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CC(C)C(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 ZINC001493682827 1070333013 /nfs/dbraw/zinc/33/30/13/1070333013.db2.gz ULGGTBNWMAOEAU-UXHICEINSA-N 0 1 494.706 1.995 20 0 JDADMN CC(C)C(=O)NCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC[C@@H](C)C1 ZINC001493680745 1070333074 /nfs/dbraw/zinc/33/30/74/1070333074.db2.gz HDFRJEYXHPRYTM-RTBURBONSA-N 0 1 482.695 1.899 20 0 JDADMN C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)N1CCC[C@@H](C)C1 ZINC001493688984 1070335444 /nfs/dbraw/zinc/33/54/44/1070335444.db2.gz GZCGFPZILPWWEK-UYTYNIKBSA-N 0 1 492.712 1.267 20 0 JDADMN CCNC(=O)C1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CCOC)[C@H](CC)C2)CCC1 ZINC001502401787 1070345430 /nfs/dbraw/zinc/34/54/30/1070345430.db2.gz YQQYFSSQCIEFGB-QZTJIDSGSA-N 0 1 461.611 1.083 20 0 JDADMN CCNC(=O)C1(Cn2c(CC)nnc2N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)CCC1 ZINC001502402269 1070346271 /nfs/dbraw/zinc/34/62/71/1070346271.db2.gz DTACLLQIAUJLCS-HXUWFJFHSA-N 0 1 461.655 1.378 20 0 JDADMN C[C@@H]1CCCN(CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCNC(=O)CC2)C1 ZINC001493795538 1070347518 /nfs/dbraw/zinc/34/75/18/1070347518.db2.gz CLMQIHWIZMDBOP-QGZVFWFLSA-N 0 1 460.604 1.407 20 0 JDADMN CCNC(=O)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(CCOC)[C@@H](C)C2)cc1 ZINC001502410412 1070348226 /nfs/dbraw/zinc/34/82/26/1070348226.db2.gz HIEBOQMYVILYAT-IBGZPJMESA-N 0 1 483.617 1.469 20 0 JDADMN C[C@@H]1CCCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C(N)=O)c2)C1 ZINC001493803826 1070350597 /nfs/dbraw/zinc/35/05/97/1070350597.db2.gz BKZIMBOSBNHKKD-YLJYHZDGSA-N 0 1 474.631 1.647 20 0 JDADMN C[C@H]1CCCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C(N)=O)c2)C1 ZINC001493803817 1070350744 /nfs/dbraw/zinc/35/07/44/1070350744.db2.gz BKZIMBOSBNHKKD-FXAWDEMLSA-N 0 1 474.631 1.647 20 0 JDADMN C[C@@H]1CCCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CCCO)CC2)C1 ZINC001493804034 1070351240 /nfs/dbraw/zinc/35/12/40/1070351240.db2.gz BYTGQMYAENOIBC-UYAOXDASSA-N 0 1 453.653 1.901 20 0 JDADMN C[C@@H]1CCCN1CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCS(=O)(=O)CC1 ZINC001493843331 1070357504 /nfs/dbraw/zinc/35/75/04/1070357504.db2.gz OPNFKUGADKLICD-CYBMUJFWSA-N 0 1 457.398 1.755 20 0 JDADMN C[C@H]1CCCN1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001493844785 1070358057 /nfs/dbraw/zinc/35/80/57/1070358057.db2.gz HTZLDBBCEIJYRC-KSZLIROESA-N 0 1 482.651 1.768 20 0 JDADMN C[C@@H]1CCCN1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOC(C)(C)C1 ZINC001493843657 1070358116 /nfs/dbraw/zinc/35/81/16/1070358116.db2.gz DDBDVJCLWQQBDJ-RTBURBONSA-N 0 1 468.668 1.212 20 0 JDADMN CCNC(=O)CN1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(N3CCN(CC)CC3)nc2)CC1 ZINC001502423041 1070365805 /nfs/dbraw/zinc/36/58/05/1070365805.db2.gz RSEUNWOVDKIJIU-OAQYLSRUSA-N 0 1 497.692 1.635 20 0 JDADMN CCNC(=O)CN1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(N3CCN(CC)CC3)nc2)CC1 ZINC001502423040 1070365954 /nfs/dbraw/zinc/36/59/54/1070365954.db2.gz RSEUNWOVDKIJIU-NRFANRHFSA-N 0 1 497.692 1.635 20 0 JDADMN C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)F)CC1)N1CCC(C)CC1 ZINC001493868023 1070367547 /nfs/dbraw/zinc/36/75/47/1070367547.db2.gz ZFGAHDSVYVAEHR-ZWKOTPCHSA-N 0 1 474.622 1.688 20 0 JDADMN CCNC(=O)CN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 ZINC001502425093 1070372286 /nfs/dbraw/zinc/37/22/86/1070372286.db2.gz ZOIRWPLZAJGVMU-HSZRJFAPSA-N 0 1 499.660 1.569 20 0 JDADMN CCNC(=O)CN1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](C(C)C)N2CCOCC2)CC1 ZINC001502427144 1070376546 /nfs/dbraw/zinc/37/65/46/1070376546.db2.gz ZSAGBNGCMIKAAK-QHCPKHFHSA-N 0 1 483.661 1.868 20 0 JDADMN C[C@H]1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCCNS(C)(=O)=O)[C@H]1C ZINC001494015784 1070378962 /nfs/dbraw/zinc/37/89/62/1070378962.db2.gz KVLURRSWVAQRFF-SFTDATJTSA-N 0 1 489.690 1.817 20 0 JDADMN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[C@@H]32)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC001494089011 1070390565 /nfs/dbraw/zinc/39/05/65/1070390565.db2.gz ZWCSVLDDSDZYJX-ZBRFXRBCSA-N 0 1 454.641 1.765 20 0 JDADMN C[C@@H]1CN(C(C)(C)Cn2c([C@H]3CCOC3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC001494093380 1070390610 /nfs/dbraw/zinc/39/06/10/1070390610.db2.gz AFZDZUFXIAFQSV-QRVBRYPASA-N 0 1 498.694 1.530 20 0 JDADMN C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCOC2)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001494085564 1070387828 /nfs/dbraw/zinc/38/78/28/1070387828.db2.gz HQUSNKASBYKFLJ-VVLHAWIVSA-N 0 1 458.629 1.001 20 0 JDADMN C[C@H](NS(C)(=O)=O)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC001494088067 1070388927 /nfs/dbraw/zinc/38/89/27/1070388927.db2.gz RQLHVOKXAWNRGQ-MLHJIOFPSA-N 0 1 486.683 1.780 20 0 JDADMN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCn2cccn2)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001494088948 1070390168 /nfs/dbraw/zinc/39/01/68/1070390168.db2.gz ZCHAQSNPQHXVHX-FGTMMUONSA-N 0 1 482.655 1.109 20 0 JDADMN C[C@@H]1CN(C(C)(C)Cn2c(-c3ccc[nH]3)nnc2N2CCC(NS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC001494096650 1070392064 /nfs/dbraw/zinc/39/20/64/1070392064.db2.gz OBQKHXPXBVVPFZ-CALCHBBNSA-N 0 1 479.651 1.679 20 0 JDADMN C[C@H](CC(N)=O)N(C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC001494097442 1070392394 /nfs/dbraw/zinc/39/23/94/1070392394.db2.gz UQQUIUKUVKMAQJ-BZUAXINKSA-N 0 1 475.594 1.594 20 0 JDADMN C[C@@H]1CN(C(C)(C)Cn2c([C@H]3CCCO3)nnc2N2CCCN(S(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC001494097702 1070393104 /nfs/dbraw/zinc/39/31/04/1070393104.db2.gz AVFCGWYLOYRWPQ-GUDVDZBRSA-N 0 1 484.667 1.489 20 0 JDADMN C[C@@H]1CN(C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CCN2CCOCC2)C[C@H](C)O1 ZINC001494097845 1070393317 /nfs/dbraw/zinc/39/33/17/1070393317.db2.gz XSCRPGAYFIUXHE-QHAWAJNXSA-N 0 1 464.655 1.828 20 0 JDADMN CCNC(=O)CN1CCN(c2nnc(CC3CCCC3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001502434857 1070393636 /nfs/dbraw/zinc/39/36/36/1070393636.db2.gz OPWSPNIMTBFUBH-NHCUHLMSSA-N 0 1 475.682 1.768 20 0 JDADMN C[C@@H]1CN(C)C(=O)CN1c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001494097850 1070393722 /nfs/dbraw/zinc/39/37/22/1070393722.db2.gz BWPNWUPIDHTEAD-VQIMIIECSA-N 0 1 457.554 1.623 20 0 JDADMN C[C@@H]1CN(C(C)(C)Cn2c([C@H]3CCCO3)nnc2N2CCCN(S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC001494097700 1070393831 /nfs/dbraw/zinc/39/38/31/1070393831.db2.gz AVFCGWYLOYRWPQ-CEXWTWQISA-N 0 1 484.667 1.489 20 0 JDADMN C[C@@H]1CN(C)C(=O)CN1c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001494097840 1070393867 /nfs/dbraw/zinc/39/38/67/1070393867.db2.gz BWPNWUPIDHTEAD-APWZRJJASA-N 0 1 457.554 1.623 20 0 JDADMN CCNC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCc3ccccc3C2)CC1 ZINC001502438684 1070409841 /nfs/dbraw/zinc/40/98/41/1070409841.db2.gz QXXOCWGCZXMKKM-UHFFFAOYSA-N 0 1 468.606 1.326 20 0 JDADMN C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccccc2F)n1CCCCN1CCOCC1 ZINC001494129794 1070419589 /nfs/dbraw/zinc/41/95/89/1070419589.db2.gz RITQNYPDYINHBT-GOSISDBHSA-N 0 1 460.554 1.776 20 0 JDADMN Cc1ccc(OCC(=O)N2CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(=O)CC(C)C)CC2)cc1 ZINC001546278314 1070453907 /nfs/dbraw/zinc/45/39/07/1070453907.db2.gz CPRMICWWIAZMKY-OAQYLSRUSA-N 0 1 455.559 1.541 20 0 JDADMN Cc1ccc(OCC(=O)N2CCN(C(=O)[C@H](Cc3cnc[nH]3)NC(=O)CC(C)C)CC2)cc1 ZINC001546278313 1070454098 /nfs/dbraw/zinc/45/40/98/1070454098.db2.gz CPRMICWWIAZMKY-NRFANRHFSA-N 0 1 455.559 1.541 20 0 JDADMN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@]3(CCOC3)C2)n1C[C@@H](c1ccco1)N(C)C ZINC001494191448 1070466208 /nfs/dbraw/zinc/46/62/08/1070466208.db2.gz JRVQIDDNOMKENU-MXTNKPTQSA-N 0 1 482.607 1.168 20 0 JDADMN CCNC(=O)N1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCc2nc(C)n[nH]2)CC1 ZINC001502459135 1070473721 /nfs/dbraw/zinc/47/37/21/1070473721.db2.gz PDSAZQHSMMHERI-UHFFFAOYSA-N 0 1 467.578 1.593 20 0 JDADMN CCNC(=O)N1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCc2nnc(C)[nH]2)CC1 ZINC001502459135 1070473727 /nfs/dbraw/zinc/47/37/27/1070473727.db2.gz PDSAZQHSMMHERI-UHFFFAOYSA-N 0 1 467.578 1.593 20 0 JDADMN CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccccc2)N(C)C)C1 ZINC001502463200 1070487334 /nfs/dbraw/zinc/48/73/34/1070487334.db2.gz GTZHXJWFUYAYRK-OALUTQOASA-N 0 1 477.635 1.237 20 0 JDADMN C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCSCC2)CC(=O)N1C ZINC001494215324 1070497243 /nfs/dbraw/zinc/49/72/43/1070497243.db2.gz MUUPEFYJIYFSNY-CYBMUJFWSA-N 0 1 468.425 1.751 20 0 JDADMN C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCSCC2)CC(=O)N1C ZINC001494215325 1070499266 /nfs/dbraw/zinc/49/92/66/1070499266.db2.gz MUUPEFYJIYFSNY-ZDUSSCGKSA-N 0 1 468.425 1.751 20 0 JDADMN C[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCCCN2CCOCC2)CC(=O)N1C ZINC001494216853 1070499781 /nfs/dbraw/zinc/49/97/81/1070499781.db2.gz ZBGUZBOCGMAESV-INIZCTEOSA-N 0 1 494.438 1.825 20 0 JDADMN C[C@H](NC(=O)CNS(=O)(=O)c1ccccc1F)c1cc(F)ccc1N1CCN(C)CC1 ZINC001546239565 1070526578 /nfs/dbraw/zinc/52/65/78/1070526578.db2.gz VJEHPENMNBKCFM-HNNXBMFYSA-N 0 1 452.527 1.872 20 0 JDADMN CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001502472446 1070535400 /nfs/dbraw/zinc/53/54/00/1070535400.db2.gz UPKBWOGLCYAEPW-OTWHNJEPSA-N 0 1 493.678 1.689 20 0 JDADMN C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCOCC2)CCN1C(=O)OC(C)(C)C ZINC001494321362 1070536612 /nfs/dbraw/zinc/53/66/12/1070536612.db2.gz MYMPQSAWTAWVDR-RTBURBONSA-N 0 1 491.637 1.787 20 0 JDADMN CC(C)N1CCC(O)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001494342842 1070550404 /nfs/dbraw/zinc/55/04/04/1070550404.db2.gz HJUMRYODRDZNBY-FGTMMUONSA-N 0 1 455.625 1.029 20 0 JDADMN C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)C(C)(C)C)CCN(C2CCC2)C1 ZINC001494344725 1070554690 /nfs/dbraw/zinc/55/46/90/1070554690.db2.gz LJDBHMKIHCRTAD-ZWKOTPCHSA-N 0 1 480.679 1.653 20 0 JDADMN CC(C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC001494350736 1070563317 /nfs/dbraw/zinc/56/33/17/1070563317.db2.gz YNNGNOFYXMHABP-NEYJZJCJSA-N 0 1 455.625 1.293 20 0 JDADMN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CN(CC(C)C)CCO2)C1 ZINC001502480773 1070576524 /nfs/dbraw/zinc/57/65/24/1070576524.db2.gz VZOWBXDFYKIVNV-WOJBJXKFSA-N 0 1 496.703 1.805 20 0 JDADMN C[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2cccc(F)c2)N(C)C)CC(=O)N1C ZINC001494453012 1070589397 /nfs/dbraw/zinc/58/93/97/1070589397.db2.gz FHYHSNJJFRRHIO-LPHOPBHVSA-N 0 1 457.554 1.509 20 0 JDADMN C[C@@H]1CN(CCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCNC(=O)C2)C[C@@H](C)O1 ZINC001494517939 1070609286 /nfs/dbraw/zinc/60/92/86/1070609286.db2.gz GCTJYBSAWWZDRM-ZIAGYGMSSA-N 0 1 466.384 1.471 20 0 JDADMN C[C@@H]1CN(CCCn2c(C(=O)N3CCCC3)nnc2N2CCN(CC(F)F)CC2)C[C@H](C)O1 ZINC001494517477 1070609381 /nfs/dbraw/zinc/60/93/81/1070609381.db2.gz DVTPVVBHCDVMTO-HDICACEKSA-N 0 1 469.581 1.401 20 0 JDADMN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1CCCN1C[C@@H](C)O[C@H](C)C1 ZINC001494520325 1070612603 /nfs/dbraw/zinc/61/26/03/1070612603.db2.gz TTZJQALZGKBVMW-OBKDMQGPSA-N 0 1 484.667 1.393 20 0 JDADMN C[C@H]1CN(CCCn2c(-c3ccccn3)nnc2N2CCN(CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC001494522346 1070614746 /nfs/dbraw/zinc/61/47/46/1070614746.db2.gz CXRKSKZEGWBQOQ-PMACEKPBSA-N 0 1 470.622 1.050 20 0 JDADMN C[C@@H]1CN(CCCn2c(-c3cnccn3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CCCO1 ZINC001494522551 1070615104 /nfs/dbraw/zinc/61/51/04/1070615104.db2.gz FHUAASVQRCSOEI-MSOLQXFVSA-N 0 1 463.608 1.249 20 0 JDADMN C[C@H]1CN(CCCn2c(-c3cnccn3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CCCO1 ZINC001494522554 1070615695 /nfs/dbraw/zinc/61/56/95/1070615695.db2.gz FHUAASVQRCSOEI-ZWKOTPCHSA-N 0 1 463.608 1.249 20 0 JDADMN C[C@@H]1CN(CCCn2c(-c3ccccc3)nnc2N2CCN(S(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC001494525186 1070618557 /nfs/dbraw/zinc/61/85/57/1070618557.db2.gz SOOOYFIAOQRGFV-RTBURBONSA-N 0 1 462.620 1.526 20 0 JDADMN C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cnn(C)c2)n1CCCN1CCCO[C@H](C)C1 ZINC001494525529 1070619000 /nfs/dbraw/zinc/61/90/00/1070619000.db2.gz UHWWCBZEKFVPRJ-IAGOWNOFSA-N 0 1 453.613 1.049 20 0 JDADMN CCOC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(CC)CCC(F)(F)F)CC1 ZINC001502501122 1070619189 /nfs/dbraw/zinc/61/91/89/1070619189.db2.gz ZZMFAEZQXRVYRL-HNNXBMFYSA-N 0 1 475.516 1.782 20 0 JDADMN C[C@@H]1CN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cscn2)CCCO1 ZINC001494528891 1070619677 /nfs/dbraw/zinc/61/96/77/1070619677.db2.gz CRWXEKRBKHYYBO-IAGOWNOFSA-N 0 1 468.649 1.774 20 0 JDADMN C[C@@H]1CN(CCCn2c(CC(C)(C)C)nnc2N2CCN(CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC001494529137 1070621179 /nfs/dbraw/zinc/62/11/79/1070621179.db2.gz GGIHPSROTVQCIB-BGYRXZFFSA-N 0 1 463.671 1.576 20 0 JDADMN C[C@@H]1CN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)CCCO1 ZINC001494529682 1070623518 /nfs/dbraw/zinc/62/35/18/1070623518.db2.gz KOFIQEJKSAPLIZ-QYZOEREBSA-N 0 1 482.651 1.134 20 0 JDADMN C[C@@H]1CN(CCCn2c(CC(C)(C)C)nnc2N2CCN(S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC001494531361 1070624758 /nfs/dbraw/zinc/62/47/58/1070624758.db2.gz SNUOYBLPYNFGAC-HDICACEKSA-N 0 1 456.657 1.448 20 0 JDADMN C[C@@H]1CN(CCCn2c([C@@H]3CCCCO3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CCCO1 ZINC001494530645 1070624772 /nfs/dbraw/zinc/62/47/72/1070624772.db2.gz PMYWPQHVRXKLMI-QRVBRYPASA-N 0 1 455.625 1.644 20 0 JDADMN C[C@@H]1CN(CCCn2c(N3CCN(c4ccc(C(N)=O)cn4)CC3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001494547814 1070632172 /nfs/dbraw/zinc/63/21/72/1070632172.db2.gz MPSYLARBFUWZTK-KDURUIRLSA-N 0 1 484.649 1.895 20 0 JDADMN C[C@@H]1CN(CCCn2c(Cc3ccsc3)nnc2N(C)CCS(C)(=O)=O)CCCO1 ZINC001494536015 1070628205 /nfs/dbraw/zinc/62/82/05/1070628205.db2.gz MRLJENIBVLETLT-QGZVFWFLSA-N 0 1 455.650 1.912 20 0 JDADMN C[C@@H]1CN(CCCn2c(CCOc3ccccc3)nnc2N2CCS(=O)(=O)CC2)CCCO1 ZINC001494538088 1070630170 /nfs/dbraw/zinc/63/01/70/1070630170.db2.gz SYVGLHMZXSISSM-HXUWFJFHSA-N 0 1 477.631 1.635 20 0 JDADMN C[C@@H]1CN(CCCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCNC(=O)C2)C[C@H](C)O1 ZINC001494544804 1070631244 /nfs/dbraw/zinc/63/12/44/1070631244.db2.gz DUMBNQSMBPETIB-QGFMHUBQSA-N 0 1 491.637 1.484 20 0 JDADMN C[C@@H]1CN(CCCn2c(N3CCN(c4ccc(C(N)=O)cn4)CC3)nnc2C(C)(C)C)C[C@@H](C)O1 ZINC001494547816 1070632078 /nfs/dbraw/zinc/63/20/78/1070632078.db2.gz MPSYLARBFUWZTK-RTBURBONSA-N 0 1 484.649 1.895 20 0 JDADMN C[C@@H]1CN(CCCn2c(COc3ccc(F)cc3)nnc2N2CC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC001494534434 1070627021 /nfs/dbraw/zinc/62/70/21/1070627021.db2.gz GTGVXJXEUQVKHZ-KSZLIROESA-N 0 1 460.554 1.807 20 0 JDADMN C[C@@H]1CN2CCC[C@H]2CN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C(=O)OC(C)(C)C ZINC001494548200 1070633122 /nfs/dbraw/zinc/63/31/22/1070633122.db2.gz NZLAJKSCFCSZJZ-SQNIBIBYSA-N 0 1 482.651 1.720 20 0 JDADMN C[C@@H]1COCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](c1ccsc1)N(C)C ZINC001494580595 1070643196 /nfs/dbraw/zinc/64/31/96/1070643196.db2.gz RZXZJWHECNIAPV-BPQIPLTHSA-N 0 1 484.648 1.201 20 0 JDADMN CCOC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001502535608 1070662106 /nfs/dbraw/zinc/66/21/06/1070662106.db2.gz FEODIQKQTDNSSW-OAQYLSRUSA-N 0 1 491.681 1.560 20 0 JDADMN C[C@H]1N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(O)CCN(C)C2)CCOC1(C)C ZINC001494631709 1070665438 /nfs/dbraw/zinc/66/54/38/1070665438.db2.gz QPVHEOHEUOYZRT-ZHRRBRCNSA-N 0 1 463.604 1.419 20 0 JDADMN CCO[C@H](CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1)C(C)C ZINC001502590401 1070678073 /nfs/dbraw/zinc/67/80/73/1070678073.db2.gz HMOMPDNRJDHJJO-NJDAHSKKSA-N 0 1 461.655 1.897 20 0 JDADMN CCC(=O)N[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CN(CC(C)C)CCO2)C1 ZINC001494692279 1070702896 /nfs/dbraw/zinc/70/28/96/1070702896.db2.gz WMULUGLHODOWPN-RTBURBONSA-N 0 1 463.627 1.268 20 0 JDADMN CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)N(C)C)C1 ZINC001494699276 1070709745 /nfs/dbraw/zinc/70/97/45/1070709745.db2.gz SSLPXDYQPBDHHH-SJLPKXTDSA-N 0 1 462.620 1.794 20 0 JDADMN CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)N(C)C)C1 ZINC001494699275 1070709845 /nfs/dbraw/zinc/70/98/45/1070709845.db2.gz SSLPXDYQPBDHHH-FUHWJXTLSA-N 0 1 462.620 1.794 20 0 JDADMN CCC(=O)N[C@@H]1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2nc(C)n[nH]2)C1 ZINC001494699692 1070710387 /nfs/dbraw/zinc/71/03/87/1070710387.db2.gz VTFJARNMSYPCQH-VGSWGCGISA-N 0 1 460.583 1.483 20 0 JDADMN CCC(=O)N[C@@H]1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2nnc(C)[nH]2)C1 ZINC001494699692 1070710404 /nfs/dbraw/zinc/71/04/04/1070710404.db2.gz VTFJARNMSYPCQH-VGSWGCGISA-N 0 1 460.583 1.483 20 0 JDADMN CCO[C@@]1(c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2CCc2nc(C)n[nH]2)CCOC1 ZINC001502641726 1070717989 /nfs/dbraw/zinc/71/79/89/1070717989.db2.gz YYCRXDPONDTEEQ-IBGZPJMESA-N 0 1 483.499 1.988 20 0 JDADMN CCO[C@@]1(c2nnc(N(C)Cc3cn(C)nc3C(F)(F)F)n2CCc2nnc(C)[nH]2)CCOC1 ZINC001502641726 1070718007 /nfs/dbraw/zinc/71/80/07/1070718007.db2.gz YYCRXDPONDTEEQ-IBGZPJMESA-N 0 1 483.499 1.988 20 0 JDADMN CCO[C@]1(c2nnc(N(C)Cc3cnn(C)c3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CCOC1 ZINC001502641718 1070718320 /nfs/dbraw/zinc/71/83/20/1070718320.db2.gz YXPJSQSJVXANBB-DNVFCKCGSA-N 0 1 461.611 1.799 20 0 JDADMN CC[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C ZINC001494771191 1070737079 /nfs/dbraw/zinc/73/70/79/1070737079.db2.gz AJHSVRDXFPFBKI-SPEDKVCISA-N 0 1 464.636 1.760 20 0 JDADMN CCO[C@@]1(c2nnc(N3C[C@@H](OC)C(C)(C)C3)n2CCCCN2CCOCC2)CCOC1 ZINC001502666559 1070745592 /nfs/dbraw/zinc/74/55/92/1070745592.db2.gz JFCPEMYHICAOQM-XXBNENTESA-N 0 1 451.612 1.904 20 0 JDADMN CCO[C@]1(c2nnc(N3CCC(C(=O)NC)CC3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CCOC1 ZINC001502668139 1070747906 /nfs/dbraw/zinc/74/79/06/1070747906.db2.gz BXAODFPDCZONLK-KHCICDEESA-N 0 1 478.638 1.392 20 0 JDADMN CCO[C@@]1(c2nnc(N3CCC(CC(=O)NC)CC3)n2CCN2CCSCC2)CCOC1 ZINC001502678155 1070764416 /nfs/dbraw/zinc/76/44/16/1070764416.db2.gz HNSVXHRPIMUPMT-QFIPXVFZSA-N 0 1 466.652 1.332 20 0 JDADMN CCO[C@]1(c2nnc(N3CC[C@H](N4CCN(CC)CC4)C3)n2CC(O)(CC)CC)CCOC1 ZINC001502681035 1070770926 /nfs/dbraw/zinc/77/09/26/1070770926.db2.gz AZYFQZLXIHDCQU-GBXCKJPGSA-N 0 1 464.655 1.698 20 0 JDADMN CCO[C@]1(c2nnc(N3CC[C@@H](N4CCN(CC)CC4)C3)n2CCCC(=O)N(C)C)CCOC1 ZINC001502681886 1070775089 /nfs/dbraw/zinc/77/50/89/1070775089.db2.gz QMLVCQBNUHVENZ-HYBUGGRVSA-N 0 1 477.654 1.015 20 0 JDADMN CC[C@@H](C)[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2cnn(C)c2)CC1 ZINC001494933533 1070778585 /nfs/dbraw/zinc/77/85/85/1070778585.db2.gz LVHTZTXVGZCVRI-DVECYGJZSA-N 0 1 472.638 1.643 20 0 JDADMN CC[C@@H](C)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2cnn(C)c2)CC1)OC ZINC001494957684 1070782677 /nfs/dbraw/zinc/78/26/77/1070782677.db2.gz JIFGPYFIKFVQLE-UYAOXDASSA-N 0 1 460.627 1.923 20 0 JDADMN CCO[C@]1(c2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CCN2CCCCCC2)CCOC1 ZINC001502684787 1070789520 /nfs/dbraw/zinc/78/95/20/1070789520.db2.gz LECCXXNHWWFQEQ-WIYYLYMNSA-N 0 1 455.625 1.430 20 0 JDADMN COC1(C)CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccco2)N2CCCC2)C1 ZINC001504031546 1070793130 /nfs/dbraw/zinc/79/31/30/1070793130.db2.gz ISSGGPHGOQNJNX-HOTGVXAUSA-N 0 1 452.581 1.544 20 0 JDADMN COC1(C)CN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N2CCN(c3ccccc3)CC2)C1 ZINC001504032336 1070794863 /nfs/dbraw/zinc/79/48/63/1070794863.db2.gz WOOARGKSAYJWKA-IBGZPJMESA-N 0 1 455.607 1.852 20 0 JDADMN CCO[C@]1(c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@H]2CN(CC(C)C)CCO2)CCOC1 ZINC001502691421 1070803072 /nfs/dbraw/zinc/80/30/72/1070803072.db2.gz UUSDSUBNUDOXJH-YOSAUDMPSA-N 0 1 478.638 1.379 20 0 JDADMN CO[C@]1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(Cc3ccccc3)C[C@H]2C)CCOC1 ZINC001504046029 1070803788 /nfs/dbraw/zinc/80/37/88/1070803788.db2.gz BDXJWUVZHLLYKT-PWHSHALESA-N 0 1 492.646 1.405 20 0 JDADMN CCO[C@@]1(c2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CCCN2CCCC2)CCOC1 ZINC001502699756 1070809921 /nfs/dbraw/zinc/80/99/21/1070809921.db2.gz KTJJBRLAWZYWKH-KNQAVFIVSA-N 0 1 469.652 1.820 20 0 JDADMN CCO[C@@]1(c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CCN2CC=CCC2)CCOC1 ZINC001502693911 1070806462 /nfs/dbraw/zinc/80/64/62/1070806462.db2.gz VFACMWARLXHTPJ-RDPSFJRHSA-N 0 1 460.623 1.933 20 0 JDADMN CCO[C@@]1(c2nnc(N3CCC[C@H](NC(C)=O)C3)n2CCCCN2CCOCC2)CCOC1 ZINC001502694132 1070807253 /nfs/dbraw/zinc/80/72/53/1070807253.db2.gz XQYPFNDFRLEOCB-REWPJTCUSA-N 0 1 464.611 1.148 20 0 JDADMN CCO[C@]1(c2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CCc2nc(C)n[nH]2)CCOC1 ZINC001502698459 1070809576 /nfs/dbraw/zinc/80/95/76/1070809576.db2.gz BWCUIBXTCVMYHO-OXQOHEQNSA-N 0 1 467.596 1.003 20 0 JDADMN CCO[C@]1(c2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CCc2nnc(C)[nH]2)CCOC1 ZINC001502698459 1070809579 /nfs/dbraw/zinc/80/95/79/1070809579.db2.gz BWCUIBXTCVMYHO-OXQOHEQNSA-N 0 1 467.596 1.003 20 0 JDADMN CCO[C@]1(c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@H](CC(C)C)N(C)C)CCOC1 ZINC001502695109 1070808197 /nfs/dbraw/zinc/80/81/97/1070808197.db2.gz JFKGGTIPTZRPFV-CNNODRBYSA-N 0 1 471.668 1.920 20 0 JDADMN CCO[C@@]1(c2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CCN(C)C(C)C)CCOC1 ZINC001502699664 1070809997 /nfs/dbraw/zinc/80/99/97/1070809997.db2.gz JJZLBHIBKVCTBX-NQIIRXRSSA-N 0 1 457.641 1.674 20 0 JDADMN CCO[C@@]1(c2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CCCN2CCCC2)CCOC1 ZINC001502699758 1070810039 /nfs/dbraw/zinc/81/00/39/1070810039.db2.gz KTJJBRLAWZYWKH-UGKGYDQZSA-N 0 1 469.652 1.820 20 0 JDADMN CC[C@H](C)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C[C@@H](c1ccco1)N(C)C ZINC001495664289 1070811705 /nfs/dbraw/zinc/81/17/05/1070811705.db2.gz HXUWTQXNKADQKB-OALUTQOASA-N 0 1 487.605 1.195 20 0 JDADMN CC[C@@H](C)c1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1CCS(=O)(=O)NC(C)C ZINC001495664398 1070811866 /nfs/dbraw/zinc/81/18/66/1070811866.db2.gz FYTNOBFVTYPPBJ-MOPGFXCFSA-N 0 1 456.657 1.668 20 0 JDADMN CCO[C@]1(c2nnc(N3CCCO[C@H](C)C3)n2C[C@H]2CN(CC(C)C)CCO2)CCOC1 ZINC001502707961 1070813584 /nfs/dbraw/zinc/81/35/84/1070813584.db2.gz LHRXLUSQYMYMAF-TXTKFYIRSA-N 0 1 451.612 1.902 20 0 JDADMN CC[C@H](C)c1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1C[C@H]1CN(CC(C)C)CCO1 ZINC001495714612 1070817125 /nfs/dbraw/zinc/81/71/25/1070817125.db2.gz FJGQYCNZYUQKMH-TUNNFDKTSA-N 0 1 475.682 1.938 20 0 JDADMN CC[C@H](C)c1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1C[C@@H]1CN(CC(C)C)CCO1 ZINC001495714613 1070817179 /nfs/dbraw/zinc/81/71/79/1070817179.db2.gz FJGQYCNZYUQKMH-VWPQPMDRSA-N 0 1 475.682 1.938 20 0 JDADMN COc1cc(-c2nnc(N3CC[C@]4(CCS(=O)(=O)C4)C3)n2C[C@H](C)N(C)C)cc(OC)c1OC ZINC001504075505 1070820188 /nfs/dbraw/zinc/82/01/88/1070820188.db2.gz XACRFVAIHUXCAQ-HJPURHCSSA-N 0 1 493.630 1.936 20 0 JDADMN COc1cc(-c2nnc(N3CC[C@@]4(CCS(=O)(=O)C4)C3)n2C[C@@H](C)N(C)C)cc(OC)c1OC ZINC001504075511 1070820225 /nfs/dbraw/zinc/82/02/25/1070820225.db2.gz XACRFVAIHUXCAQ-WAIKUNEKSA-N 0 1 493.630 1.936 20 0 JDADMN COc1cc(-c2nnc(N3CCNC(=O)C3)n2CCN2CCSCC2)ccc1OC(C)C ZINC001504078042 1070821928 /nfs/dbraw/zinc/82/19/28/1070821928.db2.gz FTAHGCKNHIDERF-UHFFFAOYSA-N 0 1 460.604 1.726 20 0 JDADMN COc1cc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(CC3CC3)CC2)ccc1C ZINC001504080067 1070822899 /nfs/dbraw/zinc/82/28/99/1070822899.db2.gz AXFJIYQEYIXEIB-SFHVURJKSA-N 0 1 476.647 1.980 20 0 JDADMN COc1cc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(CC3CC3)CC2)ccc1C ZINC001504080052 1070822956 /nfs/dbraw/zinc/82/29/56/1070822956.db2.gz AXFJIYQEYIXEIB-GOSISDBHSA-N 0 1 476.647 1.980 20 0 JDADMN CC[C@@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCN(CC)CCC(F)(F)F ZINC001495848869 1070823446 /nfs/dbraw/zinc/82/34/46/1070823446.db2.gz BQGKMEJRRIXQDD-CABCVRRESA-N 0 1 459.517 1.213 20 0 JDADMN CC[C@H](C)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001495862402 1070826867 /nfs/dbraw/zinc/82/68/67/1070826867.db2.gz NXMICFOPARCSEE-OKYOBFRVSA-N 0 1 461.611 1.764 20 0 JDADMN CCO[C@@]1(c2nnc(N3CCN(CC)[C@@H](C)C3)n2CCNC(=O)Cc2cccc(F)c2)CCOC1 ZINC001502722518 1070830522 /nfs/dbraw/zinc/83/05/22/1070830522.db2.gz MFDJMEAUVNOGFA-DFBJGRDBSA-N 0 1 488.608 1.959 20 0 JDADMN CCO[C@]1(c2nnc(N3CCNC(=O)[C@@H]3CC)n2CCCN2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC001502729539 1070840717 /nfs/dbraw/zinc/84/07/17/1070840717.db2.gz REGGBRBGYDHTEI-QPXQOZNCSA-N 0 1 464.611 1.144 20 0 JDADMN COc1cc(OC)cc(-c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2C[C@H](C)CN2CCOCC2)c1 ZINC001504123109 1070843083 /nfs/dbraw/zinc/84/30/83/1070843083.db2.gz ULGRNKIYLRYXND-MZNJEOGPSA-N 0 1 472.590 1.632 20 0 JDADMN COc1cc(OC)cc(-c2nnc(N3CCN(C(C)=O)CC3)n2CCCCN2CCOCC2)c1 ZINC001504129447 1070847170 /nfs/dbraw/zinc/84/71/70/1070847170.db2.gz FVVSWBJMMCBGIP-UHFFFAOYSA-N 0 1 472.590 1.743 20 0 JDADMN COc1cc(OC)cc(-c2nnc(N3CCN(C)C(=O)C3)n2CCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC001504130724 1070848208 /nfs/dbraw/zinc/84/82/08/1070848208.db2.gz NKXCXPUJRBPHAV-QZTJIDSGSA-N 0 1 472.590 1.740 20 0 JDADMN COc1cc(OC)cc(-c2nnc(N3CCN(C(C)C)CC3)n2CCN2CCCS2(=O)=O)c1 ZINC001504131621 1070849023 /nfs/dbraw/zinc/84/90/23/1070849023.db2.gz SRQQVQYFTUDWLS-UHFFFAOYSA-N 0 1 478.619 1.528 20 0 JDADMN COc1cc2c(cc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)C)CC1)O[C@@H](C)C2 ZINC001504133945 1070850946 /nfs/dbraw/zinc/85/09/46/1070850946.db2.gz SMUUPIYVXKICTB-DLBZAZTESA-N 0 1 492.646 1.799 20 0 JDADMN CCOC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](CN3CCOCC3)C2)CCCC1 ZINC001502749371 1070851141 /nfs/dbraw/zinc/85/11/41/1070851141.db2.gz PLBCWKKBTSFNBN-VQTJNVASSA-N 0 1 498.694 1.786 20 0 JDADMN CCC(CC)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](CNC(C)=O)C1)N1CCOCC1 ZINC001496651680 1070855763 /nfs/dbraw/zinc/85/57/63/1070855763.db2.gz UHDRMEVYCBEPFB-UNMCSNQZSA-N 0 1 473.622 1.752 20 0 JDADMN COc1cc2c(cc1OC)CN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CC=CCC1)CC2 ZINC001504135909 1070852256 /nfs/dbraw/zinc/85/22/56/1070852256.db2.gz UYNWXZGQBBBMTE-QGZVFWFLSA-N 0 1 490.630 1.730 20 0 JDADMN CCC(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CC(N)=O)C1)N1CCOCC1 ZINC001496652924 1070856106 /nfs/dbraw/zinc/85/61/06/1070856106.db2.gz YOKYFGBIWLPSDX-RXVVDRJESA-N 0 1 472.638 1.907 20 0 JDADMN CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(C)=O)C1)N1CCOCC1 ZINC001496663459 1070856442 /nfs/dbraw/zinc/85/64/42/1070856442.db2.gz IUXBYHMLNSFQIY-ACRUOGEOSA-N 0 1 475.638 1.471 20 0 JDADMN COc1ccc(-c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN2CCCO)cc1OC ZINC001504159376 1070859878 /nfs/dbraw/zinc/85/98/78/1070859878.db2.gz ODLCUVJLRDSJPU-RBUKOAKNSA-N 0 1 493.630 1.432 20 0 JDADMN COc1ccc(-c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@@H](C(C)C)N2CCOCC2)cc1 ZINC001504172872 1070864365 /nfs/dbraw/zinc/86/43/65/1070864365.db2.gz VARQNSCRLAYKPH-NQIIRXRSSA-N 0 1 456.591 1.977 20 0 JDADMN COc1ccc(-c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2C[C@@H](C(C)C)N2CCOCC2)cc1 ZINC001504172875 1070864379 /nfs/dbraw/zinc/86/43/79/1070864379.db2.gz VARQNSCRLAYKPH-RXVVDRJESA-N 0 1 456.591 1.977 20 0 JDADMN COc1ccc(-c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CCCN2CCC(O)CC2)cc1 ZINC001504189606 1070871460 /nfs/dbraw/zinc/87/14/60/1070871460.db2.gz LAVJZEDTTHFHNK-NRFANRHFSA-N 0 1 477.631 1.814 20 0 JDADMN COc1ccc(-c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CCN2CCSCC2)c(OC)c1 ZINC001504173754 1070864711 /nfs/dbraw/zinc/86/47/11/1070864711.db2.gz ZGORKGDFCKISJB-INIZCTEOSA-N 0 1 460.604 1.678 20 0 JDADMN CCOc1ccc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCc2nc(C)n[nH]2)cc1OC ZINC001502833146 1070865482 /nfs/dbraw/zinc/86/54/82/1070865482.db2.gz GWGPCDYGZOBGIA-MRXNPFEDSA-N 0 1 454.535 1.942 20 0 JDADMN CCOc1ccc(CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCc2nnc(C)[nH]2)cc1OC ZINC001502833146 1070865483 /nfs/dbraw/zinc/86/54/83/1070865483.db2.gz GWGPCDYGZOBGIA-MRXNPFEDSA-N 0 1 454.535 1.942 20 0 JDADMN COc1ccc(-c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CCCN2CCC(O)CC2)cc1 ZINC001504189609 1070871599 /nfs/dbraw/zinc/87/15/99/1070871599.db2.gz LAVJZEDTTHFHNK-OAQYLSRUSA-N 0 1 477.631 1.814 20 0 JDADMN COc1ccc(-c2nnc(N3CCN4CCCC[C@H]4C3)n2CCS(=O)(=O)NC(C)C)cc1 ZINC001504198518 1070876190 /nfs/dbraw/zinc/87/61/90/1070876190.db2.gz AXBDWSKZSBYCTP-IBGZPJMESA-N 0 1 462.620 1.956 20 0 JDADMN COc1ccc(-c2nnc(N3CCN4CCCC[C@@H]4C3)n2CCS(=O)(=O)NC(C)C)cc1 ZINC001504198520 1070876202 /nfs/dbraw/zinc/87/62/02/1070876202.db2.gz AXBDWSKZSBYCTP-LJQANCHMSA-N 0 1 462.620 1.956 20 0 JDADMN COc1ccc(-c2nnc(N3CCN(C(C)C)CC3)n2CCNS(C)(=O)=O)c(OC)c1 ZINC001504202233 1070882945 /nfs/dbraw/zinc/88/29/45/1070882945.db2.gz WABBSMYOKPDRLV-UHFFFAOYSA-N 0 1 452.581 1.042 20 0 JDADMN CCOc1ccnc(N2CCCN(c3nnc(CC)n3C[C@@H](C)CN3CCOCC3)CC2)n1 ZINC001502926912 1070888932 /nfs/dbraw/zinc/88/89/32/1070888932.db2.gz KBPLJRSVMVTDEK-IBGZPJMESA-N 0 1 458.611 1.714 20 0 JDADMN CCOc1ccnc(N2CCCN(c3nnc(C(=O)NC(C)C)n3CCN3CC=CCC3)CC2)n1 ZINC001502927443 1070889233 /nfs/dbraw/zinc/88/92/33/1070889233.db2.gz XXOIAJXCIZXXCC-UHFFFAOYSA-N 0 1 483.621 1.584 20 0 JDADMN CCOC1CC(Cn2c(C(C)C)nnc2N2CCN(CCOC)[C@H](C)C2)(N2CCOCC2)C1 ZINC001502937457 1070893561 /nfs/dbraw/zinc/89/35/61/1070893561.db2.gz DGCGETASIHZIEI-UZGSZPBKSA-N 0 1 464.655 1.828 20 0 JDADMN COc1ccc(CCc2nnc(N3CCN4CCCC[C@H]4C3)n2CCS(=O)(=O)N(C)C)cc1 ZINC001504231130 1070896849 /nfs/dbraw/zinc/89/68/49/1070896849.db2.gz PLKKCMJRVWVRME-FQEVSTJZSA-N 0 1 476.647 1.638 20 0 JDADMN CCOC1CC(O)(Cn2c([C@H]3CCCCO3)nnc2N2CCN(CCOC)[C@@H](CC)C2)C1 ZINC001502962376 1070908792 /nfs/dbraw/zinc/90/87/92/1070908792.db2.gz DFVCRYMNJUPUKQ-JOZVDFOLSA-N 0 1 451.612 1.997 20 0 JDADMN COc1ccc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCSCC2)cc1F ZINC001504245531 1070916113 /nfs/dbraw/zinc/91/61/13/1070916113.db2.gz MXYRNDQOIPSPLH-OAHLLOKOSA-N 0 1 486.639 1.721 20 0 JDADMN CCO[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCOCC2)C1 ZINC001502977928 1070930794 /nfs/dbraw/zinc/93/07/94/1070930794.db2.gz NPEORZOUPVFJAU-QZTJIDSGSA-N 0 1 455.625 1.296 20 0 JDADMN COc1ccc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C2CC2)N(C)C)cc1O ZINC001504257496 1070937921 /nfs/dbraw/zinc/93/79/21/1070937921.db2.gz SDEITCBOGLQRLJ-ZWKOTPCHSA-N 0 1 463.604 1.871 20 0 JDADMN CCOCc1nnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1C[C@@]1(O)CCSC1 ZINC001503022295 1070970578 /nfs/dbraw/zinc/97/05/78/1070970578.db2.gz OODXWWCQJBTSQX-WEYGHZABSA-N 0 1 463.652 1.935 20 0 JDADMN CCOCc1nnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)n1C[C@]1(O)CCSC1 ZINC001503022294 1070972197 /nfs/dbraw/zinc/97/21/97/1070972197.db2.gz OODXWWCQJBTSQX-UCNVEGJOSA-N 0 1 463.652 1.935 20 0 JDADMN COc1ccc(Cn2c(C)nnc2N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)c(OC)n1 ZINC001504267267 1070980887 /nfs/dbraw/zinc/98/08/87/1070980887.db2.gz JXGYGICKNKCHRP-HXUWFJFHSA-N 0 1 459.595 1.278 20 0 JDADMN CCOCc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1CCN1CCc2ccccc2C1 ZINC001503056725 1071011630 /nfs/dbraw/zinc/01/16/30/1071011630.db2.gz HHQITESPMSXQPM-UHFFFAOYSA-N 0 1 476.647 1.639 20 0 JDADMN COc1ccc(F)cc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)C)CC1 ZINC001504290077 1071017238 /nfs/dbraw/zinc/01/72/38/1071017238.db2.gz MQJLDYRNIOTYLZ-HXUWFJFHSA-N 0 1 496.609 1.337 20 0 JDADMN CCOCc1nnc(N2CC[C@]3(CCS(=O)(=O)C3)C2)n1CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001503069130 1071024809 /nfs/dbraw/zinc/02/48/09/1071024809.db2.gz NPDSLZJDPSEUAY-UEXGIBASSA-N 0 1 455.625 1.329 20 0 JDADMN CCOCc1nnc(N2CCC[C@H](C(=O)NC)C2)n1CCCN1CCN(c2ccccc2)CC1 ZINC001503076232 1071027782 /nfs/dbraw/zinc/02/77/82/1071027782.db2.gz FZNZVCBYEXXRIC-NRFANRHFSA-N 0 1 469.634 1.989 20 0 JDADMN CCOCc1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1C[C@@H]1C[NH+](CC(C)C)CCO1 ZINC001503093434 1071036559 /nfs/dbraw/zinc/03/65/59/1071036559.db2.gz HDYWYXAZTRSVSY-QFIPXVFZSA-N 0 1 491.681 1.306 20 0 JDADMN COc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CCCN2CCCC2)cc1 ZINC001504306257 1071034367 /nfs/dbraw/zinc/03/43/67/1071034367.db2.gz MOQCZOSHQLVEEV-HXUWFJFHSA-N 0 1 463.604 1.975 20 0 JDADMN CCOCc1nnc(N2CCCN(Cc3cnn(C)c3)CC2)n1Cc1cccc(C(N)=O)c1 ZINC001503096551 1071039486 /nfs/dbraw/zinc/03/94/86/1071039486.db2.gz RWRGHVVVPIBGLS-UHFFFAOYSA-N 0 1 452.563 1.408 20 0 JDADMN COc1cccc(C(=O)NCCn2c(C(=O)N3CCCC3)nnc2N2CCN(C(C)C)CC2)c1 ZINC001504320502 1071053742 /nfs/dbraw/zinc/05/37/42/1071053742.db2.gz WLSKTIWLICDVFK-UHFFFAOYSA-N 0 1 469.590 1.483 20 0 JDADMN CCOCc1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1CCN1CC=CCC1 ZINC001503101680 1071052647 /nfs/dbraw/zinc/05/26/47/1071052647.db2.gz ZYCMNZBNSLDTNQ-QFIPXVFZSA-N 0 1 453.591 1.425 20 0 JDADMN COc1cccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(C(N)=O)CC2)N2CCCC2)c1 ZINC001504323453 1071057633 /nfs/dbraw/zinc/05/76/33/1071057633.db2.gz CHHLBEPAHOXRNN-OAQYLSRUSA-N 0 1 483.617 1.964 20 0 JDADMN 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CCO[C@]1(c2nnc(N(C)CC(=O)N3CCOCC3)n2C[C@H](c2ccsc2)N(C)C)CCOC1 ZINC001502624637 1070706028 /nfs/dbraw/zinc/70/60/28/1070706028.db2.gz HBFSRILHGKVLCH-AUSIDOKSSA-N 0 1 492.646 1.590 20 0 JDADMN CCO[C@@]1(c2nnc(N(C)CC(=O)N3CCOCC3)n2C[C@H](c2ccsc2)N(C)C)CCOC1 ZINC001502624640 1070707088 /nfs/dbraw/zinc/70/70/88/1070707088.db2.gz HBFSRILHGKVLCH-XXBNENTESA-N 0 1 492.646 1.590 20 0 JDADMN CCO[C@]1(c2nnc(N(C)CC(=O)NC(C)(C)C)n2CCCN2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC001502625154 1070709046 /nfs/dbraw/zinc/70/90/46/1070709046.db2.gz PBYAADDATIKOMQ-YDIMBITNSA-N 0 1 480.654 1.780 20 0 JDADMN CCC(=O)N[C@@H]1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2nc(C)n[nH]2)C1 ZINC001494699690 1070710719 /nfs/dbraw/zinc/71/07/19/1070710719.db2.gz VTFJARNMSYPCQH-VGOFRKELSA-N 0 1 460.583 1.483 20 0 JDADMN CCC(=O)N[C@@H]1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2nnc(C)[nH]2)C1 ZINC001494699690 1070710731 /nfs/dbraw/zinc/71/07/31/1070710731.db2.gz VTFJARNMSYPCQH-VGOFRKELSA-N 0 1 460.583 1.483 20 0 JDADMN CCC(=O)N[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CN(CC(C)C)CCO2)C1 ZINC001494711458 1070715330 /nfs/dbraw/zinc/71/53/30/1070715330.db2.gz IJXJKVCLLKHFQK-VQTJNVASSA-N 0 1 458.611 1.530 20 0 JDADMN CCO[C@]1(c2nnc(N(C)Cc3cnn(C)c3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC001502641719 1070718073 /nfs/dbraw/zinc/71/80/73/1070718073.db2.gz YXPJSQSJVXANBB-SELNLUPBSA-N 0 1 461.611 1.799 20 0 JDADMN CC[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001494795543 1070747605 /nfs/dbraw/zinc/74/76/05/1070747605.db2.gz LFZGWSQTNYHYTN-NFBKMPQASA-N 0 1 460.627 1.071 20 0 JDADMN CC[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001494795547 1070748058 /nfs/dbraw/zinc/74/80/58/1070748058.db2.gz LFZGWSQTNYHYTN-OFNKIYASSA-N 0 1 460.627 1.071 20 0 JDADMN CCO[C@]1(c2nnc(N3CC[C@@H](C(=O)OC)C3)n2C[C@@H]2CN(CC(C)C)CCO2)CCOC1 ZINC001502670348 1070751833 /nfs/dbraw/zinc/75/18/33/1070751833.db2.gz JIWAUSUNARLCJU-SELNLUPBSA-N 0 1 465.595 1.286 20 0 JDADMN CCO[C@@]1(c2nnc(N3CC[C@@H](N4CCN(CC)CC4)C3)n2CC(O)(CC)CC)CCOC1 ZINC001502681038 1070770725 /nfs/dbraw/zinc/77/07/25/1070770725.db2.gz AZYFQZLXIHDCQU-YKSBVNFPSA-N 0 1 464.655 1.698 20 0 JDADMN CC[C@H](C)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2cnn(C)c2)CC1)OC ZINC001494957682 1070782365 /nfs/dbraw/zinc/78/23/65/1070782365.db2.gz JIFGPYFIKFVQLE-ICSRJNTNSA-N 0 1 460.627 1.923 20 0 JDADMN CC[C@H](C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)C)CC1)OC ZINC001495015736 1070791681 /nfs/dbraw/zinc/79/16/81/1070791681.db2.gz QXXREBHMGLKLLS-GBESFXJTSA-N 0 1 472.656 1.203 20 0 JDADMN COC1(C)CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCc3sccc3C2)C1 ZINC001504030760 1070792370 /nfs/dbraw/zinc/79/23/70/1070792370.db2.gz CKZLIGYLBHTINH-AWEZNQCLSA-N 0 1 454.622 1.233 20 0 JDADMN CCO[C@]1(c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CCN2CC=CCC2)CCOC1 ZINC001502693909 1070806554 /nfs/dbraw/zinc/80/65/54/1070806554.db2.gz VFACMWARLXHTPJ-GBXCKJPGSA-N 0 1 460.623 1.933 20 0 JDADMN CCO[C@@]1(c2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CCc2nc(C)n[nH]2)CCOC1 ZINC001502698461 1070809603 /nfs/dbraw/zinc/80/96/03/1070809603.db2.gz BWCUIBXTCVMYHO-UZLBHIALSA-N 0 1 467.596 1.003 20 0 JDADMN CCO[C@@]1(c2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CCc2nnc(C)[nH]2)CCOC1 ZINC001502698461 1070809606 /nfs/dbraw/zinc/80/96/06/1070809606.db2.gz BWCUIBXTCVMYHO-UZLBHIALSA-N 0 1 467.596 1.003 20 0 JDADMN CCO[C@]1(c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2C[C@@H](CC(C)C)N(C)C)CCOC1 ZINC001502695111 1070808528 /nfs/dbraw/zinc/80/85/28/1070808528.db2.gz JFKGGTIPTZRPFV-WOIUINJBSA-N 0 1 471.668 1.920 20 0 JDADMN CC[C@H](C)c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1C[C@@H](C)CN1CCOCC1 ZINC001495665710 1070812149 /nfs/dbraw/zinc/81/21/49/1070812149.db2.gz NGQCHRFEXXSFFB-PMACEKPBSA-N 0 1 475.638 1.031 20 0 JDADMN COc1cc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCc2nc(C)n[nH]2)ccc1OC(C)C ZINC001504071058 1070817617 /nfs/dbraw/zinc/81/76/17/1070817617.db2.gz HUULKAJXSXSTGY-INIZCTEOSA-N 0 1 454.535 1.722 20 0 JDADMN COc1cc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCc2nnc(C)[nH]2)ccc1OC(C)C ZINC001504071058 1070817619 /nfs/dbraw/zinc/81/76/19/1070817619.db2.gz HUULKAJXSXSTGY-INIZCTEOSA-N 0 1 454.535 1.722 20 0 JDADMN CC[C@H](C)c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1CCCCN1CCOCC1 ZINC001495667084 1070812631 /nfs/dbraw/zinc/81/26/31/1070812631.db2.gz SZDPSBWIQPHPRQ-FQEVSTJZSA-N 0 1 475.638 1.175 20 0 JDADMN CCO[C@]1(c2nnc(N3CCC[C@@H](CN4CCOCC4)C3)n2CCOC(C)C)CCOC1 ZINC001502708057 1070813506 /nfs/dbraw/zinc/81/35/06/1070813506.db2.gz MYXDEWHWHRFXPY-NZQKXSOJSA-N 0 1 451.612 1.904 20 0 JDADMN CCO[C@]1(c2nnc(N3CCC[C@H](CN4CCOCC4)C3)n2C[C@H](CC)OC)CCOC1 ZINC001502708224 1070814159 /nfs/dbraw/zinc/81/41/59/1070814159.db2.gz PQSXVXROEUUBIN-ZRCGQRJVSA-N 0 1 451.612 1.904 20 0 JDADMN CCO[C@@]1(c2nnc(N3CCC[C@H](CN4CCOCC4)C3)n2C[C@H](CC)OC)CCOC1 ZINC001502708221 1070814258 /nfs/dbraw/zinc/81/42/58/1070814258.db2.gz PQSXVXROEUUBIN-QTEQDKRBSA-N 0 1 451.612 1.904 20 0 JDADMN CCO[C@]1(c2nnc(N3CCC[C@H](CN4CCOCC4)C3)n2C[C@@H](CC)OC)CCOC1 ZINC001502708222 1070814313 /nfs/dbraw/zinc/81/43/13/1070814313.db2.gz PQSXVXROEUUBIN-TXTKFYIRSA-N 0 1 451.612 1.904 20 0 JDADMN CC[C@H](C)c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1C[C@H]1CN(CC(C)C)CCO1 ZINC001495714609 1070817261 /nfs/dbraw/zinc/81/72/61/1070817261.db2.gz FJGQYCNZYUQKMH-JAXLGGSGSA-N 0 1 475.682 1.938 20 0 JDADMN CCO[C@@]1(c2nnc(N3CCN(C(=O)NC)CC3)n2C[C@@H](c2ccco2)N(C)C)CCOC1 ZINC001502713341 1070820096 /nfs/dbraw/zinc/82/00/96/1070820096.db2.gz YZLFOIVLFOAHOI-JTSKRJEESA-N 0 1 461.567 1.288 20 0 JDADMN COc1cc(-c2nnc(N3CC[C@]4(CCS(=O)(=O)C4)C3)n2C[C@@H](C)N(C)C)cc(OC)c1OC ZINC001504075507 1070820307 /nfs/dbraw/zinc/82/03/07/1070820307.db2.gz XACRFVAIHUXCAQ-MWTRTKDXSA-N 0 1 493.630 1.936 20 0 JDADMN CC[C@@H](C)c1nnc(N2CCN(S(=O)(=O)Cc3ccon3)CC2)n1C[C@H](C)CN1CCOCC1 ZINC001495848808 1070823041 /nfs/dbraw/zinc/82/30/41/1070823041.db2.gz AOTXCASRPUMCKX-RTBURBONSA-N 0 1 495.650 1.400 20 0 JDADMN CC[C@H](C)c1nnc(N2CCN(S(=O)(=O)Cc3ccon3)CC2)n1C[C@@H](C)CN1CCOCC1 ZINC001495848806 1070823074 /nfs/dbraw/zinc/82/30/74/1070823074.db2.gz AOTXCASRPUMCKX-OALUTQOASA-N 0 1 495.650 1.400 20 0 JDADMN CC[C@H](C)c1nnc(N2CCO[C@H](C(=O)NC)C2)n1CCN1CCN(Cc2ccccc2)CC1 ZINC001495881160 1070827206 /nfs/dbraw/zinc/82/72/06/1070827206.db2.gz QWLBMIQRNJIBCF-UNMCSNQZSA-N 0 1 469.634 1.561 20 0 JDADMN COc1cc(Cn2c(C)nnc2N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)ccc1OCCO ZINC001504089104 1070827254 /nfs/dbraw/zinc/82/72/54/1070827254.db2.gz SUOKPNOUZJZDEO-JOCHJYFZSA-N 0 1 488.633 1.246 20 0 JDADMN COc1cc(Cl)ccc1-c1nnc(N2CCNC(=O)C2)n1C[C@H]1CN(CC(C)C)CCO1 ZINC001504111811 1070838012 /nfs/dbraw/zinc/83/80/12/1070838012.db2.gz YZATYYMLVIQEMK-QGZVFWFLSA-N 0 1 462.982 1.900 20 0 JDADMN CC[C@H](C)N(C)CCn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001496105256 1070830151 /nfs/dbraw/zinc/83/01/51/1070830151.db2.gz CGJNWVSCUOJYQY-ROUUACIJSA-N 0 1 454.641 1.648 20 0 JDADMN CCO[C@]1(c2nnc(N3CCN(Cc4ccccc4)C[C@H]3C)n2CCC(=O)NC)CCOC1 ZINC001502724853 1070834177 /nfs/dbraw/zinc/83/41/77/1070834177.db2.gz FLENEROTIREXPH-NTKDMRAZSA-N 0 1 456.591 1.777 20 0 JDADMN COc1cc(Cl)ccc1-c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1C[C@@]1(O)CCN(C)C1 ZINC001504105848 1070834863 /nfs/dbraw/zinc/83/48/63/1070834863.db2.gz XVHUJZDNUKTLKO-FOIQADDNSA-N 0 1 469.995 1.297 20 0 JDADMN CCO[C@]1(c2nnc(N3CCN(CCc4ccccc4)CC3)n2CC(=O)NC(C)C)CCOC1 ZINC001502725570 1070835343 /nfs/dbraw/zinc/83/53/43/1070835343.db2.gz KLACXQKDUCDALU-RUZDIDTESA-N 0 1 470.618 1.820 20 0 JDADMN CCO[C@]1(c2nnc(N3CCN(CCc4cccs4)CC3)n2CCC(=O)NC)CCOC1 ZINC001502726033 1070835967 /nfs/dbraw/zinc/83/59/67/1070835967.db2.gz OFHHRTUJFYTAEF-JOCHJYFZSA-N 0 1 462.620 1.493 20 0 JDADMN CCO[C@@]1(c2nnc(N3CCN(CCOC)[C@H](C)C3)n2Cc2ccc(NC(N)=O)cc2)CCOC1 ZINC001502726302 1070836620 /nfs/dbraw/zinc/83/66/20/1070836620.db2.gz SNTLVESVNFIBDE-KOSHJBKYSA-N 0 1 487.605 1.626 20 0 JDADMN CCO[C@]1(c2nnc(N3CCN(CCOC)[C@@H](C)C3)n2CCN2CCOC(C)(C)C2)CCOC1 ZINC001502726411 1070837459 /nfs/dbraw/zinc/83/74/59/1070837459.db2.gz VGLSIFMPFNBESP-GBXCKJPGSA-N 0 1 480.654 1.198 20 0 JDADMN CCO[C@]1(c2nnc(N3CCNC(=O)[C@@H]3CC)n2CCCN2C[C@@H](C)O[C@H](C)C2)CCOC1 ZINC001502729536 1070840666 /nfs/dbraw/zinc/84/06/66/1070840666.db2.gz REGGBRBGYDHTEI-CROMWVBPSA-N 0 1 464.611 1.144 20 0 JDADMN COc1cc(OC)cc(-c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2C[C@H](C)CN2CCOCC2)c1 ZINC001504119682 1070841621 /nfs/dbraw/zinc/84/16/21/1070841621.db2.gz JSOLEMSJMGXVSU-MSOLQXFVSA-N 0 1 472.590 1.598 20 0 JDADMN COc1cc(OC)cc(-c2nnc(N3CCC(CC(N)=O)CC3)n2CCc2nc(C)n[nH]2)c1 ZINC001504124375 1070843531 /nfs/dbraw/zinc/84/35/31/1070843531.db2.gz KHNNFGUVTJGRCO-UHFFFAOYSA-N 0 1 454.535 1.723 20 0 JDADMN COc1cc(OC)cc(-c2nnc(N3CCC(CC(N)=O)CC3)n2CCc2nnc(C)[nH]2)c1 ZINC001504124375 1070843532 /nfs/dbraw/zinc/84/35/32/1070843532.db2.gz KHNNFGUVTJGRCO-UHFFFAOYSA-N 0 1 454.535 1.723 20 0 JDADMN 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CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001502343566 1070240882 /nfs/dbraw/zinc/24/08/82/1070240882.db2.gz QGLJIGDIJONNEX-OALUTQOASA-N 0 1 456.657 1.274 20 0 JDADMN CCN(Cc1cnn(C)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001502344098 1070248896 /nfs/dbraw/zinc/24/88/96/1070248896.db2.gz YBVQYYOHYWLUPG-PZJWPPBQSA-N 0 1 492.694 1.214 20 0 JDADMN C[C@H]1C(=O)N(C)CCN1c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCSCC1 ZINC001493191221 1070250320 /nfs/dbraw/zinc/25/03/20/1070250320.db2.gz FTVKFMFPSXZQQY-OKZBNKHCSA-N 0 1 493.678 1.765 20 0 JDADMN CCN1CCN(C[C@H](C)Cn2c(N(CCS(C)(=O)=O)C3CC3)nnc2C(C)(C)C)CC1 ZINC001502345557 1070250581 /nfs/dbraw/zinc/25/05/81/1070250581.db2.gz CHADNZMBNSCDIS-SFHVURJKSA-N 0 1 454.685 1.863 20 0 JDADMN C[C@@H]1C[C@H](C)CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCN2CC=CCC2)C1 ZINC001493249240 1070267133 /nfs/dbraw/zinc/26/71/33/1070267133.db2.gz WABNULOSHXWJOE-CEXWTWQISA-N 0 1 452.625 1.355 20 0 JDADMN C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(Cc3cnn(C)c3)CC2)n1C[C@H]1CC[C@@H](C)C1 ZINC001493438463 1070303161 /nfs/dbraw/zinc/30/31/61/1070303161.db2.gz AAESOANUNCCOMJ-QYZOEREBSA-N 0 1 478.667 1.770 20 0 JDADMN CCn1nc(-c2nnc(N(C)CCS(C)(=O)=O)n2C[C@@H](C2CC2)N(C)C)c2ccccc2c1=O ZINC001502362446 1070306875 /nfs/dbraw/zinc/30/68/75/1070306875.db2.gz CUQWCUAPXPYWOX-IBGZPJMESA-N 0 1 487.630 1.496 20 0 JDADMN CCn1nc(-c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CCN(C)C(C)C)c2ccccc2c1=O ZINC001502361897 1070305277 /nfs/dbraw/zinc/30/52/77/1070305277.db2.gz RXEBUTFRENBNAJ-QGZVFWFLSA-N 0 1 487.630 1.638 20 0 JDADMN CCNC(=O)C(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 ZINC001502368931 1070316608 /nfs/dbraw/zinc/31/66/08/1070316608.db2.gz VDDCRNGXMMRDSL-UHFFFAOYSA-N 0 1 473.626 1.024 20 0 JDADMN CCNC(=O)C(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCN(C(C)C)CC1 ZINC001502379308 1070323248 /nfs/dbraw/zinc/32/32/48/1070323248.db2.gz AVHPHDBQJWDGOM-UHFFFAOYSA-N 0 1 480.617 1.885 20 0 JDADMN CCNC(=O)C(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CCCN2CCOCC2)CC1 ZINC001502382682 1070327343 /nfs/dbraw/zinc/32/73/43/1070327343.db2.gz ZNMYUVNKFPKGMF-HXUWFJFHSA-N 0 1 489.665 1.720 20 0 JDADMN CCNC(=O)C(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC001502383981 1070327621 /nfs/dbraw/zinc/32/76/21/1070327621.db2.gz DRKVZJGENVZAPA-ZWKOTPCHSA-N 0 1 466.652 1.407 20 0 JDADMN CC(C)C(=O)NCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC[C@@H](C)C1 ZINC001493680742 1070332030 /nfs/dbraw/zinc/33/20/30/1070332030.db2.gz HDFRJEYXHPRYTM-MOPGFXCFSA-N 0 1 482.695 1.899 20 0 JDADMN CCNC(=O)C(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC2CC2)CC1 ZINC001502389546 1070332821 /nfs/dbraw/zinc/33/28/21/1070332821.db2.gz HURYPMCXYYFWNW-UHFFFAOYSA-N 0 1 473.647 1.964 20 0 JDADMN CC(C)C(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 ZINC001493682829 1070333134 /nfs/dbraw/zinc/33/31/34/1070333134.db2.gz ULGGTBNWMAOEAU-VQTJNVASSA-N 0 1 494.706 1.995 20 0 JDADMN CC(C)C(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 ZINC001493682832 1070334130 /nfs/dbraw/zinc/33/41/30/1070334130.db2.gz ULGGTBNWMAOEAU-WOJBJXKFSA-N 0 1 494.706 1.995 20 0 JDADMN CCNC(=O)C1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CCOC)[C@H](CC)C2)CCC1 ZINC001502401786 1070345219 /nfs/dbraw/zinc/34/52/19/1070345219.db2.gz YQQYFSSQCIEFGB-MSOLQXFVSA-N 0 1 461.611 1.083 20 0 JDADMN C[C@H]1CCCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C(N)=O)c2)C1 ZINC001493803820 1070351110 /nfs/dbraw/zinc/35/11/10/1070351110.db2.gz BKZIMBOSBNHKKD-PXNSSMCTSA-N 0 1 474.631 1.647 20 0 JDADMN C[C@@H]1CCCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CCCO)CC2)C1 ZINC001493804033 1070351335 /nfs/dbraw/zinc/35/13/35/1070351335.db2.gz BYTGQMYAENOIBC-QUCCMNQESA-N 0 1 453.653 1.901 20 0 JDADMN C[C@@H]1CCCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(CC(F)(F)F)CC2)C1 ZINC001493807415 1070352324 /nfs/dbraw/zinc/35/23/24/1070352324.db2.gz XXHIQAXCXZAXSY-SJORKVTESA-N 0 1 478.585 1.596 20 0 JDADMN C[C@H]1CCCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(CC(F)(F)F)CC2)C1 ZINC001493807412 1070352420 /nfs/dbraw/zinc/35/24/20/1070352420.db2.gz XXHIQAXCXZAXSY-DLBZAZTESA-N 0 1 478.585 1.596 20 0 JDADMN C[C@H]1CCCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001493807505 1070352570 /nfs/dbraw/zinc/35/25/70/1070352570.db2.gz ZPHUSTWONUOSBY-OALUTQOASA-N 0 1 480.679 1.607 20 0 JDADMN C[C@@H]1CCCN1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001493844786 1070358404 /nfs/dbraw/zinc/35/84/04/1070358404.db2.gz HTZLDBBCEIJYRC-KURKYZTESA-N 0 1 482.651 1.768 20 0 JDADMN C[C@H]1CCCN1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001493844784 1070358621 /nfs/dbraw/zinc/35/86/21/1070358621.db2.gz HTZLDBBCEIJYRC-BZSNNMDCSA-N 0 1 482.651 1.768 20 0 JDADMN C[C@H]1CCCN1CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CC(N)=O)CC1 ZINC001493845051 1070359860 /nfs/dbraw/zinc/35/98/60/1070359860.db2.gz XWUGBWIRXKEBHG-KRWDZBQOSA-N 0 1 474.631 1.925 20 0 JDADMN C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)F)CC1)N1CCC(C)CC1 ZINC001493868020 1070367667 /nfs/dbraw/zinc/36/76/67/1070367667.db2.gz ZFGAHDSVYVAEHR-MSOLQXFVSA-N 0 1 474.622 1.688 20 0 JDADMN CCNC(=O)CN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 ZINC001502425094 1070372221 /nfs/dbraw/zinc/37/22/21/1070372221.db2.gz ZOIRWPLZAJGVMU-QHCPKHFHSA-N 0 1 499.660 1.569 20 0 JDADMN CCNC(=O)CN1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 ZINC001502427030 1070375787 /nfs/dbraw/zinc/37/57/87/1070375787.db2.gz WJEHUGRKRYKXGR-FQEVSTJZSA-N 0 1 487.624 1.699 20 0 JDADMN C[C@H]([C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCC(C)CC1)S(C)(=O)=O ZINC001494082286 1070386457 /nfs/dbraw/zinc/38/64/57/1070386457.db2.gz NCYKAJRIFOCHFM-DLBZAZTESA-N 0 1 480.635 1.996 20 0 JDADMN C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3oncc3C2)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001494086116 1070387915 /nfs/dbraw/zinc/38/79/15/1070387915.db2.gz JARYODVFMPWYPP-XHSDSOJGSA-N 0 1 481.623 1.327 20 0 JDADMN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC001494088064 1070388731 /nfs/dbraw/zinc/38/87/31/1070388731.db2.gz RQLHVOKXAWNRGQ-BSDSXHPESA-N 0 1 486.683 1.780 20 0 JDADMN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001494088068 1070389142 /nfs/dbraw/zinc/38/91/42/1070389142.db2.gz RQLHVOKXAWNRGQ-WNRNVDISSA-N 0 1 486.683 1.780 20 0 JDADMN C[C@H]1CN(C(C)(C)Cn2c(-c3ccccn3)nnc2N(C)CC(=O)N2CCOCC2)C[C@H](C)O1 ZINC001494095700 1070391098 /nfs/dbraw/zinc/39/10/98/1070391098.db2.gz KZOHPLOIVHLMPM-OALUTQOASA-N 0 1 471.606 1.523 20 0 JDADMN C[C@H](NS(C)(=O)=O)c1nnc(N2CCSC[C@H]2C)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC001494094026 1070391581 /nfs/dbraw/zinc/39/15/81/1070391581.db2.gz DYTWVWASCXTKNF-VQHPVUNQSA-N 0 1 474.697 1.718 20 0 JDADMN C[C@H]1CN(C)C(=O)CN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CC=CCC1 ZINC001494100859 1070395446 /nfs/dbraw/zinc/39/54/46/1070395446.db2.gz PSJPSGYPVCVXDQ-KRWDZBQOSA-N 0 1 471.993 1.790 20 0 JDADMN C[C@@H]1CN(C(C)(C)Cn2c(Cc3ccsc3)nnc2N2CCN(S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC001494100756 1070395498 /nfs/dbraw/zinc/39/54/98/1070395498.db2.gz PEAIUMHRNANNDB-HDICACEKSA-N 0 1 496.703 1.900 20 0 JDADMN C[C@H]1CN(C(C)(C)Cn2c(-c3ccc[nH]3)nnc2N2CCC(NS(C)(=O)=O)CC2)C[C@H](C)O1 ZINC001494096654 1070391997 /nfs/dbraw/zinc/39/19/97/1070391997.db2.gz OBQKHXPXBVVPFZ-IRXDYDNUSA-N 0 1 479.651 1.679 20 0 JDADMN C[C@@H]1CN(C(C)(C)Cn2c([C@H]3CCCCO3)nnc2N(C)CCNS(C)(=O)=O)C[C@@H](C)O1 ZINC001494096416 1070392348 /nfs/dbraw/zinc/39/23/48/1070392348.db2.gz NHXBYBCPWYQJNF-KZNAEPCWSA-N 0 1 472.656 1.393 20 0 JDADMN C[C@H](NS(C)(=O)=O)c1nnc(N2CCOC3(CCC3)C2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC001494096371 1070392459 /nfs/dbraw/zinc/39/24/59/1070392459.db2.gz NDTCDAAJVHLSBB-KURKYZTESA-N 0 1 484.667 1.535 20 0 JDADMN C[C@@H]1CN(C(C)(C)Cn2c(Cc3ccsc3)nnc2N2CCN(S(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC001494100759 1070395659 /nfs/dbraw/zinc/39/56/59/1070395659.db2.gz PEAIUMHRNANNDB-QZTJIDSGSA-N 0 1 496.703 1.900 20 0 JDADMN CCNC(=O)CN1CCN(c2nnc(CC3CCCC3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001502434858 1070393298 /nfs/dbraw/zinc/39/32/98/1070393298.db2.gz OPWSPNIMTBFUBH-OYRHEFFESA-N 0 1 475.682 1.768 20 0 JDADMN C[C@H]1CN(C(C)(C)Cn2c(Cc3ccccn3)nnc2N2CCC(C(N)=O)CC2)C[C@H](C)O1 ZINC001494103281 1070396282 /nfs/dbraw/zinc/39/62/82/1070396282.db2.gz XKMDVFGDWOAOLC-ROUUACIJSA-N 0 1 455.607 1.853 20 0 JDADMN CCNC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 ZINC001502449279 1070442792 /nfs/dbraw/zinc/44/27/92/1070442792.db2.gz OTKHZOWGHXYCAJ-NRFANRHFSA-N 0 1 487.653 1.667 20 0 JDADMN C[C@H](NS(C)(=O)=O)c1nnc(N2CCCO[C@H](C)C2)n1C[C@H](c1ccco1)N1CCCC1 ZINC001494193541 1070469655 /nfs/dbraw/zinc/46/96/55/1070469655.db2.gz MYFYCFFGEREQOS-FGTMMUONSA-N 0 1 466.608 1.934 20 0 JDADMN CCNC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001502459035 1070471754 /nfs/dbraw/zinc/47/17/54/1070471754.db2.gz LUVMQUNMOFYGIF-NHCUHLMSSA-N 0 1 487.653 1.491 20 0 JDADMN CCNC(=O)N1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCc2nc(C)n[nH]2)CC1 ZINC001502461413 1070484214 /nfs/dbraw/zinc/48/42/14/1070484214.db2.gz WUZGFOZZHIETST-UHFFFAOYSA-N 0 1 467.578 1.995 20 0 JDADMN CCNC(=O)N1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCc2nnc(C)[nH]2)CC1 ZINC001502461413 1070484240 /nfs/dbraw/zinc/48/42/40/1070484240.db2.gz WUZGFOZZHIETST-UHFFFAOYSA-N 0 1 467.578 1.995 20 0 JDADMN CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CN(CC(C)C)CCO2)C1 ZINC001502469020 1070520787 /nfs/dbraw/zinc/52/07/87/1070520787.db2.gz KSCQEVSNSQNFDA-MOPGFXCFSA-N 0 1 480.635 1.721 20 0 JDADMN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 ZINC001502469022 1070520974 /nfs/dbraw/zinc/52/09/74/1070520974.db2.gz KSCQEVSNSQNFDA-RBUKOAKNSA-N 0 1 480.635 1.721 20 0 JDADMN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC001502472445 1070535306 /nfs/dbraw/zinc/53/53/06/1070535306.db2.gz UPKBWOGLCYAEPW-GUDVDZBRSA-N 0 1 493.678 1.689 20 0 JDADMN 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CCO[C@]1(c2nnc(N3CCC(CNC(C)=O)CC3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CCOC1 ZINC001502680821 1070769865 /nfs/dbraw/zinc/76/98/65/1070769865.db2.gz YIEARYWBJPEGMG-UMEGOILYSA-N 0 1 492.665 1.782 20 0 JDADMN CCO[C@]1(c2nnc(N3CC[C@@H](N4CCN(CC)CC4)C3)n2CC(O)(CC)CC)CCOC1 ZINC001502681036 1070771052 /nfs/dbraw/zinc/77/10/52/1070771052.db2.gz AZYFQZLXIHDCQU-HYBUGGRVSA-N 0 1 464.655 1.698 20 0 JDADMN CC[C@H](C)[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2cnn(C)c2)CC1 ZINC001494933535 1070778832 /nfs/dbraw/zinc/77/88/32/1070778832.db2.gz LVHTZTXVGZCVRI-YADARESESA-N 0 1 472.638 1.643 20 0 JDADMN CCO[C@]1(c2nnc(N3CCC(S(C)(=O)=O)CC3)n2C[C@H](CC)N2CCCC2)CCOC1 ZINC001502685452 1070793541 /nfs/dbraw/zinc/79/35/41/1070793541.db2.gz WNBVEFQFQNZNPR-PGRDOPGGSA-N 0 1 469.652 1.818 20 0 JDADMN COC1(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCCN(Cc3cnn(C)c3)CC2)CCC1 ZINC001504039921 1070800043 /nfs/dbraw/zinc/80/00/43/1070800043.db2.gz OQWOGBBPOJGTCG-SFHVURJKSA-N 0 1 494.666 1.293 20 0 JDADMN CCO[C@]1(c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@H]2CN(CC(C)C)CCO2)CCOC1 ZINC001502691418 1070803145 /nfs/dbraw/zinc/80/31/45/1070803145.db2.gz UUSDSUBNUDOXJH-DCLXLUIPSA-N 0 1 478.638 1.379 20 0 JDADMN CCO[C@]1(c2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CCc2nc(C)n[nH]2)CCOC1 ZINC001502698458 1070809745 /nfs/dbraw/zinc/80/97/45/1070809745.db2.gz BWCUIBXTCVMYHO-OXJNMPFZSA-N 0 1 467.596 1.003 20 0 JDADMN CCO[C@]1(c2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CCc2nnc(C)[nH]2)CCOC1 ZINC001502698458 1070809747 /nfs/dbraw/zinc/80/97/47/1070809747.db2.gz BWCUIBXTCVMYHO-OXJNMPFZSA-N 0 1 467.596 1.003 20 0 JDADMN CCO[C@@]1(c2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CCN2CC=CCC2)CCOC1 ZINC001502693912 1070806489 /nfs/dbraw/zinc/80/64/89/1070806489.db2.gz VFACMWARLXHTPJ-YKSBVNFPSA-N 0 1 460.623 1.933 20 0 JDADMN CCO[C@]1(c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2C[C@H](CC(C)C)N(C)C)CCOC1 ZINC001502695110 1070808663 /nfs/dbraw/zinc/80/86/63/1070808663.db2.gz JFKGGTIPTZRPFV-NNMXDRDESA-N 0 1 471.668 1.920 20 0 JDADMN CC[C@@H](C)c1nnc(N2CCCN(Cc3cnn(C)c3)CC2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001495656215 1070810776 /nfs/dbraw/zinc/81/07/76/1070810776.db2.gz XKDCTXWDUYRSIE-GOSISDBHSA-N 0 1 479.651 1.177 20 0 JDADMN CCO[C@]1(c2nnc(N3CCCO[C@@H](C)C3)n2C[C@@H]2CN(CC(C)C)CCO2)CCOC1 ZINC001502707960 1070813454 /nfs/dbraw/zinc/81/34/54/1070813454.db2.gz LHRXLUSQYMYMAF-SXWKCWPCSA-N 0 1 451.612 1.902 20 0 JDADMN CCO[C@]1(c2nnc(N3CCCO[C@@H](C)C3)n2C[C@H]2CN(CC(C)C)CCO2)CCOC1 ZINC001502707959 1070813601 /nfs/dbraw/zinc/81/36/01/1070813601.db2.gz LHRXLUSQYMYMAF-MIZPHKNDSA-N 0 1 451.612 1.902 20 0 JDADMN CC[C@H](C)c1nnc(N2CCO[C@@H](C(=O)NC)C2)n1CCN1CCN(Cc2ccccc2)CC1 ZINC001495881159 1070827347 /nfs/dbraw/zinc/82/73/47/1070827347.db2.gz QWLBMIQRNJIBCF-RBBKRZOGSA-N 0 1 469.634 1.561 20 0 JDADMN CCO[C@]1(c2nnc(N3CCN(C(=O)NC)CC3)n2C[C@@H](c2ccco2)N(C)C)CCOC1 ZINC001502713340 1070820258 /nfs/dbraw/zinc/82/02/58/1070820258.db2.gz YZLFOIVLFOAHOI-HTAPYJJXSA-N 0 1 461.567 1.288 20 0 JDADMN COc1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C(C)C)CC2)ccc1OCCO ZINC001504090979 1070828213 /nfs/dbraw/zinc/82/82/13/1070828213.db2.gz LJDUOMFHNAUXAE-GOSISDBHSA-N 0 1 458.563 1.188 20 0 JDADMN COc1cc(Cn2c(C)nnc2N2CCCN(Cc3cnn(C)c3)CC2)ccc1OCCO ZINC001504088540 1070827034 /nfs/dbraw/zinc/82/70/34/1070827034.db2.gz RGPYJIUVAPDVET-UHFFFAOYSA-N 0 1 455.563 1.460 20 0 JDADMN COc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3CCCC[C@@H]3C2)ccc1C ZINC001504092484 1070829533 /nfs/dbraw/zinc/82/95/33/1070829533.db2.gz XDOSIIOAICUTEW-IEBWSBKVSA-N 0 1 462.620 1.928 20 0 JDADMN CCO[C@]1(c2nnc(N3CCN(CC(F)F)CC3)n2C[C@H]2CN(CC(C)C)CCO2)CCOC1 ZINC001502723274 1070832819 /nfs/dbraw/zinc/83/28/19/1070832819.db2.gz WOUAVXNCDDOXIQ-AUSIDOKSSA-N 0 1 486.608 1.674 20 0 JDADMN CCO[C@@]1(c2nnc(N3CCN(CC(F)F)CC3)n2C[C@@H]2CN(CC(C)C)CCO2)CCOC1 ZINC001502723275 1070832907 /nfs/dbraw/zinc/83/29/07/1070832907.db2.gz WOUAVXNCDDOXIQ-CVDCTZTESA-N 0 1 486.608 1.674 20 0 JDADMN CCO[C@@]1(c2nnc(N3CCN(Cc4ccccc4)C[C@H]3C)n2CCC(=O)NC)CCOC1 ZINC001502724852 1070834262 /nfs/dbraw/zinc/83/42/62/1070834262.db2.gz FLENEROTIREXPH-DVECYGJZSA-N 0 1 456.591 1.777 20 0 JDADMN COc1cc(N2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3C[C@H](C)N(C)C)CC2)ccc1F ZINC001504113944 1070838719 /nfs/dbraw/zinc/83/87/19/1070838719.db2.gz GBOSIYYEGSKISF-IRXDYDNUSA-N 0 1 480.610 1.605 20 0 JDADMN COc1cc(N2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3C[C@@H](C)N(C)C)CC2)ccc1F ZINC001504113945 1070838828 /nfs/dbraw/zinc/83/88/28/1070838828.db2.gz GBOSIYYEGSKISF-SJORKVTESA-N 0 1 480.610 1.605 20 0 JDADMN CCO[C@@]1(c2nnc(N3CCN(CCOC)[C@@H](C)C3)n2CCN2CCOC(C)(C)C2)CCOC1 ZINC001502726413 1070837218 /nfs/dbraw/zinc/83/72/18/1070837218.db2.gz VGLSIFMPFNBESP-RDPSFJRHSA-N 0 1 480.654 1.198 20 0 JDADMN COc1cc(OC)cc(-c2nnc(N3CC[C@](C)(C(N)=O)C3)n2C[C@H](C)CN2CCOCC2)c1 ZINC001504123112 1070843222 /nfs/dbraw/zinc/84/32/22/1070843222.db2.gz ULGRNKIYLRYXND-OSPHWJPCSA-N 0 1 472.590 1.632 20 0 JDADMN COc1cc(OC)cc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H](C)CN2CCOCC2)c1 ZINC001504125662 1070844779 /nfs/dbraw/zinc/84/47/79/1070844779.db2.gz JILVFHUVSIMYOH-MSOLQXFVSA-N 0 1 472.590 1.632 20 0 JDADMN CCO[C@@]1(c2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H](C(C)C)N2CCCC2)CCOC1 ZINC001502736562 1070845206 /nfs/dbraw/zinc/84/52/06/1070845206.db2.gz KUZGWSHVDZDIMZ-RXVVDRJESA-N 0 1 455.625 1.285 20 0 JDADMN CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 ZINC001496305539 1070847749 /nfs/dbraw/zinc/84/77/49/1070847749.db2.gz BMHGDIRCVTWPTG-GMAHTHKFSA-N 0 1 498.676 1.734 20 0 JDADMN CCC(CC)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)N(C)C ZINC001496632410 1070855008 /nfs/dbraw/zinc/85/50/08/1070855008.db2.gz PWFURRBTJFZWOU-QZTJIDSGSA-N 0 1 477.635 1.915 20 0 JDADMN COc1cc(OC)cc(-c2nnc(N3CCN(CCOC(C)C)CC3)n2CC(=O)N(C)C)c1 ZINC001504132264 1070849657 /nfs/dbraw/zinc/84/96/57/1070849657.db2.gz SYYNFQKJABRJGY-UHFFFAOYSA-N 0 1 460.579 1.598 20 0 JDADMN CCC(CC)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)N1CCOCC1 ZINC001496650381 1070855382 /nfs/dbraw/zinc/85/53/82/1070855382.db2.gz GVYBYQGPWWEAEN-RXVVDRJESA-N 0 1 493.678 1.880 20 0 JDADMN CCC(CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCNC(=O)[C@@H]1CC)N1CCOCC1 ZINC001496651305 1070855745 /nfs/dbraw/zinc/85/57/45/1070855745.db2.gz QPBFRCKDSNYFFJ-VQTJNVASSA-N 0 1 456.595 1.587 20 0 JDADMN CCC(CC)[C@H](Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](CNC(C)=O)C1)N1CCOCC1 ZINC001496645053 1070855388 /nfs/dbraw/zinc/85/53/88/1070855388.db2.gz MVIJMZKVQHCENE-GMAHTHKFSA-N 0 1 485.633 1.818 20 0 JDADMN CCC(CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CC(N)=O)C1)N1CCOCC1 ZINC001496652925 1070855956 /nfs/dbraw/zinc/85/59/56/1070855956.db2.gz YOKYFGBIWLPSDX-WIYYLYMNSA-N 0 1 472.638 1.907 20 0 JDADMN CCC(CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CC(N)=O)C1)N1CCOCC1 ZINC001496652922 1070855979 /nfs/dbraw/zinc/85/59/79/1070855979.db2.gz YOKYFGBIWLPSDX-GHTZIAJQSA-N 0 1 472.638 1.907 20 0 JDADMN CCC(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CC(N)=O)C1)N1CCOCC1 ZINC001496652923 1070856081 /nfs/dbraw/zinc/85/60/81/1070856081.db2.gz YOKYFGBIWLPSDX-NQIIRXRSSA-N 0 1 472.638 1.907 20 0 JDADMN CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(C)=O)C1)N1CCOCC1 ZINC001496663463 1070856279 /nfs/dbraw/zinc/85/62/79/1070856279.db2.gz IUXBYHMLNSFQIY-HKBOAZHASA-N 0 1 475.638 1.471 20 0 JDADMN CCC(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(C)=O)C1)N1CCOCC1 ZINC001496663460 1070856350 /nfs/dbraw/zinc/85/63/50/1070856350.db2.gz IUXBYHMLNSFQIY-HBMCJLEFSA-N 0 1 475.638 1.471 20 0 JDADMN COc1ccc(-c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2C[C@H](C(C)C)N2CCOCC2)cc1 ZINC001504172869 1070864425 /nfs/dbraw/zinc/86/44/25/1070864425.db2.gz VARQNSCRLAYKPH-GHTZIAJQSA-N 0 1 456.591 1.977 20 0 JDADMN CCOc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@@H](C)[NH+]2CCN(CC)CC2)cc1OC ZINC001502799824 1070859070 /nfs/dbraw/zinc/85/90/70/1070859070.db2.gz NOBQCXCEMKDYPQ-QUCCMNQESA-N 0 1 485.633 1.690 20 0 JDADMN COc1ccc(-c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CCCCN2CCOCC2)cc1OC ZINC001504160496 1070860685 /nfs/dbraw/zinc/86/06/85/1070860685.db2.gz ZQWMOYDHCZLZFC-LJQANCHMSA-N 0 1 493.630 1.698 20 0 JDADMN COc1ccc(-c2nnc(N(C)CCS(C)(=O)=O)n2C[C@@]2(N(C)C)CCSC2)cc1 ZINC001504167712 1070861927 /nfs/dbraw/zinc/86/19/27/1070861927.db2.gz DCRZSWVHNMGNHR-FQEVSTJZSA-N 0 1 453.634 1.872 20 0 JDADMN CCOc1ccc(-c2nnc(N3CCNC(=O)C3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC001502813732 1070862734 /nfs/dbraw/zinc/86/27/34/1070862734.db2.gz JIRUKUQIKRCBFX-HDICACEKSA-N 0 1 472.590 1.788 20 0 JDADMN COc1ccc(-c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@H](C(C)C)N2CCOCC2)cc1 ZINC001504172877 1070864403 /nfs/dbraw/zinc/86/44/03/1070864403.db2.gz VARQNSCRLAYKPH-WIYYLYMNSA-N 0 1 456.591 1.977 20 0 JDADMN COc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@@H](C(C)C)N2CCOCC2)cc1OC ZINC001504175952 1070865280 /nfs/dbraw/zinc/86/52/80/1070865280.db2.gz VNKBBUBNNNWBGM-MOPGFXCFSA-N 0 1 472.590 1.631 20 0 JDADMN CCOc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(C)C)CC2)c1 ZINC001502881265 1070873758 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CCN1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C[C@@H]1C ZINC001502328973 1070161515 /nfs/dbraw/zinc/16/15/15/1070161515.db2.gz QYSHANXAWGDIMM-KRWDZBQOSA-N 0 1 481.626 1.724 20 0 JDADMN CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCc2cccc(F)c2)C[C@@H]1C ZINC001502328017 1070157834 /nfs/dbraw/zinc/15/78/34/1070157834.db2.gz XWGNAZBFPPSQDC-GHTZIAJQSA-N 0 1 494.637 1.913 20 0 JDADMN CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)c2ccccc2)C[C@H]1C ZINC001502327928 1070157992 /nfs/dbraw/zinc/15/79/92/1070157992.db2.gz WMGZIXYWZXWTPI-ZVDOUQERSA-N 0 1 476.647 1.945 20 0 JDADMN CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nc(C)c(C)s2)C[C@@H]1C ZINC001502328047 1070158264 /nfs/dbraw/zinc/15/82/64/1070158264.db2.gz YLCCYJDKRUWUSB-WMLDXEAASA-N 0 1 483.664 1.263 20 0 JDADMN CCN1CCN(c2nnc(Cc3ccccc3F)n2CCN2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001502328671 1070161874 /nfs/dbraw/zinc/16/18/74/1070161874.db2.gz LBPWCUPIWHQYRK-IBGZPJMESA-N 0 1 457.598 1.703 20 0 JDADMN CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCSC2)C[C@@H]1C ZINC001502330260 1070163234 /nfs/dbraw/zinc/16/32/34/1070163234.db2.gz RXTJYFCDRLSKNY-YWZLYKJASA-N 0 1 450.634 1.668 20 0 JDADMN CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1C ZINC001502331251 1070165418 /nfs/dbraw/zinc/16/54/18/1070165418.db2.gz MGXWHAXCAFBXNI-VQTJNVASSA-N 0 1 476.647 1.977 20 0 JDADMN CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1C ZINC001502331336 1070165512 /nfs/dbraw/zinc/16/55/12/1070165512.db2.gz NKBXQBRWAAAXCJ-ZWKOTPCHSA-N 0 1 480.610 1.808 20 0 JDADMN CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1C ZINC001502331250 1070165995 /nfs/dbraw/zinc/16/59/95/1070165995.db2.gz MGXWHAXCAFBXNI-UXHICEINSA-N 0 1 476.647 1.977 20 0 JDADMN CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCS(=O)(=O)N(C)C)C[C@H]1C ZINC001502331556 1070166324 /nfs/dbraw/zinc/16/63/24/1070166324.db2.gz SBSNVJMSVSCORG-MRXNPFEDSA-N 0 1 454.572 1.418 20 0 JDADMN CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCNC(=O)c2ccn[nH]2)C[C@@H]1C ZINC001502330911 1070166404 /nfs/dbraw/zinc/16/64/04/1070166404.db2.gz FDXZYEIVIGXYFL-KRWDZBQOSA-N 0 1 468.562 1.549 20 0 JDADMN CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccccc2S(=O)(=O)N(C)C)C[C@@H]1C ZINC001502332394 1070171002 /nfs/dbraw/zinc/17/10/02/1070171002.db2.gz JDKUUNMDBRUMDF-PKOBYXMFSA-N 0 1 462.620 1.959 20 0 JDADMN COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)N[C@@H](C)[C@@H]2CN(C)CCN2C)CC1 ZINC001479596002 1070171529 /nfs/dbraw/zinc/17/15/29/1070171529.db2.gz LKWHASYAHJMEMI-VDGAXYAQSA-N 0 1 451.999 1.516 20 0 JDADMN CCN1CCN([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCc3nc(C)c(C)s3)C2)CC1 ZINC001502332281 1070171857 /nfs/dbraw/zinc/17/18/57/1070171857.db2.gz HEBLOJMLTSHZSD-LJQANCHMSA-N 0 1 474.679 1.949 20 0 JDADMN CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCNS(=O)(=O)CC)C[C@@H]1C ZINC001502331847 1070168120 /nfs/dbraw/zinc/16/81/20/1070168120.db2.gz YCQXBCBHKLMIMR-IBGZPJMESA-N 0 1 464.636 1.944 20 0 JDADMN CCN1CCN(c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)N2CCSCC2)C[C@H]1C ZINC001502332738 1070173276 /nfs/dbraw/zinc/17/32/76/1070173276.db2.gz RCYVANDCSWVLQY-IAGOWNOFSA-N 0 1 458.654 1.039 20 0 JDADMN CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CCS(=O)(=O)NC)C[C@H]1C ZINC001502332613 1070173358 /nfs/dbraw/zinc/17/33/58/1070173358.db2.gz OLEVCSMRSLGVNV-QGZVFWFLSA-N 0 1 452.650 1.958 20 0 JDADMN CCN1CCN([C@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3Cc3nc(C)c(C)s3)C2)CC1 ZINC001502333167 1070174425 /nfs/dbraw/zinc/17/44/25/1070174425.db2.gz BWLFGEVFCAQQGE-WMZOPIPTSA-N 0 1 496.707 1.226 20 0 JDADMN CCN1CCN([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC3(C)CCC3)C2)CC1 ZINC001502333152 1070174782 /nfs/dbraw/zinc/17/47/82/1070174782.db2.gz BGMRHZGCQGBXIJ-ZWKOTPCHSA-N 0 1 453.657 1.295 20 0 JDADMN CCN1CCN([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CC3(COC)CCOCC3)C2)CC1 ZINC001502333030 1070175070 /nfs/dbraw/zinc/17/50/70/1070175070.db2.gz YPWIIPCYSQUJEY-FQEVSTJZSA-N 0 1 477.654 1.076 20 0 JDADMN CCN1CCN([C@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3Cc3cc(F)ccc3F)C2)CC1 ZINC001502333644 1070179138 /nfs/dbraw/zinc/17/91/38/1070179138.db2.gz NNUKREKIJCCOGF-APWZRJJASA-N 0 1 497.616 1.431 20 0 JDADMN CCN1CCN([C@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3Cc3cc(F)ccc3F)C2)CC1 ZINC001502333645 1070179752 /nfs/dbraw/zinc/17/97/52/1070179752.db2.gz NNUKREKIJCCOGF-LPHOPBHVSA-N 0 1 497.616 1.431 20 0 JDADMN CCN1CCN([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3Cc3cc(F)ccc3F)C2)CC1 ZINC001502333646 1070180137 /nfs/dbraw/zinc/18/01/37/1070180137.db2.gz NNUKREKIJCCOGF-QFBILLFUSA-N 0 1 497.616 1.431 20 0 JDADMN CCN1CCN([C@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3Cc3ccc(OC)cc3)C2)CC1 ZINC001502333722 1070181545 /nfs/dbraw/zinc/18/15/45/1070181545.db2.gz POAFMMSVNVRXRN-QUCCMNQESA-N 0 1 491.662 1.161 20 0 JDADMN CCN1CCN([C@@H]2CCN(c3nnc([C@@H](C)OCCOC)n3CC3(O)CCCC3)C2)CC1 ZINC001502333815 1070181599 /nfs/dbraw/zinc/18/15/99/1070181599.db2.gz RUQVZODQDKURJQ-WOJBJXKFSA-N 0 1 450.628 1.523 20 0 JDADMN CCN1CCN([C@H]2CCN(c3nnc([C@H]4CCCOC4)n3CCS(=O)(=O)C(C)(C)C)C2)CC1 ZINC001502335432 1070194842 /nfs/dbraw/zinc/19/48/42/1070194842.db2.gz IPUBPTHMUXKKBH-PMACEKPBSA-N 0 1 482.695 1.602 20 0 JDADMN Cc1noc(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 ZINC001493053429 1070195405 /nfs/dbraw/zinc/19/54/05/1070195405.db2.gz SOIREJMNYQQWQH-UHFFFAOYSA-N 0 1 455.567 1.515 20 0 JDADMN Cc1noc([C@@H]2CCCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CCN(C)C(C)C)C2)n1 ZINC001493080565 1070202424 /nfs/dbraw/zinc/20/24/24/1070202424.db2.gz ZPRZOPZKTDWJHM-SJORKVTESA-N 0 1 451.597 1.596 20 0 JDADMN CCN1CCN([C@@H]2CCN(c3nnc([C@H]4C[C@@H](NC(=O)OC(C)(C)C)C4)n3CCOC)C2)CC1 ZINC001502337211 1070202456 /nfs/dbraw/zinc/20/24/56/1070202456.db2.gz DFWUZNQTSDAENP-HSALFYBXSA-N 0 1 477.654 1.911 20 0 JDADMN Cc1noc(C2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCN3CC=CCC3)CC2)n1 ZINC001493090442 1070204018 /nfs/dbraw/zinc/20/40/18/1070204018.db2.gz XBLDICXVRICXTL-HNNXBMFYSA-N 0 1 464.596 1.226 20 0 JDADMN CCN1CCN([C@@H]2CCN(c3nnc(CNC(=O)c4cccs4)n3CCOC(C)C)C2)CC1 ZINC001502337280 1070203912 /nfs/dbraw/zinc/20/39/12/1070203912.db2.gz FRBJYTFWNVMUBB-LJQANCHMSA-N 0 1 475.663 1.911 20 0 JDADMN CCN1CCN([C@H]2CCN(c3nnc(COc4ccc(C)cc4)n3CCS(=O)(=O)CC)C2)CC1 ZINC001502338584 1070216041 /nfs/dbraw/zinc/21/60/41/1070216041.db2.gz XNWVDPVOQUPPFG-NRFANRHFSA-N 0 1 490.674 1.816 20 0 JDADMN CCN1CCN(C[C@@H](C)Cn2c(-c3ccccn3)nnc2N(C)[C@@H](C)CS(C)(=O)=O)CC1 ZINC001502339615 1070218007 /nfs/dbraw/zinc/21/80/07/1070218007.db2.gz AUHURBNWWNEKTE-MOPGFXCFSA-N 0 1 463.652 1.483 20 0 JDADMN CCN1CCN(C[C@H](C)Cn2c(-c3ccccc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001502340648 1070221353 /nfs/dbraw/zinc/22/13/53/1070221353.db2.gz IEUOGFJQZBHFBV-PZJWPPBQSA-N 0 1 460.648 1.842 20 0 JDADMN CCN1CCN(C[C@H](C)Cn2c(-c3ccccc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC001502340646 1070221417 /nfs/dbraw/zinc/22/14/17/1070221417.db2.gz IEUOGFJQZBHFBV-FPOVZHCZSA-N 0 1 460.648 1.842 20 0 JDADMN CCN1CCN(C[C@@H](C)Cn2c(-c3ccccc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001502341440 1070226322 /nfs/dbraw/zinc/22/63/22/1070226322.db2.gz WCSKNRLEMGGYHT-TZIWHRDSSA-N 0 1 460.648 1.842 20 0 JDADMN CCN1CCN(C[C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001502341491 1070226433 /nfs/dbraw/zinc/22/64/33/1070226433.db2.gz XAEPGOOSXOINRZ-SIKLNZKXSA-N 0 1 490.674 1.851 20 0 JDADMN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001502342576 1070228829 /nfs/dbraw/zinc/22/88/29/1070228829.db2.gz AAGBOVZJEGPDOR-MXEMCNAFSA-N 0 1 466.696 1.936 20 0 JDADMN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001502342578 1070229576 /nfs/dbraw/zinc/22/95/76/1070229576.db2.gz AAGBOVZJEGPDOR-XSDIEEQYSA-N 0 1 466.696 1.936 20 0 JDADMN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](C)C2)CC1 ZINC001502342821 1070231871 /nfs/dbraw/zinc/23/18/71/1070231871.db2.gz FIHDPOFQQBEFMR-AABGKKOBSA-N 0 1 452.669 1.690 20 0 JDADMN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)CC1 ZINC001502343294 1070237240 /nfs/dbraw/zinc/23/72/40/1070237240.db2.gz MPNPGIHCBOMXFK-XSDIEEQYSA-N 0 1 484.711 1.704 20 0 JDADMN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)CC1 ZINC001502343293 1070237560 /nfs/dbraw/zinc/23/75/60/1070237560.db2.gz MPNPGIHCBOMXFK-UWHLTILDSA-N 0 1 484.711 1.704 20 0 JDADMN CCN(c1nnc([C@H]2CCCCO2)n1C[C@@H](C)CN1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001502343419 1070238612 /nfs/dbraw/zinc/23/86/12/1070238612.db2.gz OQUVPLPUWATGCV-PCCBWWKXSA-N 0 1 482.695 1.807 20 0 JDADMN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(OC(C)C)CC2)CC1 ZINC001502343723 1070240959 /nfs/dbraw/zinc/24/09/59/1070240959.db2.gz SRXAGKZYNHKEJU-LEWJYISDSA-N 0 1 496.722 1.848 20 0 JDADMN CCN1CCN(C[C@@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(OC(C)C)CC2)CC1 ZINC001502343724 1070241301 /nfs/dbraw/zinc/24/13/01/1070241301.db2.gz SRXAGKZYNHKEJU-NHCUHLMSSA-N 0 1 496.722 1.848 20 0 JDADMN CCN1CCN(C[C@@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CC2CCC2)CC1 ZINC001502343798 1070244781 /nfs/dbraw/zinc/24/47/81/1070244781.db2.gz UWHHRELBGUEGJV-UYAOXDASSA-N 0 1 452.669 1.690 20 0 JDADMN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCCC[C@H]3C2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001493313596 1070288535 /nfs/dbraw/zinc/28/85/35/1070288535.db2.gz OHNGIFXCGBHQPS-PJVZLEMVSA-N 0 1 454.641 1.766 20 0 JDADMN CCn1nc(-c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CCN(C)C(C)C)c2ccccc2c1=O ZINC001502361896 1070305552 /nfs/dbraw/zinc/30/55/52/1070305552.db2.gz RXEBUTFRENBNAJ-KRWDZBQOSA-N 0 1 487.630 1.638 20 0 JDADMN CCn1nc(-c2nnc(N3CCN(C(C)C)CC3)n2CC(C)(C)C(=O)NC)c2ccccc2c1=O ZINC001502366252 1070311227 /nfs/dbraw/zinc/31/12/27/1070311227.db2.gz BDXBFZGBBXJLLH-UHFFFAOYSA-N 0 1 480.617 1.978 20 0 JDADMN CCNC(=O)C(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC)[C@@H](C)C1 ZINC001502374660 1070320774 /nfs/dbraw/zinc/32/07/74/1070320774.db2.gz YUJWSDDXTVWZMN-KRWDZBQOSA-N 0 1 466.594 1.614 20 0 JDADMN CCNC(=O)C(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC)[C@H](C)C1 ZINC001502374661 1070320972 /nfs/dbraw/zinc/32/09/72/1070320972.db2.gz YUJWSDDXTVWZMN-QGZVFWFLSA-N 0 1 466.594 1.614 20 0 JDADMN CCNC(=O)C(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC001502383978 1070327517 /nfs/dbraw/zinc/32/75/17/1070327517.db2.gz DRKVZJGENVZAPA-MSOLQXFVSA-N 0 1 466.652 1.407 20 0 JDADMN CC(C)C(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 ZINC001493682825 1070333423 /nfs/dbraw/zinc/33/34/23/1070333423.db2.gz ULGGTBNWMAOEAU-PMACEKPBSA-N 0 1 494.706 1.995 20 0 JDADMN CC(C)NC(=O)c1nnc(N2CC[C@@]3(CCS(=O)(=O)C3)C2)n1CC(C)(C)N1CCC[C@H](C)C1 ZINC001493677364 1070330748 /nfs/dbraw/zinc/33/07/48/1070330748.db2.gz RSXXQMCXEMQFHR-FDDCHVKYSA-N 0 1 480.679 1.942 20 0 JDADMN CC(C)NC(=O)c1nnc(N2CC[C@@]3(CCS(=O)(=O)C3)C2)n1CC(C)(C)N1CCC[C@@H](C)C1 ZINC001493677376 1070331143 /nfs/dbraw/zinc/33/11/43/1070331143.db2.gz RSXXQMCXEMQFHR-WZONZLPQSA-N 0 1 480.679 1.942 20 0 JDADMN CC(C)NC(=O)c1nnc(N2CC[C@]3(CCS(=O)(=O)C3)C2)n1CC(C)(C)N1CCC[C@H](C)C1 ZINC001493677373 1070331625 /nfs/dbraw/zinc/33/16/25/1070331625.db2.gz RSXXQMCXEMQFHR-MBSDFSHPSA-N 0 1 480.679 1.942 20 0 JDADMN C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)N1CCC[C@@H](C)C1 ZINC001493688988 1070334926 /nfs/dbraw/zinc/33/49/26/1070334926.db2.gz GZCGFPZILPWWEK-ZBRFXRBCSA-N 0 1 492.712 1.267 20 0 JDADMN CC(C)NC(=O)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCC[C@@H](C)C1 ZINC001493709460 1070338902 /nfs/dbraw/zinc/33/89/02/1070338902.db2.gz CPSOQQRIWXKHOQ-FGTMMUONSA-N 0 1 454.641 1.261 20 0 JDADMN C[C@H]1CCCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CCCO)CC2)C1 ZINC001493804028 1070350874 /nfs/dbraw/zinc/35/08/74/1070350874.db2.gz BYTGQMYAENOIBC-AZUAARDMSA-N 0 1 453.653 1.901 20 0 JDADMN C[C@H]1CCCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CCCO)CC2)C1 ZINC001493804031 1070351003 /nfs/dbraw/zinc/35/10/03/1070351003.db2.gz BYTGQMYAENOIBC-ICSRJNTNSA-N 0 1 453.653 1.901 20 0 JDADMN C[C@@H]1CCCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001493807507 1070353838 /nfs/dbraw/zinc/35/38/38/1070353838.db2.gz ZPHUSTWONUOSBY-RTBURBONSA-N 0 1 480.679 1.607 20 0 JDADMN CCNC(=O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(CCOC)[C@@H](C)C2)c1 ZINC001502416546 1070355529 /nfs/dbraw/zinc/35/55/29/1070355529.db2.gz VJHRSSBKSXXYHE-IBGZPJMESA-N 0 1 483.617 1.469 20 0 JDADMN C[C@@H]1CCCN1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001493845914 1070360073 /nfs/dbraw/zinc/36/00/73/1070360073.db2.gz QCVWRVWMYOKXDG-CVEARBPZSA-N 0 1 496.575 1.687 20 0 JDADMN C[C@H]1CCCN1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001493845915 1070360814 /nfs/dbraw/zinc/36/08/14/1070360814.db2.gz QCVWRVWMYOKXDG-HOTGVXAUSA-N 0 1 496.575 1.687 20 0 JDADMN C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1cnccn1)N1CCC(C)CC1 ZINC001493867452 1070366937 /nfs/dbraw/zinc/36/69/37/1070366937.db2.gz UKESAXBSTONPPX-RTBURBONSA-N 0 1 461.636 1.770 20 0 JDADMN C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCS(=O)(=O)CC1)N1CCC(C)CC1 ZINC001493871432 1070367104 /nfs/dbraw/zinc/36/71/04/1070367104.db2.gz ADMFEYLKBBHTSQ-QGZVFWFLSA-N 0 1 480.660 1.625 20 0 JDADMN CC1CCN(CCCn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001494055157 1070382608 /nfs/dbraw/zinc/38/26/08/1070382608.db2.gz MDWYOXGSEVHKEW-LJQANCHMSA-N 0 1 466.652 1.650 20 0 JDADMN CC1CCN(CCCn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001494055916 1070382729 /nfs/dbraw/zinc/38/27/29/1070382729.db2.gz SSQDGYSBYSDBPW-GOSISDBHSA-N 0 1 452.625 1.259 20 0 JDADMN CCNC(=O)CN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 ZINC001502429271 1070380785 /nfs/dbraw/zinc/38/07/85/1070380785.db2.gz WGDWGUYMSMCURG-QFIPXVFZSA-N 0 1 484.649 1.263 20 0 JDADMN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCC(C)CC1 ZINC001494082293 1070386098 /nfs/dbraw/zinc/38/60/98/1070386098.db2.gz NCYKAJRIFOCHFM-SJORKVTESA-N 0 1 480.635 1.996 20 0 JDADMN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cnn(C)c2)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001494085430 1070387114 /nfs/dbraw/zinc/38/71/14/1070387114.db2.gz HIHMCWBWLGGPQQ-IXDOHACOSA-N 0 1 482.655 1.146 20 0 JDADMN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cnn(C)c2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC001494085423 1070387175 /nfs/dbraw/zinc/38/71/75/1070387175.db2.gz HIHMCWBWLGGPQQ-BRWVUGGUSA-N 0 1 482.655 1.146 20 0 JDADMN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3oncc3C2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC001494086104 1070388435 /nfs/dbraw/zinc/38/84/35/1070388435.db2.gz JARYODVFMPWYPP-BZUAXINKSA-N 0 1 481.623 1.327 20 0 JDADMN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[C@H]32)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC001494089000 1070390008 /nfs/dbraw/zinc/39/00/08/1070390008.db2.gz ZWCSVLDDSDZYJX-DFBDCSAJSA-N 0 1 454.641 1.765 20 0 JDADMN C[C@H]1CN(C(C)(C)Cn2c(-c3cnccn3)nnc2N(C)CC(=O)NC(C)(C)C)C[C@H](C)O1 ZINC001494094218 1070391251 /nfs/dbraw/zinc/39/12/51/1070391251.db2.gz FNQMQUJZLCKVNO-IRXDYDNUSA-N 0 1 458.611 1.974 20 0 JDADMN C[C@@H]1CN(C)C(=O)CN1c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CC=CCC1 ZINC001494100861 1070395379 /nfs/dbraw/zinc/39/53/79/1070395379.db2.gz PSJPSGYPVCVXDQ-QGZVFWFLSA-N 0 1 471.993 1.790 20 0 JDADMN C[C@@H]1CN(C(C)(C)Cn2c(-c3ccccn3)nnc2N(C)CC(=O)N2CCOCC2)C[C@@H](C)O1 ZINC001494095703 1070391365 /nfs/dbraw/zinc/39/13/65/1070391365.db2.gz KZOHPLOIVHLMPM-RTBURBONSA-N 0 1 471.606 1.523 20 0 JDADMN C[C@@H]1CN(C(C)(C)Cn2c(-c3ccccn3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)C[C@H](C)O1 ZINC001494094936 1070391646 /nfs/dbraw/zinc/39/16/46/1070391646.db2.gz IXVPMUFSNGDPIS-GBESFXJTSA-N 0 1 491.662 1.698 20 0 JDADMN C[C@H](NS(C)(=O)=O)c1nnc(N2CCOC3(CCC3)C2)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001494096370 1070391891 /nfs/dbraw/zinc/39/18/91/1070391891.db2.gz NDTCDAAJVHLSBB-KSZLIROESA-N 0 1 484.667 1.535 20 0 JDADMN C[C@@H]1CN(C(C)(C)Cn2c([C@H]3CCCO3)nnc2N2CCN(CC(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC001494102657 1070395733 /nfs/dbraw/zinc/39/57/33/1070395733.db2.gz VFWIEUNHBQSPIJ-VAMGGRTRSA-N 0 1 477.654 1.228 20 0 JDADMN C[C@H]1CN(C)C(=O)CN1c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001494097848 1070392965 /nfs/dbraw/zinc/39/29/65/1070392965.db2.gz BWPNWUPIDHTEAD-QFBILLFUSA-N 0 1 457.554 1.623 20 0 JDADMN C[C@@H]1CN(C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N(C)CCN2CCOCC2)C[C@H](C)O1 ZINC001494097842 1070393028 /nfs/dbraw/zinc/39/30/28/1070393028.db2.gz XSCRPGAYFIUXHE-HBMCJLEFSA-N 0 1 464.655 1.828 20 0 JDADMN C[C@H]1CN(C)C(=O)CN1c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001494097846 1070393526 /nfs/dbraw/zinc/39/35/26/1070393526.db2.gz BWPNWUPIDHTEAD-LPHOPBHVSA-N 0 1 457.554 1.623 20 0 JDADMN C[C@@H]1CN(C(C)(C)Cn2c([C@H]3CCCO3)nnc2N2CCN(CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC001494102651 1070395279 /nfs/dbraw/zinc/39/52/79/1070395279.db2.gz VFWIEUNHBQSPIJ-HSALFYBXSA-N 0 1 477.654 1.228 20 0 JDADMN C[C@@H]1CN(C(C)(C)Cn2c(COc3ccc(F)cc3)nnc2N2CCNC(=O)C2)C[C@@H](C)O1 ZINC001494103432 1070396200 /nfs/dbraw/zinc/39/62/00/1070396200.db2.gz XVMZFPJYCTYDEE-IAGOWNOFSA-N 0 1 460.554 1.820 20 0 JDADMN C[C@@H]1CN(C)C(=O)CN1c1nnc(CNC(=O)c2cccs2)n1C[C@H](c1ccco1)N(C)C ZINC001494128675 1070416944 /nfs/dbraw/zinc/41/69/44/1070416944.db2.gz KCRCIQYDGZSCBH-HZPDHXFCSA-N 0 1 471.587 1.832 20 0 JDADMN CCNC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(CC)CCC(F)(F)F)CC1 ZINC001502451702 1070447863 /nfs/dbraw/zinc/44/78/63/1070447863.db2.gz FUKZRLWFKLJFAK-HNNXBMFYSA-N 0 1 474.532 1.355 20 0 JDADMN C[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCN2CCSCC2)CC(=O)N1C ZINC001494213851 1070497980 /nfs/dbraw/zinc/49/79/80/1070497980.db2.gz CMNHLUNBHKBVGI-AWEZNQCLSA-N 0 1 482.452 1.762 20 0 JDADMN C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCCCCC2)CC(=O)N1C ZINC001494226724 1070509191 /nfs/dbraw/zinc/50/91/91/1070509191.db2.gz BBYCOYVPFMWGIG-GOSISDBHSA-N 0 1 474.631 1.892 20 0 JDADMN C[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCCCCC2)CC(=O)N1C ZINC001494226725 1070509483 /nfs/dbraw/zinc/50/94/83/1070509483.db2.gz BBYCOYVPFMWGIG-SFHVURJKSA-N 0 1 474.631 1.892 20 0 JDADMN CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](C)CN2CCOCC2)C1 ZINC001502471571 1070528408 /nfs/dbraw/zinc/52/84/08/1070528408.db2.gz CQXJIQYCTYBWCF-ROUUACIJSA-N 0 1 480.610 1.571 20 0 JDADMN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001502472443 1070535691 /nfs/dbraw/zinc/53/56/91/1070535691.db2.gz UPKBWOGLCYAEPW-CEXWTWQISA-N 0 1 493.678 1.689 20 0 JDADMN C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCCCO)CCN(C2CCC2)C1 ZINC001494343257 1070551602 /nfs/dbraw/zinc/55/16/02/1070551602.db2.gz IBFYKHFOFHPERF-ROUUACIJSA-N 0 1 471.693 1.606 20 0 JDADMN C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC(=O)N(C)C)CCN(C2CCC2)C1 ZINC001494345548 1070556176 /nfs/dbraw/zinc/55/61/76/1070556176.db2.gz OGOXATCQGVNDKF-ROUUACIJSA-N 0 1 466.652 1.359 20 0 JDADMN C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)C(C)(C)C)CCN(C2CCC2)C1 ZINC001494344724 1070554948 /nfs/dbraw/zinc/55/49/48/1070554948.db2.gz LJDBHMKIHCRTAD-ROUUACIJSA-N 0 1 480.679 1.653 20 0 JDADMN C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](c2ccsc2)N(C)C)C[C@H](C)O1 ZINC001494348904 1070559420 /nfs/dbraw/zinc/55/94/20/1070559420.db2.gz UQQFANKSPQUFDX-NBMJBFSESA-N 0 1 498.675 1.589 20 0 JDADMN CC(C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC001494350725 1070563211 /nfs/dbraw/zinc/56/32/11/1070563211.db2.gz YNNGNOFYXMHABP-IIMDRIAPSA-N 0 1 455.625 1.293 20 0 JDADMN CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2C[C@H](C)O[C@@H](C)C2)C1 ZINC001502478269 1070563699 /nfs/dbraw/zinc/56/36/99/1070563699.db2.gz SEXPQVXGMIRCEW-VNTMZGSJSA-N 0 1 484.667 1.189 20 0 JDADMN CCNS(=O)(=O)[C@H]1CCN(c2nnc(CC)n2CC2(CN3CCOCC3)CCCCC2)C1 ZINC001502478507 1070564953 /nfs/dbraw/zinc/56/49/53/1070564953.db2.gz WSOAQLDCNYDXFD-IBGZPJMESA-N 0 1 468.668 1.641 20 0 JDADMN CCNS(=O)(=O)[C@H]1CCN(c2nnc(Cc3ccccc3F)n2CCN2CCSCC2)C1 ZINC001502479766 1070569395 /nfs/dbraw/zinc/56/93/95/1070569395.db2.gz DKKFKWLXSHKQEH-SFHVURJKSA-N 0 1 482.651 1.575 20 0 JDADMN CC(C)C(=O)NCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCO[C@H](C)C1 ZINC001494456477 1070589350 /nfs/dbraw/zinc/58/93/50/1070589350.db2.gz LPTFWPVJHGRQAT-OAQYLSRUSA-N 0 1 469.634 1.640 20 0 JDADMN CCNS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C)cc3)n2CCc2nc(C)n[nH]2)C1 ZINC001502483829 1070591940 /nfs/dbraw/zinc/59/19/40/1070591940.db2.gz WUQZOETVJLZODO-SFHVURJKSA-N 0 1 474.591 1.353 20 0 JDADMN CCNS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C)cc3)n2CCc2nnc(C)[nH]2)C1 ZINC001502483829 1070591963 /nfs/dbraw/zinc/59/19/63/1070591963.db2.gz WUQZOETVJLZODO-SFHVURJKSA-N 0 1 474.591 1.353 20 0 JDADMN CCOC(=O)N(C)C1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCSCC2)CC1 ZINC001502488224 1070598601 /nfs/dbraw/zinc/59/86/01/1070598601.db2.gz LXVMOGVYXXDZCZ-KRWDZBQOSA-N 0 1 452.625 1.888 20 0 JDADMN CCOC(=O)N(C)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCSCC2)CC1 ZINC001502488225 1070598928 /nfs/dbraw/zinc/59/89/28/1070598928.db2.gz LXVMOGVYXXDZCZ-QGZVFWFLSA-N 0 1 452.625 1.888 20 0 JDADMN CC(C)[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001494516418 1070608004 /nfs/dbraw/zinc/60/80/04/1070608004.db2.gz BJNOPDLGSRKNNH-ZSYWTGECSA-N 0 1 472.656 1.249 20 0 JDADMN CCOC(=O)N1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCSCC2)CC1 ZINC001502494127 1070611398 /nfs/dbraw/zinc/61/13/98/1070611398.db2.gz QSCQPLKMGAITBH-JOCHJYFZSA-N 0 1 482.651 1.646 20 0 JDADMN C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccn2C)n1CCCN1CCCO[C@@H](C)C1 ZINC001494522666 1070615950 /nfs/dbraw/zinc/61/59/50/1070615950.db2.gz GVXQURUGXPQUJW-ROUUACIJSA-N 0 1 452.625 1.654 20 0 JDADMN CCOC(=O)N1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCc2nc(C)n[nH]2)CC1 ZINC001502496852 1070613220 /nfs/dbraw/zinc/61/32/20/1070613220.db2.gz AGPZNSHKOJMMIY-UHFFFAOYSA-N 0 1 470.534 1.910 20 0 JDADMN CCOC(=O)N1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCc2nnc(C)[nH]2)CC1 ZINC001502496852 1070613227 /nfs/dbraw/zinc/61/32/27/1070613227.db2.gz AGPZNSHKOJMMIY-UHFFFAOYSA-N 0 1 470.534 1.910 20 0 JDADMN C[C@H]1CN(CCCn2c(-c3cccnc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CCCO1 ZINC001494522030 1070615009 /nfs/dbraw/zinc/61/50/09/1070615009.db2.gz BBSXDTNVRBNWBE-AZUAARDMSA-N 0 1 462.620 1.854 20 0 JDADMN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnccn2)n1CCCN1CCCO[C@H](C)C1 ZINC001494523385 1070617489 /nfs/dbraw/zinc/61/74/89/1070617489.db2.gz LKLIOMGAIOGQCM-SQNIBIBYSA-N 0 1 465.624 1.494 20 0 JDADMN C[C@H]1CN(CCCn2c(-c3cccn3C)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CCCO1 ZINC001494523736 1070617639 /nfs/dbraw/zinc/61/76/39/1070617639.db2.gz MYVMDVIQVNUFPJ-ZWKOTPCHSA-N 0 1 450.609 1.408 20 0 JDADMN C[C@H]1CN(CCCn2c(-c3cnn(C)c3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C[C@H](C)O1 ZINC001494526609 1070618390 /nfs/dbraw/zinc/61/83/90/1070618390.db2.gz ZXYUPGOLTOUCDK-OALUTQOASA-N 0 1 487.653 1.808 20 0 JDADMN C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cnn(C)c2)n1CCCN1CCCO[C@H](C)C1 ZINC001494525527 1070618634 /nfs/dbraw/zinc/61/86/34/1070618634.db2.gz UHWWCBZEKFVPRJ-DLBZAZTESA-N 0 1 453.613 1.049 20 0 JDADMN C[C@H]1CN(CCCn2c(CC(C)(C)C)nnc2N2CCN(CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC001494529138 1070620697 /nfs/dbraw/zinc/62/06/97/1070620697.db2.gz GGIHPSROTVQCIB-PMACEKPBSA-N 0 1 463.671 1.576 20 0 JDADMN C[C@@H]1CN(CCCn2c([C@@H]3CCCCO3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CCCO1 ZINC001494529471 1070622096 /nfs/dbraw/zinc/62/20/96/1070622096.db2.gz JEWBICQPXMTARO-QYZOEREBSA-N 0 1 455.625 1.644 20 0 JDADMN C[C@@H]1CN(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)CCCO1 ZINC001494529679 1070622337 /nfs/dbraw/zinc/62/23/37/1070622337.db2.gz KOFIQEJKSAPLIZ-CEXWTWQISA-N 0 1 482.651 1.134 20 0 JDADMN C[C@@H]1CN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccco2)CCCO1 ZINC001494529484 1070622549 /nfs/dbraw/zinc/62/25/49/1070622549.db2.gz JNYZHSKTHKZSCE-QZTJIDSGSA-N 0 1 451.593 1.911 20 0 JDADMN C[C@@H]1CN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C[C@@H](C)O1 ZINC001494529690 1070623909 /nfs/dbraw/zinc/62/39/09/1070623909.db2.gz KPXLQUWIUUFNPA-QRVBRYPASA-N 0 1 490.653 1.359 20 0 JDADMN C[C@H]1CN(CCCn2c(Cc3ccccn3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)C[C@H](C)O1 ZINC001494536031 1070627858 /nfs/dbraw/zinc/62/78/58/1070627858.db2.gz MZRRPCQBNCRTDI-UFYCRDLUSA-N 0 1 491.662 1.233 20 0 JDADMN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CN2CCCC2=O)n1CCCN1CCCO[C@H](C)C1 ZINC001494535505 1070627909 /nfs/dbraw/zinc/62/79/09/1070627909.db2.gz KEEGSKFKVPCUSP-GUDVDZBRSA-N 0 1 484.667 1.159 20 0 JDADMN C[C@H]([C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCN1CCCO[C@H](C)C1)S(C)(=O)=O ZINC001494535502 1070627971 /nfs/dbraw/zinc/62/79/71/1070627971.db2.gz KEEGSKFKVPCUSP-CEXWTWQISA-N 0 1 484.667 1.159 20 0 JDADMN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CN2CCCC2=O)n1CCCN1CCCO[C@H](C)C1 ZINC001494535509 1070628117 /nfs/dbraw/zinc/62/81/17/1070628117.db2.gz KEEGSKFKVPCUSP-QYZOEREBSA-N 0 1 484.667 1.159 20 0 JDADMN C[C@H]1CN(CCCn2c(Cc3ccccn3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CCCO1 ZINC001494536043 1070628961 /nfs/dbraw/zinc/62/89/61/1070628961.db2.gz NERINFCJOOUXDM-PZJWPPBQSA-N 0 1 476.647 1.778 20 0 JDADMN C[C@H]1CN(CCCn2c(Cc3ccncc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CCCO1 ZINC001494536427 1070629198 /nfs/dbraw/zinc/62/91/98/1070629198.db2.gz NLBWNNOJTPYVAT-ICSRJNTNSA-N 0 1 462.620 1.388 20 0 JDADMN C[C@H]1CN(CCCn2c(CCOc3ccccc3)nnc2N2CCS(=O)(=O)CC2)CCCO1 ZINC001494538081 1070630066 /nfs/dbraw/zinc/63/00/66/1070630066.db2.gz SYVGLHMZXSISSM-FQEVSTJZSA-N 0 1 477.631 1.635 20 0 JDADMN C[C@H]1CN(CCCn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCNC(=O)C2)C[C@H](C)O1 ZINC001494544802 1070631065 /nfs/dbraw/zinc/63/10/65/1070631065.db2.gz DUMBNQSMBPETIB-CADBVGFASA-N 0 1 491.637 1.484 20 0 JDADMN C[C@@H]1COCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccsc1)N(C)C ZINC001494580598 1070643144 /nfs/dbraw/zinc/64/31/44/1070643144.db2.gz RZXZJWHECNIAPV-KBAYOESNSA-N 0 1 484.648 1.201 20 0 JDADMN C[C@@H]1COCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](c1ccsc1)N(C)C ZINC001494580602 1070643185 /nfs/dbraw/zinc/64/31/85/1070643185.db2.gz RZXZJWHECNIAPV-NXHRZFHOSA-N 0 1 484.648 1.201 20 0 JDADMN C[C@@H]1N(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(N(C)C)CCSC2)CCOC1(C)C ZINC001494643958 1070669715 /nfs/dbraw/zinc/66/97/15/1070669715.db2.gz UGSFJIQQJRDWLN-FTRWYGJKSA-N 0 1 457.666 1.621 20 0 JDADMN C[C@H]1OCC[C@]1(O)Cn1c(-c2ccccn2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 ZINC001494657746 1070681769 /nfs/dbraw/zinc/68/17/69/1070681769.db2.gz WRYGDWREEBUCKU-UTKZUKDTSA-N 0 1 484.523 1.971 20 0 JDADMN CCO[C@]1(c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CCN2CCCC[C@H]2CC)CCOC1 ZINC001502624564 1070705545 /nfs/dbraw/zinc/70/55/45/1070705545.db2.gz FUHKGEMTCHJVIA-XQBPLPMBSA-N 0 1 469.652 1.818 20 0 JDADMN CCO[C@@]1(c2nnc(N(C)Cc3ccc(S(C)(=O)=O)cc3)n2CCc2nc(C)n[nH]2)CCOC1 ZINC001502639089 1070716402 /nfs/dbraw/zinc/71/64/02/1070716402.db2.gz RZKAZAZQSBBUFX-QFIPXVFZSA-N 0 1 489.602 1.639 20 0 JDADMN CCO[C@@]1(c2nnc(N(C)Cc3ccc(S(C)(=O)=O)cc3)n2CCc2nnc(C)[nH]2)CCOC1 ZINC001502639089 1070716427 /nfs/dbraw/zinc/71/64/27/1070716427.db2.gz RZKAZAZQSBBUFX-QFIPXVFZSA-N 0 1 489.602 1.639 20 0 JDADMN CCO[C@@]1(c2nnc(N(C)Cc3cnn(C)c3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC001502641721 1070718116 /nfs/dbraw/zinc/71/81/16/1070718116.db2.gz YXPJSQSJVXANBB-YYDVJCTNSA-N 0 1 461.611 1.799 20 0 JDADMN CCC(=O)N[C@H]1CCCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCC(=O)NC)C1 ZINC001494728979 1070726923 /nfs/dbraw/zinc/72/69/23/1070726923.db2.gz QDESYFQDTXUHKY-NRFANRHFSA-N 0 1 496.660 1.274 20 0 JDADMN CCO[C@]1(c2nnc(N(CC)[C@H]3CCS(=O)(=O)C3)n2C[C@@H](C2CC2)N(C)C)CCOC1 ZINC001502658002 1070730855 /nfs/dbraw/zinc/73/08/55/1070730855.db2.gz DVLKNGAGKWSRLS-BBTUJRGHSA-N 0 1 455.625 1.284 20 0 JDADMN CCO[C@@]1(c2nnc(N3CCC(C(=O)NC)CC3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC001502668138 1070747425 /nfs/dbraw/zinc/74/74/25/1070747425.db2.gz BXAODFPDCZONLK-GLDPYIMESA-N 0 1 478.638 1.392 20 0 JDADMN CCO[C@]1(c2nnc(N3CC[C@H](C(=O)OC)C3)n2C[C@@H]2CN(CC(C)C)CCO2)CCOC1 ZINC001502670349 1070751625 /nfs/dbraw/zinc/75/16/25/1070751625.db2.gz JIWAUSUNARLCJU-SFYKDHMMSA-N 0 1 465.595 1.286 20 0 JDADMN CC[C@](C)(O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(=O)OC)CC1 ZINC001494834951 1070757111 /nfs/dbraw/zinc/75/71/11/1070757111.db2.gz QXISBGDAGIAKKS-VWLOTQADSA-N 0 1 485.633 1.692 20 0 JDADMN CC[C@@](C)(O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(=O)OC)CC1 ZINC001494834950 1070757468 /nfs/dbraw/zinc/75/74/68/1070757468.db2.gz QXISBGDAGIAKKS-RUZDIDTESA-N 0 1 485.633 1.692 20 0 JDADMN CCO[C@]1(c2nnc(N3CC[C@H](N4CCN(CC)CC4)C3)n2CCCC(=O)N(C)C)CCOC1 ZINC001502681885 1070775361 /nfs/dbraw/zinc/77/53/61/1070775361.db2.gz QMLVCQBNUHVENZ-GBXCKJPGSA-N 0 1 477.654 1.015 20 0 JDADMN CC[C@H](C)[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)C)CC1)OC ZINC001495015739 1070791765 /nfs/dbraw/zinc/79/17/65/1070791765.db2.gz QXXREBHMGLKLLS-OTWHNJEPSA-N 0 1 472.656 1.203 20 0 JDADMN COC1(C)CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCc3sccc3C2)C1 ZINC001504030763 1070792259 /nfs/dbraw/zinc/79/22/59/1070792259.db2.gz CKZLIGYLBHTINH-CQSZACIVSA-N 0 1 454.622 1.233 20 0 JDADMN COC1(C)CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2ccco2)N2CCCC2)C1 ZINC001504031547 1070793434 /nfs/dbraw/zinc/79/34/34/1070793434.db2.gz ISSGGPHGOQNJNX-HZPDHXFCSA-N 0 1 452.581 1.544 20 0 JDADMN COC1(C)CN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N2CCN(c3ccccc3)CC2)C1 ZINC001504032337 1070795268 /nfs/dbraw/zinc/79/52/68/1070795268.db2.gz WOOARGKSAYJWKA-LJQANCHMSA-N 0 1 455.607 1.852 20 0 JDADMN CCO[C@]1(c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@@H]2CN(CC(C)C)CCO2)CCOC1 ZINC001502691420 1070803177 /nfs/dbraw/zinc/80/31/77/1070803177.db2.gz UUSDSUBNUDOXJH-MZLICYQSSA-N 0 1 478.638 1.379 20 0 JDADMN CO[C@@]1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(Cc3ccccc3)C[C@H]2C)CCOC1 ZINC001504046027 1070803710 /nfs/dbraw/zinc/80/37/10/1070803710.db2.gz BDXJWUVZHLLYKT-DNVFCKCGSA-N 0 1 492.646 1.405 20 0 JDADMN CCO[C@]1(c2nnc(N3CCC[C@H](NC(C)=O)C3)n2CCCCN2CCOCC2)CCOC1 ZINC001502694130 1070807099 /nfs/dbraw/zinc/80/70/99/1070807099.db2.gz XQYPFNDFRLEOCB-NZQKXSOJSA-N 0 1 464.611 1.148 20 0 JDADMN CCO[C@]1(c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@@H](CC(C)C)N(C)C)CCOC1 ZINC001502695112 1070808471 /nfs/dbraw/zinc/80/84/71/1070808471.db2.gz JFKGGTIPTZRPFV-XQBPLPMBSA-N 0 1 471.668 1.920 20 0 JDADMN CCO[C@]1(c2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CCN(C)C(C)C)CCOC1 ZINC001502699666 1070810133 /nfs/dbraw/zinc/81/01/33/1070810133.db2.gz JJZLBHIBKVCTBX-WIYYLYMNSA-N 0 1 457.641 1.674 20 0 JDADMN CC[C@@H](C)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C[C@@H](c1ccco1)N(C)C ZINC001495664287 1070811801 /nfs/dbraw/zinc/81/18/01/1070811801.db2.gz HXUWTQXNKADQKB-MOPGFXCFSA-N 0 1 487.605 1.195 20 0 JDADMN CC[C@@H](C)c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1CCCCN1CCOCC1 ZINC001495667085 1070812804 /nfs/dbraw/zinc/81/28/04/1070812804.db2.gz SZDPSBWIQPHPRQ-HXUWFJFHSA-N 0 1 475.638 1.175 20 0 JDADMN CCO[C@]1(c2nnc(N3CCC[C@@H](CN4CCOCC4)C3)n2CC(=O)NC(C)C)CCOC1 ZINC001502708718 1070814463 /nfs/dbraw/zinc/81/44/63/1070814463.db2.gz WTZVEGOAQAUWFJ-WMZHIEFXSA-N 0 1 464.611 1.003 20 0 JDADMN 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