYOD-RISCZKNCSA-N 0 0 390.958 2.900 20 70 GFIDRN O=S(=O)(c1ccc(F)cc1Cl)N1CCN(Cc2cccc(O)c2)CC1 ZINC000160788106 551585308 /nfs/dbraw/zinc/58/53/08/551585308.db2.gz KJZXDXPARWLDEW-UHFFFAOYSA-N 0 0 384.860 2.691 20 70 GFIDRN C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1noc(-c2ccsc2)n1 ZINC000160819068 551585769 /nfs/dbraw/zinc/58/57/69/551585769.db2.gz ISWFJCSTXMECPV-LLVKDONJSA-N 0 0 378.479 2.639 20 70 GFIDRN CCc1cccc(S(=O)(=O)N[C@H](CC)CS(=O)(=O)c2ccccc2)c1 ZINC000160880318 551586992 /nfs/dbraw/zinc/58/69/92/551586992.db2.gz XEDDFDMXBBJVRX-MRXNPFEDSA-N 0 0 381.519 2.780 20 70 GFIDRN C[C@H](NC(=O)c1csc([C@@H]2CCCO2)n1)c1ccc(S(C)(=O)=O)cc1 ZINC000160903040 551587538 /nfs/dbraw/zinc/58/75/38/551587538.db2.gz GJJMPJMLVQHPRB-NHYWBVRUSA-N 0 0 380.491 2.889 20 70 GFIDRN CC(C)OC(=O)c1ccn(CC(=O)Nc2ccccc2Br)c(=O)c1 ZINC000160995900 551588405 /nfs/dbraw/zinc/58/84/05/551588405.db2.gz YKRNBEUUUBMVJR-UHFFFAOYSA-N 0 0 393.237 2.815 20 70 GFIDRN Cc1cc(C)n2nc(CC(=O)Nc3cc(F)c(Br)cc3F)nc2n1 ZINC000160975574 551588612 /nfs/dbraw/zinc/58/86/12/551588612.db2.gz IOYATKWNDXAFGW-UHFFFAOYSA-N 0 0 396.195 2.963 20 70 GFIDRN O=S(=O)(NCC1(O)CCCCCC1)c1cc(F)ccc1Br ZINC000160975551 551588730 /nfs/dbraw/zinc/58/87/30/551588730.db2.gz CYAATYQGBDCJSV-UHFFFAOYSA-N 0 0 380.279 2.952 20 70 GFIDRN COc1ccc(S(N)(=O)=O)cc1NC(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC000161019790 551589113 /nfs/dbraw/zinc/58/91/13/551589113.db2.gz AOIHRZPKCSDCLM-NSHDSACASA-N 0 0 382.869 2.813 20 70 GFIDRN O=C(CCS(=O)(=O)NCc1nc(C2CC2)cs1)OCc1ccccc1 ZINC000161095972 551589962 /nfs/dbraw/zinc/58/99/62/551589962.db2.gz HZUZPPMABDMFFU-UHFFFAOYSA-N 0 0 380.491 2.573 20 70 GFIDRN COC[C@H](O)CCNC(=O)c1ccc(-c2cccc(Br)c2)nc1C ZINC000161082143 551590369 /nfs/dbraw/zinc/59/03/69/551590369.db2.gz UJRDCZQJOMOZPW-OAHLLOKOSA-N 0 0 393.281 2.947 20 70 GFIDRN COc1cc(OC)c(NC(=O)NCC[C@H](O)C(C)C)cc1Br ZINC000161126351 551590681 /nfs/dbraw/zinc/59/06/81/551590681.db2.gz FDYIMFBOGMQJKX-LBPRGKRZSA-N 0 0 375.263 2.995 20 70 GFIDRN COC(=O)c1ncsc1S(=O)(=O)N1CCC[C@@H](c2ccccc2)CC1 ZINC000161117581 551590746 /nfs/dbraw/zinc/59/07/46/551590746.db2.gz AAXUAAKVEZZBSJ-CQSZACIVSA-N 0 0 380.491 2.888 20 70 GFIDRN CN(C[C@@H]1CCC[C@@H]1O)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000161172812 551591188 /nfs/dbraw/zinc/59/11/88/551591188.db2.gz OTIFYCWHNNHTCZ-VBQJREDUSA-N 0 0 396.329 2.830 20 70 GFIDRN COC(=O)c1ncsc1S(=O)(=O)N1CCC(c2ccccc2C)CC1 ZINC000161212951 551591668 /nfs/dbraw/zinc/59/16/68/551591668.db2.gz QRIMBUBTQIJMKD-UHFFFAOYSA-N 0 0 380.491 2.806 20 70 GFIDRN O=C(CNC(=O)CC1CCCC1)NCCc1cc(Br)ccc1F ZINC000161282422 551592206 /nfs/dbraw/zinc/59/22/06/551592206.db2.gz OXAFGPHPNFXYCO-UHFFFAOYSA-N 0 0 385.277 2.943 20 70 GFIDRN NC(=O)CC[C@H]1CCCN(C(=O)Cc2c[nH]c3cc(Br)ccc23)C1 ZINC000161319351 551592658 /nfs/dbraw/zinc/59/26/58/551592658.db2.gz RUCGJWPZYKJZSK-GFCCVEGCSA-N 0 0 392.297 2.977 20 70 GFIDRN Cc1cc(S(N)(=O)=O)sc1C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000161313026 551592902 /nfs/dbraw/zinc/59/29/02/551592902.db2.gz QAHKKOFFXBYSKE-UHFFFAOYSA-N 0 0 393.317 2.983 20 70 GFIDRN CCCN(CC(=O)N(C)C)C(=O)[C@H](C)CC(=O)c1cccc(Br)c1 ZINC000161356365 551593399 /nfs/dbraw/zinc/59/33/99/551593399.db2.gz WBWNDECXEFZSPY-CYBMUJFWSA-N 0 0 397.313 2.985 20 70 GFIDRN CCS(=O)(=O)c1cccc(CC(=O)N(CCc2nccs2)C(C)C)c1 ZINC000161370829 551593837 /nfs/dbraw/zinc/59/38/37/551593837.db2.gz DJBXJQQGNHCSNE-UHFFFAOYSA-N 0 0 380.535 2.959 20 70 GFIDRN NC(=O)[C@H](c1cccc(Br)c1)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000161422485 551594370 /nfs/dbraw/zinc/59/43/70/551594370.db2.gz BCNQVHQZDXTWLD-IRXDYDNUSA-N 0 0 391.265 2.755 20 70 GFIDRN COc1cc(Br)c(S(=O)(=O)N(C)C[C@@H](O)C2CC2)cc1Cl ZINC000161446192 551594526 /nfs/dbraw/zinc/59/45/26/551594526.db2.gz INJXYHJZSDJTBB-LLVKDONJSA-N 0 0 398.706 2.503 20 70 GFIDRN CN(C(=O)NCCCOCC1CC1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000161482572 551594826 /nfs/dbraw/zinc/59/48/26/551594826.db2.gz ICJDAAVRDJYOPW-HNNXBMFYSA-N 0 0 386.901 2.627 20 70 GFIDRN O=C(NCCSCCCO)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000161472615 551594995 /nfs/dbraw/zinc/59/49/95/551594995.db2.gz RHTCAACDSVYRQY-GFCCVEGCSA-N 0 0 391.320 2.578 20 70 GFIDRN O=C(NCCSCCCO)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000161472724 551595025 /nfs/dbraw/zinc/59/50/25/551595025.db2.gz RHTCAACDSVYRQY-LBPRGKRZSA-N 0 0 391.320 2.578 20 70 GFIDRN CC(=O)N1CC[C@H](NC(=O)c2cc(C)nc3cc(Br)ccc32)C1 ZINC000159395156 551564491 /nfs/dbraw/zinc/56/44/91/551564491.db2.gz SBSWRZAIDMNWAM-ZDUSSCGKSA-N 0 0 376.254 2.656 20 70 GFIDRN CSc1ccc(NC(=O)C(=O)NCCc2csc(C(C)(C)C)n2)cn1 ZINC000159450219 551565338 /nfs/dbraw/zinc/56/53/38/551565338.db2.gz JHUWQQWFWHXPKG-UHFFFAOYSA-N 0 0 378.523 2.855 20 70 GFIDRN CN(Cc1cc(Br)cn1C)C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000159458036 551565404 /nfs/dbraw/zinc/56/54/04/551565404.db2.gz LTKHELBLWNKMNE-LBPRGKRZSA-N 0 0 396.289 2.685 20 70 GFIDRN COc1ccc(S(C)(=O)=O)cc1C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000159506205 551565844 /nfs/dbraw/zinc/56/58/44/551565844.db2.gz XFEMOAMTMBVZRQ-CQSZACIVSA-N 0 0 380.491 2.923 20 70 GFIDRN O=C(NC1CCN(c2ncccn2)CC1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000159514455 551566240 /nfs/dbraw/zinc/56/62/40/551566240.db2.gz RESNMTFNRSGXCU-HNNXBMFYSA-N 0 0 381.263 2.602 20 70 GFIDRN CN(Cc1ccc(Cl)s1)C(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000159522578 551566274 /nfs/dbraw/zinc/56/62/74/551566274.db2.gz 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/nfs/dbraw/zinc/56/47/91/551564791.db2.gz GKDJFVBADQTRNH-UHFFFAOYSA-N 0 0 376.360 2.904 20 70 GFIDRN CCOc1ccc(S(=O)(=O)N(C)[C@H]2CCSC2)cc1Br ZINC000159395972 551564814 /nfs/dbraw/zinc/56/48/14/551564814.db2.gz YJZSGZJOYODYNC-JTQLQIEISA-N 0 0 380.329 2.974 20 70 GFIDRN CN(CC(C)(C)CN1CCOCC1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000159463988 551565074 /nfs/dbraw/zinc/56/50/74/551565074.db2.gz IDDUCVBUABMLOR-UHFFFAOYSA-N 0 0 395.352 2.972 20 70 GFIDRN CC(C)(C)C(=O)NCCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000159416518 551565102 /nfs/dbraw/zinc/56/51/02/551565102.db2.gz DWNZSXTUWZVTRN-UHFFFAOYSA-N 0 0 394.686 2.864 20 70 GFIDRN C[C@](O)(CNC(=O)N[C@H]1CCN(c2ncccc2Cl)C1)c1ccsc1 ZINC000159497380 551565741 /nfs/dbraw/zinc/56/57/41/551565741.db2.gz CZBDFLJMNQCITH-GUYCJALGSA-N 0 0 380.901 2.582 20 70 GFIDRN COc1ccc(Br)cc1S(=O)(=O)N(C)c1ncccc1OC ZINC000159533953 551566234 /nfs/dbraw/zinc/56/62/34/551566234.db2.gz ZOIBQGDYJFYCJM-UHFFFAOYSA-N 0 0 387.255 2.686 20 70 GFIDRN Cc1cc(NC(=O)c2cc(I)c(F)cc2F)c[nH]c1=O 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CN(Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)C[C@H]1CCC[C@@H]1O ZINC000159684633 551569172 /nfs/dbraw/zinc/56/91/72/551569172.db2.gz LNONBYRXOFILBE-PBHICJAKSA-N 0 0 380.535 2.806 20 70 GFIDRN C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)CCCCNC(N)=O ZINC000159735421 551569762 /nfs/dbraw/zinc/56/97/62/551569762.db2.gz NJFHMEYMQWCXPY-MLGOLLRUSA-N 0 0 398.301 2.576 20 70 GFIDRN CC(C)N(CCS(C)(=O)=O)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000159701943 551569831 /nfs/dbraw/zinc/56/98/31/551569831.db2.gz YJYIBUYRHZPRMD-UHFFFAOYSA-N 0 0 388.338 2.578 20 70 GFIDRN COC(=O)NCCCC(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@@H]1C ZINC000159727988 551570004 /nfs/dbraw/zinc/57/00/04/551570004.db2.gz IFQQAJKBJMLVDC-LRDDRELGSA-N 0 0 399.285 2.874 20 70 GFIDRN CC(C)c1csc([C@H]2CCCN(C(=O)NC[C@@H]3CCCS3(=O)=O)C2)n1 ZINC000159742011 551570192 /nfs/dbraw/zinc/57/01/92/551570192.db2.gz ZBSRXNUKVFZKMQ-KBPBESRZSA-N 0 0 385.555 2.733 20 70 GFIDRN Cn1c(=O)oc2c1cccc2C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000159793250 551570931 /nfs/dbraw/zinc/57/09/31/551570931.db2.gz KRFKFZLRFIDERR-UHFFFAOYSA-N 0 0 381.219 2.675 20 70 GFIDRN CN(C)C(=O)CN(C(=O)COc1ccccc1Br)c1ccccc1 ZINC000159819686 551571298 /nfs/dbraw/zinc/57/12/98/551571298.db2.gz UPQISKWZLPOVIQ-UHFFFAOYSA-N 0 0 391.265 2.949 20 70 GFIDRN CCOCCOc1ccc(Br)cc1CN1CCC(CC(N)=O)CC1 ZINC000159815426 551571569 /nfs/dbraw/zinc/57/15/69/551571569.db2.gz GQWQOYPGAAGYSI-UHFFFAOYSA-N 0 0 399.329 2.952 20 70 GFIDRN Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000159856670 551572066 /nfs/dbraw/zinc/57/20/66/551572066.db2.gz JTNZQTGRRRGRFR-ZFWWWQNUSA-N 0 0 383.901 2.828 20 70 GFIDRN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)c2cc(Cl)cc(C(F)(F)F)c2)O1 ZINC000159899118 551572549 /nfs/dbraw/zinc/57/25/49/551572549.db2.gz RCJNBSZAUUFKKB-STQMWFEESA-N 0 0 378.778 2.724 20 70 GFIDRN CNS(=O)(=O)c1cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)co1 ZINC000159906859 551573053 /nfs/dbraw/zinc/57/30/53/551573053.db2.gz BTJDXFBPQCDAKT-UHFFFAOYSA-N 0 0 398.853 2.612 20 70 GFIDRN Cc1cc(Cl)ccc1S(=O)(=O)N(C)C[C@@H](O)COCc1ccccc1 ZINC000159904021 551573127 /nfs/dbraw/zinc/57/31/27/551573127.db2.gz VPIAWWYMCYBBKM-QGZVFWFLSA-N 0 0 383.897 2.847 20 70 GFIDRN CC(C)(O)[C@H]1CCCN1C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000159938061 551573225 /nfs/dbraw/zinc/57/32/25/551573225.db2.gz NFNVUOSSNVIJQA-SWLSCSKDSA-N 0 0 395.297 2.564 20 70 GFIDRN O=C(CNC(=O)c1ccc(Br)cc1)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000159929518 551573264 /nfs/dbraw/zinc/57/32/64/551573264.db2.gz PCGIPFSXFSTOHF-ZHALLVOQSA-N 0 0 399.288 2.881 20 70 GFIDRN CC[C@H](NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O)c1nccs1 ZINC000159977435 551573592 /nfs/dbraw/zinc/57/35/92/551573592.db2.gz LLMSQKYHUAAVNH-HNNXBMFYSA-N 0 0 379.507 2.872 20 70 GFIDRN CC[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O)c1nccs1 ZINC000159977555 551573923 /nfs/dbraw/zinc/57/39/23/551573923.db2.gz LLMSQKYHUAAVNH-OAHLLOKOSA-N 0 0 379.507 2.872 20 70 GFIDRN CCOc1cc(Cl)ccc1CNS(=O)(=O)c1ccc(C(=O)NC)cc1 ZINC000159991091 551574409 /nfs/dbraw/zinc/57/44/09/551574409.db2.gz LUTPSWPKLOITEB-UHFFFAOYSA-N 0 0 382.869 2.577 20 70 GFIDRN O=C(CCCNC(=O)c1cccnc1)Nc1cc(Br)ccc1O ZINC000160049078 551574798 /nfs/dbraw/zinc/57/47/98/551574798.db2.gz NCDMCDDUCSQDPB-UHFFFAOYSA-N 0 0 378.226 2.698 20 70 GFIDRN Cc1cccc2c1N(C(=O)C(=O)N(C)Cc1cc(Br)cn1C)CC2 ZINC000160121563 551575690 /nfs/dbraw/zinc/57/56/90/551575690.db2.gz KYQZQRXGRDMAGQ-UHFFFAOYSA-N 0 0 390.281 2.644 20 70 GFIDRN C[C@H](NC(=O)CS(=O)(=O)C1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000160120277 551575738 /nfs/dbraw/zinc/57/57/38/551575738.db2.gz RDEUXOXJUFQULK-JTQLQIEISA-N 0 0 380.293 2.764 20 70 GFIDRN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000160189139 551576654 /nfs/dbraw/zinc/57/66/54/551576654.db2.gz RXFZVSWSZJGBOK-SNVBAGLBSA-N 0 0 380.293 2.796 20 70 GFIDRN C[C@H](NC(=O)Nc1ccnn1Cc1cccc(Br)c1)c1nc[nH]n1 ZINC000160222728 551577254 /nfs/dbraw/zinc/57/72/54/551577254.db2.gz SUTOQXIZWGSUID-JTQLQIEISA-N 0 0 390.245 2.695 20 70 GFIDRN CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)c2ccc(Br)c(O)c2)C1 ZINC000160229773 551577689 /nfs/dbraw/zinc/57/76/89/551577689.db2.gz RZEVMINWMSPMGB-WCQYABFASA-N 0 0 383.286 2.968 20 70 GFIDRN NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCOC3(CCCCC3)C2)c1 ZINC000160288821 551578244 /nfs/dbraw/zinc/57/82/44/551578244.db2.gz DLJHXJBWQOZGEM-LBPRGKRZSA-N 0 0 386.901 2.599 20 70 GFIDRN O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12)N[C@@H]1CCCc2sccc21 ZINC000160288474 551578406 /nfs/dbraw/zinc/57/84/06/551578406.db2.gz BTFUTDPHNPCWSD-LGWLGOQQSA-N 0 0 379.551 2.968 20 70 GFIDRN Cc1nc(COC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)c(C)s1 ZINC000160347757 551579423 /nfs/dbraw/zinc/57/94/23/551579423.db2.gz LHICADSQIPCGKP-UHFFFAOYSA-N 0 0 384.479 2.803 20 70 GFIDRN Cc1ccc(NC(=O)C(=O)N[C@H](C)Cc2ccc(Br)cc2)cn1 ZINC000160378356 551579629 /nfs/dbraw/zinc/57/96/29/551579629.db2.gz UHAOFWKGPUHMDU-GFCCVEGCSA-N 0 0 376.254 2.838 20 70 GFIDRN Cc1c(Cl)cc(NC(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)cc1Cl ZINC000160393599 551580059 /nfs/dbraw/zinc/58/00/59/551580059.db2.gz FONGLYFYUHBUQG-UHFFFAOYSA-N 0 0 385.251 2.850 20 70 GFIDRN O=C1[C@@H](Sc2nnnn2CC(F)(F)F)CCCN1c1ccccc1F ZINC000160479474 551581135 /nfs/dbraw/zinc/58/11/35/551581135.db2.gz QVQWTBSJEHNPIA-NSHDSACASA-N 0 0 375.351 2.662 20 70 GFIDRN COCCN(CC(C)C)S(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000160501961 551581630 /nfs/dbraw/zinc/58/16/30/551581630.db2.gz ROMDMPLXQYCAMV-UHFFFAOYSA-N 0 0 393.347 2.808 20 70 GFIDRN Cc1cc(COc2ccc(C(=O)NC3(CO)CC3)cc2Br)no1 ZINC000160516774 551581788 /nfs/dbraw/zinc/58/17/88/551581788.db2.gz MNZFVTFLUJHLST-UHFFFAOYSA-N 0 0 381.226 2.579 20 70 GFIDRN O=C1NCCN(Cc2nc3cc(Br)ccc3[nH]2)[C@H]1c1ccccc1 ZINC000160593705 551582673 /nfs/dbraw/zinc/58/26/73/551582673.db2.gz OOHWXVUQQCBBBP-KRWDZBQOSA-N 0 0 385.265 2.999 20 70 GFIDRN COc1ccc(NS(=O)(=O)c2ccc(OC)c(Br)c2)c(C)n1 ZINC000160671210 551583700 /nfs/dbraw/zinc/58/37/00/551583700.db2.gz UBPYBLZUEBSISS-UHFFFAOYSA-N 0 0 387.255 2.971 20 70 GFIDRN CC(C)CSCCCNC(=O)CCn1cc(Br)ccc1=O ZINC000160648714 551583870 /nfs/dbraw/zinc/58/38/70/551583870.db2.gz IRSFDGJPTWLLND-UHFFFAOYSA-N 0 0 375.332 2.896 20 70 GFIDRN CCOC(=O)C[C@H](C)NC(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000160675984 551584159 /nfs/dbraw/zinc/58/41/59/551584159.db2.gz WTHAMNNEZBQVKE-JTQLQIEISA-N 0 0 380.242 2.911 20 70 GFIDRN Cc1ccc([C@H](CNC(=O)c2csc(S(C)(=O)=O)c2)N2CCCC2)o1 ZINC000160748974 551584728 /nfs/dbraw/zinc/58/47/28/551584728.db2.gz BCQSZTLYYSQCCA-AWEZNQCLSA-N 0 0 382.507 2.620 20 70 GFIDRN CCC(=O)c1cccc(NC(=O)CNS(=O)(=O)c2ccc(Cl)s2)c1 ZINC000160725533 551585042 /nfs/dbraw/zinc/58/50/42/551585042.db2.gz PLIYRTIYPMPFLZ-UHFFFAOYSA-N 0 0 386.882 2.911 20 70 GFIDRN CC[C@@H](CS(=O)(=O)c1ccccc1)NS(=O)(=O)c1ccc(Cl)s1 ZINC000160843033 551585859 /nfs/dbraw/zinc/58/58/59/551585859.db2.gz IAFYIGRRWOEMHX-NSHDSACASA-N 0 0 393.939 2.932 20 70 GFIDRN C[C@H](O)C1CCN(S(=O)(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000160874423 551586938 /nfs/dbraw/zinc/58/69/38/551586938.db2.gz YDHMJOXTXDWKAA-QMMMGPOBSA-N 0 0 384.242 2.509 20 70 GFIDRN CCn1c(=O)c2cc(Br)ccc2nc1SCc1nnc(C)n1C ZINC000160976639 551588558 /nfs/dbraw/zinc/58/85/58/551588558.db2.gz SPJRLWLYMYSIJW-UHFFFAOYSA-N 0 0 394.298 2.908 20 70 GFIDRN Cc1cnc(C(C)(C)NS(=O)(=O)CCC(=O)OCc2ccccc2)s1 ZINC000160990989 551588720 /nfs/dbraw/zinc/58/87/20/551588720.db2.gz YWNYKSNFURNYRO-UHFFFAOYSA-N 0 0 382.507 2.740 20 70 GFIDRN CC(C)C[C@@H](CO)NC(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000161029429 551589280 /nfs/dbraw/zinc/58/92/80/551589280.db2.gz NSWJIZSCYLVEJK-RCDICMHDSA-N 0 0 390.343 2.860 20 70 GFIDRN Cc1ccc(S(=O)(=O)NC[C@H](O)Cc2ccccc2)cc1Br ZINC000161055331 551589606 /nfs/dbraw/zinc/58/96/06/551589606.db2.gz IYUGXWCGLGCPDI-CQSZACIVSA-N 0 0 384.295 2.639 20 70 GFIDRN Cc1cc(S(=O)(=O)NC[C@@H](O)Cc2ccccc2)sc1Br ZINC000161055946 551589757 /nfs/dbraw/zinc/58/97/57/551589757.db2.gz NHUCIZLTLGJNIT-LBPRGKRZSA-N 0 0 390.324 2.701 20 70 GFIDRN CS(=O)(=O)c1csc(C(=O)NCCCCOCCc2ccccc2)c1 ZINC000161100706 551590173 /nfs/dbraw/zinc/59/01/73/551590173.db2.gz FBJWMEJHUVENRN-UHFFFAOYSA-N 0 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551572163 /nfs/dbraw/zinc/57/21/63/551572163.db2.gz QDIOJDJEMKZFSJ-GFCCVEGCSA-N 0 0 385.511 2.639 20 70 GFIDRN COC(=O)C[C@H](C)C(=O)N1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000159872803 551572696 /nfs/dbraw/zinc/57/26/96/551572696.db2.gz VXVQBMASFRBQIV-OZVIIMIRSA-N 0 0 384.270 2.937 20 70 GFIDRN CCS(=O)(=O)CCNC(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000159918294 551573031 /nfs/dbraw/zinc/57/30/31/551573031.db2.gz GAQPZYQRNQPMIC-UHFFFAOYSA-N 0 0 388.205 2.632 20 70 GFIDRN O=C(NC[C@@H]1CCCS1(=O)=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000159980085 551573606 /nfs/dbraw/zinc/57/36/06/551573606.db2.gz DNYUJNGTRQJUKL-LBPRGKRZSA-N 0 0 377.293 2.638 20 70 GFIDRN CC1(C)CN(C(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)CCS1(=O)=O ZINC000159953669 551573618 /nfs/dbraw/zinc/57/36/18/551573618.db2.gz KJVWIXGXWRYVFY-ZIAGYGMSSA-N 0 0 386.311 2.588 20 70 GFIDRN O=S(=O)(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)C1CCOCC1 ZINC000160043468 551574790 /nfs/dbraw/zinc/57/47/90/551574790.db2.gz PUUULDDXWBPJTA-UHFFFAOYSA-N 0 0 376.356 2.849 20 70 GFIDRN 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COc1ccc(C(=O)NCCNC(=O)c2cccc(C)c2Br)cc1 ZINC000160334517 551579389 /nfs/dbraw/zinc/57/93/89/551579389.db2.gz VFXAJEHXHJZVSN-UHFFFAOYSA-N 0 0 391.265 2.926 20 70 GFIDRN Cc1nc(-c2cccs2)sc1C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000160392193 551579770 /nfs/dbraw/zinc/57/97/70/551579770.db2.gz VZMAUMDUIABZEK-NEPJUHHUSA-N 0 0 399.563 2.628 20 70 GFIDRN CCOC(=O)C[C@H](C)NC(=O)c1ccc(I)c(F)c1 ZINC000160445558 551580686 /nfs/dbraw/zinc/58/06/86/551580686.db2.gz AXWKQAXKIUXQAY-QMMMGPOBSA-N 0 0 379.169 2.502 20 70 GFIDRN CS(=O)(=O)N1CC[C@@H](CNC(=O)Nc2ccccc2-c2cccs2)C1 ZINC000160462307 551581073 /nfs/dbraw/zinc/58/10/73/551581073.db2.gz RCTAZGJKUPMQLV-ZDUSSCGKSA-N 0 0 379.507 2.818 20 70 GFIDRN COc1cccc(Cl)c1CC(=O)N[C@H](CS(C)(=O)=O)c1ccccc1 ZINC000160487698 551581177 /nfs/dbraw/zinc/58/11/77/551581177.db2.gz SGIAASDIYFDUST-MRXNPFEDSA-N 0 0 381.881 2.793 20 70 GFIDRN COCC(C)(C)C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000160501783 551581764 /nfs/dbraw/zinc/58/17/64/551581764.db2.gz 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ZINC000161227141 551591829 /nfs/dbraw/zinc/59/18/29/551591829.db2.gz KXXGVETUIWFLKL-TVQRCGJNSA-N 0 0 376.682 2.943 20 70 GFIDRN Cc1noc(Cl)c1CC(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000161221079 551591840 /nfs/dbraw/zinc/59/18/40/551591840.db2.gz COISMGQQSKYSBB-UHFFFAOYSA-N 0 0 387.617 2.987 20 70 GFIDRN COC[C@@H](O)CCNC(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000161282806 551592151 /nfs/dbraw/zinc/59/21/51/551592151.db2.gz FFHWJLZUNVRXEV-ZDUSSCGKSA-N 0 0 398.253 2.748 20 70 GFIDRN NC(=O)c1cc(NC(=O)NCc2ccc(O)c(Br)c2)ccc1F ZINC000161269687 551592382 /nfs/dbraw/zinc/59/23/82/551592382.db2.gz HFVYTNRHMLPGHD-UHFFFAOYSA-N 0 0 382.189 2.714 20 70 GFIDRN CC[C@@H](c1ccncc1)N(C)C(=O)C(=O)Nc1ccc(Br)nc1 ZINC000161251323 551592389 /nfs/dbraw/zinc/59/23/89/551592389.db2.gz GWCGJNVJNPXACE-ZDUSSCGKSA-N 0 0 377.242 2.787 20 70 GFIDRN O=C(CCCn1c(=O)onc1-c1ncccn1)c1ccc(Br)cc1 ZINC000161330841 551592886 /nfs/dbraw/zinc/59/28/86/551592886.db2.gz RKRGDCQSMOHKCF-UHFFFAOYSA-N 0 0 389.209 2.719 20 70 GFIDRN COC(=O)c1ncsc1S(=O)(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000161458264 551594213 /nfs/dbraw/zinc/59/42/13/551594213.db2.gz YBNCCZMBWXRNAE-UHFFFAOYSA-N 0 0 384.454 2.670 20 70 GFIDRN CC[C@@H](C(=O)NCCNS(=O)(=O)c1ccc(C)s1)c1ccc(F)cc1 ZINC000161437715 551594385 /nfs/dbraw/zinc/59/43/85/551594385.db2.gz ZBEKKBJDIOMUKP-OAHLLOKOSA-N 0 0 384.498 2.784 20 70 GFIDRN Cc1cc(C[C@@H](C)NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)[nH]n1 ZINC000161479538 551594934 /nfs/dbraw/zinc/59/49/34/551594934.db2.gz ATUKOKUCRBMYAS-SECBINFHSA-N 0 0 389.253 2.683 20 70 GFIDRN CC(C)COCCCNC(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000161497127 551594972 /nfs/dbraw/zinc/59/49/72/551594972.db2.gz HTTLAMOZIDCQES-HNNXBMFYSA-N 0 0 388.917 2.873 20 70 GFIDRN